A0A087YL52_POEFO Loading...

PR domain containing 5

AlphaFold DB , UniProt , Accession A0A087YL52, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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	39.6	Very low	59.2	Low	225 Å²	225	106.7 Å²	106.7	100%	1.108	58%	0.58	S	S	*	*				0	103.4	0	-85.5	155.7	146.2	0	0	108.3	M3	M1-M3 PolarHBondContact O-N 3.02Å; M1-M3 VanDerWaalsContact O-N 3.17Å
2	T	33.8	Very low	61.6	Low	146 Å²	146	98.7 Å²	98.7	90%	0.896	54%	0.535	S	S	*	.			trans	-74.6	99.4	172.7	15.3	0	0	0	0	108.1	L4	T2-L4 PolarHBondContact O-N 3.2Å; T2-L4 VanDerWaalsContact O-N 3.14Å
3	M	45.8	Very low	63.6	Low	70 Å²	70	93.8 Å²	93.8	35%	0.345	51%	0.513	S	S	.	.			trans	-66	107.6	168.3	-71.6	-97.1	-88.5	0	0	107.3	M1 G5 M6 P78 F86	M1-M3 PolarHBondContact O-N 3.02Å; M1-M3 VanDerWaalsContact O-N 3.17Å; M3-G5 PolarHBondContact O-N 3.01Å; M3-M6 HydrophobicContact CB-CE 3.69Å; M3-M6 HydrophobicContact CE-CE 4.02Å; M3-M6 HydrophobicContact CG-CE 4.08Å; M3-M6 PolarHBondContact O-N 3.48Å; M3-P78 HydrophobicContact CE-CB 4.21Å; M3-P78 HydrophobicContact CE-CG 4.48Å; M3-F86 HydrophobicContact CE-CE1 4.48Å; M3-F86 HydrophobicContact CE-CZ 3.81Å
4	L	38	Very low	65.1	Low	183 Å²	183	90.9 Å²	90.9	96%	0.958	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	121.3	-176.2	-82.2	154.4	0	0	0	111.3	T2	T2-L4 PolarHBondContact O-N 3.2Å; T2-L4 VanDerWaalsContact O-N 3.14Å
5	G	48.6	Very low	66.5	Low	89 Å²	89	90.6 Å²	90.6	92%	0.918	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	0	170.6	0	0	0	0	0	117	M3	M3-G5 PolarHBondContact O-N 3.01Å
6	M	61.3	Low	67.7	Low	41 Å²	41	91 Å²	91	20%	0.202	50%	0.5	C	S	.	.			trans	-105.5	114.5	-178.1	-170.6	173.1	54.2	0	0	111.7	M3 L14 W83 F86	M3-M6 HydrophobicContact CB-CE 3.69Å; M3-M6 HydrophobicContact CE-CE 4.02Å; M3-M6 HydrophobicContact CG-CE 4.08Å; M3-M6 PolarHBondContact O-N 3.48Å; M6-L14 HydrophobicContact CE-CD1 4.13Å; M6-W83 HydrophobicContact SD-CB 4.44Å; M6-F86 HydrophobicContact CE-CE2 3.47Å; M6-F86 VanDerWaalsContact CE-CE2 3.47Å; M6-F86 HydrophobicContact CE-CZ 3.76Å; M6-F86 HydrophobicContact SD-CE2 3.74Å; M6-F86 HydrophobicContact SD-CZ 4.35Å
7	Y	67.6	Low	68.8	Low	161 Å²	161	86.4 Å²	86.4	63%	0.631	48%	0.476	S	S	*	.			trans	-83.8	113.8	174.4	177.9	-102.4	0	0	0	110.3	P9	Y7-P9 HydrophobicContact CD1-CG 4.41Å; Y7-P9 HydrophobicContact CE1-CB 4.2Å; Y7-P9 HydrophobicContact CE1-CG 4Å
8	V	76.9	Confident	69.4	Low	31 Å²	31	91.7 Å²	91.7	19%	0.188	49%	0.493	C	S	.	.			trans	-96.5	122.4	166.5	-176.3	0	0	0	0	106.8	F12 L14 L25 W83	V8-F12 HydrophobicContact CG1-CB 3.87Å; V8-L14 HydrophobicContact CG2-CD1 3.67Å; V8-L14 HydrophobicContact CG2-CG 4.02Å; V8-L25 HydrophobicContact CG1-CD1 4.31Å; V8-W83 HydrophobicContact CB-CB 4.46Å; V8-W83 HydrophobicContact CG2-CB 3.81Å; V8-W83 HydrophobicContact CG2-CG 4.49Å
9	P	77.6	Confident	69.7	Low	17 Å²	17	89.6 Å²	89.6	11%	0.11	48%	0.484	C	S	.	.			trans	-58.1	142.4	177.9	-24.2	32.7	0	0	0	111.6	Y7 R11 F12 W83	Y7-P9 HydrophobicContact CD1-CG 4.41Å; Y7-P9 HydrophobicContact CE1-CB 4.2Å; Y7-P9 HydrophobicContact CE1-CG 4Å; P9-R11 HydrophobicContact CB-CG 4.26Å; P9-R11 PolarHBondContact O-N 3.14Å; P9-F12 HydrophobicContact CB-CD2 4.21Å; P9-F12 HydrophobicContact CG-CD2 4.3Å; P9-F12 PolarHBondContact O-N 3.31Å; P9-W83 VanDerWaalsContact CD-CE2 3.41Å; P9-W83 HydrophobicContact CG-CZ2 3.78Å
10	D	80.4	Confident	69.8	Low	143 Å²	143	88.3 Å²	88.3	77%	0.765	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.4	-175.9	-59.5	-27.9	0	0	0	114.5	F12	D10-F12 PolarHBondContact O-N 2.58Å
11	R	81.4	Confident	69.8	Low	68 Å²	68	92.4 Å²	92.4	26%	0.257	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-2.9	174.3	77.6	-175.7	-145	-91.3	1	113.9	P9 A28 R29 E35	P9-R11 HydrophobicContact CB-CG 4.26Å; P9-R11 PolarHBondContact O-N 3.14Å; R11-A28 WeakPolarHBondContact O-CB 3.43Å; R11-A28 PolarHBondContact O-N 3.43Å; R11-R29 HydrophobicContact CB-CG 4.2Å; R11-E35 IonicContact NE-OE1 3.43Å
12	F	88.3	Confident	71.7	Confident	10 Å²	10	83.6 Å²	83.6	4%	0.044	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.2	176.7	-57.3	-65.1	0	0	0	111.4	V8 P9 D10 L25 Y26 T27 F37 W83 L121	V8-F12 HydrophobicContact CG1-CB 3.87Å; P9-F12 HydrophobicContact CB-CD2 4.21Å; P9-F12 HydrophobicContact CG-CD2 4.3Å; P9-F12 PolarHBondContact O-N 3.31Å; D10-F12 PolarHBondContact O-N 2.58Å; F12-L25 HydrophobicContact CB-CD1 3.86Å; F12-L25 HydrophobicContact CB-CG 4.43Å; F12-L25 HydrophobicContact CG-CD1 4.4Å; F12-Y26 CarbonylContact C-O 3.52Å; F12-Y26 VanDerWaalsContact CA-O 3.23Å; F12-Y26 WeakPolarHBondContact CA-O 3.33Å; F12-T27 HydrophobicContact CE1-CG2 4.38Å; F12-F37 HydrophobicContact CZ-CD1 4.27Å; F12-F37 HydrophobicContact CZ-CE1 4.1Å; F12-F37 HydrophobicContact CZ-CZ 4.41Å; F12-W83 HydrophobicContact CD2-CE3 4.17Å; F12-W83 AromaticContact CD2-CH2 3.69Å; F12-W83 HydrophobicContact CD2-CH2 3.69Å; F12-W83 HydrophobicContact CD2-CZ2 4.36Å; F12-W83 AromaticContact CD2-CZ3 3.56Å; F12-W83 HydrophobicContact CD2-CZ3 3.56Å; F12-W83 HydrophobicContact CE2-CE3 4.46Å; F12-W83 AromaticContact CE2-CH2 3.23Å; F12-W83 HydrophobicContact CE2-CH2 3.23Å; F12-W83 HydrophobicContact CE2-CZ2 4.1Å; F12-W83 AromaticContact CE2-CZ3 3.45Å; F12-W83 HydrophobicContact CE2-CZ3 3.45Å; F12-W83 VanDerWaalsContact CE2-CZ3 3.45Å; F12-W83 HydrophobicContact CG-CZ3 4.26Å; F12-W83 HydrophobicContact CZ-CH2 4.05Å; F12-W83 HydrophobicContact CZ-CZ3 4.12Å; F12-L121 HydrophobicContact CD1-CD1 4.02Å; F12-L121 HydrophobicContact CE1-CD1 3.66Å; F12-L121 HydrophobicContact CZ-CD1 4.43Å
13	S	87.4	Confident	74	Confident	35 Å²	35	79.1 Å²	79.1	25%	0.245	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.3	174.9	63.2	0	0	0	0	110.6	K15 Y26	S13-K15 WeakPolarHBondContact OG-CE 3.31Å; S13-Y26 PolarHBondContact N-O 3.48Å; S13-Y26 PolarHBondContact O-N 3.48Å
14	L	85.1	Confident	75.9	Confident	54 Å²	54	75.8 Å²	75.8	28%	0.283	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.3	174.8	-70.5	179.8	0	0	0	109	M6 V8 I23 G24 L25 F86	M6-L14 HydrophobicContact CE-CD1 4.13Å; V8-L14 HydrophobicContact CG2-CD1 3.67Å; V8-L14 HydrophobicContact CG2-CG 4.02Å; L14-I23 HydrophobicContact CB-CG2 3.62Å; L14-I23 HydrophobicContact CD1-CG2 4.33Å; L14-I23 HydrophobicContact CD2-CG2 3.87Å; L14-I23 HydrophobicContact CG-CG2 4.13Å; L14-G24 WeakPolarHBondContact CA-O 3.33Å; L14-L25 HydrophobicContact CD2-CB 4.37Å; L14-L25 HydrophobicContact CD2-CD1 3.61Å; L14-L25 HydrophobicContact CG-CD1 4.47Å; L14-F86 HydrophobicContact CD1-CD2 4.09Å; L14-F86 HydrophobicContact CD1-CE2 3.82Å; L14-F86 HydrophobicContact CD1-CZ 4.27Å; L14-F86 HydrophobicContact CD2-CB 3.89Å; L14-F86 HydrophobicContact CD2-CD2 3.51Å; L14-F86 HydrophobicContact CD2-CE2 4.11Å; L14-F86 HydrophobicContact CD2-CG 3.76Å; L14-F86 HydrophobicContact CG-CD2 4.49Å
15	K	86.4	Confident	78.4	Confident	86 Å²	86	67.1 Å²	67.1	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	171.6	-178.4	-60.9	-176.6	-179.9	-178.1	0	110.2	S13 S17 I23 G24 Y26 D118	S13-K15 WeakPolarHBondContact OG-CE 3.31Å; K15-S17 PolarHBondContact O-N 2.88Å; K15-I23 CarbonylContact O-C 3.59Å; K15-I23 VanDerWaalsContact O-CA 3.31Å; K15-I23 WeakPolarHBondContact O-CA 3.48Å; K15-G24 PolarHBondContact N-O 3.27Å; K15-G24 PolarHBondContact O-N 3.39Å; K15-Y26 HydrophobicContact CB-CD2 3.82Å; K15-Y26 HydrophobicContact CB-CE2 3.91Å; K15-Y26 HydrophobicContact CB-CG 4.43Å; K15-Y26 HydrophobicContact CD-CD1 4.26Å; K15-Y26 HydrophobicContact CD-CD2 4.3Å; K15-Y26 HydrophobicContact CD-CG 4.07Å; K15-Y26 HydrophobicContact CG-CD2 4.23Å; K15-Y26 HydrophobicContact CG-CG 4.42Å; K15-D118 VanDerWaalsContact NZ-CG 3.33Å; K15-D118 IonicContact NZ-OD1 2.77Å; K15-D118 PolarHBondContact NZ-OD1 2.81Å; K15-D118 IonicContact NZ-OD2 3.39Å; K15-D118 PolarHBondContact NZ-OD2 3.17Å
16	S	85.7	Confident	80.5	Confident	97 Å²	97	63.2 Å²	63.2	68%	0.678	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	126.2	169.4	-167.3	0	0	0	0	108.8
17	S	84.9	Confident	81.9	Confident	12 Å²	12	61.3 Å²	61.3	8%	0.084	32%	0.32	C	S	.	.			trans	-68.2	145.6	176	-179.5	0	0	0	0	109.9	K15 V19 Q20 G22 E120	K15-S17 PolarHBondContact O-N 2.88Å; S17-V19 PolarHBondContact OG-N 3.18Å; S17-V19 VanDerWaalsContact OG-N 3.15Å; S17-Q20 WeakPolarHBondContact CB-O 3.46Å; S17-Q20 PolarHBondContact OG-N 3.38Å; S17-G22 PolarHBondContact N-O 2.93Å; S17-E120 VanDerWaalsContact CB-OE1 3.23Å; S17-E120 WeakPolarHBondContact CB-OE1 3.39Å; S17-E120 PolarHBondContact OG-OE1 3.24Å
18	K	80.9	Confident	82.9	Confident	182 Å²	182	56.3 Å²	56.3	79%	0.791	31%	0.312	S	S	*	.	S	Bend	trans	-90.2	-12.6	171.7	-68.1	177.2	-176.3	175.7	0	112.6	E120	K18-E120 PolarHBondContact N-OE2 3.5Å
19	V	74.9	Confident	83.5	Confident	52 Å²	52	60.7 Å²	60.7	32%	0.315	33%	0.325	S	S	.	.	S	Bend	trans	-96.7	-31.2	-172.3	169.7	0	0	0	0	111.9	S17 P91 L122	S17-V19 PolarHBondContact OG-N 3.18Å; S17-V19 VanDerWaalsContact OG-N 3.15Å; V19-P91 HydrophobicContact CB-CG 4.29Å; V19-P91 HydrophobicContact CG1-CG 3.72Å; V19-P91 HydrophobicContact CG2-CG 3.79Å; V19-L122 HydrophobicContact CB-CD2 4.45Å; V19-L122 HydrophobicContact CG2-CD1 3.92Å; V19-L122 HydrophobicContact CG2-CD2 3.81Å
20	Q	70.7	Confident	84.2	Confident	64 Å²	64	65.7 Å²	65.7	30%	0.299	34%	0.341	S	S	.	.	S	Bend	trans	-151.7	163.5	179.6	60	171.5	7.6	0	0	112	S17 G22 H88	S17-Q20 WeakPolarHBondContact CB-O 3.46Å; S17-Q20 PolarHBondContact OG-N 3.38Å; Q20-G22 PolarHBondContact O-N 3.45Å; Q20-H88 PolarHBondContact NE2-CD2 2.83Å; Q20-H88 PolarHBondContact NE2-CE1 3.43Å; Q20-H88 PolarHBondContact NE2-ND1 2.87Å; Q20-H88 PolarHBondContact NE2-NE2 3.32Å; Q20-H88 VanDerWaalsContact NE2-NE2 3.17Å
21	D	69.9	Low	84.7	Confident	175 Å²	175	58.9 Å²	58.9	94%	0.936	31%	0.305	S	S	*	.	S	Bend	trans	-64.6	105.6	173.3	-72.2	-27.5	0	0	0	110.1
22	G	79.9	Confident	85.1	Confident	39 Å²	39	62.5 Å²	62.5	40%	0.402	32%	0.322	S	S	.	.	S	Bend	trans	153.3	-159.8	179.2	0	0	0	0	0	114.7	S17 Q20	S17-G22 PolarHBondContact N-O 2.93Å; Q20-G22 PolarHBondContact O-N 3.45Å
23	I	82.7	Confident	85.2	Confident	53 Å²	53	68.1 Å²	68.1	27%	0.272	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.6	-179.7	-60.7	177.8	0	0	0	109	L14 K15 F86 H88	L14-I23 HydrophobicContact CB-CG2 3.62Å; L14-I23 HydrophobicContact CD1-CG2 4.33Å; L14-I23 HydrophobicContact CD2-CG2 3.87Å; L14-I23 HydrophobicContact CG-CG2 4.13Å; K15-I23 CarbonylContact O-C 3.59Å; K15-I23 VanDerWaalsContact O-CA 3.31Å; K15-I23 WeakPolarHBondContact O-CA 3.48Å; I23-F86 HydrophobicContact CB-CD1 3.92Å; I23-F86 HydrophobicContact CB-CE1 3.98Å; I23-F86 HydrophobicContact CG2-CD1 4.01Å; I23-F86 HydrophobicContact CG2-CE1 4.17Å; I23-F86 HydrophobicContact CG2-CG 4.48Å; I23-F86 WeakPolarHBondContact O-CD1 3.35Å; I23-H88 PolarHBondContact O-NE2 3.12Å
24	G	84.9	Confident	84.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	160.7	172.8	0	0	0	0	0	112.1	L14 K15	L14-G24 WeakPolarHBondContact CA-O 3.33Å; K15-G24 PolarHBondContact N-O 3.27Å; K15-G24 PolarHBondContact O-N 3.39Å
25	L	90.8	Very high	85	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128	178.9	-171.3	73.5	0	0	0	111.3	V8 F12 L14 W83 L84 F86 V87 E120 L121	V8-L25 HydrophobicContact CG1-CD1 4.31Å; F12-L25 HydrophobicContact CB-CD1 3.86Å; F12-L25 HydrophobicContact CB-CG 4.43Å; F12-L25 HydrophobicContact CG-CD1 4.4Å; L14-L25 HydrophobicContact CD2-CB 4.37Å; L14-L25 HydrophobicContact CD2-CD1 3.61Å; L14-L25 HydrophobicContact CG-CD1 4.47Å; L25-W83 HydrophobicContact CD1-CE3 3.93Å; L25-W83 HydrophobicContact CD2-CE3 3.54Å; L25-W83 HydrophobicContact CD2-CZ3 3.54Å; L25-W83 HydrophobicContact CG-CE3 4.41Å; L25-L84 HydrophobicContact CD2-CD2 4.49Å; L25-F86 HydrophobicContact CB-CB 4.16Å; L25-F86 PolarHBondContact N-O 3.01Å; L25-V87 HydrophobicContact CB-CG2 4.48Å; L25-V87 HydrophobicContact CD2-CG2 3.82Å; L25-E120 CarbonylContact O-C 3.6Å; L25-E120 WeakPolarHBondContact O-CA 3.49Å; L25-L121 HydrophobicContact CD2-CD1 3.67Å; L25-L121 HydrophobicContact CG-CD1 4.18Å; L25-L121 PolarHBondContact O-N 3.36Å
26	Y	92.1	Very high	85	Confident	8 Å²	8	68.6 Å²	68.6	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.9	-175.8	-75.6	-110.5	0	0	0	111.3	F12 S13 K15 T119 E120	F12-Y26 CarbonylContact C-O 3.52Å; F12-Y26 VanDerWaalsContact CA-O 3.23Å; F12-Y26 WeakPolarHBondContact CA-O 3.33Å; S13-Y26 PolarHBondContact N-O 3.48Å; S13-Y26 PolarHBondContact O-N 3.48Å; K15-Y26 HydrophobicContact CB-CD2 3.82Å; K15-Y26 HydrophobicContact CB-CE2 3.91Å; K15-Y26 HydrophobicContact CB-CG 4.43Å; K15-Y26 HydrophobicContact CD-CD1 4.26Å; K15-Y26 HydrophobicContact CD-CD2 4.3Å; K15-Y26 HydrophobicContact CD-CG 4.07Å; K15-Y26 HydrophobicContact CG-CD2 4.23Å; K15-Y26 HydrophobicContact CG-CG 4.42Å; Y26-T119 WeakPolarHBondContact CA-O 3.35Å; Y26-E120 HydrophobicContact CD1-CB 4.24Å; Y26-E120 HydrophobicContact CD2-CB 4.34Å; Y26-E120 HydrophobicContact CD2-CG 4.2Å; Y26-E120 HydrophobicContact CE1-CB 3.77Å; Y26-E120 HydrophobicContact CE1-CG 4.49Å; Y26-E120 HydrophobicContact CE2-CB 3.84Å; Y26-E120 HydrophobicContact CE2-CG 3.63Å; Y26-E120 PolarHBondContact OH-OE2 2.75Å
27	T	91.7	Very high	85	Confident	1 Å²	1	64 Å²	64	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.1	176	60.2	0	0	0	0	111.3	F12 R29 V31 I115 E116 D118 T119 L121	F12-T27 HydrophobicContact CE1-CG2 4.38Å; T27-R29 WeakPolarHBondContact CB-O 3.2Å; T27-V31 HydrophobicContact CG2-CG2 3.82Å; T27-I115 HydrophobicContact CG2-CG2 4.22Å; T27-E116 PolarHBondContact OG1-O 3.12Å; T27-D118 WeakPolarHBondContact O-CA 3.48Å; T27-D118 PolarHBondContact O-N 3.49Å; T27-D118 PolarHBondContact OG1-N 3.32Å; T27-T119 PolarHBondContact N-O 3.28Å; T27-T119 VanDerWaalsContact N-O 3.11Å; T27-T119 PolarHBondContact OG1-N 2.91Å; T27-L121 HydrophobicContact CG2-CD1 4.28Å; T27-L121 HydrophobicContact CG2-CD2 3.63Å; T27-L121 HydrophobicContact CG2-CG 3.94Å
28	A	88	Confident	85	Confident	56 Å²	56	65.3 Å²	65.3	46%	0.463	34%	0.338	S	S	.	.	S	Bend	trans	-95.6	-8.7	171.8	0	0	0	0	0	112.7	R11	R11-A28 WeakPolarHBondContact O-CB 3.43Å; R11-A28 PolarHBondContact O-N 3.43Å
29	R	90.6	Very high	85.2	Confident	122 Å²	122	59.5 Å²	59.5	46%	0.46	32%	0.319	S	S	.	.	S	Bend	trans	-138.9	162.4	175.4	71.1	175.4	-166.2	167	3.2	109.6	R11 T27 V31 E35	R11-R29 HydrophobicContact CB-CG 4.2Å; T27-R29 WeakPolarHBondContact CB-O 3.2Å; R29-V31 PolarHBondContact O-N 3.32Å; R29-E35 IonicContact CZ-OE1 3.32Å; R29-E35 IonicContact NH2-OE1 2.83Å; R29-E35 PolarHBondContact NH2-OE1 3.37Å; R29-E35 IonicContact NH2-OE2 3.69Å
30	R	90.8	Very high	85.6	Confident	122 Å²	122	57.3 Å²	57.3	46%	0.46	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-60.5	128.8	169.7	-164	173.5	-169.4	-127.2	-15.5	110.3	D114 I115 E116	R30-D114 IonicContact CZ-OD2 3.05Å; R30-D114 IonicContact NH1-OD2 2.8Å; R30-D114 IonicContact NH2-OD2 3.58Å; R30-D114 PolarHBondContact NH2-OD2 2.81Å; R30-I115 WeakPolarHBondContact CA-O 3.25Å; R30-E116 IonicContact CZ-OE1 2.81Å; R30-E116 IonicContact NE-OE1 3.58Å; R30-E116 PolarHBondContact NE-OE1 3.47Å; R30-E116 IonicContact NE-OE2 3.96Å; R30-E116 IonicContact NH2-OE1 3.97Å; R30-E116 PolarHBondContact NH2-OE1 2.86Å
31	V	90.9	Very high	86.1	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-102.4	132.4	173.7	164.6	0	0	0	0	107.8	T27 R29 E35 F37 A111 D114 I115	T27-V31 HydrophobicContact CG2-CG2 3.82Å; R29-V31 PolarHBondContact O-N 3.32Å; V31-E35 HydrophobicContact CG1-CB 3.96Å; V31-F37 HydrophobicContact CB-CZ 4.45Å; V31-F37 HydrophobicContact CG1-CE2 4.2Å; V31-F37 HydrophobicContact CG1-CZ 3.55Å; V31-F37 HydrophobicContact CG2-CZ 4.03Å; V31-A111 HydrophobicContact CG1-CB 3.66Å; V31-D114 WeakPolarHBondContact O-CA 3.23Å; V31-I115 HydrophobicContact CB-CB 4.05Å; V31-I115 HydrophobicContact CB-CD1 4.39Å; V31-I115 HydrophobicContact CB-CG1 4.31Å; V31-I115 HydrophobicContact CG1-CD1 4.09Å; V31-I115 HydrophobicContact CG1-CG1 4.26Å; V31-I115 PolarHBondContact N-O 3.38Å; V31-I115 PolarHBondContact O-N 3.03Å
32	K	90.1	Very high	86.7	Confident	143 Å²	143	48.4 Å²	48.4	62%	0.622	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-86.1	148.2	178.9	-66.7	-173.4	178.7	-176	0	111	G34 E35 A111 D114	K32-G34 PolarHBondContact O-N 3.25Å; K32-E35 PolarHBondContact N-OE2 3.46Å; K32-E35 VanDerWaalsContact O-CB 3.27Å; K32-E35 WeakPolarHBondContact O-CB 3.38Å; K32-E35 PolarHBondContact O-N 2.82Å; K32-A111 WeakPolarHBondContact O-CB 3.36Å; K32-D114 WeakPolarHBondContact CA-OD1 3.36Å
33	K	89.9	Confident	86.8	Confident	129 Å²	129	49.9 Å²	49.9	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	131.2	167.8	-177	170.1	-171.3	133	0	110.8	V112 D113 D114	K33-V112 WeakPolarHBondContact CD-O 3.47Å; K33-V112 WeakPolarHBondContact CE-O 3.41Å; K33-V112 WeakPolarHBondContact CG-O 3.37Å; K33-V112 PolarHBondContact NZ-O 2.81Å; K33-D113 IonicContact NZ-OD1 3.35Å; K33-D113 PolarHBondContact NZ-OD1 3.05Å; K33-D114 PolarHBondContact N-OD1 3.39Å
34	G	81.5	Confident	86.9	Confident	43 Å²	43	53 Å²	53	44%	0.443	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	1.4	-178.5	0	0	0	0	0	115.5	K32 K36 L110 A111	K32-G34 PolarHBondContact O-N 3.25Å; G34-K36 PolarHBondContact O-N 2.76Å; G34-L110 WeakPolarHBondContact O-CD1 3.23Å; G34-A111 PolarHBondContact N-O 2.89Å
35	E	88.3	Confident	86.8	Confident	44 Å²	44	55.3 Å²	55.3	21%	0.206	29%	0.286	C	S	.	.			trans	-67.1	128.5	171.9	-162.3	173.9	152.9	0	0	110.1	R11 R29 V31 K32 F37 A111	R11-E35 IonicContact NE-OE1 3.43Å; R29-E35 IonicContact CZ-OE1 3.32Å; R29-E35 IonicContact NH2-OE1 2.83Å; R29-E35 PolarHBondContact NH2-OE1 3.37Å; R29-E35 IonicContact NH2-OE2 3.69Å; V31-E35 HydrophobicContact CG1-CB 3.96Å; K32-E35 PolarHBondContact N-OE2 3.46Å; K32-E35 VanDerWaalsContact O-CB 3.27Å; K32-E35 WeakPolarHBondContact O-CB 3.38Å; K32-E35 PolarHBondContact O-N 2.82Å; E35-F37 HydrophobicContact CB-CE1 4.15Å; E35-F37 HydrophobicContact CB-CZ 4.07Å; E35-F37 HydrophobicContact CG-CD1 4.46Å; E35-F37 HydrophobicContact CG-CE1 3.59Å; E35-F37 HydrophobicContact CG-CZ 4Å; E35-A111 PolarHBondContact O-N 3.17Å
36	K	86.9	Confident	86.4	Confident	97 Å²	97	59.4 Å²	59.4	42%	0.422	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.4	-176.6	-175.6	177	176.4	178.3	0	111.1	G34 D103 F108 Y109 L110	G34-K36 PolarHBondContact O-N 2.76Å; K36-D103 IonicContact NZ-OD2 2.7Å; K36-D103 PolarHBondContact NZ-OD2 3.46Å; K36-F108 HydrophobicContact CD-CB 4.34Å; K36-F108 HydrophobicContact CD-CD1 4.24Å; K36-F108 HydrophobicContact CD-CG 4.29Å; K36-F108 VanDerWaalsContact CE-CB 3.46Å; K36-F108 VanDerWaalsContact CE-CD2 3.44Å; K36-F108 HydrophobicContact CG-CB 4.04Å; K36-F108 HydrophobicContact CG-CD1 4.14Å; K36-F108 HydrophobicContact CG-CG 4.32Å; K36-Y109 CarbonylContact C-O 3.56Å; K36-Y109 WeakPolarHBondContact CA-O 3.38Å; K36-L110 HydrophobicContact CB-CD1 4.19Å
37	F	85.2	Confident	85.8	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.3	-179.1	-45.8	-51.1	0	0	0	111	F12 V31 E35 L84 L98 F108 Y109	F12-F37 HydrophobicContact CZ-CD1 4.27Å; F12-F37 HydrophobicContact CZ-CE1 4.1Å; F12-F37 HydrophobicContact CZ-CZ 4.41Å; V31-F37 HydrophobicContact CB-CZ 4.45Å; V31-F37 HydrophobicContact CG1-CE2 4.2Å; V31-F37 HydrophobicContact CG1-CZ 3.55Å; V31-F37 HydrophobicContact CG2-CZ 4.03Å; E35-F37 HydrophobicContact CB-CE1 4.15Å; E35-F37 HydrophobicContact CB-CZ 4.07Å; E35-F37 HydrophobicContact CG-CD1 4.46Å; E35-F37 HydrophobicContact CG-CE1 3.59Å; E35-F37 HydrophobicContact CG-CZ 4Å; F37-L84 HydrophobicContact CB-CD2 4.34Å; F37-L98 HydrophobicContact CD2-CD2 4.01Å; F37-L98 HydrophobicContact CE2-CD2 3.72Å; F37-F108 CarbonylContact O-C 3.31Å; F37-F108 VanDerWaalsContact O-CA 3.27Å; F37-F108 WeakPolarHBondContact O-CA 3.42Å; F37-F108 WeakPolarHBondContact O-CB 3.2Å; F37-F108 WeakPolarHBondContact O-CD1 3.5Å; F37-Y109 PolarHBondContact N-O 3.44Å; F37-Y109 PolarHBondContact O-N 3.04Å
38	G	83.8	Confident	85.1	Confident	39 Å²	39	66.9 Å²	66.9	40%	0.402	36%	0.36	S	S	.	.			trans	141	-165.1	177	0	0	0	0	0	113.6
39	P	85.2	Confident	84.4	Confident	60 Å²	60	69.5 Å²	69.5	39%	0.39	36%	0.363	S	S	.	.			cis	-70.1	151.5	-0.9	30.2	-35.5	0	0	0	112.6	N82 N106 I107 F108	P39-N82 PolarHBondContact O-ND2 3.17Å; P39-N106 HydrophobicContact CB-CB 3.93Å; P39-I107 CarbonylContact C-O 3.49Å; P39-I107 WeakPolarHBondContact CA-O 3.22Å; P39-F108 HydrophobicContact CB-CE1 4.04Å; P39-F108 HydrophobicContact CB-CZ 4.08Å
40	F	83.6	Confident	83.4	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.026	36%	0.355	C	S	.	.			trans	-64.6	136.9	164.8	-178.6	-89.5	0	0	0	108.9	W60 L73 A75 L84 R85 I107 Y109	F40-W60 AromaticContact CD1-CD1 3.83Å; F40-W60 HydrophobicContact CD1-CG 4.37Å; F40-W60 AromaticContact CE1-CD1 3.25Å; F40-W60 HydrophobicContact CE1-CG 4.13Å; F40-W60 AromaticContact CE1-NE1 3.83Å; F40-W60 AromaticContact CE2-CD1 3.97Å; F40-W60 AromaticContact CE2-NE1 3.65Å; F40-W60 AromaticContact CZ-CD1 3.31Å; F40-W60 HydrophobicContact CZ-CG 4.46Å; F40-W60 AromaticContact CZ-NE1 3.4Å; F40-L73 HydrophobicContact CD1-CB 4.35Å; F40-L73 HydrophobicContact CD1-CD1 4.15Å; F40-L73 HydrophobicContact CE1-CB 4.22Å; F40-A75 HydrophobicContact CE1-CB 3.92Å; F40-A75 HydrophobicContact CE2-CB 4.41Å; F40-A75 HydrophobicContact CZ-CB 3.42Å; F40-A75 VanDerWaalsContact CZ-CB 3.42Å; F40-L84 HydrophobicContact CD2-CB 3.82Å; F40-L84 HydrophobicContact CE2-CB 4.49Å; F40-R85 HydrophobicContact CE2-CB 4.31Å; F40-I107 HydrophobicContact CB-CB 4.06Å; F40-I107 HydrophobicContact CB-CG2 4.3Å; F40-I107 PolarHBondContact N-O 3.3Å; F40-Y109 HydrophobicContact CB-CE2 4.26Å; F40-Y109 AromaticContact CD2-CE2 3.86Å; F40-Y109 HydrophobicContact CD2-CE2 3.86Å; F40-Y109 WeakPolarHBondContact CD2-OH 3.49Å; F40-Y109 HydrophobicContact CG-CE2 4.5Å
41	A	81.2	Confident	82.4	Confident	37 Å²	37	65 Å²	65	31%	0.306	36%	0.356	S	S	.	.			trans	-122.2	144.4	-179.1	0	0	0	0	0	110.1	A81 N82	A41-A81 WeakPolarHBondContact O-CA 3.45Å; A41-A81 WeakPolarHBondContact O-CB 3.15Å; A41-N82 HydrophobicContact CB-CB 4.2Å; A41-N82 PolarHBondContact N-ND2 3.35Å
42	G	82.1	Confident	80.9	Confident	14 Å²	14	75.2 Å²	75.2	14%	0.144	40%	0.404	C	S	.	.			trans	-164.9	173.7	177	0	0	0	0	0	110.1	D74 H80	G42-D74 WeakPolarHBondContact CA-O 3.48Å; G42-H80 WeakPolarHBondContact CA-O 3.48Å; G42-H80 PolarHBondContact N-O 3.19Å
43	E	82.4	Confident	79.6	Confident	71 Å²	71	73.3 Å²	73.3	33%	0.332	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.4	172.5	-176.3	174.9	-159.3	0	0	109.7	K45 L73 D74 H80	E43-K45 HydrophobicContact CG-CG 4.48Å; E43-K45 PolarHBondContact O-N 3.32Å; E43-L73 WeakPolarHBondContact O-CA 3.33Å; E43-D74 PolarHBondContact N-O 2.65Å; E43-D74 PolarHBondContact O-N 3.45Å; E43-H80 HydrophobicContact CB-CB 3.99Å
44	K	84.8	Confident	78.4	Confident	117 Å²	117	68.4 Å²	68.4	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.3	174.9	-66.3	-168.3	178.3	-163.1	0	108.9	Y71 L73 E105	K44-Y71 HydrophobicContact CB-CD2 4.21Å; K44-Y71 HydrophobicContact CD-CD1 4.48Å; K44-Y71 HydrophobicContact CD-CD2 4.04Å; K44-Y71 HydrophobicContact CD-CE1 4.28Å; K44-Y71 HydrophobicContact CD-CE2 3.85Å; K44-Y71 HydrophobicContact CD-CG 4.36Å; K44-Y71 WeakPolarHBondContact CE-OH 3.42Å; K44-Y71 HydrophobicContact CG-CD2 3.85Å; K44-Y71 HydrophobicContact CG-CE2 3.86Å; K44-Y71 HydrophobicContact CG-CG 4.5Å; K44-Y71 PolarHBondContact NZ-OH 3.11Å; K44-Y71 VanDerWaalsContact NZ-OH 3.17Å; K44-L73 HydrophobicContact CG-CD2 3.91Å; K44-E105 IonicContact NZ-OE2 3.68Å; K44-E105 PolarHBondContact NZ-OE2 3.18Å
45	K	82.1	Confident	77.6	Confident	50 Å²	50	69 Å²	69	22%	0.217	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.2	173	-70.5	-172.7	172.8	173.4	0	111.1	E43 Y71 I72 D74	E43-K45 HydrophobicContact CG-CG 4.48Å; E43-K45 PolarHBondContact O-N 3.32Å; K45-Y71 CarbonylContact O-C 3.56Å; K45-Y71 WeakPolarHBondContact O-CA 3.35Å; K45-Y71 WeakPolarHBondContact O-CB 3.46Å; K45-I72 PolarHBondContact N-O 2.87Å; K45-I72 PolarHBondContact O-N 3.03Å; K45-D74 HydrophobicContact CD-CB 3.97Å; K45-D74 WeakPolarHBondContact CE-OD2 3.28Å; K45-D74 HydrophobicContact CG-CB 4.38Å; K45-D74 IonicContact NZ-OD2 2.68Å; K45-D74 PolarHBondContact NZ-OD2 2.68Å
46	L	83.9	Confident	76.6	Confident	85 Å²	85	71.8 Å²	71.8	45%	0.445	40%	0.404	S	S	.	.			trans	-80.6	149.6	171.3	-67.1	172.2	0	0	0	110.5	S48 E49	L46-S48 PolarHBondContact O-N 3.33Å; L46-S48 VanDerWaalsContact O-N 3.08Å; L46-E49 HydrophobicContact CB-CG 4.03Å; L46-E49 PolarHBondContact N-OE2 2.92Å; L46-E49 WeakPolarHBondContact O-CB 3.44Å; L46-E49 PolarHBondContact O-N 2.71Å
47	P	79.1	Confident	75.7	Confident	61 Å²	61	74.8 Å²	74.8	40%	0.396	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-56.6	-28	176.7	-26.1	35	0	0	0	113.9	E49 V69 I72	P47-E49 VanDerWaalsContact C-N 3.3Å; P47-E49 PolarHBondContact O-N 2.88Å; P47-V69 HydrophobicContact CG-CB 4.26Å; P47-V69 HydrophobicContact CG-CG1 3.83Å; P47-I72 HydrophobicContact CB-CD1 4.37Å; P47-I72 HydrophobicContact CG-CD1 4.41Å
48	S	76.1	Confident	75.1	Confident	105 Å²	105	76.2 Å²	76.2	73%	0.734	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-75.3	-13.6	176.7	52.5	0	0	0	0	114.6	L46	L46-S48 PolarHBondContact O-N 3.33Å; L46-S48 VanDerWaalsContact O-N 3.08Å
49	E	73	Confident	74.9	Confident	112 Å²	112	75.4 Å²	75.4	52%	0.523	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-93	-3.2	-179.6	-64.4	170.7	165.7	0	0	112.3	L46 P47	L46-E49 HydrophobicContact CB-CG 4.03Å; L46-E49 PolarHBondContact N-OE2 2.92Å; L46-E49 WeakPolarHBondContact O-CB 3.44Å; L46-E49 PolarHBondContact O-N 2.71Å; P47-E49 VanDerWaalsContact C-N 3.3Å; P47-E49 PolarHBondContact O-N 2.88Å
50	L	70.3	Confident	74.7	Confident	57 Å²	57	73.9 Å²	73.9	30%	0.298	39%	0.393	S	S	.	.			trans	-78	132.5	174.7	-64.5	-171.3	0	0	0	111	M59 I72	L50-M59 HydrophobicContact CD1-SD 4.38Å; L50-M59 HydrophobicContact CD2-CE 4.21Å; L50-M59 HydrophobicContact CD2-SD 3.73Å; L50-I72 HydrophobicContact CD1-CD1 3.28Å; L50-I72 HydrophobicContact CG-CD1 4.01Å
51	D	69.9	Low	74.8	Confident	92 Å²	92	77.9 Å²	77.9	49%	0.492	41%	0.412	S	S	.	.			trans	-102.1	166	171.2	60.7	39.6	0	0	0	111.3	S53 S54	D51-S53 PolarHBondContact O-N 3.49Å; D51-S53 VanDerWaalsContact OD1-C 3.24Å; D51-S53 VanDerWaalsContact OD1-CA 3.28Å; D51-S53 WeakPolarHBondContact OD1-CA 3.32Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 2.76Å; D51-S53 PolarHBondContact OD1-OG 3.23Å; D51-S53 PolarHBondContact OD2-OG 3.38Å; D51-S54 PolarHBondContact N-OG 2.84Å; D51-S54 WeakPolarHBondContact O-CB 3.28Å; D51-S54 PolarHBondContact O-N 3.35Å; D51-S54 PolarHBondContact O-OG 2.91Å; D51-S54 PolarHBondContact OD1-N 3.07Å; D51-S54 PolarHBondContact OD1-OG 3.37Å
52	E	60	Low	74.7	Confident	215 Å²	215	76.1 Å²	76.1	100%	1.005	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.2	175.9	-66.9	-172.8	168.3	0	0	113.4
53	S	63.3	Low	74.6	Confident	104 Å²	104	80.9 Å²	80.9	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-1.7	177.1	65.6	0	0	0	0	114.3	D51	D51-S53 PolarHBondContact O-N 3.49Å; D51-S53 VanDerWaalsContact OD1-C 3.24Å; D51-S53 VanDerWaalsContact OD1-CA 3.28Å; D51-S53 WeakPolarHBondContact OD1-CA 3.32Å; D51-S53 WeakPolarHBondContact OD1-CB 3.48Å; D51-S53 PolarHBondContact OD1-N 2.76Å; D51-S53 PolarHBondContact OD1-OG 3.23Å; D51-S53 PolarHBondContact OD2-OG 3.38Å
54	S	62.9	Low	74.1	Confident	26 Å²	26	78.3 Å²	78.3	18%	0.182	40%	0.403	C	S	.	.	S	Bend	trans	-74.7	128.4	-175	-70	0	0	0	0	111.4	D51 T56	D51-S54 PolarHBondContact N-OG 2.84Å; D51-S54 WeakPolarHBondContact O-CB 3.28Å; D51-S54 PolarHBondContact O-N 3.35Å; D51-S54 PolarHBondContact O-OG 2.91Å; D51-S54 PolarHBondContact OD1-N 3.07Å; D51-S54 PolarHBondContact OD1-OG 3.37Å; S54-T56 PolarHBondContact O-N 3.1Å
55	D	65.9	Low	73.3	Confident	54 Å²	54	79 Å²	79	29%	0.289	42%	0.423	S	S	.	.			trans	-75	93.5	179.3	-169.6	-7.6	0	0	0	111	R57 L58 M59	D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 VanDerWaalsContact O-N 3.1Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.4Å; D55-R57 VanDerWaalsContact OD1-CG 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.44Å; D55-R57 IonicContact OD1-CZ 3.95Å; D55-R57 PolarHBondContact OD1-N 2.87Å; D55-R57 VanDerWaalsContact OD1-N 3.15Å; D55-R57 IonicContact OD1-NE 3.87Å; D55-R57 PolarHBondContact OD1-NE 3.07Å; D55-R57 IonicContact OD1-NH2 2.72Å; D55-R57 IonicContact OD2-CZ 2.6Å; D55-R57 IonicContact OD2-NE 2.86Å; D55-R57 PolarHBondContact OD2-NE 3.02Å; D55-R57 IonicContact OD2-NH2 2.71Å; D55-R57 PolarHBondContact OD2-NH2 3.39Å; D55-L58 PolarHBondContact O-N 2.74Å; D55-M59 WeakPolarHBondContact O-CG 3.09Å
56	T	67.1	Low	72.8	Confident	103 Å²	103	84.8 Å²	84.8	63%	0.632	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-65.2	-12.7	-177.5	56.8	0	0	0	0	113.6	S54 L58 M59	S54-T56 PolarHBondContact O-N 3.1Å; T56-L58 VanDerWaalsContact C-N 3.25Å; T56-L58 PolarHBondContact O-N 3.42Å; T56-M59 PolarHBondContact O-N 2.84Å
57	R	67	Low	72.1	Confident	161 Å²	161	82.5 Å²	82.5	61%	0.608	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24.2	-179.1	-60.7	177	-66.1	171	0.2	113.4	D55	D55-R57 PolarHBondContact O-N 3.22Å; D55-R57 VanDerWaalsContact O-N 3.1Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.4Å; D55-R57 VanDerWaalsContact OD1-CG 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.44Å; D55-R57 IonicContact OD1-CZ 3.95Å; D55-R57 PolarHBondContact OD1-N 2.87Å; D55-R57 VanDerWaalsContact OD1-N 3.15Å; D55-R57 IonicContact OD1-NE 3.87Å; D55-R57 PolarHBondContact OD1-NE 3.07Å; D55-R57 IonicContact OD1-NH2 2.72Å; D55-R57 IonicContact OD2-CZ 2.6Å; D55-R57 IonicContact OD2-NE 2.86Å; D55-R57 PolarHBondContact OD2-NE 3.02Å; D55-R57 IonicContact OD2-NH2 2.71Å; D55-R57 PolarHBondContact OD2-NH2 3.39Å
58	L	72.4	Confident	72	Confident	32 Å²	32	83.1 Å²	83.1	17%	0.168	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-109.2	19.8	178.7	-62.5	179.8	0	0	0	112.1	D55 T56 A75	D55-L58 PolarHBondContact O-N 2.74Å; T56-L58 VanDerWaalsContact C-N 3.25Å; T56-L58 PolarHBondContact O-N 3.42Å; L58-A75 HydrophobicContact CB-CB 4.28Å; L58-A75 WeakPolarHBondContact O-CB 3.41Å; L58-A75 PolarHBondContact O-N 3.4Å
59	M	80.7	Confident	72.3	Confident	22 Å²	22	80.1 Å²	80.1	11%	0.108	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.5	-176.1	-64	-171.1	-176.1	0	0	111.4	L50 D55 T56 I72 L73 D74	L50-M59 HydrophobicContact CD1-SD 4.38Å; L50-M59 HydrophobicContact CD2-CE 4.21Å; L50-M59 HydrophobicContact CD2-SD 3.73Å; D55-M59 WeakPolarHBondContact O-CG 3.09Å; T56-M59 PolarHBondContact O-N 2.84Å; M59-I72 HydrophobicContact CB-CG2 3.76Å; M59-I72 HydrophobicContact CG-CG2 4.27Å; M59-I72 HydrophobicContact SD-CG2 4.37Å; M59-L73 WeakPolarHBondContact CA-O 3.3Å; M59-D74 HydrophobicContact CE-CB 4.4Å; M59-D74 HydrophobicContact CG-CB 4.44Å
60	W	80.7	Confident	72.6	Confident	28 Å²	28	78 Å²	78	11%	0.106	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.7	178.9	-65.9	83.6	0	0	0	110.8	F40 V62 I72 L73 A100 I107 Y109 I123 Y125	F40-W60 AromaticContact CD1-CD1 3.83Å; F40-W60 HydrophobicContact CD1-CG 4.37Å; F40-W60 AromaticContact CE1-CD1 3.25Å; F40-W60 HydrophobicContact CE1-CG 4.13Å; F40-W60 AromaticContact CE1-NE1 3.83Å; F40-W60 AromaticContact CE2-CD1 3.97Å; F40-W60 AromaticContact CE2-NE1 3.65Å; F40-W60 AromaticContact CZ-CD1 3.31Å; F40-W60 HydrophobicContact CZ-CG 4.46Å; F40-W60 AromaticContact CZ-NE1 3.4Å; W60-V62 PolarHBondContact O-N 2.83Å; W60-I72 CarbonylContact O-C 3.58Å; W60-I72 VanDerWaalsContact O-CA 3.3Å; W60-I72 WeakPolarHBondContact O-CA 3.25Å; W60-L73 HydrophobicContact CB-CB 4.36Å; W60-L73 PolarHBondContact N-O 3Å; W60-L73 PolarHBondContact O-N 3.15Å; W60-A100 HydrophobicContact CE3-CB 4.35Å; W60-A100 HydrophobicContact CH2-CB 4.08Å; W60-A100 HydrophobicContact CZ3-CB 3.58Å; W60-I107 HydrophobicContact CB-CG1 4.28Å; W60-I107 HydrophobicContact CD2-CG2 4.41Å; W60-I107 HydrophobicContact CE3-CG2 4.2Å; W60-Y109 HydrophobicContact CH2-CE1 4.43Å; W60-Y109 HydrophobicContact CZ2-CE1 4.26Å; W60-Y109 WeakPolarHBondContact CZ2-OH 3.31Å; W60-I123 HydrophobicContact CH2-CD1 3.42Å; W60-I123 VanDerWaalsContact CH2-CD1 3.42Å; W60-I123 HydrophobicContact CH2-CG1 4.47Å; W60-I123 HydrophobicContact CH2-CG2 4.45Å; W60-I123 HydrophobicContact CZ2-CD1 4.24Å; W60-I123 HydrophobicContact CZ3-CD1 4.06Å; W60-Y125 AromaticContact CH2-CE1 3.88Å; W60-Y125 HydrophobicContact CH2-CE1 3.88Å; W60-Y125 HydrophobicContact CZ3-CE1 4.01Å
61	E	84.9	Confident	73.3	Confident	90 Å²	90	76.4 Å²	76.4	42%	0.421	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.9	172.3	-65.5	-177.8	163.1	0	0	110.2	R63 V69 I72	E61-R63 IonicContact OE2-CZ 3.61Å; E61-R63 VanDerWaalsContact OE2-CZ 3.24Å; E61-R63 IonicContact OE2-NE 2.85Å; E61-R63 PolarHBondContact OE2-NE 3.32Å; E61-R63 VanDerWaalsContact OE2-NE 3.12Å; E61-R63 IonicContact OE2-NH2 2.76Å; E61-R63 PolarHBondContact OE2-NH2 2.63Å; E61-V69 HydrophobicContact CB-CG1 4.01Å; E61-V69 HydrophobicContact CB-CG2 4.24Å; E61-V69 HydrophobicContact CG-CG1 4.1Å; E61-V69 HydrophobicContact CG-CG2 4.27Å; E61-I72 HydrophobicContact CG-CG1 4.3Å
62	V	79.9	Confident	74	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.3	170.3	-180	0	0	0	0	107.6	W60 L70 Y71 L73 Q102 E105 I107	W60-V62 PolarHBondContact O-N 2.83Å; V62-L70 PolarHBondContact O-N 2.72Å; V62-Y71 HydrophobicContact CB-CD2 4.04Å; V62-Y71 HydrophobicContact CB-CE1 4.31Å; V62-Y71 HydrophobicContact CB-CE2 3.73Å; V62-Y71 HydrophobicContact CB-CG 4.44Å; V62-Y71 HydrophobicContact CG1-CE1 4.04Å; V62-Y71 HydrophobicContact CG1-CE2 4.09Å; V62-Y71 HydrophobicContact CG2-CD2 4.02Å; V62-Y71 HydrophobicContact CG2-CE2 3.48Å; V62-Y71 VanDerWaalsContact CG2-CE2 3.48Å; V62-Y71 PolarHBondContact N-O 2.83Å; V62-L73 HydrophobicContact CG2-CD1 3.85Å; V62-L73 HydrophobicContact CG2-CG 3.94Å; V62-Q102 VanDerWaalsContact CG1-NE2 3.33Å; V62-E105 WeakPolarHBondContact CG1-O 3.39Å; V62-I107 HydrophobicContact CG2-CD1 4.41Å; V62-I107 HydrophobicContact CG2-CG1 4.21Å
63	R	79.6	Confident	75.1	Confident	113 Å²	113	62.6 Å²	62.6	43%	0.426	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.3	-176.6	-66.8	174.5	174.4	-106.6	6.3	112.8	E61 G67 D68 V69 Q102	E61-R63 IonicContact OE2-CZ 3.61Å; E61-R63 VanDerWaalsContact OE2-CZ 3.24Å; E61-R63 IonicContact OE2-NE 2.85Å; E61-R63 PolarHBondContact OE2-NE 3.32Å; E61-R63 VanDerWaalsContact OE2-NE 3.12Å; E61-R63 IonicContact OE2-NH2 2.76Å; E61-R63 PolarHBondContact OE2-NH2 2.63Å; R63-G67 PolarHBondContact NH1-O 2.79Å; R63-D68 CarbonylContact C-O 3.56Å; R63-D68 WeakPolarHBondContact CA-O 3.43Å; R63-V69 HydrophobicContact CG-CG2 4.06Å; R63-Q102 PolarHBondContact O-NE2 3.03Å
64	G	71.9	Confident	76.1	Confident	18 Å²	18	58 Å²	58	19%	0.186	31%	0.305	C	S	.	.			trans	-68.1	173.4	173.1	0	0	0	0	0	111.8	K66 G67 D68	G64-K66 PolarHBondContact O-N 2.85Å; G64-G67 PolarHBondContact O-N 3.08Å; G64-D68 PolarHBondContact N-O 3.1Å
65	S	69	Low	76.9	Confident	132 Å²	132	56.8 Å²	56.8	92%	0.923	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.3	174.2	55	0	0	0	0	113.6
66	K	70.6	Confident	77.4	Confident	170 Å²	170	56.7 Å²	56.7	74%	0.739	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.7	176.2	-58.4	176.4	-179.4	176.3	0	112.8	G64 D68	G64-K66 PolarHBondContact O-N 2.85Å; K66-D68 VanDerWaalsContact C-N 3.26Å; K66-D68 WeakPolarHBondContact CB-OD1 3.44Å; K66-D68 PolarHBondContact O-N 3.44Å
67	G	69.5	Low	77.7	Confident	37 Å²	37	54.6 Å²	54.6	38%	0.381	28%	0.284	S	S	.	.	S	Bend	trans	81.4	-0.8	177.6	0	0	0	0	0	115	R63 G64	R63-G67 PolarHBondContact NH1-O 2.79Å; G64-G67 PolarHBondContact O-N 3.08Å
68	D	78.1	Confident	77.8	Confident	75 Å²	75	49.7 Å²	49.7	40%	0.401	27%	0.274	S	S	.	.			trans	-68.8	136.1	172.6	55.1	-53.2	0	0	0	111	R63 G64 K66 L70	R63-D68 CarbonylContact C-O 3.56Å; R63-D68 WeakPolarHBondContact CA-O 3.43Å; G64-D68 PolarHBondContact N-O 3.1Å; K66-D68 VanDerWaalsContact C-N 3.26Å; K66-D68 WeakPolarHBondContact CB-OD1 3.44Å; K66-D68 PolarHBondContact O-N 3.44Å; D68-L70 PolarHBondContact O-N 3.32Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.45Å
69	V	81	Confident	77.6	Confident	41 Å²	41	59.1 Å²	59.1	25%	0.248	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	111.5	174.3	-177.1	0	0	0	0	108	P47 E61 R63 I72	P47-V69 HydrophobicContact CG-CB 4.26Å; P47-V69 HydrophobicContact CG-CG1 3.83Å; E61-V69 HydrophobicContact CB-CG1 4.01Å; E61-V69 HydrophobicContact CB-CG2 4.24Å; E61-V69 HydrophobicContact CG-CG1 4.1Å; E61-V69 HydrophobicContact CG-CG2 4.27Å; R63-V69 HydrophobicContact CG-CG2 4.06Å; V69-I72 HydrophobicContact CG1-CG1 4.08Å
70	L	80.8	Confident	77.2	Confident	69 Å²	69	62.6 Å²	62.6	36%	0.361	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-49.6	179.8	-63.6	175.8	0	0	0	110.6	V62 D68	V62-L70 PolarHBondContact O-N 2.72Å; D68-L70 PolarHBondContact O-N 3.32Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.45Å
71	Y	83.9	Confident	77	Confident	22 Å²	22	61.7 Å²	61.7	9%	0.086	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	169	177	58.9	-95.3	0	0	0	109.6	K44 K45 V62 L73 E105	K44-Y71 HydrophobicContact CB-CD2 4.21Å; K44-Y71 HydrophobicContact CD-CD1 4.48Å; K44-Y71 HydrophobicContact CD-CD2 4.04Å; K44-Y71 HydrophobicContact CD-CE1 4.28Å; K44-Y71 HydrophobicContact CD-CE2 3.85Å; K44-Y71 HydrophobicContact CD-CG 4.36Å; K44-Y71 WeakPolarHBondContact CE-OH 3.42Å; K44-Y71 HydrophobicContact CG-CD2 3.85Å; K44-Y71 HydrophobicContact CG-CE2 3.86Å; K44-Y71 HydrophobicContact CG-CG 4.5Å; K44-Y71 PolarHBondContact NZ-OH 3.11Å; K44-Y71 VanDerWaalsContact NZ-OH 3.17Å; K45-Y71 CarbonylContact O-C 3.56Å; K45-Y71 WeakPolarHBondContact O-CA 3.35Å; K45-Y71 WeakPolarHBondContact O-CB 3.46Å; V62-Y71 HydrophobicContact CB-CD2 4.04Å; V62-Y71 HydrophobicContact CB-CE1 4.31Å; V62-Y71 HydrophobicContact CB-CE2 3.73Å; V62-Y71 HydrophobicContact CB-CG 4.44Å; V62-Y71 HydrophobicContact CG1-CE1 4.04Å; V62-Y71 HydrophobicContact CG1-CE2 4.09Å; V62-Y71 HydrophobicContact CG2-CD2 4.02Å; V62-Y71 HydrophobicContact CG2-CE2 3.48Å; V62-Y71 VanDerWaalsContact CG2-CE2 3.48Å; V62-Y71 PolarHBondContact N-O 2.83Å; Y71-L73 HydrophobicContact CD2-CD2 4.24Å; Y71-L73 HydrophobicContact CD2-CG 4.3Å; Y71-L73 HydrophobicContact CE2-CD2 3.76Å; Y71-L73 HydrophobicContact CE2-CG 3.87Å; Y71-E105 HydrophobicContact CE1-CG 4.28Å; Y71-E105 WeakPolarHBondContact OH-CB 3.47Å; Y71-E105 PolarHBondContact OH-O 3.29Å
72	I	85.2	Confident	76.8	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.2	178.4	-61.3	176.7	0	0	0	107.5	K45 P47 L50 M59 W60 E61 V69	K45-I72 PolarHBondContact N-O 2.87Å; K45-I72 PolarHBondContact O-N 3.03Å; P47-I72 HydrophobicContact CB-CD1 4.37Å; P47-I72 HydrophobicContact CG-CD1 4.41Å; L50-I72 HydrophobicContact CD1-CD1 3.28Å; L50-I72 HydrophobicContact CG-CD1 4.01Å; M59-I72 HydrophobicContact CB-CG2 3.76Å; M59-I72 HydrophobicContact CG-CG2 4.27Å; M59-I72 HydrophobicContact SD-CG2 4.37Å; W60-I72 CarbonylContact O-C 3.58Å; W60-I72 VanDerWaalsContact O-CA 3.3Å; W60-I72 WeakPolarHBondContact O-CA 3.25Å; E61-I72 HydrophobicContact CG-CG1 4.3Å; V69-I72 HydrophobicContact CG1-CG1 4.08Å
73	L	82.6	Confident	76.9	Confident	10 Å²	10	60.7 Å²	60.7	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.3	169.7	-69.3	173.4	0	0	0	108.4	F40 E43 K44 M59 W60 V62 Y71 I107	F40-L73 HydrophobicContact CD1-CB 4.35Å; F40-L73 HydrophobicContact CD1-CD1 4.15Å; F40-L73 HydrophobicContact CE1-CB 4.22Å; E43-L73 WeakPolarHBondContact O-CA 3.33Å; K44-L73 HydrophobicContact CG-CD2 3.91Å; M59-L73 WeakPolarHBondContact CA-O 3.3Å; W60-L73 HydrophobicContact CB-CB 4.36Å; W60-L73 PolarHBondContact N-O 3Å; W60-L73 PolarHBondContact O-N 3.15Å; V62-L73 HydrophobicContact CG2-CD1 3.85Å; V62-L73 HydrophobicContact CG2-CG 3.94Å; Y71-L73 HydrophobicContact CD2-CD2 4.24Å; Y71-L73 HydrophobicContact CD2-CG 4.3Å; Y71-L73 HydrophobicContact CE2-CD2 3.76Å; Y71-L73 HydrophobicContact CE2-CG 3.87Å; L73-I107 HydrophobicContact CD1-CG1 4.39Å
74	D	83.6	Confident	77.3	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.9	176.1	-177.5	-1.9	0	0	0	110.3	G42 E43 K45 M59 S76	G42-D74 WeakPolarHBondContact CA-O 3.48Å; E43-D74 PolarHBondContact N-O 2.65Å; E43-D74 PolarHBondContact O-N 3.45Å; K45-D74 HydrophobicContact CD-CB 3.97Å; K45-D74 WeakPolarHBondContact CE-OD2 3.28Å; K45-D74 HydrophobicContact CG-CB 4.38Å; K45-D74 IonicContact NZ-OD2 2.68Å; K45-D74 PolarHBondContact NZ-OD2 2.68Å; M59-D74 HydrophobicContact CE-CB 4.4Å; M59-D74 HydrophobicContact CG-CB 4.44Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.48Å; D74-S76 PolarHBondContact OD1-OG 3.2Å
75	A	79.8	Confident	77.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.			trans	-101.4	14.2	178.4	0	0	0	0	0	114.3	F40 L58 N77 A81 R85	F40-A75 HydrophobicContact CE1-CB 3.92Å; F40-A75 HydrophobicContact CE2-CB 4.41Å; F40-A75 HydrophobicContact CZ-CB 3.42Å; F40-A75 VanDerWaalsContact CZ-CB 3.42Å; L58-A75 HydrophobicContact CB-CB 4.28Å; L58-A75 WeakPolarHBondContact O-CB 3.41Å; L58-A75 PolarHBondContact O-N 3.4Å; A75-N77 PolarHBondContact O-N 3.42Å; A75-A81 HydrophobicContact CB-CB 3.6Å; A75-R85 HydrophobicContact CB-CB 3.83Å
76	S	76.9	Confident	78.7	Confident	52 Å²	52	49.8 Å²	49.8	36%	0.364	25%	0.25	S	S	.	.	S	Bend	trans	-62.7	-30	176.3	-52.8	0	0	0	0	112.2	D74 P78	D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.48Å; D74-S76 PolarHBondContact OD1-OG 3.2Å; S76-P78 WeakPolarHBondContact O-CD 3.49Å
77	N	74.1	Confident	79.5	Confident	59 Å²	59	42.2 Å²	42.2	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-95	112.3	176.4	-171	-20.1	0	0	0	111.5	A75 R79 H80 A81	A75-N77 PolarHBondContact O-N 3.42Å; N77-R79 PolarHBondContact O-N 3.25Å; N77-R79 WeakPolarHBondContact OD1-CB 3.39Å; N77-R79 PolarHBondContact OD1-N 3.25Å; N77-H80 PolarHBondContact ND2-CD2 3.02Å; N77-H80 VanDerWaalsContact ND2-CD2 3.33Å; N77-H80 PolarHBondContact O-N 3.33Å; N77-H80 VanDerWaalsContact O-N 3.1Å; N77-A81 PolarHBondContact O-N 3.4Å
78	P	68	Low	80.2	Confident	59 Å²	59	41 Å²	41	38%	0.383	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.7	-178	-22.5	34	0	0	0	115.1	M3 S76	M3-P78 HydrophobicContact CE-CB 4.21Å; M3-P78 HydrophobicContact CE-CG 4.48Å; S76-P78 WeakPolarHBondContact O-CD 3.49Å
79	R	69.4	Low	80.4	Confident	230 Å²	230	43 Å²	43	87%	0.868	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.4	177.5	-67.5	-173.4	174.3	-163.9	-0.5	113.4	N77	N77-R79 PolarHBondContact O-N 3.25Å; N77-R79 WeakPolarHBondContact OD1-CB 3.39Å; N77-R79 PolarHBondContact OD1-N 3.25Å
80	H	70.8	Confident	80.6	Confident	94 Å²	94	41.6 Å²	41.6	44%	0.435	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-12.9	-176.3	-61.8	-101.1	0	0	0	112.1	G42 E43 N77	G42-H80 WeakPolarHBondContact CA-O 3.48Å; G42-H80 PolarHBondContact N-O 3.19Å; E43-H80 HydrophobicContact CB-CB 3.99Å; N77-H80 PolarHBondContact ND2-CD2 3.02Å; N77-H80 VanDerWaalsContact ND2-CD2 3.33Å; N77-H80 PolarHBondContact O-N 3.33Å; N77-H80 VanDerWaalsContact O-N 3.1Å
81	A	76.6	Confident	80.6	Confident	10 Å²	10	42.4 Å²	42.4	8%	0.083	21%	0.211	C	C	.	.			trans	-110	146.5	-176.3	0	0	0	0	0	112.7	A41 A75 N77 R85	A41-A81 WeakPolarHBondContact O-CA 3.45Å; A41-A81 WeakPolarHBondContact O-CB 3.15Å; A75-A81 HydrophobicContact CB-CB 3.6Å; N77-A81 PolarHBondContact O-N 3.4Å; A81-R85 HydrophobicContact CB-CB 4.15Å; A81-R85 HydrophobicContact CB-CG 4.39Å
82	N	82.6	Confident	80.4	Confident	38 Å²	38	43.4 Å²	43.4	20%	0.203	22%	0.221	C	C	.	.			trans	-88	179.6	174.7	69	18.4	0	0	0	111.3	P39 A41 L84 R85	P39-N82 PolarHBondContact O-ND2 3.17Å; A41-N82 HydrophobicContact CB-CB 4.2Å; A41-N82 PolarHBondContact N-ND2 3.35Å; N82-L84 PolarHBondContact O-N 3.45Å; N82-L84 VanDerWaalsContact OD1-CB 3.26Å; N82-L84 WeakPolarHBondContact OD1-CB 3.46Å; N82-L84 PolarHBondContact OD1-N 2.86Å; N82-R85 WeakPolarHBondContact O-CB 3.4Å; N82-R85 VanDerWaalsContact O-CG 3.23Å; N82-R85 WeakPolarHBondContact O-CG 3.23Å; N82-R85 PolarHBondContact O-N 3.14Å; N82-R85 VanDerWaalsContact O-N 3.15Å
83	W	81.9	Confident	79.9	Confident	30 Å²	30	44.9 Å²	44.9	11%	0.114	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62.3	-9.7	-179.2	56.3	-90.3	0	0	0	114.8	M6 V8 P9 F12 L25 R85 F86	M6-W83 HydrophobicContact SD-CB 4.44Å; V8-W83 HydrophobicContact CB-CB 4.46Å; V8-W83 HydrophobicContact CG2-CB 3.81Å; V8-W83 HydrophobicContact CG2-CG 4.49Å; P9-W83 VanDerWaalsContact CD-CE2 3.41Å; P9-W83 HydrophobicContact CG-CZ2 3.78Å; F12-W83 HydrophobicContact CD2-CE3 4.17Å; F12-W83 AromaticContact CD2-CH2 3.69Å; F12-W83 HydrophobicContact CD2-CH2 3.69Å; F12-W83 HydrophobicContact CD2-CZ2 4.36Å; F12-W83 AromaticContact CD2-CZ3 3.56Å; F12-W83 HydrophobicContact CD2-CZ3 3.56Å; F12-W83 HydrophobicContact CE2-CE3 4.46Å; F12-W83 AromaticContact CE2-CH2 3.23Å; F12-W83 HydrophobicContact CE2-CH2 3.23Å; F12-W83 HydrophobicContact CE2-CZ2 4.1Å; F12-W83 AromaticContact CE2-CZ3 3.45Å; F12-W83 HydrophobicContact CE2-CZ3 3.45Å; F12-W83 VanDerWaalsContact CE2-CZ3 3.45Å; F12-W83 HydrophobicContact CG-CZ3 4.26Å; F12-W83 HydrophobicContact CZ-CH2 4.05Å; F12-W83 HydrophobicContact CZ-CZ3 4.12Å; L25-W83 HydrophobicContact CD1-CE3 3.93Å; L25-W83 HydrophobicContact CD2-CE3 3.54Å; L25-W83 HydrophobicContact CD2-CZ3 3.54Å; L25-W83 HydrophobicContact CG-CE3 4.41Å; W83-R85 PolarHBondContact O-N 3.17Å; W83-F86 WeakPolarHBondContact O-CD2 3.39Å
84	L	86.6	Confident	79.8	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.4	-14.4	174.4	-68.6	164.8	0	0	0	113	L25 F37 F40 N82 F86 V87 Y109	L25-L84 HydrophobicContact CD2-CD2 4.49Å; F37-L84 HydrophobicContact CB-CD2 4.34Å; F40-L84 HydrophobicContact CD2-CB 3.82Å; F40-L84 HydrophobicContact CE2-CB 4.49Å; N82-L84 PolarHBondContact O-N 3.45Å; N82-L84 VanDerWaalsContact OD1-CB 3.26Å; N82-L84 WeakPolarHBondContact OD1-CB 3.46Å; N82-L84 PolarHBondContact OD1-N 2.86Å; L84-F86 PolarHBondContact O-N 2.92Å; L84-V87 HydrophobicContact CD2-CG2 4.3Å; L84-V87 WeakPolarHBondContact O-CB 3.37Å; L84-V87 WeakPolarHBondContact O-CG2 3.22Å; L84-V87 PolarHBondContact O-N 2.99Å; L84-Y109 HydrophobicContact CB-CD2 4.41Å; L84-Y109 HydrophobicContact CB-CE2 3.88Å; L84-Y109 HydrophobicContact CD1-CD2 4.16Å; L84-Y109 HydrophobicContact CD1-CE2 4.25Å; L84-Y109 HydrophobicContact CD2-CD2 3.81Å; L84-Y109 HydrophobicContact CD2-CE2 4.11Å; L84-Y109 HydrophobicContact CG-CD2 4.37Å; L84-Y109 HydrophobicContact CG-CE2 4.32Å
85	R	85	Confident	79.7	Confident	28 Å²	28	55.7 Å²	55.7	11%	0.106	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.5	-8.3	172.6	78.1	178.4	-163	72.3	-6.4	115	F40 A75 A81 N82 W83	F40-R85 HydrophobicContact CE2-CB 4.31Å; A75-R85 HydrophobicContact CB-CB 3.83Å; A81-R85 HydrophobicContact CB-CB 4.15Å; A81-R85 HydrophobicContact CB-CG 4.39Å; N82-R85 WeakPolarHBondContact O-CB 3.4Å; N82-R85 VanDerWaalsContact O-CG 3.23Å; N82-R85 WeakPolarHBondContact O-CG 3.23Å; N82-R85 PolarHBondContact O-N 3.14Å; N82-R85 VanDerWaalsContact O-N 3.15Å; W83-R85 PolarHBondContact O-N 3.17Å
86	F	85.8	Confident	80	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.026	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-98.3	6.3	176.3	-57	-75.7	0	0	0	112.7	M3 M6 L14 I23 L25 W83 L84 H88	M3-F86 HydrophobicContact CE-CE1 4.48Å; M3-F86 HydrophobicContact CE-CZ 3.81Å; M6-F86 HydrophobicContact CE-CE2 3.47Å; M6-F86 VanDerWaalsContact CE-CE2 3.47Å; M6-F86 HydrophobicContact CE-CZ 3.76Å; M6-F86 HydrophobicContact SD-CE2 3.74Å; M6-F86 HydrophobicContact SD-CZ 4.35Å; L14-F86 HydrophobicContact CD1-CD2 4.09Å; L14-F86 HydrophobicContact CD1-CE2 3.82Å; L14-F86 HydrophobicContact CD1-CZ 4.27Å; L14-F86 HydrophobicContact CD2-CB 3.89Å; L14-F86 HydrophobicContact CD2-CD2 3.51Å; L14-F86 HydrophobicContact CD2-CE2 4.11Å; L14-F86 HydrophobicContact CD2-CG 3.76Å; L14-F86 HydrophobicContact CG-CD2 4.49Å; I23-F86 HydrophobicContact CB-CD1 3.92Å; I23-F86 HydrophobicContact CB-CE1 3.98Å; I23-F86 HydrophobicContact CG2-CD1 4.01Å; I23-F86 HydrophobicContact CG2-CE1 4.17Å; I23-F86 HydrophobicContact CG2-CG 4.48Å; I23-F86 WeakPolarHBondContact O-CD1 3.35Å; L25-F86 HydrophobicContact CB-CB 4.16Å; L25-F86 PolarHBondContact N-O 3.01Å; W83-F86 WeakPolarHBondContact O-CD2 3.39Å; L84-F86 PolarHBondContact O-N 2.92Å; F86-H88 PolarHBondContact O-CE1 3.24Å; F86-H88 PolarHBondContact O-NE2 2.83Å
87	V	86.6	Confident	80.6	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	28%	0.276	C	S	.	.			trans	-80.4	119.8	166.6	176.3	0	0	0	0	107.5	L25 L84 L98 Y109 L121 I123	L25-V87 HydrophobicContact CB-CG2 4.48Å; L25-V87 HydrophobicContact CD2-CG2 3.82Å; L84-V87 HydrophobicContact CD2-CG2 4.3Å; L84-V87 WeakPolarHBondContact O-CB 3.37Å; L84-V87 WeakPolarHBondContact O-CG2 3.22Å; L84-V87 PolarHBondContact O-N 2.99Å; V87-L98 HydrophobicContact CG1-CD1 3.8Å; V87-L98 HydrophobicContact CG2-CD1 4.22Å; V87-Y109 HydrophobicContact CB-CE1 4.48Å; V87-Y109 HydrophobicContact CG1-CD1 4.34Å; V87-Y109 HydrophobicContact CG1-CE1 4.01Å; V87-L121 HydrophobicContact CG2-CB 4.25Å; V87-I123 HydrophobicContact CG1-CB 4.02Å; V87-I123 HydrophobicContact CG1-CG2 4.12Å
88	H	84.2	Confident	81.4	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	157.5	-174.3	-59.6	-38.5	0	0	0	111.5	Q20 I23 F86 A90 E120 L122 I123	Q20-H88 PolarHBondContact NE2-CD2 2.83Å; Q20-H88 PolarHBondContact NE2-CE1 3.43Å; Q20-H88 PolarHBondContact NE2-ND1 2.87Å; Q20-H88 PolarHBondContact NE2-NE2 3.32Å; Q20-H88 VanDerWaalsContact NE2-NE2 3.17Å; I23-H88 PolarHBondContact O-NE2 3.12Å; F86-H88 PolarHBondContact O-CE1 3.24Å; F86-H88 PolarHBondContact O-NE2 2.83Å; H88-A90 PolarHBondContact O-N 3.22Å; H88-E120 IonicContact CD2-OE1 3.44Å; H88-L122 HydrophobicContact CB-CD2 4.15Å; H88-L122 CarbonylContact O-C 3.42Å; H88-L122 VanDerWaalsContact O-CA 3.31Å; H88-L122 WeakPolarHBondContact O-CA 3.17Å; H88-I123 WeakPolarHBondContact O-CG2 3.04Å; H88-I123 PolarHBondContact O-N 2.82Å
89	Q	82.8	Confident	82.3	Confident	117 Å²	117	51.8 Å²	51.8	55%	0.547	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.9	172	-179	174.4	5.7	0	0	109.9	I123 Y125	Q89-I123 WeakPolarHBondContact CA-O 3.24Å; Q89-Y125 HydrophobicContact CB-CE2 4.03Å; Q89-Y125 HydrophobicContact CG-CD2 3.89Å; Q89-Y125 HydrophobicContact CG-CE2 3.62Å
90	A	84.6	Confident	83	Confident	11 Å²	11	42.6 Å²	42.6	9%	0.091	22%	0.223	C	C	.	.			trans	-64.2	134.4	173.3	0	0	0	0	0	110.2	H88 S92 Q95 K96 L122 I123	H88-A90 PolarHBondContact O-N 3.22Å; A90-S92 WeakPolarHBondContact CB-O 3.34Å; A90-S92 PolarHBondContact O-N 2.65Å; A90-Q95 HydrophobicContact CB-CB 4.41Å; A90-K96 HydrophobicContact CB-CB 3.86Å; A90-L122 HydrophobicContact CB-CB 3.97Å; A90-I123 PolarHBondContact N-O 3.38Å
91	P	81	Confident	83.6	Confident	86 Å²	86	41.5 Å²	41.5	56%	0.558	22%	0.22	S	C	*	.	S	Bend	trans	-62.5	-29.3	175.4	-20.6	29.7	0	0	0	113.8	V19 Q95	V19-P91 HydrophobicContact CB-CG 4.29Å; V19-P91 HydrophobicContact CG1-CG 3.72Å; V19-P91 HydrophobicContact CG2-CG 3.79Å; P91-Q95 VanDerWaalsContact CD-OE1 3.28Å
92	S	81.3	Confident	83.7	Confident	43 Å²	43	44.2 Å²	44.2	30%	0.301	23%	0.231	S	C	.	.	S	Bend	trans	-143.5	166.9	178.8	80.9	0	0	0	0	111.4	A90 E94 Q95	A90-S92 WeakPolarHBondContact CB-O 3.34Å; A90-S92 PolarHBondContact O-N 2.65Å; S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 WeakPolarHBondContact CB-OE2 3.3Å; S92-E94 PolarHBondContact O-N 3.43Å; S92-E94 PolarHBondContact OG-OE2 3.16Å; S92-Q95 PolarHBondContact O-N 3.49Å
93	Q	74.2	Confident	83.4	Confident	40 Å²	40	46.7 Å²	46.7	19%	0.187	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.9	-29.5	-176.3	-166.4	73.5	-59.9	0	0	113	Q95 K96 D127 M130	Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-K96 VanDerWaalsContact CD-CE 3.47Å; Q93-K96 VanDerWaalsContact O-CG 3.27Å; Q93-K96 WeakPolarHBondContact O-CG 3.14Å; Q93-D127 VanDerWaalsContact CD-OD2 3.26Å; Q93-D127 PolarHBondContact NE2-OD2 2.93Å; Q93-D127 PolarHBondContact OE1-OD2 3.06Å; Q93-M130 HydrophobicContact CB-SD 4.31Å; Q93-M130 HydrophobicContact CG-CE 4.26Å; Q93-M130 HydrophobicContact CG-SD 3.7Å; Q93-M130 PolarHBondContact NE2-SD 3.3Å; Q93-M130 VanDerWaalsContact NE2-SD 3.38Å
94	E	80.6	Confident	83.2	Confident	144 Å²	144	47.9 Å²	47.9	67%	0.673	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-77	-21.6	-179.1	-50.8	68	-137.9	0	0	111.6	S92	S92-E94 VanDerWaalsContact C-N 3.27Å; S92-E94 WeakPolarHBondContact CB-OE2 3.3Å; S92-E94 PolarHBondContact O-N 3.43Å; S92-E94 PolarHBondContact OG-OE2 3.16Å
95	Q	81.1	Confident	82.7	Confident	99 Å²	99	52.8 Å²	52.8	46%	0.463	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-91.4	-9	-178.5	-66.7	-175.8	-38.5	0	0	112.9	A90 P91 S92 Q93 L122	A90-Q95 HydrophobicContact CB-CB 4.41Å; P91-Q95 VanDerWaalsContact CD-OE1 3.28Å; S92-Q95 PolarHBondContact O-N 3.49Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q95-L122 HydrophobicContact CB-CD1 4.38Å
96	K	85.9	Confident	82.4	Confident	53 Å²	53	54.9 Å²	54.9	23%	0.23	30%	0.302	C	S	.	.			trans	-70.2	140.3	175.8	82.8	-173.6	160.6	-178.5	0	110.6	A90 Q93	A90-K96 HydrophobicContact CB-CB 3.86Å; Q93-K96 VanDerWaalsContact CD-CE 3.47Å; Q93-K96 VanDerWaalsContact O-CG 3.27Å; Q93-K96 WeakPolarHBondContact O-CG 3.14Å
97	N	90.8	Very high	82.2	Confident	17 Å²	17	54.8 Å²	54.8	9%	0.091	30%	0.302	C	S	.	.			trans	-135.8	-4.7	173.2	56.5	34.6	0	0	0	113	A111 V112 I115 E120 L121 L122	N97-A111 WeakPolarHBondContact O-CA 3.43Å; N97-V112 PolarHBondContact O-N 3.44Å; N97-I115 HydrophobicContact CB-CD1 3.84Å; N97-I115 HydrophobicContact CB-CG1 4.07Å; N97-E120 PolarHBondContact ND2-O 3.38Å; N97-L121 WeakPolarHBondContact OD1-CA 3.38Å; N97-L122 PolarHBondContact N-O 2.65Å; N97-L122 PolarHBondContact OD1-N 3.22Å; N97-L122 PolarHBondContact OD1-O 2.85Å
98	L	89.6	Confident	82.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.6	171.2	-61	-179.9	0	0	0	112	F37 V87 Y109 L110 A111 I115 L121 L122 I123 G124	F37-L98 HydrophobicContact CD2-CD2 4.01Å; F37-L98 HydrophobicContact CE2-CD2 3.72Å; V87-L98 HydrophobicContact CG1-CD1 3.8Å; V87-L98 HydrophobicContact CG2-CD1 4.22Å; L98-Y109 HydrophobicContact CB-CD1 4.4Å; L98-Y109 HydrophobicContact CD1-CD1 4.28Å; L98-Y109 HydrophobicContact CD1-CG 4.29Å; L98-L110 CarbonylContact C-O 3.49Å; L98-L110 WeakPolarHBondContact CA-O 3.41Å; L98-A111 HydrophobicContact CD2-CB 4.38Å; L98-I115 HydrophobicContact CD2-CD1 4.05Å; L98-L121 HydrophobicContact CD1-CB 3.74Å; L98-L121 HydrophobicContact CD1-CD1 4.25Å; L98-L121 HydrophobicContact CD1-CD2 4.1Å; L98-L121 HydrophobicContact CD1-CG 4.24Å; L98-L121 HydrophobicContact CD2-CD2 4.18Å; L98-L121 HydrophobicContact CG-CB 4.49Å; L98-L121 HydrophobicContact CG-CD2 4.18Å; L98-L122 PolarHBondContact N-O 3.27Å; L98-I123 WeakPolarHBondContact O-CA 3.44Å; L98-G124 PolarHBondContact O-N 2.97Å
99	A	87	Confident	82.3	Confident	17 Å²	17	55.3 Å²	55.3	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.8	164	0	0	0	0	0	110	Y109 L110 V112	A99-Y109 CarbonylContact O-C 3.54Å; A99-Y109 WeakPolarHBondContact O-CA 3.33Å; A99-L110 PolarHBondContact N-O 3.35Å; A99-L110 PolarHBondContact O-N 3.15Å; A99-V112 HydrophobicContact CB-CG1 3.58Å
100	A	85.3	Confident	82.5	Confident	38 Å²	38	52.1 Å²	52.1	31%	0.314	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138	169.1	0	0	0	0	0	110.3	W60 I107 F108 Y109 I123	W60-A100 HydrophobicContact CE3-CB 4.35Å; W60-A100 HydrophobicContact CH2-CB 4.08Å; W60-A100 HydrophobicContact CZ3-CB 3.58Å; A100-I107 HydrophobicContact CB-CG2 4.37Å; A100-F108 CarbonylContact C-O 3.51Å; A100-F108 WeakPolarHBondContact CA-O 3.26Å; A100-Y109 HydrophobicContact CB-CE1 4.5Å; A100-I123 HydrophobicContact CB-CD1 3.24Å; A100-I123 VanDerWaalsContact N-CD1 3.29Å
101	I	82.6	Confident	82.8	Confident	71 Å²	71	51.7 Å²	51.7	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.1	176.1	-51.2	-178.4	0	0	0	107.8	F108 L110	I101-F108 PolarHBondContact N-O 3.02Å; I101-F108 PolarHBondContact O-N 2.82Å; I101-L110 HydrophobicContact CD1-CB 3.52Å; I101-L110 HydrophobicContact CD1-CD2 3.58Å; I101-L110 HydrophobicContact CD1-CG 4.05Å; I101-L110 HydrophobicContact CG1-CB 4.2Å
102	Q	78.4	Confident	83.1	Confident	67 Å²	67	49.4 Å²	49.4	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	170.9	-173.6	175.7	-5.7	0	0	110.4	V62 R63 G104 I107	V62-Q102 VanDerWaalsContact CG1-NE2 3.33Å; R63-Q102 PolarHBondContact O-NE2 3.03Å; Q102-G104 WeakPolarHBondContact CG-O 3.41Å; Q102-G104 PolarHBondContact NE2-O 2.92Å; Q102-I107 HydrophobicContact CB-CD1 3.8Å; Q102-I107 HydrophobicContact CG-CD1 3.81Å
103	D	77.1	Confident	83.5	Confident	89 Å²	89	51.3 Å²	51.3	48%	0.476	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	98.7	179.4	-176.8	12.1	0	0	0	108.4	K36 E105 N106 F108	K36-D103 IonicContact NZ-OD2 2.7Å; K36-D103 PolarHBondContact NZ-OD2 3.46Å; D103-E105 PolarHBondContact O-N 3.06Å; D103-N106 PolarHBondContact N-O 3.49Å; D103-N106 PolarHBondContact O-N 3.4Å; D103-F108 HydrophobicContact CB-CD2 3.84Å; D103-F108 HydrophobicContact CB-CE2 3.79Å
104	G	77.9	Confident	84.3	Confident	56 Å²	56	53.1 Å²	53.1	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-128.8	-166.5	0	0	0	0	0	112	Q102 N106	Q102-G104 WeakPolarHBondContact CG-O 3.41Å; Q102-G104 PolarHBondContact NE2-O 2.92Å; G104-N106 VanDerWaalsContact C-N 3.26Å; G104-N106 PolarHBondContact O-N 3.2Å
105	E	74.6	Confident	84.8	Confident	103 Å²	103	46.5 Å²	46.5	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.7	178.3	-82.4	-170.8	-160.4	0	0	114.3	K44 V62 Y71 D103	K44-E105 IonicContact NZ-OE2 3.68Å; K44-E105 PolarHBondContact NZ-OE2 3.18Å; V62-E105 WeakPolarHBondContact CG1-O 3.39Å; Y71-E105 HydrophobicContact CE1-CG 4.28Å; Y71-E105 WeakPolarHBondContact OH-CB 3.47Å; Y71-E105 PolarHBondContact OH-O 3.29Å; D103-E105 PolarHBondContact O-N 3.06Å
106	N	78.2	Confident	85.4	Confident	72 Å²	72	46.3 Å²	46.3	39%	0.385	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.8	-171.5	-64.8	-59.9	0	0	0	111.9	P39 D103 G104 F108	P39-N106 HydrophobicContact CB-CB 3.93Å; D103-N106 PolarHBondContact N-O 3.49Å; D103-N106 PolarHBondContact O-N 3.4Å; G104-N106 VanDerWaalsContact C-N 3.26Å; G104-N106 PolarHBondContact O-N 3.2Å; N106-F108 HydrophobicContact CB-CD2 4.26Å; N106-F108 HydrophobicContact CB-CE2 3.53Å; N106-F108 HydrophobicContact CB-CZ 4.01Å
107	I	83	Confident	85.7	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135	172.1	-55.8	-62.4	0	0	0	109.2	P39 F40 W60 V62 L73 A100 Q102	P39-I107 CarbonylContact C-O 3.49Å; P39-I107 WeakPolarHBondContact CA-O 3.22Å; F40-I107 HydrophobicContact CB-CB 4.06Å; F40-I107 HydrophobicContact CB-CG2 4.3Å; F40-I107 PolarHBondContact N-O 3.3Å; W60-I107 HydrophobicContact CB-CG1 4.28Å; W60-I107 HydrophobicContact CD2-CG2 4.41Å; W60-I107 HydrophobicContact CE3-CG2 4.2Å; V62-I107 HydrophobicContact CG2-CD1 4.41Å; V62-I107 HydrophobicContact CG2-CG1 4.21Å; L73-I107 HydrophobicContact CD1-CG1 4.39Å; A100-I107 HydrophobicContact CB-CG2 4.37Å; Q102-I107 HydrophobicContact CB-CD1 3.8Å; Q102-I107 HydrophobicContact CG-CD1 3.81Å
108	F	84.7	Confident	85.7	Confident	32 Å²	32	51 Å²	51	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.7	176.8	-64.6	-90.7	0	0	0	110.4	K36 F37 P39 A100 I101 D103 N106	K36-F108 HydrophobicContact CD-CB 4.34Å; K36-F108 HydrophobicContact CD-CD1 4.24Å; K36-F108 HydrophobicContact CD-CG 4.29Å; K36-F108 VanDerWaalsContact CE-CB 3.46Å; K36-F108 VanDerWaalsContact CE-CD2 3.44Å; K36-F108 HydrophobicContact CG-CB 4.04Å; K36-F108 HydrophobicContact CG-CD1 4.14Å; K36-F108 HydrophobicContact CG-CG 4.32Å; F37-F108 CarbonylContact O-C 3.31Å; F37-F108 VanDerWaalsContact O-CA 3.27Å; F37-F108 WeakPolarHBondContact O-CA 3.42Å; F37-F108 WeakPolarHBondContact O-CB 3.2Å; F37-F108 WeakPolarHBondContact O-CD1 3.5Å; P39-F108 HydrophobicContact CB-CE1 4.04Å; P39-F108 HydrophobicContact CB-CZ 4.08Å; A100-F108 CarbonylContact C-O 3.51Å; A100-F108 WeakPolarHBondContact CA-O 3.26Å; I101-F108 PolarHBondContact N-O 3.02Å; I101-F108 PolarHBondContact O-N 2.82Å; D103-F108 HydrophobicContact CB-CD2 3.84Å; D103-F108 HydrophobicContact CB-CE2 3.79Å; N106-F108 HydrophobicContact CB-CD2 4.26Å; N106-F108 HydrophobicContact CB-CE2 3.53Å; N106-F108 HydrophobicContact CB-CZ 4.01Å
109	Y	88.2	Confident	85.8	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.3	169.2	-60.8	-84.3	0	0	0	110.1	K36 F37 F40 W60 L84 V87 L98 A99 A100 I123	K36-Y109 CarbonylContact C-O 3.56Å; K36-Y109 WeakPolarHBondContact CA-O 3.38Å; F37-Y109 PolarHBondContact N-O 3.44Å; F37-Y109 PolarHBondContact O-N 3.04Å; F40-Y109 HydrophobicContact CB-CE2 4.26Å; F40-Y109 AromaticContact CD2-CE2 3.86Å; F40-Y109 HydrophobicContact CD2-CE2 3.86Å; F40-Y109 WeakPolarHBondContact CD2-OH 3.49Å; F40-Y109 HydrophobicContact CG-CE2 4.5Å; W60-Y109 HydrophobicContact CH2-CE1 4.43Å; W60-Y109 HydrophobicContact CZ2-CE1 4.26Å; W60-Y109 WeakPolarHBondContact CZ2-OH 3.31Å; L84-Y109 HydrophobicContact CB-CD2 4.41Å; L84-Y109 HydrophobicContact CB-CE2 3.88Å; L84-Y109 HydrophobicContact CD1-CD2 4.16Å; L84-Y109 HydrophobicContact CD1-CE2 4.25Å; L84-Y109 HydrophobicContact CD2-CD2 3.81Å; L84-Y109 HydrophobicContact CD2-CE2 4.11Å; L84-Y109 HydrophobicContact CG-CD2 4.37Å; L84-Y109 HydrophobicContact CG-CE2 4.32Å; V87-Y109 HydrophobicContact CB-CE1 4.48Å; V87-Y109 HydrophobicContact CG1-CD1 4.34Å; V87-Y109 HydrophobicContact CG1-CE1 4.01Å; L98-Y109 HydrophobicContact CB-CD1 4.4Å; L98-Y109 HydrophobicContact CD1-CD1 4.28Å; L98-Y109 HydrophobicContact CD1-CG 4.29Å; A99-Y109 CarbonylContact O-C 3.54Å; A99-Y109 WeakPolarHBondContact O-CA 3.33Å; A100-Y109 HydrophobicContact CB-CE1 4.5Å; Y109-I123 HydrophobicContact CD1-CD1 3.76Å; Y109-I123 HydrophobicContact CE1-CB 4.25Å; Y109-I123 HydrophobicContact CE1-CD1 3.46Å; Y109-I123 VanDerWaalsContact CE1-CD1 3.46Å; Y109-I123 HydrophobicContact CE1-CG1 4.41Å
110	L	87.5	Confident	86.1	Confident	50 Å²	50	53 Å²	53	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.7	175.8	-171.7	76	0	0	0	109.4	G34 K36 L98 A99 I101 V112	G34-L110 WeakPolarHBondContact O-CD1 3.23Å; K36-L110 HydrophobicContact CB-CD1 4.19Å; L98-L110 CarbonylContact C-O 3.49Å; L98-L110 WeakPolarHBondContact CA-O 3.41Å; A99-L110 PolarHBondContact N-O 3.35Å; A99-L110 PolarHBondContact O-N 3.15Å; I101-L110 HydrophobicContact CD1-CB 3.52Å; I101-L110 HydrophobicContact CD1-CD2 3.58Å; I101-L110 HydrophobicContact CD1-CG 4.05Å; I101-L110 HydrophobicContact CG1-CB 4.2Å; L110-V112 PolarHBondContact O-N 3.27Å
111	A	90.8	Very high	86.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	119.3	170.3	0	0	0	0	0	110.4	V31 K32 G34 E35 N97 L98 I115	V31-A111 HydrophobicContact CG1-CB 3.66Å; K32-A111 WeakPolarHBondContact O-CB 3.36Å; G34-A111 PolarHBondContact N-O 2.89Å; E35-A111 PolarHBondContact O-N 3.17Å; N97-A111 WeakPolarHBondContact O-CA 3.43Å; L98-A111 HydrophobicContact CD2-CB 4.38Å; A111-I115 HydrophobicContact CB-CD1 4.08Å; A111-I115 HydrophobicContact CB-CG1 4.49Å
112	V	87.4	Confident	86.7	Confident	38 Å²	38	48.5 Å²	48.5	23%	0.23	27%	0.268	C	S	.	.	S	Bend	trans	-82.2	-22.2	-179.8	-63.7	0	0	0	0	112.5	K33 N97 A99 L110	K33-V112 WeakPolarHBondContact CD-O 3.47Å; K33-V112 WeakPolarHBondContact CE-O 3.41Å; K33-V112 WeakPolarHBondContact CG-O 3.37Å; K33-V112 PolarHBondContact NZ-O 2.81Å; N97-V112 PolarHBondContact O-N 3.44Å; A99-V112 HydrophobicContact CB-CG1 3.58Å; L110-V112 PolarHBondContact O-N 3.27Å
113	D	88	Confident	87.1	Confident	83 Å²	83	45.4 Å²	45.4	44%	0.444	25%	0.253	S	S	.	.	S	Bend	trans	-144.3	174.7	175.3	-70.5	-55.4	0	0	0	111.2	K33 I115	K33-D113 IonicContact NZ-OD1 3.35Å; K33-D113 PolarHBondContact NZ-OD1 3.05Å; D113-I115 WeakPolarHBondContact O-CG1 3.43Å; D113-I115 PolarHBondContact O-N 3.04Å
114	D	90.7	Very high	87	Confident	79 Å²	79	41.5 Å²	41.5	42%	0.422	24%	0.235	S	C	.	.			trans	-67	125.2	172.4	-80	-6.8	0	0	0	109.3	R30 V31 K32 K33	R30-D114 IonicContact CZ-OD2 3.05Å; R30-D114 IonicContact NH1-OD2 2.8Å; R30-D114 IonicContact NH2-OD2 3.58Å; R30-D114 PolarHBondContact NH2-OD2 2.81Å; V31-D114 WeakPolarHBondContact O-CA 3.23Å; K32-D114 WeakPolarHBondContact CA-OD1 3.36Å; K33-D114 PolarHBondContact N-OD1 3.39Å
115	I	92.8	Very high	86.3	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-109.2	118.9	-177.7	-40.5	178	0	0	0	108.5	T27 R30 V31 N97 L98 A111 D113 T119 L121	T27-I115 HydrophobicContact CG2-CG2 4.22Å; R30-I115 WeakPolarHBondContact CA-O 3.25Å; V31-I115 HydrophobicContact CB-CB 4.05Å; V31-I115 HydrophobicContact CB-CD1 4.39Å; V31-I115 HydrophobicContact CB-CG1 4.31Å; V31-I115 HydrophobicContact CG1-CD1 4.09Å; V31-I115 HydrophobicContact CG1-CG1 4.26Å; V31-I115 PolarHBondContact N-O 3.38Å; V31-I115 PolarHBondContact O-N 3.03Å; N97-I115 HydrophobicContact CB-CD1 3.84Å; N97-I115 HydrophobicContact CB-CG1 4.07Å; L98-I115 HydrophobicContact CD2-CD1 4.05Å; A111-I115 HydrophobicContact CB-CD1 4.08Å; A111-I115 HydrophobicContact CB-CG1 4.49Å; D113-I115 WeakPolarHBondContact O-CG1 3.43Å; D113-I115 PolarHBondContact O-N 3.04Å; I115-T119 HydrophobicContact CG2-CG2 3.8Å; I115-L121 HydrophobicContact CD1-CD2 3.58Å; I115-L121 HydrophobicContact CG2-CD2 4.41Å
116	E	92.8	Very high	84.8	Confident	94 Å²	94	45.3 Å²	45.3	44%	0.439	24%	0.238	S	C	.	.			trans	-70.3	162.8	178.1	-66.5	-54.9	142.6	0	0	112.1	T27 R30 T119	T27-E116 PolarHBondContact OG1-O 3.12Å; R30-E116 IonicContact CZ-OE1 2.81Å; R30-E116 IonicContact NE-OE1 3.58Å; R30-E116 PolarHBondContact NE-OE1 3.47Å; R30-E116 IonicContact NE-OE2 3.96Å; R30-E116 IonicContact NH2-OE1 3.97Å; R30-E116 PolarHBondContact NH2-OE1 2.86Å; E116-T119 WeakPolarHBondContact O-CB 3.48Å; E116-T119 PolarHBondContact O-OG1 2.93Å
117	T	92.3	Very high	82.8	Confident	79 Å²	79	45.8 Å²	45.8	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	146.8	174.3	48.3	0	0	0	0	111.8	T119	T117-T119 PolarHBondContact O-N 3.22Å
118	D	90.9	Very high	80.5	Confident	89 Å²	89	51 Å²	51	48%	0.476	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	27.1	179	-155.3	21.6	0	0	0	114.8	K15 T27	K15-D118 VanDerWaalsContact NZ-CG 3.33Å; K15-D118 IonicContact NZ-OD1 2.77Å; K15-D118 PolarHBondContact NZ-OD1 2.81Å; K15-D118 IonicContact NZ-OD2 3.39Å; K15-D118 PolarHBondContact NZ-OD2 3.17Å; T27-D118 WeakPolarHBondContact O-CA 3.48Å; T27-D118 PolarHBondContact O-N 3.49Å; T27-D118 PolarHBondContact OG1-N 3.32Å
119	T	91.9	Very high	78	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.301	31%	0.307	S	S	.	.			trans	-97.9	136.3	173.6	-50.7	0	0	0	0	109.7	Y26 T27 I115 E116 T117	Y26-T119 WeakPolarHBondContact CA-O 3.35Å; T27-T119 PolarHBondContact N-O 3.28Å; T27-T119 VanDerWaalsContact N-O 3.11Å; T27-T119 PolarHBondContact OG1-N 2.91Å; I115-T119 HydrophobicContact CG2-CG2 3.8Å; E116-T119 WeakPolarHBondContact O-CB 3.48Å; E116-T119 PolarHBondContact O-OG1 2.93Å; T117-T119 PolarHBondContact O-N 3.22Å
120	E	93.6	Very high	75.3	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.061	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-68.9	131.8	173.6	-165.7	163.2	177	0	0	109.7	S17 K18 L25 Y26 H88 N97 L122	S17-E120 VanDerWaalsContact CB-OE1 3.23Å; S17-E120 WeakPolarHBondContact CB-OE1 3.39Å; S17-E120 PolarHBondContact OG-OE1 3.24Å; K18-E120 PolarHBondContact N-OE2 3.5Å; L25-E120 CarbonylContact O-C 3.6Å; L25-E120 WeakPolarHBondContact O-CA 3.49Å; Y26-E120 HydrophobicContact CD1-CB 4.24Å; Y26-E120 HydrophobicContact CD2-CB 4.34Å; Y26-E120 HydrophobicContact CD2-CG 4.2Å; Y26-E120 HydrophobicContact CE1-CB 3.77Å; Y26-E120 HydrophobicContact CE1-CG 4.49Å; Y26-E120 HydrophobicContact CE2-CB 3.84Å; Y26-E120 HydrophobicContact CE2-CG 3.63Å; Y26-E120 PolarHBondContact OH-OE2 2.75Å; H88-E120 IonicContact CD2-OE1 3.44Å; N97-E120 PolarHBondContact ND2-O 3.38Å; E120-L122 HydrophobicContact CB-CG 4.44Å; E120-L122 HydrophobicContact CG-CD2 3.99Å; E120-L122 HydrophobicContact CG-CG 4.31Å; E120-L122 PolarHBondContact O-N 3.38Å
121	L	91.3	Very high	72.8	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.364	C	S	.	.			trans	-79.2	115.8	175.6	-72.3	-175.8	0	0	0	109.6	F12 L25 T27 V87 N97 L98 I115	F12-L121 HydrophobicContact CD1-CD1 4.02Å; F12-L121 HydrophobicContact CE1-CD1 3.66Å; F12-L121 HydrophobicContact CZ-CD1 4.43Å; L25-L121 HydrophobicContact CD2-CD1 3.67Å; L25-L121 HydrophobicContact CG-CD1 4.18Å; L25-L121 PolarHBondContact O-N 3.36Å; T27-L121 HydrophobicContact CG2-CD1 4.28Å; T27-L121 HydrophobicContact CG2-CD2 3.63Å; T27-L121 HydrophobicContact CG2-CG 3.94Å; V87-L121 HydrophobicContact CG2-CB 4.25Å; N97-L121 WeakPolarHBondContact OD1-CA 3.38Å; L98-L121 HydrophobicContact CD1-CB 3.74Å; L98-L121 HydrophobicContact CD1-CD1 4.25Å; L98-L121 HydrophobicContact CD1-CD2 4.1Å; L98-L121 HydrophobicContact CD1-CG 4.24Å; L98-L121 HydrophobicContact CD2-CD2 4.18Å; L98-L121 HydrophobicContact CG-CB 4.49Å; L98-L121 HydrophobicContact CG-CD2 4.18Å; I115-L121 HydrophobicContact CD1-CD2 3.58Å; I115-L121 HydrophobicContact CG2-CD2 4.41Å
122	L	89.6	Confident	70.3	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.068	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	-174.7	-62.7	176.7	0	0	0	110.1	V19 H88 A90 Q95 N97 L98 E120	V19-L122 HydrophobicContact CB-CD2 4.45Å; V19-L122 HydrophobicContact CG2-CD1 3.92Å; V19-L122 HydrophobicContact CG2-CD2 3.81Å; H88-L122 HydrophobicContact CB-CD2 4.15Å; H88-L122 CarbonylContact O-C 3.42Å; H88-L122 VanDerWaalsContact O-CA 3.31Å; H88-L122 WeakPolarHBondContact O-CA 3.17Å; A90-L122 HydrophobicContact CB-CB 3.97Å; Q95-L122 HydrophobicContact CB-CD1 4.38Å; N97-L122 PolarHBondContact N-O 2.65Å; N97-L122 PolarHBondContact OD1-N 3.22Å; N97-L122 PolarHBondContact OD1-O 2.85Å; L98-L122 PolarHBondContact N-O 3.27Å; E120-L122 HydrophobicContact CB-CG 4.44Å; E120-L122 HydrophobicContact CG-CD2 3.99Å; E120-L122 HydrophobicContact CG-CG 4.31Å; E120-L122 PolarHBondContact O-N 3.38Å
123	I	86.4	Confident	68	Low	2 Å²	2	83.4 Å²	83.4	1%	0.01	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.5	176.8	-178.4	157.5	0	0	0	111.1	W60 V87 H88 Q89 A90 L98 A100 Y109	W60-I123 HydrophobicContact CH2-CD1 3.42Å; W60-I123 VanDerWaalsContact CH2-CD1 3.42Å; W60-I123 HydrophobicContact CH2-CG1 4.47Å; W60-I123 HydrophobicContact CH2-CG2 4.45Å; W60-I123 HydrophobicContact CZ2-CD1 4.24Å; W60-I123 HydrophobicContact CZ3-CD1 4.06Å; V87-I123 HydrophobicContact CG1-CB 4.02Å; V87-I123 HydrophobicContact CG1-CG2 4.12Å; H88-I123 WeakPolarHBondContact O-CG2 3.04Å; H88-I123 PolarHBondContact O-N 2.82Å; Q89-I123 WeakPolarHBondContact CA-O 3.24Å; A90-I123 PolarHBondContact N-O 3.38Å; L98-I123 WeakPolarHBondContact O-CA 3.44Å; A100-I123 HydrophobicContact CB-CD1 3.24Å; A100-I123 VanDerWaalsContact N-CD1 3.29Å; Y109-I123 HydrophobicContact CD1-CD1 3.76Å; Y109-I123 HydrophobicContact CE1-CB 4.25Å; Y109-I123 HydrophobicContact CE1-CD1 3.46Å; Y109-I123 VanDerWaalsContact CE1-CD1 3.46Å; Y109-I123 HydrophobicContact CE1-CG1 4.41Å
124	G	74.3	Confident	65.4	Low	8 Å²	8	88.5 Å²	88.5	8%	0.082	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.6	161.2	0	0	0	0	0	109.9	L98	L98-G124 PolarHBondContact O-N 2.97Å
125	Y	63	Low	62.8	Low	93 Å²	93	93.9 Å²	93.9	37%	0.365	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-75	132.9	157	-61.7	-78.4	0	0	0	106.1	W60 Q89 D127	W60-Y125 AromaticContact CH2-CE1 3.88Å; W60-Y125 HydrophobicContact CH2-CE1 3.88Å; W60-Y125 HydrophobicContact CZ3-CE1 4.01Å; Q89-Y125 HydrophobicContact CB-CE2 4.03Å; Q89-Y125 HydrophobicContact CG-CD2 3.89Å; Q89-Y125 HydrophobicContact CG-CE2 3.62Å; Y125-D127 VanDerWaalsContact C-N 3.28Å; Y125-D127 PolarHBondContact O-N 3.15Å
126	L	44.3	Very low	59.8	Low	146 Å²	146	102.6 Å²	102.6	76%	0.764	52%	0.516	S	S	*	.			trans	-62.3	102.8	167.1	-74.2	168.7	0	0	0	105.4	S128	L126-S128 PolarHBondContact O-N 3.49Å
127	D	35.9	Very low	57	Low	82 Å²	82	107.2 Å²	107.2	44%	0.439	54%	0.537	S	S	.	.			trans	-54.2	120.1	176.6	-60.9	-56.8	0	0	0	107.9	Q93 Y125 D129 M130	Q93-D127 VanDerWaalsContact CD-OD2 3.26Å; Q93-D127 PolarHBondContact NE2-OD2 2.93Å; Q93-D127 PolarHBondContact OE1-OD2 3.06Å; Y125-D127 VanDerWaalsContact C-N 3.28Å; Y125-D127 PolarHBondContact O-N 3.15Å; D127-D129 PolarHBondContact O-N 3.44Å; D127-D129 VanDerWaalsContact O-N 3.12Å; D127-M130 HydrophobicContact CB-CB 4.46Å; D127-M130 HydrophobicContact CB-CG 3.71Å
128	S	34.2	Very low	53.9	Low	113 Å²	113	112 Å²	112	79%	0.79	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	9.4	157.3	40.3	0	0	0	0	112.5	L126	L126-S128 PolarHBondContact O-N 3.49Å
129	D	32.4	Very low	50.8	Low	144 Å²	144	116.4 Å²	116.4	77%	0.77	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.8	40.7	-172.9	-64.9	-60.6	0	0	0	114.3	D127 E131	D127-D129 PolarHBondContact O-N 3.44Å; D127-D129 VanDerWaalsContact O-N 3.12Å; D129-E131 PolarHBondContact O-N 2.77Å
130	M	32	Very low	47.9	Very low	112 Å²	112	119.8 Å²	119.8	55%	0.552	59%	0.592	S	S	*	*			trans	-85.2	88.9	168.8	-83.6	-102	-53.2	0	0	111.6	Q93 D127	Q93-M130 HydrophobicContact CB-SD 4.31Å; Q93-M130 HydrophobicContact CG-CE 4.26Å; Q93-M130 HydrophobicContact CG-SD 3.7Å; Q93-M130 PolarHBondContact NE2-SD 3.3Å; Q93-M130 VanDerWaalsContact NE2-SD 3.38Å; D127-M130 HydrophobicContact CB-CB 4.46Å; D127-M130 HydrophobicContact CB-CG 3.71Å
131	E	33.6	Very low	44.8	Very low	195 Å²	195	126.1 Å²	126.1	91%	0.911	63%	0.631	S	S	*	*			trans	-134	80.9	149	-77.2	-175.2	-173.9	0	0	107.3	D129	D129-E131 PolarHBondContact O-N 2.77Å
132	E	38.5	Very low	41.8	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	67%	0.666	S	S	*	*			trans	-84.3	117.2	162.4	-76.9	-174.9	172.1	0	0	109.2
133	E	39.9	Very low	38.8	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	69%	0.693	S	S	*	*			trans	17	106.6	140.2	-60.4	177.5	173.3	0	0	117.9
134	E	33.3	Very low	36.1	Very low	191 Å²	191	146.6 Å²	146.6	89%	0.893	73%	0.728	S	S	*	*			trans	-115.9	121.2	146.3	-77.4	-176.8	167.9	0	0	108.2
135	E	36.4	Very low	33.8	Very low	191 Å²	191	153.3 Å²	153.3	89%	0.893	76%	0.762	S	S	*	*			trans	-67.5	121.8	173.3	-65.1	176.1	149.9	0	0	109.7
136	E	29.4	Very low	32.2	Very low	189 Å²	189	156.9 Å²	156.9	88%	0.883	78%	0.782	S	S	*	*			trans	-132.4	120.1	155.5	-75.7	-171	161.5	0	0	108.9
137	E	34.3	Very low	31.4	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	78%	0.779	S	S	*	*			trans	-58.9	132	165.8	-64.5	177	145	0	0	109.5
138	E	25.7	Very low	31.2	Very low	181 Å²	181	155.9 Å²	155.9	85%	0.846	78%	0.783	S	S	*	*			trans	-178.2	123.8	132.2	-101.8	179	-171.5	0	0	113
139	E	25.8	Very low	31	Very low	181 Å²	181	159.6 Å²	159.6	85%	0.846	79%	0.785	S	S	*	*			trans	61.5	137.4	133.9	-66.8	-85.7	143.8	0	0	122.6
140	V	32.3	Very low	30.7	Very low	120 Å²	120	160.8 Å²	160.8	73%	0.727	79%	0.786	S	S	*	*			trans	-85.3	132.5	-169.4	171.9	0	0	0	0	111.9
141	V	28.8	Very low	30.6	Very low	146 Å²	146	158.5 Å²	158.5	89%	0.885	79%	0.785	S	S	*	*			trans	-149.4	139.3	141.1	-169.2	0	0	0	0	111.4
142	K	27.7	Very low	30.4	Very low	167 Å²	167	159.1 Å²	159.1	73%	0.726	79%	0.785	S	S	*	*			trans	-76.6	152.4	-177	-56.9	170.5	174.8	174.9	0	113.3
143	D	27.4	Very low	29.7	Very low	119 Å²	119	158.5 Å²	158.5	64%	0.636	78%	0.782	S	S	*	*				152.9	131.5	116.2	-77.8	-37.3	0	0	0	115.1
144	E	27.8	Very low	29.1	Very low	159 Å²	159	156.3 Å²	156.3	74%	0.743	78%	0.775	S	S	*	*			trans	56.6	115.9	139.9	-56.9	-174.5	165.3	0	0	123.4
145	D	26.1	Very low	29	Very low	148 Å²	148	153 Å²	153	79%	0.791	77%	0.768	S	S	*	*				25.6	144.7	127.7	-86.5	-53	0	0	0	125.4
146	E	29.7	Very low	28.3	Very low	169 Å²	169	153.5 Å²	153.5	79%	0.79	77%	0.77	S	S	*	*			trans	141.7	91.5	136	-81.1	-85.9	147.1	0	0	114.2
147	N	28.4	Very low	28.2	Very low	132 Å²	132	151.6 Å²	151.6	71%	0.706	76%	0.763	S	S	*	*				52.6	124.7	117.6	-149.2	26.9	0	0	0	124.6
148	S	30.4	Very low	27.8	Very low	75 Å²	75	149.9 Å²	149.9	52%	0.524	76%	0.755	S	S	.	*			trans	84.2	125.4	132.5	74.5	0	0	0	0	123.6
149	K	30.7	Very low	27.7	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	76%	0.757	S	S	*	*				145	110.4	112.5	-71.9	-171.4	-172.6	169.1	0	115.2
150	E	27.1	Very low	28.1	Very low	169 Å²	169	146.6 Å²	146.6	79%	0.79	75%	0.752	S	S	*	*			trans	-4.1	155	131.7	-75.5	174.8	149.7	0	0	118.6
151	A	29.1	Very low	27.9	Very low	65 Å²	65	147.6 Å²	147.6	54%	0.537	75%	0.752	S	S	.	*			cis	-178.6	178.5	5.7	0	0	0	0	0	111.2
152	K	29.1	Very low	28.5	Very low	208 Å²	208	149.8 Å²	149.8	90%	0.904	75%	0.75	S	S	*	*			trans	88.2	152.7	153.2	-50.8	175.5	-176	177.9	0	117.9
153	H	24.8	Very low	28.9	Very low	151 Å²	151	149.2 Å²	149.2	70%	0.699	75%	0.747	S	S	*	*			cis	-179.4	168.3	-40.3	179.6	45.5	0	0	0	105.9
154	L	26.8	Very low	29.8	Very low	141 Å²	141	151.3 Å²	151.3	74%	0.738	75%	0.753	S	S	*	*			trans	89.7	108.2	168.6	-51.4	166.5	0	0	0	114.3
155	V	30.2	Very low	31.1	Very low	123 Å²	123	147.8 Å²	147.8	75%	0.745	74%	0.739	S	S	*	*				63.3	107.5	58.2	-170.9	0	0	0	0	113.8
156	E	23.2	Very low	33	Very low	200 Å²	200	143.5 Å²	143.5	94%	0.935	71%	0.714	S	S	*	*			trans	-158.2	156.5	140.6	-136.9	167.2	-170.7	0	0	111.7
157	M	26.7	Very low	34.1	Very low	150 Å²	150	139.2 Å²	139.2	74%	0.739	70%	0.701	S	S	*	*			trans	-115.9	156.9	-151.6	-171	167.5	76.1	0	0	111.3
158	E	26.4	Very low	35.4	Very low	153 Å²	153	133.3 Å²	133.3	72%	0.715	67%	0.67	S	S	*	*			trans	68.2	127.1	159.1	-85.1	166.2	161.8	0	0	120.5
159	L	24	Very low	36.7	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	69%	0.686	S	S	*	*				-167.8	120.6	106.2	-91	173.8	0	0	0	110.6
160	V	33.8	Very low	37.5	Very low	124 Å²	124	134.4 Å²	134.4	75%	0.752	68%	0.678	S	S	*	*			trans	-76.8	126.4	171.5	172.7	0	0	0	0	109.2
161	I	27.6	Very low	38.5	Very low	141 Å²	141	128.4 Å²	128.4	72%	0.723	65%	0.654	S	S	*	*			trans	-130	110.2	156.6	-56.8	179.3	0	0	0	107.1	K163	I161-K163 PolarHBondContact O-N 2.94Å
162	K	41.8	Very low	39.7	Very low	192 Å²	192	135.3 Å²	135.3	84%	0.835	68%	0.675	S	S	*	*			trans	-58.7	128	170.3	-66.8	177	176.6	179.8	0	108.8
163	K	36.2	Very low	40.4	Very low	156 Å²	156	127.8 Å²	127.8	68%	0.678	65%	0.649	S	S	*	*			trans	-126.2	112.6	159.7	-72.8	-167.3	177.2	-176.5	0	107.7	I161	I161-K163 PolarHBondContact O-N 2.94Å
164	E	45.6	Very low	41.7	Very low	162 Å²	162	123.8 Å²	123.8	76%	0.757	64%	0.638	S	S	*	*			trans	-71.5	126.3	169	-72.6	170.6	153.5	0	0	107.5	H166	E164-H166 PolarHBondContact O-CD2 2.93Å
165	D	56.1	Low	43.8	Very low	85 Å²	85	119 Å²	119	46%	0.455	61%	0.611	S	S	.	*			trans	-80.1	132.8	175.3	-68.5	-41.1	0	0	0	108.7	P167 F175	D165-P167 VanDerWaalsContact O-CD 3.23Å; D165-P167 WeakPolarHBondContact O-CD 3.36Å; D165-F175 CarbonylContact C-O 3.53Å
166	H	64.3	Low	44.9	Very low	58 Å²	58	116.4 Å²	116.4	27%	0.269	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.8	103	177.1	-62.8	-94.6	0	0	0	109.8	E164 F175 S177 E178 L181	E164-H166 PolarHBondContact O-CD2 2.93Å; H166-F175 PolarHBondContact N-O 3.4Å; H166-F175 PolarHBondContact O-N 2.85Å; H166-S177 VanDerWaalsContact CD2-CA 3.48Å; H166-S177 WeakPolarHBondContact CD2-CA 3.47Å; H166-E178 PolarHBondContact CD2-N 3.03Å; H166-E178 PolarHBondContact NE2-N 3.46Å; H166-L181 HydrophobicContact CB-CB 4.07Å; H166-L181 HydrophobicContact CB-CD2 3.66Å; H166-L181 HydrophobicContact CB-CG 4.45Å
167	P	52.8	Low	46.9	Very low	79 Å²	79	108.5 Å²	108.5	51%	0.513	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	141	-178.5	31.4	-34.8	0	0	0	112.2	D165	D165-P167 VanDerWaalsContact O-CD 3.23Å; D165-P167 WeakPolarHBondContact O-CD 3.36Å
168	C	56.1	Low	48.6	Very low	8 Å²	8	107.9 Å²	107.9	5%	0.054	56%	0.559	C	S	.	*			trans	-75.7	130.4	169.3	179.9	0	0	0	0	109.9	L170 S173 F175 L181 H184 L185 H189	C168-L170 VanDerWaalsContact C-N 3.26Å; C168-L170 PolarHBondContact O-N 3.19Å; C168-L170 PolarHBondContact SG-N 3.34Å; C168-L170 VanDerWaalsContact SG-N 3.43Å; C168-S173 WeakPolarHBondContact CB-O 3.46Å; C168-S173 PolarHBondContact N-O 3.21Å; C168-F175 HydrophobicContact CB-CE2 4.47Å; C168-L181 HydrophobicContact CB-CD1 3.7Å; C168-H184 VanDerWaalsContact CB-NE2 3.29Å; C168-H184 WeakPolarHBondContact CB-NE2 3.44Å; C168-H184 PolarHBondContact SG-NE2 3.35Å; C168-L185 WeakPolarHBondContact SG-CD2 3.47Å; C168-H189 VanDerWaalsContact SG-CD2 3.53Å; C168-H189 PolarHBondContact SG-NE2 3.37Å; C168-H189 VanDerWaalsContact SG-NE2 3.45Å
169	L	57.6	Low	50.4	Low	165 Å²	165	108.6 Å²	108.6	86%	0.864	56%	0.562	S	S	*	*	S	Bend	trans	-85.1	-0.5	-179.5	-58.2	178.1	0	0	0	113.4
170	L	49	Very low	52.1	Low	124 Å²	124	104.3 Å²	104.3	65%	0.649	54%	0.539	S	S	*	.	S	Bend	trans	-112.9	-8	-177.4	-60	174.4	0	0	0	112.7	C168 L185 H189	C168-L170 VanDerWaalsContact C-N 3.26Å; C168-L170 PolarHBondContact O-N 3.19Å; C168-L170 PolarHBondContact SG-N 3.34Å; C168-L170 VanDerWaalsContact SG-N 3.43Å; L170-L185 HydrophobicContact CD1-CD2 4.36Å; L170-H189 HydrophobicContact CD1-CB 3.7Å
171	C	47.3	Very low	53.6	Low	42 Å²	42	99.4 Å²	99.4	28%	0.284	51%	0.509	S	S	.	.	S	Bend	trans	-157.6	166.7	172.4	74.6	0	0	0	0	110.9	S173 H184 H189	C171-S173 PolarHBondContact O-N 3.37Å; C171-S173 PolarHBondContact SG-OG 3.16Å; C171-H184 PolarHBondContact SG-CE1 3.03Å; C171-H184 PolarHBondContact SG-NE2 2.64Å; C171-H184 VanDerWaalsContact SG-NE2 3.36Å; C171-H189 PolarHBondContact SG-NE2 3.19Å
172	E	53.6	Low	55.4	Low	210 Å²	210	94.8 Å²	94.8	98%	0.981	49%	0.492	S	S	*	.	S	Bend	trans	-76.3	22.4	-174.5	-59.5	173.2	-179.7	0	0	114.3
173	S	45.4	Very low	56.4	Low	50 Å²	50	88.2 Å²	88.2	35%	0.35	47%	0.473	S	S	.	.			trans	-96.4	137.7	-178.2	-49.7	0	0	0	0	111.7	C168 C171	C168-S173 WeakPolarHBondContact CB-O 3.46Å; C168-S173 PolarHBondContact N-O 3.21Å; C171-S173 PolarHBondContact O-N 3.37Å; C171-S173 PolarHBondContact SG-OG 3.16Å
174	S	52.2	Low	57.7	Low	68 Å²	68	81.3 Å²	81.3	48%	0.476	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.6	169.9	84	0	0	0	0	112.4
175	F	70.8	Confident	58.3	Low	40 Å²	40	76.3 Å²	76.3	18%	0.175	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.8	-172.5	-61.2	-82	0	0	0	112.3	D165 H166 C168 S177 I180 L181 H184	D165-F175 CarbonylContact C-O 3.53Å; H166-F175 PolarHBondContact N-O 3.4Å; H166-F175 PolarHBondContact O-N 2.85Å; C168-F175 HydrophobicContact CB-CE2 4.47Å; F175-S177 PolarHBondContact O-N 2.79Å; F175-I180 HydrophobicContact CB-CB 4.29Å; F175-I180 HydrophobicContact CB-CG2 4.01Å; F175-I180 HydrophobicContact CD1-CG2 3.55Å; F175-I180 HydrophobicContact CE1-CG2 4.45Å; F175-I180 HydrophobicContact CG-CG2 4.05Å; F175-L181 HydrophobicContact CB-CB 4.18Å; F175-L181 HydrophobicContact CD2-CB 4.23Å; F175-L181 HydrophobicContact CD2-CD1 3.68Å; F175-L181 HydrophobicContact CE2-CD1 4.19Å; F175-H184 HydrophobicContact CD2-CB 4.14Å; F175-H184 HydrophobicContact CE1-CB 4.05Å; F175-H184 HydrophobicContact CE2-CB 3.67Å; F175-H184 AromaticContact CE2-CD2 3.3Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.45Å; F175-H184 AromaticContact CE2-CE1 3.66Å; F175-H184 AromaticContact CE2-CG 3.17Å; F175-H184 AromaticContact CE2-ND1 3.42Å; F175-H184 WeakPolarHBondContact CE2-ND1 3.49Å; F175-H184 AromaticContact CE2-NE2 3.6Å; F175-H184 HydrophobicContact CZ-CB 3.63Å; F175-H184 AromaticContact CZ-CD2 3.85Å; F175-H184 AromaticContact CZ-CE1 3.6Å; F175-H184 AromaticContact CZ-CG 3.24Å; F175-H184 AromaticContact CZ-ND1 3.09Å; F175-H184 WeakPolarHBondContact CZ-ND1 3.41Å
176	P	52.5	Low	58.5	Low	68 Å²	68	78.5 Å²	78.5	44%	0.442	43%	0.429	S	S	.	.	S	Bend	trans	-79.6	0.3	-171.8	32.1	-36.2	0	0	0	114.3	I180	P176-I180 HydrophobicContact CG-CD1 4Å
177	S	64.5	Low	58	Low	34 Å²	34	79.2 Å²	79.2	24%	0.238	44%	0.44	C	S	.	.	S	Bend	trans	-156.9	154.4	172.4	72	0	0	0	0	111.5	H166 F175 E179 I180 L181	H166-S177 VanDerWaalsContact CD2-CA 3.48Å; H166-S177 WeakPolarHBondContact CD2-CA 3.47Å; F175-S177 PolarHBondContact O-N 2.79Å; S177-E179 VanDerWaalsContact C-N 3.28Å; S177-E179 PolarHBondContact O-N 3.43Å; S177-I180 PolarHBondContact O-N 3.43Å; S177-I180 WeakPolarHBondContact OG-CG1 3.23Å; S177-I180 PolarHBondContact OG-N 2.77Å; S177-L181 PolarHBondContact O-N 3.07Å
178	E	62.2	Low	58	Low	138 Å²	138	79.2 Å²	79.2	65%	0.645	44%	0.436	S	S	*	.	H	α-helix	trans	-60.4	-34.9	176.8	-166.4	173.3	175.7	0	0	112.6	H166 I180 L181 A182	H166-E178 PolarHBondContact CD2-N 3.03Å; H166-E178 PolarHBondContact NE2-N 3.46Å; E178-I180 PolarHBondContact O-N 2.8Å; E178-L181 PolarHBondContact O-N 2.82Å; E178-A182 VanDerWaalsContact O-CB 3.29Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.77Å
179	E	64.1	Low	58	Low	167 Å²	167	81.5 Å²	81.5	78%	0.78	45%	0.445	S	S	*	.	H	α-helix	trans	-63.6	-39.1	175.4	-73.3	179.8	161.4	0	0	112.7	S177 A182 A183	S177-E179 VanDerWaalsContact C-N 3.28Å; S177-E179 PolarHBondContact O-N 3.43Å; E179-A182 PolarHBondContact O-N 3.25Å; E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.18Å
180	I	60	Low	57.4	Low	79 Å²	79	79.4 Å²	79.4	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-75.4	-37.2	178.3	-63.3	169.9	0	0	0	110	F175 P176 S177 E178 A182 A183 H184	F175-I180 HydrophobicContact CB-CB 4.29Å; F175-I180 HydrophobicContact CB-CG2 4.01Å; F175-I180 HydrophobicContact CD1-CG2 3.55Å; F175-I180 HydrophobicContact CE1-CG2 4.45Å; F175-I180 HydrophobicContact CG-CG2 4.05Å; P176-I180 HydrophobicContact CG-CD1 4Å; S177-I180 PolarHBondContact O-N 3.43Å; S177-I180 WeakPolarHBondContact OG-CG1 3.23Å; S177-I180 PolarHBondContact OG-N 2.77Å; E178-I180 PolarHBondContact O-N 2.8Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-A183 PolarHBondContact O-N 2.91Å; I180-H184 VanDerWaalsContact O-CB 3.29Å; I180-H184 WeakPolarHBondContact O-CB 3.27Å; I180-H184 PolarHBondContact O-N 3.47Å
181	L	67.1	Low	57.1	Low	22 Å²	22	84.2 Å²	84.2	12%	0.115	44%	0.441	C	S	.	.	H	α-helix	trans	-61.6	-41.4	170.2	176.4	63.1	0	0	0	110.8	H166 C168 F175 S177 E178 H184 L185	H166-L181 HydrophobicContact CB-CB 4.07Å; H166-L181 HydrophobicContact CB-CD2 3.66Å; H166-L181 HydrophobicContact CB-CG 4.45Å; C168-L181 HydrophobicContact CB-CD1 3.7Å; F175-L181 HydrophobicContact CB-CB 4.18Å; F175-L181 HydrophobicContact CD2-CB 4.23Å; F175-L181 HydrophobicContact CD2-CD1 3.68Å; F175-L181 HydrophobicContact CE2-CD1 4.19Å; S177-L181 PolarHBondContact O-N 3.07Å; E178-L181 PolarHBondContact O-N 2.82Å; L181-H184 WeakPolarHBondContact O-CB 3.39Å; L181-H184 PolarHBondContact O-N 3.41Å; L181-L185 HydrophobicContact CD1-CD1 4.17Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CD2-CD1 4.49Å; L181-L185 HydrophobicContact CG-CD1 3.94Å; L181-L185 HydrophobicContact CG-CG 4.28Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 2.77Å
182	A	65.3	Low	56.7	Low	44 Å²	44	87.3 Å²	87.3	36%	0.364	46%	0.46	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.9	0	0	0	0	0	111.8	E178 E179 I180 L185 Q186	E178-A182 VanDerWaalsContact O-CB 3.29Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.77Å; E179-A182 PolarHBondContact O-N 3.25Å; I180-A182 VanDerWaalsContact C-N 3.32Å; A182-L185 PolarHBondContact O-N 2.86Å; A182-Q186 WeakPolarHBondContact O-CB 3.31Å; A182-Q186 WeakPolarHBondContact O-CG 3.34Å; A182-Q186 PolarHBondContact O-N 2.79Å
183	A	61.7	Low	56.1	Low	53 Å²	53	82.1 Å²	82.1	44%	0.438	45%	0.447	S	S	.	.	H	α-helix	trans	-65.2	-37.9	172.8	0	0	0	0	0	112.3	E179 I180 S187	E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.18Å; I180-A183 PolarHBondContact O-N 2.91Å; A183-S187 WeakPolarHBondContact O-CB 3.29Å; A183-S187 PolarHBondContact O-N 3.24Å; A183-S187 PolarHBondContact O-OG 3.46Å
184	H	64.7	Low	55.9	Low	11 Å²	11	85.3 Å²	85.3	5%	0.051	46%	0.464	C	S	.	.	H	α-helix	trans	-63.6	-46.2	172.6	162.3	82.8	0	0	0	111.8	C168 C171 F175 I180 L181 S187 L188 H189	C168-H184 VanDerWaalsContact CB-NE2 3.29Å; C168-H184 WeakPolarHBondContact CB-NE2 3.44Å; C168-H184 PolarHBondContact SG-NE2 3.35Å; C171-H184 PolarHBondContact SG-CE1 3.03Å; C171-H184 PolarHBondContact SG-NE2 2.64Å; C171-H184 VanDerWaalsContact SG-NE2 3.36Å; F175-H184 HydrophobicContact CD2-CB 4.14Å; F175-H184 HydrophobicContact CE1-CB 4.05Å; F175-H184 HydrophobicContact CE2-CB 3.67Å; F175-H184 AromaticContact CE2-CD2 3.3Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.45Å; F175-H184 AromaticContact CE2-CE1 3.66Å; F175-H184 AromaticContact CE2-CG 3.17Å; F175-H184 AromaticContact CE2-ND1 3.42Å; F175-H184 WeakPolarHBondContact CE2-ND1 3.49Å; F175-H184 AromaticContact CE2-NE2 3.6Å; F175-H184 HydrophobicContact CZ-CB 3.63Å; F175-H184 AromaticContact CZ-CD2 3.85Å; F175-H184 AromaticContact CZ-CE1 3.6Å; F175-H184 AromaticContact CZ-CG 3.24Å; F175-H184 AromaticContact CZ-ND1 3.09Å; F175-H184 WeakPolarHBondContact CZ-ND1 3.41Å; I180-H184 VanDerWaalsContact O-CB 3.29Å; I180-H184 WeakPolarHBondContact O-CB 3.27Å; I180-H184 PolarHBondContact O-N 3.47Å; L181-H184 WeakPolarHBondContact O-CB 3.39Å; L181-H184 PolarHBondContact O-N 3.41Å; H184-S187 WeakPolarHBondContact CA-OG 3.35Å; H184-S187 PolarHBondContact O-N 2.92Å; H184-S187 PolarHBondContact O-OG 2.79Å; H184-L188 WeakPolarHBondContact O-CB 3.36Å; H184-L188 PolarHBondContact O-N 2.82Å; H184-H189 AromaticContact CD2-CD2 3.84Å; H184-H189 AromaticContact CE1-CD2 3.89Å; H184-H189 AromaticContact CE1-NE2 3.54Å; H184-H189 AromaticContact NE2-CD2 3.32Å; H184-H189 PolarHBondContact NE2-CD2 3.47Å; H184-H189 VanDerWaalsContact NE2-CD2 3.32Å; H184-H189 AromaticContact NE2-NE2 3.17Å; H184-H189 PolarHBondContact NE2-NE2 3.36Å; H184-H189 VanDerWaalsContact NE2-NE2 3.17Å
185	L	57.9	Low	55.7	Low	58 Å²	58	90.9 Å²	90.9	30%	0.304	48%	0.483	S	S	.	.	I	π-helix	trans	-63.9	-41.7	177	-71	171.7	0	0	0	110.8	C168 L170 L181 A182 H189 Q190	C168-L185 WeakPolarHBondContact SG-CD2 3.47Å; L170-L185 HydrophobicContact CD1-CD2 4.36Å; L181-L185 HydrophobicContact CD1-CD1 4.17Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CD2-CD1 4.49Å; L181-L185 HydrophobicContact CG-CD1 3.94Å; L181-L185 HydrophobicContact CG-CG 4.28Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.44Å; L181-L185 PolarHBondContact O-N 2.77Å; A182-L185 PolarHBondContact O-N 2.86Å; L185-H189 HydrophobicContact CD2-CB 4.12Å; L185-H189 CarbonylContact O-C 3.55Å; L185-H189 VanDerWaalsContact O-C 3.31Å; L185-H189 WeakPolarHBondContact O-CA 3.43Å; L185-H189 WeakPolarHBondContact O-CB 3.41Å; L185-H189 PolarHBondContact O-N 2.57Å; L185-Q190 PolarHBondContact O-N 2.98Å
186	Q	60.3	Low	54.4	Low	131 Å²	131	97.4 Å²	97.4	61%	0.612	51%	0.514	S	S	*	.	I	π-helix	trans	-68.1	-36	175.3	-77	-175.5	-9.9	0	0	113.6	A182 Q190	A182-Q186 WeakPolarHBondContact O-CB 3.31Å; A182-Q186 WeakPolarHBondContact O-CG 3.34Å; A182-Q186 PolarHBondContact O-N 2.79Å; Q186-Q190 WeakPolarHBondContact O-CB 3.4Å
187	S	53.1	Low	54.2	Low	73 Å²	73	102.2 Å²	102.2	51%	0.51	53%	0.528	S	S	.	.	I	π-helix	trans	-84.6	-29.1	-176.6	58.2	0	0	0	0	114.5	A183 H184	A183-S187 WeakPolarHBondContact O-CB 3.29Å; A183-S187 PolarHBondContact O-N 3.24Å; A183-S187 PolarHBondContact O-OG 3.46Å; H184-S187 WeakPolarHBondContact CA-OG 3.35Å; H184-S187 PolarHBondContact O-N 2.92Å; H184-S187 PolarHBondContact O-OG 2.79Å
188	L	53.8	Low	53.8	Low	79 Å²	79	106.7 Å²	106.7	41%	0.414	55%	0.545	S	S	.	.	I	π-helix	trans	-121.3	-21.7	-172.3	-64.3	179.8	0	0	0	114.5	H184 V210	H184-L188 WeakPolarHBondContact O-CB 3.36Å; H184-L188 PolarHBondContact O-N 2.82Å; L188-V210 HydrophobicContact CD2-CG1 4.3Å; L188-V210 HydrophobicContact CD2-CG2 3.92Å
189	H	55.2	Low	53.6	Low	55 Å²	55	103.6 Å²	103.6	26%	0.255	53%	0.53	S	S	.	.	I	π-helix	trans	-122.7	-13.9	-173.4	-63.9	-65.9	0	0	0	115.1	C168 L170 C171 H184 L185 R191	C168-H189 VanDerWaalsContact SG-CD2 3.53Å; C168-H189 PolarHBondContact SG-NE2 3.37Å; C168-H189 VanDerWaalsContact SG-NE2 3.45Å; L170-H189 HydrophobicContact CD1-CB 3.7Å; C171-H189 PolarHBondContact SG-NE2 3.19Å; H184-H189 AromaticContact CD2-CD2 3.84Å; H184-H189 AromaticContact CE1-CD2 3.89Å; H184-H189 AromaticContact CE1-NE2 3.54Å; H184-H189 AromaticContact NE2-CD2 3.32Å; H184-H189 PolarHBondContact NE2-CD2 3.47Å; H184-H189 VanDerWaalsContact NE2-CD2 3.32Å; H184-H189 AromaticContact NE2-NE2 3.17Å; H184-H189 PolarHBondContact NE2-NE2 3.36Å; H184-H189 VanDerWaalsContact NE2-NE2 3.17Å; L185-H189 HydrophobicContact CD2-CB 4.12Å; L185-H189 CarbonylContact O-C 3.55Å; L185-H189 VanDerWaalsContact O-C 3.31Å; L185-H189 WeakPolarHBondContact O-CA 3.43Å; L185-H189 WeakPolarHBondContact O-CB 3.41Å; L185-H189 PolarHBondContact O-N 2.57Å; H189-R191 PolarHBondContact O-N 2.94Å
190	Q	44.9	Very low	53.2	Low	121 Å²	121	101.8 Å²	101.8	57%	0.565	52%	0.519	S	S	*	.			trans	-69.1	119.2	173.3	-169.6	164.1	29.4	0	0	108.5	L185 Q186 P192	L185-Q190 PolarHBondContact O-N 2.98Å; Q186-Q190 WeakPolarHBondContact O-CB 3.4Å; Q190-P192 WeakPolarHBondContact O-CD 3.23Å
191	R	43	Very low	53	Low	226 Å²	226	98.1 Å²	98.1	85%	0.853	50%	0.5	S	S	*	.			trans	-65	123.8	163.3	-74.5	-178.8	177.3	170.2	-0.1	107	H189 S193	H189-R191 PolarHBondContact O-N 2.94Å; R191-S193 PolarHBondContact O-N 2.86Å
192	P	39.2	Very low	52.3	Low	107 Å²	107	109 Å²	109	70%	0.695	54%	0.54	S	S	*	.			trans	-60.6	115.6	162.3	-11.5	25.9	0	0	0	106.4	Q190 T194	Q190-P192 WeakPolarHBondContact O-CD 3.23Å; P192-T194 PolarHBondContact O-N 3.44Å
193	S	39.5	Very low	51.7	Low	101 Å²	101	110.7 Å²	110.7	71%	0.706	54%	0.543	S	S	*	.	S	Bend	trans	-59.2	127.4	151.5	177.4	0	0	0	0	105.9	R191	R191-S193 PolarHBondContact O-N 2.86Å
194	T	42.2	Very low	51.4	Low	116 Å²	116	110.4 Å²	110.4	71%	0.712	54%	0.537	S	S	*	.	S	Bend	trans	61.7	104.2	162.5	51.7	0	0	0	0	116.1	P192	P192-T194 PolarHBondContact O-N 3.44Å
195	E	48.4	Very low	50.6	Low	186 Å²	186	111.4 Å²	111.4	87%	0.869	55%	0.55	S	S	*	*			trans	59	95	156	-59.1	-179.2	163.7	0	0	116.8
196	E	43.8	Very low	50.2	Low	177 Å²	177	114.5 Å²	114.5	83%	0.827	56%	0.561	S	S	*	*				171.1	135.3	125.3	-92.8	-170.5	142.9	0	0	115.2
197	K	48.3	Very low	50	Low	169 Å²	169	114.1 Å²	114.1	74%	0.735	56%	0.558	S	S	*	*			trans	56.5	84	152.8	-118.1	169.7	-172.5	164.8	0	120.8
198	E	56	Low	50.4	Low	127 Å²	127	112.4 Å²	112.4	59%	0.593	54%	0.541	S	S	*	.			trans	-66.7	135.6	158.6	-55.7	179.2	125.4	0	0	111.7	K207	E198-K207 IonicContact OE1-NZ 3.24Å; E198-K207 WeakPolarHBondContact OE2-CD 3.48Å; E198-K207 WeakPolarHBondContact OE2-CE 3.42Å; E198-K207 IonicContact OE2-NZ 3.12Å; E198-K207 PolarHBondContact OE2-NZ 3.48Å
199	F	57.2	Low	49.9	Very low	73 Å²	73	113.6 Å²	113.6	32%	0.32	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	106.8	177.4	-64.1	-86.7	0	0	0	110.5	F208 K211 L214	F199-F208 PolarHBondContact N-O 2.8Å; F199-F208 PolarHBondContact O-N 3.32Å; F199-K211 HydrophobicContact CD1-CB 4.23Å; F199-K211 HydrophobicContact CD1-CG 4.46Å; F199-K211 HydrophobicContact CE1-CB 4.1Å; F199-K211 HydrophobicContact CE1-CG 4.41Å; F199-K211 HydrophobicContact CE2-CB 4.4Å; F199-K211 HydrophobicContact CG-CB 4.44Å; F199-K211 HydrophobicContact CZ-CB 4.19Å; F199-L214 HydrophobicContact CB-CB 4.45Å; F199-L214 HydrophobicContact CB-CD2 3.96Å
200	K	56.2	Low	49.6	Very low	130 Å²	130	112.7 Å²	112.7	57%	0.565	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94	131.6	-177.7	-170.6	179.7	176.3	-176.7	0	111.9	R202 G205 K207	K200-R202 PolarHBondContact O-N 2.85Å; K200-G205 VanDerWaalsContact CE-O 3.24Å; K200-G205 WeakPolarHBondContact CE-O 3.43Å; K200-G205 WeakPolarHBondContact CG-O 3.41Å; K200-K207 HydrophobicContact CB-CG 4.35Å; K200-K207 HydrophobicContact CG-CG 4.21Å
201	C	56	Low	49.8	Very low	1 Å²	1	113.1 Å²	113.1	1%	0.007	55%	0.552	C	S	.	*			trans	-67	124.4	168	-177.9	0	0	0	0	110.1	N203 C204 G205 K206 F208 L214 H217	C201-N203 VanDerWaalsContact C-N 3.32Å; C201-N203 PolarHBondContact SG-N 3.35Å; C201-C204 VanDerWaalsContact SG-SG 3.69Å; C201-G205 WeakPolarHBondContact O-CA 3.34Å; C201-G205 PolarHBondContact O-N 3.04Å; C201-K206 WeakPolarHBondContact CB-O 3.49Å; C201-K206 PolarHBondContact N-O 3.39Å; C201-F208 HydrophobicContact CB-CE2 4.11Å; C201-L214 HydrophobicContact CB-CD1 3.56Å; C201-H217 VanDerWaalsContact SG-CD2 3.59Å; C201-H217 PolarHBondContact SG-NE2 2.84Å; C201-H217 VanDerWaalsContact SG-NE2 3.37Å
202	R	51.3	Low	50.1	Low	251 Å²	251	108.6 Å²	108.6	95%	0.947	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.8	176.3	-95.1	-179.6	174	167.6	-2.8	113.1	K200	K200-R202 PolarHBondContact O-N 2.85Å
203	N	53	Low	50.6	Low	80 Å²	80	105 Å²	105	43%	0.428	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-39.8	-176.4	-62.8	56.3	0	0	0	113.2	C201	C201-N203 VanDerWaalsContact C-N 3.32Å; C201-N203 PolarHBondContact SG-N 3.35Å
204	C	54.8	Low	51.1	Low	46 Å²	46	101.5 Å²	101.5	31%	0.311	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-1	-177.7	74.6	0	0	0	0	114.3	C201 K206 H217	C201-C204 VanDerWaalsContact SG-SG 3.69Å; C204-K206 VanDerWaalsContact C-N 3.26Å; C204-K206 PolarHBondContact O-N 2.73Å; C204-H217 VanDerWaalsContact SG-CE1 3.53Å; C204-H217 PolarHBondContact SG-NE2 2.87Å
205	G	48.3	Very low	51.5	Low	32 Å²	32	101 Å²	101	33%	0.33	48%	0.483	S	S	.	.			trans	77.1	-3.2	177	0	0	0	0	0	116.4	K200 C201	K200-G205 VanDerWaalsContact CE-O 3.24Å; K200-G205 WeakPolarHBondContact CE-O 3.43Å; K200-G205 WeakPolarHBondContact CG-O 3.41Å; C201-G205 WeakPolarHBondContact O-CA 3.34Å; C201-G205 PolarHBondContact O-N 3.04Å
206	K	48.8	Very low	51.6	Low	123 Å²	123	101 Å²	101	54%	0.535	48%	0.475	S	S	.	.			trans	-64.7	135.2	179.2	-71.2	178.4	-179.2	172.8	0	111.5	C201 C204 F208	C201-K206 WeakPolarHBondContact CB-O 3.49Å; C201-K206 PolarHBondContact N-O 3.39Å; C204-K206 VanDerWaalsContact C-N 3.26Å; C204-K206 PolarHBondContact O-N 2.73Å; K206-F208 HydrophobicContact CB-CE2 3.67Å; K206-F208 HydrophobicContact CB-CZ 3.81Å; K206-F208 WeakPolarHBondContact O-CD2 3.37Å; K206-F208 VanDerWaalsContact O-CE2 3.28Å; K206-F208 WeakPolarHBondContact O-CE2 3.41Å
207	K	56.5	Low	52.2	Low	123 Å²	123	94.5 Å²	94.5	54%	0.535	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.9	-179.7	-64.8	179	172.9	-167.1	0	110.4	E198 K200	E198-K207 IonicContact OE1-NZ 3.24Å; E198-K207 WeakPolarHBondContact OE2-CD 3.48Å; E198-K207 WeakPolarHBondContact OE2-CE 3.42Å; E198-K207 IonicContact OE2-NZ 3.12Å; E198-K207 PolarHBondContact OE2-NZ 3.48Å; K200-K207 HydrophobicContact CB-CG 4.35Å; K200-K207 HydrophobicContact CG-CG 4.21Å
208	F	61.5	Low	52.4	Low	38 Å²	38	89.8 Å²	89.8	17%	0.167	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.1	-178.3	-61.3	-86.9	0	0	0	110	F199 C201 K206 V210 A213 L214 H217	F199-F208 PolarHBondContact N-O 2.8Å; F199-F208 PolarHBondContact O-N 3.32Å; C201-F208 HydrophobicContact CB-CE2 4.11Å; K206-F208 HydrophobicContact CB-CE2 3.67Å; K206-F208 HydrophobicContact CB-CZ 3.81Å; K206-F208 WeakPolarHBondContact O-CD2 3.37Å; K206-F208 VanDerWaalsContact O-CE2 3.28Å; K206-F208 WeakPolarHBondContact O-CE2 3.41Å; F208-V210 VanDerWaalsContact C-N 3.25Å; F208-V210 PolarHBondContact O-N 3.47Å; F208-A213 HydrophobicContact CB-CB 4.28Å; F208-A213 HydrophobicContact CD1-CB 4.05Å; F208-A213 HydrophobicContact CG-CB 4.48Å; F208-L214 HydrophobicContact CB-CB 4.27Å; F208-L214 HydrophobicContact CD2-CB 4.07Å; F208-L214 HydrophobicContact CD2-CD1 3.78Å; F208-L214 HydrophobicContact CE2-CD1 3.99Å; F208-L214 HydrophobicContact CG-CB 4.29Å; F208-H217 HydrophobicContact CE1-CB 4.13Å; F208-H217 HydrophobicContact CE2-CB 4.2Å; F208-H217 AromaticContact CE2-CD2 3.58Å; F208-H217 AromaticContact CE2-CG 3.83Å; F208-H217 HydrophobicContact CZ-CB 3.7Å; F208-H217 AromaticContact CZ-CD2 3.62Å; F208-H217 AromaticContact CZ-CG 3.39Å; F208-H217 AromaticContact CZ-ND1 3.81Å
209	P	44.6	Very low	52.1	Low	104 Å²	104	91 Å²	91	68%	0.675	44%	0.439	S	S	*	.	S	Bend	trans	-71.8	-21.6	-178.8	28	-33.7	0	0	0	112.4
210	V	48.7	Very low	51.5	Low	36 Å²	36	95.6 Å²	95.6	22%	0.218	46%	0.461	C	S	.	.	S	Bend	trans	-138.5	144.7	-177.7	-64.7	0	0	0	0	112.4	L188 F208 Q212 A213 L214	L188-V210 HydrophobicContact CD2-CG1 4.3Å; L188-V210 HydrophobicContact CD2-CG2 3.92Å; F208-V210 VanDerWaalsContact C-N 3.25Å; F208-V210 PolarHBondContact O-N 3.47Å; V210-Q212 VanDerWaalsContact C-N 3.29Å; V210-Q212 PolarHBondContact O-N 3.17Å; V210-A213 HydrophobicContact CG2-CB 3.79Å; V210-A213 PolarHBondContact O-N 3.3Å; V210-L214 PolarHBondContact O-N 2.82Å
211	K	48.8	Very low	51.2	Low	129 Å²	129	90.6 Å²	90.6	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-58.8	-34	-175.8	-172.2	178.3	178.5	-177.6	0	113.9	F199 L214 Q215	F199-K211 HydrophobicContact CD1-CB 4.23Å; F199-K211 HydrophobicContact CD1-CG 4.46Å; F199-K211 HydrophobicContact CE1-CB 4.1Å; F199-K211 HydrophobicContact CE1-CG 4.41Å; F199-K211 HydrophobicContact CE2-CB 4.4Å; F199-K211 HydrophobicContact CG-CB 4.44Å; F199-K211 HydrophobicContact CZ-CB 4.19Å; K211-L214 WeakPolarHBondContact O-CB 3.2Å; K211-L214 PolarHBondContact O-N 2.85Å; K211-Q215 WeakPolarHBondContact O-CG 3.39Å; K211-Q215 PolarHBondContact O-N 2.97Å
212	Q	49.3	Very low	50.9	Low	131 Å²	131	96.1 Å²	96.1	61%	0.612	48%	0.481	S	S	*	.	H	α-helix	trans	-69.8	-34.3	179.9	-70.5	167.7	-8.4	0	0	112.6	V210 L214 Q215 R216	V210-Q212 VanDerWaalsContact C-N 3.29Å; V210-Q212 PolarHBondContact O-N 3.17Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-Q215 PolarHBondContact O-N 3.17Å; Q212-R216 PolarHBondContact O-N 3.17Å; Q212-R216 VanDerWaalsContact O-N 3.12Å
213	A	48.8	Very low	50.5	Low	31 Å²	31	91.2 Å²	91.2	26%	0.256	47%	0.469	S	S	.	.	H	α-helix	trans	-66.6	-39.6	174.3	0	0	0	0	0	110.8	F208 V210 H217	F208-A213 HydrophobicContact CB-CB 4.28Å; F208-A213 HydrophobicContact CD1-CB 4.05Å; F208-A213 HydrophobicContact CG-CB 4.48Å; V210-A213 HydrophobicContact CG2-CB 3.79Å; V210-A213 PolarHBondContact O-N 3.3Å; A213-H217 WeakPolarHBondContact O-CB 3.46Å; A213-H217 PolarHBondContact O-N 3.32Å; A213-H217 VanDerWaalsContact O-N 3.07Å
214	L	51.5	Low	49.9	Very low	29 Å²	29	91.5 Å²	91.5	15%	0.152	48%	0.477	C	S	.	.	H	α-helix	trans	-63	-43.5	172	175.9	62.7	0	0	0	112	F199 C201 F208 V210 K211 Q212 R216 H217 V218	F199-L214 HydrophobicContact CB-CB 4.45Å; F199-L214 HydrophobicContact CB-CD2 3.96Å; C201-L214 HydrophobicContact CB-CD1 3.56Å; F208-L214 HydrophobicContact CB-CB 4.27Å; F208-L214 HydrophobicContact CD2-CB 4.07Å; F208-L214 HydrophobicContact CD2-CD1 3.78Å; F208-L214 HydrophobicContact CE2-CD1 3.99Å; F208-L214 HydrophobicContact CG-CB 4.29Å; V210-L214 PolarHBondContact O-N 2.82Å; K211-L214 WeakPolarHBondContact O-CB 3.2Å; K211-L214 PolarHBondContact O-N 2.85Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 2.89Å; L214-H217 WeakPolarHBondContact O-CB 3.09Å; L214-H217 PolarHBondContact O-N 2.78Å; L214-V218 HydrophobicContact CD1-CG2 3.82Å; L214-V218 HydrophobicContact CG-CG2 4.19Å; L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 3.44Å; L214-V218 PolarHBondContact O-N 2.75Å
215	Q	49.7	Very low	49.2	Very low	106 Å²	106	97.5 Å²	97.5	50%	0.495	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-43.7	179.3	-78.3	177.2	-32.8	0	0	112.6	K211 Q212 H217 V218 L219	K211-Q215 WeakPolarHBondContact O-CG 3.39Å; K211-Q215 PolarHBondContact O-N 2.97Å; Q212-Q215 PolarHBondContact O-N 3.17Å; Q215-H217 VanDerWaalsContact C-N 3.32Å; Q215-H217 PolarHBondContact O-N 2.82Å; Q215-V218 PolarHBondContact O-N 2.7Å; Q215-L219 WeakPolarHBondContact O-CG 3.29Å; Q215-L219 PolarHBondContact O-N 3.28Å; Q215-L219 VanDerWaalsContact O-N 3.17Å
216	R	50.2	Low	48.6	Very low	185 Å²	185	103 Å²	103	70%	0.698	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-38.8	176.3	-162.7	-177	-48.6	163.9	7.8	112	Q212 L214 L219	Q212-R216 PolarHBondContact O-N 3.17Å; Q212-R216 VanDerWaalsContact O-N 3.12Å; L214-R216 PolarHBondContact O-N 2.89Å; R216-L219 PolarHBondContact O-N 3.45Å
217	H	57.6	Low	48.5	Very low	40 Å²	40	102.3 Å²	102.3	19%	0.185	54%	0.535	C	S	.	.	H	α-helix	trans	-64.8	-44.5	175.7	169.9	70.4	0	0	0	111.9	C201 C204 F208 A213 L214 Q215 L219 H220 C221	C201-H217 VanDerWaalsContact SG-CD2 3.59Å; C201-H217 PolarHBondContact SG-NE2 2.84Å; C201-H217 VanDerWaalsContact SG-NE2 3.37Å; C204-H217 VanDerWaalsContact SG-CE1 3.53Å; C204-H217 PolarHBondContact SG-NE2 2.87Å; F208-H217 HydrophobicContact CE1-CB 4.13Å; F208-H217 HydrophobicContact CE2-CB 4.2Å; F208-H217 AromaticContact CE2-CD2 3.58Å; F208-H217 AromaticContact CE2-CG 3.83Å; F208-H217 HydrophobicContact CZ-CB 3.7Å; F208-H217 AromaticContact CZ-CD2 3.62Å; F208-H217 AromaticContact CZ-CG 3.39Å; F208-H217 AromaticContact CZ-ND1 3.81Å; A213-H217 WeakPolarHBondContact O-CB 3.46Å; A213-H217 PolarHBondContact O-N 3.32Å; A213-H217 VanDerWaalsContact O-N 3.07Å; L214-H217 WeakPolarHBondContact O-CB 3.09Å; L214-H217 PolarHBondContact O-N 2.78Å; Q215-H217 VanDerWaalsContact C-N 3.32Å; Q215-H217 PolarHBondContact O-N 2.82Å; H217-L219 VanDerWaalsContact C-N 3.28Å; H217-L219 PolarHBondContact O-N 3.11Å; H217-H220 CarbonylContact O-C 3.54Å; H217-H220 PolarHBondContact O-N 3.44Å; H217-H220 VanDerWaalsContact O-N 3.09Å; H217-C221 VanDerWaalsContact O-CB 3.27Å; H217-C221 WeakPolarHBondContact O-CB 3.42Å; H217-C221 PolarHBondContact O-N 2.6Å
218	V	52	Low	47.8	Very low	71 Å²	71	102.5 Å²	102.5	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-63.3	-33.8	179.2	171.3	0	0	0	0	111.9	L214 Q215 H220 C221	L214-V218 HydrophobicContact CD1-CG2 3.82Å; L214-V218 HydrophobicContact CG-CG2 4.19Å; L214-V218 VanDerWaalsContact O-CG2 3.27Å; L214-V218 WeakPolarHBondContact O-CG2 3.44Å; L214-V218 PolarHBondContact O-N 2.75Å; Q215-V218 PolarHBondContact O-N 2.7Å; V218-H220 PolarHBondContact O-N 2.94Å; V218-C221 PolarHBondContact O-N 3.39Å
219	L	49.5	Very low	46.7	Very low	151 Å²	151	103.8 Å²	103.8	79%	0.791	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-22	175.7	-71.6	169.9	0	0	0	113.8	Q215 R216 H217	Q215-L219 WeakPolarHBondContact O-CG 3.29Å; Q215-L219 PolarHBondContact O-N 3.28Å; Q215-L219 VanDerWaalsContact O-N 3.17Å; R216-L219 PolarHBondContact O-N 3.45Å; H217-L219 VanDerWaalsContact C-N 3.28Å; H217-L219 PolarHBondContact O-N 3.11Å
220	H	45.2	Very low	46.8	Very low	171 Å²	171	107.3 Å²	107.3	79%	0.792	59%	0.589	S	S	*	*	H	α-helix	trans	-120.1	5.1	-177.7	-119.4	-70.2	0	0	0	113.2	H217 V218 S222	H217-H220 CarbonylContact O-C 3.54Å; H217-H220 PolarHBondContact O-N 3.44Å; H217-H220 VanDerWaalsContact O-N 3.09Å; V218-H220 PolarHBondContact O-N 2.94Å; H220-S222 PolarHBondContact O-N 3.37Å; H220-S222 VanDerWaalsContact O-N 3.12Å
221	C	50.3	Low	46.6	Very low	25 Å²	25	109.8 Å²	109.8	17%	0.169	61%	0.608	C	S	.	*			trans	-82.6	90.2	-177.6	-168.2	0	0	0	0	109.7	H217 V218	H217-C221 VanDerWaalsContact O-CB 3.27Å; H217-C221 WeakPolarHBondContact O-CB 3.42Å; H217-C221 PolarHBondContact O-N 2.6Å; V218-C221 PolarHBondContact O-N 3.39Å
222	S	49	Very low	46.6	Very low	117 Å²	117	112.6 Å²	112.6	82%	0.818	62%	0.62	S	S	*	*			trans	-91.8	-7	175.6	58.3	0	0	0	0	114.1	H220	H220-S222 PolarHBondContact O-N 3.37Å; H220-S222 VanDerWaalsContact O-N 3.12Å
223	E	42.2	Very low	47	Very low	147 Å²	147	109.3 Å²	109.3	69%	0.687	62%	0.615	S	S	*	*			trans	-87.9	114.3	177.3	-76.4	-176.7	149.7	0	0	110.7
224	S	41.2	Very low	47.6	Very low	87 Å²	87	110.3 Å²	110.3	61%	0.608	62%	0.615	S	S	*	*			trans	-123.9	112.6	161.3	-58.7	0	0	0	0	107.2	D226	S224-D226 PolarHBondContact O-N 2.91Å
225	L	39	Very low	47.9	Very low	172 Å²	172	114.2 Å²	114.2	90%	0.901	63%	0.632	S	S	*	*			trans	-76.8	101.4	164.4	-78.8	163.1	0	0	0	107.5
226	D	36.5	Very low	48.2	Very low	146 Å²	146	109.4 Å²	109.4	78%	0.781	61%	0.61	S	S	*	*				168.5	144.3	111.8	-110.8	-55.6	0	0	0	110.6	S224 S228	S224-D226 PolarHBondContact O-N 2.91Å; D226-S228 PolarHBondContact O-N 3.23Å
227	P	46.8	Very low	48.1	Very low	110 Å²	110	105.4 Å²	105.4	71%	0.714	61%	0.61	S	S	*	*			trans	-93.6	93.1	-179.1	33.4	-22.1	0	0	0	110.2
228	S	42.6	Very low	47.7	Very low	127 Å²	127	109.4 Å²	109.4	89%	0.888	63%	0.633	S	S	*	*			trans	-176.6	132.7	156.3	-86.9	0	0	0	0	111.4	D226	D226-S228 PolarHBondContact O-N 3.23Å
229	G	38.4	Very low	47.6	Very low	64 Å²	64	108.5 Å²	108.5	66%	0.66	63%	0.629	S	S	*	*			trans	112.1	102.6	152.7	0	0	0	0	0	115.4	S231	G229-S231 PolarHBondContact O-N 3.34Å; G229-S231 PolarHBondContact O-OG 2.84Å
230	D	46.1	Very low	47.8	Very low	179 Å²	179	107.6 Å²	107.6	96%	0.957	62%	0.62	S	S	*	*			trans	-6.8	103.6	155.1	-90.9	-61.9	0	0	0	115.2
231	S	44.5	Very low	48.1	Very low	87 Å²	87	103.9 Å²	103.9	61%	0.608	61%	0.606	S	S	*	*			trans	-136.2	107.2	168.1	-61	0	0	0	0	108.1	G229 A233	G229-S231 PolarHBondContact O-N 3.34Å; G229-S231 PolarHBondContact O-OG 2.84Å; S231-A233 PolarHBondContact O-N 3.46Å
232	K	49.4	Very low	48.1	Very low	189 Å²	189	106.7 Å²	106.7	82%	0.822	62%	0.623	S	S	*	*			trans	-50.1	110.4	-178.4	-159.6	175.3	-172.5	177.9	0	110.1	H234	K232-H234 PolarHBondContact O-CD2 3.36Å
233	A	57.5	Low	48.8	Very low	61 Å²	61	103.3 Å²	103.3	50%	0.504	59%	0.593	S	S	.	*			trans	-79.2	133.9	-174.6	0	0	0	0	0	111.4	S231 T242	S231-A233 PolarHBondContact O-N 3.46Å; A233-T242 HydrophobicContact CB-CG2 3.51Å
234	H	60.2	Low	49.6	Very low	53 Å²	53	100.7 Å²	100.7	25%	0.245	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.6	111	179.4	-63.8	-94.3	0	0	0	109.8	K232 F243 F249	K232-H234 PolarHBondContact O-CD2 3.36Å; H234-F243 PolarHBondContact N-O 2.94Å; H234-F243 PolarHBondContact O-N 2.88Å; H234-F249 HydrophobicContact CB-CB 3.82Å; H234-F249 HydrophobicContact CB-CD1 4.11Å; H234-F249 HydrophobicContact CB-CD2 4.42Å; H234-F249 HydrophobicContact CB-CG 3.84Å
235	Q	57.5	Low	50.3	Low	111 Å²	111	99.2 Å²	99.2	52%	0.519	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.6	136.6	-176.4	-168.6	179.2	22.4	0	0	112.4	H240 N241	Q235-H240 PolarHBondContact NE2-O 2.85Å; Q235-N241 WeakPolarHBondContact CA-O 3.41Å
236	C	56	Low	51.7	Low	4 Å²	4	97 Å²	97	3%	0.027	57%	0.566	C	S	.	*			trans	-78.1	120.7	174.7	-175.8	0	0	0	0	112.1	L238 H240 N241 F243 F249 H252	C236-L238 PolarHBondContact O-N 3.27Å; C236-L238 PolarHBondContact SG-N 2.83Å; C236-H240 WeakPolarHBondContact O-CA 3.3Å; C236-H240 PolarHBondContact O-N 2.86Å; C236-N241 PolarHBondContact N-O 2.78Å; C236-F243 HydrophobicContact CB-CE2 4.47Å; C236-F249 HydrophobicContact CB-CD2 4.49Å; C236-F249 HydrophobicContact CB-CE2 3.84Å; C236-H252 PolarHBondContact SG-NE2 3.43Å
237	S	48.7	Very low	52.9	Low	102 Å²	102	94.1 Å²	94.1	71%	0.713	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-12.6	177.1	53.5	0	0	0	0	114.5
238	L	49.3	Very low	53.5	Low	124 Å²	124	90.8 Å²	90.8	65%	0.649	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-25.5	-177.4	-62.6	175.1	0	0	0	113.7	C236	C236-L238 PolarHBondContact O-N 3.27Å; C236-L238 PolarHBondContact SG-N 2.83Å
239	C	50.5	Low	54.9	Low	52 Å²	52	86.4 Å²	86.4	35%	0.351	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	6.4	-179.1	76.5	0	0	0	0	113.8	N241 H252	C239-N241 PolarHBondContact O-N 3.44Å; C239-H252 PolarHBondContact SG-CE1 2.85Å; C239-H252 PolarHBondContact SG-NE2 3.42Å
240	H	52.3	Low	55.9	Low	131 Å²	131	87.2 Å²	87.2	61%	0.606	49%	0.488	S	S	*	.			trans	59.6	9.6	176.1	-59.1	-71.9	0	0	0	117.1	Q235 C236	Q235-H240 PolarHBondContact NE2-O 2.85Å; C236-H240 WeakPolarHBondContact O-CA 3.3Å; C236-H240 PolarHBondContact O-N 2.86Å
241	N	51.7	Low	56.5	Low	93 Å²	93	85.5 Å²	85.5	50%	0.497	47%	0.474	S	S	.	.			trans	-71.2	138.9	174.3	-78.3	-9.9	0	0	0	111.9	Q235 C236 C239 F243	Q235-N241 WeakPolarHBondContact CA-O 3.41Å; C236-N241 PolarHBondContact N-O 2.78Å; C239-N241 PolarHBondContact O-N 3.44Å; N241-F243 HydrophobicContact CB-CE2 3.72Å; N241-F243 HydrophobicContact CB-CZ 3.89Å; N241-F243 WeakPolarHBondContact O-CE2 3.37Å
242	T	50.7	Low	57.5	Low	85 Å²	85	83.3 Å²	83.3	52%	0.521	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.5	-174.4	-53.2	0	0	0	0	110.7	A233	A233-T242 HydrophobicContact CB-CG2 3.51Å
243	F	64.8	Low	57.9	Low	45 Å²	45	78 Å²	78	20%	0.197	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.6	-173.8	-61.3	-88.7	0	0	0	110.8	H234 C236 N241 S245 F249 H252	H234-F243 PolarHBondContact N-O 2.94Å; H234-F243 PolarHBondContact O-N 2.88Å; C236-F243 HydrophobicContact CB-CE2 4.47Å; N241-F243 HydrophobicContact CB-CE2 3.72Å; N241-F243 HydrophobicContact CB-CZ 3.89Å; N241-F243 WeakPolarHBondContact O-CE2 3.37Å; F243-S245 VanDerWaalsContact C-N 3.3Å; F243-S245 PolarHBondContact O-N 2.92Å; F243-F249 HydrophobicContact CB-CB 4.23Å; F243-F249 HydrophobicContact CD2-CB 4.38Å; F243-F249 AromaticContact CD2-CD2 3.94Å; F243-F249 HydrophobicContact CD2-CD2 3.94Å; F243-F249 HydrophobicContact CE2-CD2 4.39Å; F243-F249 HydrophobicContact CG-CB 4.44Å; F243-H252 HydrophobicContact CE1-CB 4.22Å; F243-H252 HydrophobicContact CE2-CB 4.16Å; F243-H252 AromaticContact CE2-CD2 3.73Å; F243-H252 AromaticContact CE2-CG 3.76Å; F243-H252 HydrophobicContact CZ-CB 3.75Å; F243-H252 AromaticContact CZ-CD2 3.91Å; F243-H252 AromaticContact CZ-CG 3.46Å; F243-H252 VanDerWaalsContact CZ-CG 3.46Å; F243-H252 AromaticContact CZ-ND1 3.69Å
244	S	57.2	Low	57.8	Low	93 Å²	93	80 Å²	80	65%	0.65	43%	0.43	S	S	*	.	S	Bend	trans	-81	-6.2	-179.5	52.5	0	0	0	0	114
245	S	57.4	Low	57.2	Low	55 Å²	55	80.7 Å²	80.7	39%	0.385	45%	0.445	S	S	.	.	S	Bend	trans	-140.5	139	177.3	73.9	0	0	0	0	113	F243 S247 S248 F249	F243-S245 VanDerWaalsContact C-N 3.3Å; F243-S245 PolarHBondContact O-N 2.92Å; S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 2.84Å; S245-S248 PolarHBondContact O-N 3.37Å; S245-S248 VanDerWaalsContact O-N 3.14Å; S245-S248 PolarHBondContact O-OG 2.79Å; S245-S248 WeakPolarHBondContact OG-CB 3.48Å; S245-S248 PolarHBondContact OG-OG 3.47Å; S245-F249 PolarHBondContact O-N 3.16Å
246	E	66.8	Low	57	Low	127 Å²	127	76.3 Å²	76.3	59%	0.593	43%	0.427	S	S	*	.	H	α-helix	trans	-58.9	-38.7	-178.8	-171.4	170.3	-147.4	0	0	112.9	S248 F249 E250	E246-S248 VanDerWaalsContact C-N 3.32Å; E246-S248 PolarHBondContact O-N 3.26Å; E246-F249 WeakPolarHBondContact O-CB 3.37Å; E246-F249 PolarHBondContact O-N 3.02Å; E246-E250 PolarHBondContact O-N 3.38Å
247	S	62.1	Low	56.8	Low	85 Å²	85	83 Å²	83	59%	0.594	46%	0.455	S	S	*	.	H	α-helix	trans	-63.8	-36.6	177.7	176	0	0	0	0	112.8	S245 F249 Q251	S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 2.84Å; S247-F249 VanDerWaalsContact C-N 3.35Å; S247-Q251 PolarHBondContact O-N 3.12Å
248	S	60.2	Low	56.8	Low	39 Å²	39	81 Å²	81	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-71	-33.3	176	64.3	0	0	0	0	112.2	S245 E246 H252	S245-S248 PolarHBondContact O-N 3.37Å; S245-S248 VanDerWaalsContact O-N 3.14Å; S245-S248 PolarHBondContact O-OG 2.79Å; S245-S248 WeakPolarHBondContact OG-CB 3.48Å; S245-S248 PolarHBondContact OG-OG 3.47Å; E246-S248 VanDerWaalsContact C-N 3.32Å; E246-S248 PolarHBondContact O-N 3.26Å; S248-H252 WeakPolarHBondContact O-CB 3.27Å; S248-H252 PolarHBondContact O-N 3.18Å; S248-H252 VanDerWaalsContact O-N 3.17Å
249	F	71.3	Confident	56.8	Low	36 Å²	36	81 Å²	81	16%	0.158	45%	0.452	C	S	.	.	H	α-helix	trans	-68.2	-44.6	175.9	174.4	-115.7	0	0	0	112.5	H234 C236 F243 S245 E246 S247 H252 K253	H234-F249 HydrophobicContact CB-CB 3.82Å; H234-F249 HydrophobicContact CB-CD1 4.11Å; H234-F249 HydrophobicContact CB-CD2 4.42Å; H234-F249 HydrophobicContact CB-CG 3.84Å; C236-F249 HydrophobicContact CB-CD2 4.49Å; C236-F249 HydrophobicContact CB-CE2 3.84Å; F243-F249 HydrophobicContact CB-CB 4.23Å; F243-F249 HydrophobicContact CD2-CB 4.38Å; F243-F249 AromaticContact CD2-CD2 3.94Å; F243-F249 HydrophobicContact CD2-CD2 3.94Å; F243-F249 HydrophobicContact CE2-CD2 4.39Å; F243-F249 HydrophobicContact CG-CB 4.44Å; S245-F249 PolarHBondContact O-N 3.16Å; E246-F249 WeakPolarHBondContact O-CB 3.37Å; E246-F249 PolarHBondContact O-N 3.02Å; S247-F249 VanDerWaalsContact C-N 3.35Å; F249-H252 WeakPolarHBondContact O-CB 3.13Å; F249-H252 PolarHBondContact O-N 3.04Å; F249-K253 WeakPolarHBondContact O-CB 3.33Å; F249-K253 PolarHBondContact O-N 2.86Å
250	E	59.9	Low	57	Low	80 Å²	80	79.4 Å²	79.4	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-66.7	-37.6	178.8	-80.7	-66	144.4	0	0	112.7	E246 H252 K253 E254	E246-E250 PolarHBondContact O-N 3.38Å; E250-H252 PolarHBondContact O-N 3.22Å; E250-K253 PolarHBondContact O-N 2.59Å; E250-K253 IonicContact OE1-NZ 3.95Å; E250-K253 PolarHBondContact OE1-NZ 2.89Å; E250-K253 IonicContact OE2-NZ 3.71Å; E250-E254 PolarHBondContact O-N 3.4Å; E250-E254 VanDerWaalsContact O-N 3.12Å
251	Q	58.6	Low	57.2	Low	144 Å²	144	83.7 Å²	83.7	67%	0.673	45%	0.453	S	S	*	.	H	α-helix	trans	-64.5	-40.3	172.6	-81.6	-176.1	8.4	0	0	112.7	S247 K253 E254 A255	S247-Q251 PolarHBondContact O-N 3.12Å; Q251-K253 VanDerWaalsContact C-N 3.35Å; Q251-E254 PolarHBondContact O-N 3.29Å; Q251-A255 PolarHBondContact O-N 2.77Å; Q251-A255 VanDerWaalsContact O-N 3.1Å
252	H	66.6	Low	57.4	Low	41 Å²	41	81.9 Å²	81.9	19%	0.19	44%	0.441	C	S	.	.	H	α-helix	trans	-62.1	-43.2	175.3	165.3	77.7	0	0	0	111.8	C236 C239 F243 S248 F249 E250 E254 A255 C256	C236-H252 PolarHBondContact SG-NE2 3.43Å; C239-H252 PolarHBondContact SG-CE1 2.85Å; C239-H252 PolarHBondContact SG-NE2 3.42Å; F243-H252 HydrophobicContact CE1-CB 4.22Å; F243-H252 HydrophobicContact CE2-CB 4.16Å; F243-H252 AromaticContact CE2-CD2 3.73Å; F243-H252 AromaticContact CE2-CG 3.76Å; F243-H252 HydrophobicContact CZ-CB 3.75Å; F243-H252 AromaticContact CZ-CD2 3.91Å; F243-H252 AromaticContact CZ-CG 3.46Å; F243-H252 VanDerWaalsContact CZ-CG 3.46Å; F243-H252 AromaticContact CZ-ND1 3.69Å; S248-H252 WeakPolarHBondContact O-CB 3.27Å; S248-H252 PolarHBondContact O-N 3.18Å; S248-H252 VanDerWaalsContact O-N 3.17Å; F249-H252 WeakPolarHBondContact O-CB 3.13Å; F249-H252 PolarHBondContact O-N 3.04Å; E250-H252 PolarHBondContact O-N 3.22Å; H252-E254 PolarHBondContact O-N 2.79Å; H252-A255 PolarHBondContact O-N 3.01Å; H252-C256 VanDerWaalsContact O-CB 3.27Å; H252-C256 WeakPolarHBondContact O-CB 3.4Å; H252-C256 PolarHBondContact O-N 3.28Å
253	K	56.5	Low	58	Low	77 Å²	77	81.4 Å²	81.4	34%	0.335	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-40.7	180	-177.6	-179.4	168.4	-161.7	0	112.3	F249 E250 Q251 C256 K257	F249-K253 WeakPolarHBondContact O-CB 3.33Å; F249-K253 PolarHBondContact O-N 2.86Å; E250-K253 PolarHBondContact O-N 2.59Å; E250-K253 IonicContact OE1-NZ 3.95Å; E250-K253 PolarHBondContact OE1-NZ 2.89Å; E250-K253 IonicContact OE2-NZ 3.71Å; Q251-K253 VanDerWaalsContact C-N 3.35Å; K253-C256 PolarHBondContact O-N 3.07Å; K253-K257 PolarHBondContact O-N 3.37Å
254	E	54.6	Low	58	Low	103 Å²	103	79.4 Å²	79.4	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-71.7	-37.2	177.2	-71	-60.2	116.3	0	0	112.5	E250 Q251 H252 C256 K257	E250-E254 PolarHBondContact O-N 3.4Å; E250-E254 VanDerWaalsContact O-N 3.12Å; Q251-E254 PolarHBondContact O-N 3.29Å; H252-E254 PolarHBondContact O-N 2.79Å; E254-C256 PolarHBondContact O-N 3.44Å; E254-K257 PolarHBondContact O-N 3.38Å; E254-K257 IonicContact OE1-NZ 2.65Å; E254-K257 PolarHBondContact OE1-NZ 3.4Å
255	A	49.6	Very low	58.2	Low	68 Å²	68	84 Å²	84	56%	0.562	43%	0.434	S	S	*	.	H	α-helix	trans	-65.8	-36.3	171.1	0	0	0	0	0	112.6	Q251 H252 K257 G258	Q251-A255 PolarHBondContact O-N 2.77Å; Q251-A255 VanDerWaalsContact O-N 3.1Å; H252-A255 PolarHBondContact O-N 3.01Å; A255-K257 VanDerWaalsContact C-N 3.29Å; A255-K257 PolarHBondContact O-N 3.03Å; A255-G258 PolarHBondContact O-N 2.86Å; A255-G258 VanDerWaalsContact O-N 3.12Å
256	C	52.9	Low	58.3	Low	19 Å²	19	83 Å²	83	13%	0.128	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-28.4	179.3	-170.7	0	0	0	0	113.3	H252 K253 E254 R272	H252-C256 VanDerWaalsContact O-CB 3.27Å; H252-C256 WeakPolarHBondContact O-CB 3.4Å; H252-C256 PolarHBondContact O-N 3.28Å; K253-C256 PolarHBondContact O-N 3.07Å; E254-C256 PolarHBondContact O-N 3.44Å; C256-R272 PolarHBondContact O-NH1 3.35Å; C256-R272 PolarHBondContact O-NH2 2.88Å; C256-R272 VanDerWaalsContact O-NH2 3.15Å
257	K	51.4	Low	57.2	Low	143 Å²	143	86 Å²	86	62%	0.622	44%	0.443	S	S	*	.	H	α-helix	trans	-72.2	-27	172	-87.7	176.4	-177.9	163.8	0	113.4	K253 E254 A255	K253-K257 PolarHBondContact O-N 3.37Å; E254-K257 PolarHBondContact O-N 3.38Å; E254-K257 IonicContact OE1-NZ 2.65Å; E254-K257 PolarHBondContact OE1-NZ 3.4Å; A255-K257 VanDerWaalsContact C-N 3.29Å; A255-K257 PolarHBondContact O-N 3.03Å
258	G	48.9	Very low	56.6	Low	61 Å²	61	88.5 Å²	88.5	63%	0.629	46%	0.46	S	S	*	.	H	α-helix	trans	-81.9	-33.5	-165.4	0	0	0	0	0	117.2	A255	A255-G258 PolarHBondContact O-N 2.86Å; A255-G258 VanDerWaalsContact O-N 3.12Å
259	D	49.8	Very low	56.9	Low	124 Å²	124	88 Å²	88	66%	0.663	46%	0.457	S	S	*	.	S	Bend	trans	-120.9	18.1	-157.2	-155.5	10.3	0	0	0	117
260	A	53	Low	56.1	Low	18 Å²	18	88.7 Å²	88.7	15%	0.149	47%	0.474	C	S	.	.			trans	-161.6	114.1	168.4	0	0	0	0	0	113.8	R272	A260-R272 HydrophobicContact CB-CB 3.58Å; A260-R272 HydrophobicContact CB-CG 4.15Å; A260-R272 PolarHBondContact O-NH2 2.77Å
261	R	57.1	Low	56	Low	221 Å²	221	91.1 Å²	91.1	83%	0.834	48%	0.484	S	S	*	.	S	Bend	trans	-90.2	-18	-174.5	-55.7	-172.8	-160	168.4	6.5	114.2
262	F	56.8	Low	56.3	Low	55 Å²	55	89.4 Å²	89.4	24%	0.241	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.5	-174.8	-54.6	-68.5	0	0	0	111.8	F273 S275 K276 L279	F262-F273 PolarHBondContact N-O 3.28Å; F262-F273 PolarHBondContact O-N 3.31Å; F262-S275 VanDerWaalsContact CD2-C 3.49Å; F262-K276 HydrophobicContact CD1-CG 3.6Å; F262-K276 HydrophobicContact CD2-CG 4.33Å; F262-K276 HydrophobicContact CE1-CD 3.98Å; F262-K276 VanDerWaalsContact CE1-CE 3.41Å; F262-K276 HydrophobicContact CE1-CG 3.36Å; F262-K276 HydrophobicContact CE2-CG 4.1Å; F262-K276 HydrophobicContact CG-CG 4.1Å; F262-K276 HydrophobicContact CZ-CD 4.34Å; F262-K276 HydrophobicContact CZ-CG 3.62Å; F262-L279 HydrophobicContact CB-CD2 4.03Å
263	I	62.3	Low	56.4	Low	76 Å²	76	89.5 Å²	89.5	39%	0.39	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.5	-173.6	-50	-177.5	0	0	0	109.3	K265 R272	I263-K265 PolarHBondContact O-N 3.33Å; I263-R272 HydrophobicContact CG1-CG 4.18Å; I263-R272 HydrophobicContact CG2-CG 4.48Å
264	C	65.6	Low	56.5	Low	2 Å²	2	94.4 Å²	94.4	1%	0.014	49%	0.492	C	S	.	.			trans	-71.7	106.4	169.4	-167.1	0	0	0	0	109.6	A266 C269 K271 F273 L279	C264-A266 PolarHBondContact O-N 3.17Å; C264-C269 HydrophobicContact CB-CB 4.39Å; C264-K271 PolarHBondContact N-O 3.39Å; C264-F273 HydrophobicContact CB-CE2 4.27Å; C264-L279 HydrophobicContact CB-CD1 3.87Å
265	K	60.6	Low	56.8	Low	190 Å²	190	91.9 Å²	91.9	83%	0.826	49%	0.486	S	S	*	.			trans	-82.1	13.3	179.1	-59.7	-172	177.3	-174.3	0	113.9	I263	I263-K265 PolarHBondContact O-N 3.33Å
266	A	60	Low	57.3	Low	34 Å²	34	95.6 Å²	95.6	28%	0.281	49%	0.489	S	S	.	.	S	Bend	trans	-71.9	138.2	173.5	0	0	0	0	0	109.1	C264 S268 C269	C264-A266 PolarHBondContact O-N 3.17Å; A266-S268 PolarHBondContact O-N 2.84Å; A266-C269 HydrophobicContact CB-CB 4.05Å; A266-C269 WeakPolarHBondContact O-CB 3.27Å; A266-C269 PolarHBondContact O-N 2.85Å
267	E	44.6	Very low	57.9	Low	190 Å²	190	100.1 Å²	100.1	89%	0.888	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	134.1	-179.9	-137.4	172.7	172.7	0	0	109.5	C269	E267-C269 VanDerWaalsContact C-N 3.28Å; E267-C269 PolarHBondContact O-N 2.86Å
268	S	48.7	Very low	58.5	Low	137 Å²	137	95 Å²	95	96%	0.958	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-6.1	-172.4	77.6	0	0	0	0	118.8	A266	A266-S268 PolarHBondContact O-N 2.84Å
269	C	65.8	Low	59.6	Low	29 Å²	29	93.2 Å²	93.2	20%	0.196	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-53.8	-174.6	-171.3	0	0	0	0	114.5	C264 A266 E267 K271 H282	C264-C269 HydrophobicContact CB-CB 4.39Å; A266-C269 HydrophobicContact CB-CB 4.05Å; A266-C269 WeakPolarHBondContact O-CB 3.27Å; A266-C269 PolarHBondContact O-N 2.85Å; E267-C269 VanDerWaalsContact C-N 3.28Å; E267-C269 PolarHBondContact O-N 2.86Å; C269-K271 PolarHBondContact O-N 2.76Å; C269-H282 PolarHBondContact SG-NE2 3.41Å; C269-H282 VanDerWaalsContact SG-NE2 3.45Å
270	G	54.6	Low	60.4	Low	51 Å²	51	95 Å²	95	53%	0.526	47%	0.474	S	S	.	.			trans	58.7	-3.2	174.8	0	0	0	0	0	118
271	K	58.2	Low	61.2	Low	131 Å²	131	101.1 Å²	101.1	57%	0.57	50%	0.498	S	S	*	.			trans	-66.7	140.4	-171.9	-75.5	-177.5	-178.9	179.2	0	112.5	C264 C269 F273	C264-K271 PolarHBondContact N-O 3.39Å; C269-K271 PolarHBondContact O-N 2.76Å; K271-F273 HydrophobicContact CB-CE2 3.79Å; K271-F273 HydrophobicContact CB-CZ 4.01Å
272	R	64.9	Low	61.9	Low	107 Å²	107	91.8 Å²	91.8	40%	0.404	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134	-173.4	-65.9	-170.8	81	163.6	-10.5	111.1	C256 A260 I263	C256-R272 PolarHBondContact O-NH1 3.35Å; C256-R272 PolarHBondContact O-NH2 2.88Å; C256-R272 VanDerWaalsContact O-NH2 3.15Å; A260-R272 HydrophobicContact CB-CB 3.58Å; A260-R272 HydrophobicContact CB-CG 4.15Å; A260-R272 PolarHBondContact O-NH2 2.77Å; I263-R272 HydrophobicContact CG1-CG 4.18Å; I263-R272 HydrophobicContact CG2-CG 4.48Å
273	F	69.4	Low	62.4	Low	44 Å²	44	93.2 Å²	93.2	19%	0.193	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.8	-174.4	-60.8	-88.6	0	0	0	112.1	F262 C264 K271 A278 L279 H282	F262-F273 PolarHBondContact N-O 3.28Å; F262-F273 PolarHBondContact O-N 3.31Å; C264-F273 HydrophobicContact CB-CE2 4.27Å; K271-F273 HydrophobicContact CB-CE2 3.79Å; K271-F273 HydrophobicContact CB-CZ 4.01Å; F273-A278 HydrophobicContact CB-CB 4.46Å; F273-A278 HydrophobicContact CD1-CB 4.24Å; F273-L279 HydrophobicContact CB-CB 4.46Å; F273-L279 HydrophobicContact CD2-CB 4.29Å; F273-L279 HydrophobicContact CD2-CD1 3.77Å; F273-L279 HydrophobicContact CE2-CD1 3.96Å; F273-L279 HydrophobicContact CG-CB 4.48Å; F273-H282 HydrophobicContact CE1-CB 4.11Å; F273-H282 HydrophobicContact CE2-CB 4.34Å; F273-H282 AromaticContact CE2-CD2 3.63Å; F273-H282 AromaticContact CE2-CG 3.94Å; F273-H282 HydrophobicContact CZ-CB 3.76Å; F273-H282 AromaticContact CZ-CD2 3.57Å; F273-H282 AromaticContact CZ-CG 3.4Å; F273-H282 VanDerWaalsContact CZ-CG 3.4Å; F273-H282 AromaticContact CZ-ND1 3.8Å
274	K	58.6	Low	62.4	Low	179 Å²	179	91 Å²	91	78%	0.778	47%	0.465	S	S	*	.	S	Bend	trans	-81.4	-15.4	-178.2	-62.3	-174.9	177.7	-175	0	113.6
275	S	60.3	Low	62.2	Low	50 Å²	50	97.4 Å²	97.4	35%	0.35	50%	0.5	S	S	.	.	S	Bend	trans	-145.6	157.3	179.1	70.9	0	0	0	0	113.5	F262 A278 L279	F262-S275 VanDerWaalsContact CD2-C 3.49Å; S275-A278 WeakPolarHBondContact OG-CB 3.21Å; S275-A278 PolarHBondContact OG-N 2.87Å; S275-L279 PolarHBondContact O-N 2.92Å
276	K	60.1	Low	62	Low	146 Å²	146	92.8 Å²	92.8	64%	0.635	49%	0.487	S	S	*	.	H	α-helix	trans	-65.8	-36.8	177.5	-76.6	-172.8	179.4	177.2	0	112.6	F262 L279 K280	F262-K276 HydrophobicContact CD1-CG 3.6Å; F262-K276 HydrophobicContact CD2-CG 4.33Å; F262-K276 HydrophobicContact CE1-CD 3.98Å; F262-K276 VanDerWaalsContact CE1-CE 3.41Å; F262-K276 HydrophobicContact CE1-CG 3.36Å; F262-K276 HydrophobicContact CE2-CG 4.1Å; F262-K276 HydrophobicContact CG-CG 4.1Å; F262-K276 HydrophobicContact CZ-CD 4.34Å; F262-K276 HydrophobicContact CZ-CG 3.62Å; K276-L279 PolarHBondContact O-N 3.28Å; K276-K280 PolarHBondContact O-N 3.41Å
277	D	66.6	Low	62.1	Low	114 Å²	114	95 Å²	95	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-68.1	-37.2	-179.7	-63.8	-50.5	0	0	0	112.4	L279 K280 K281	D277-L279 VanDerWaalsContact C-N 3.34Å; D277-K280 PolarHBondContact O-N 3.42Å; D277-K281 WeakPolarHBondContact O-CG 3.41Å; D277-K281 PolarHBondContact O-N 2.94Å
278	A	62.9	Low	62.7	Low	37 Å²	37	90 Å²	90	31%	0.306	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-41.6	173.5	0	0	0	0	0	111.2	F273 S275 H282	F273-A278 HydrophobicContact CB-CB 4.46Å; F273-A278 HydrophobicContact CD1-CB 4.24Å; S275-A278 WeakPolarHBondContact OG-CB 3.21Å; S275-A278 PolarHBondContact OG-N 2.87Å; A278-H282 VanDerWaalsContact O-CB 3.28Å; A278-H282 WeakPolarHBondContact O-CB 3.45Å; A278-H282 PolarHBondContact O-N 3.29Å
279	L	72.2	Confident	62.9	Low	22 Å²	22	88 Å²	88	12%	0.115	47%	0.474	C	S	.	.	H	α-helix	trans	-65.2	-39.8	173.8	178.2	63.2	0	0	0	112.1	F262 C264 F273 S275 K276 D277 H282 K283	F262-L279 HydrophobicContact CB-CD2 4.03Å; C264-L279 HydrophobicContact CB-CD1 3.87Å; F273-L279 HydrophobicContact CB-CB 4.46Å; F273-L279 HydrophobicContact CD2-CB 4.29Å; F273-L279 HydrophobicContact CD2-CD1 3.77Å; F273-L279 HydrophobicContact CE2-CD1 3.96Å; F273-L279 HydrophobicContact CG-CB 4.48Å; S275-L279 PolarHBondContact O-N 2.92Å; K276-L279 PolarHBondContact O-N 3.28Å; D277-L279 VanDerWaalsContact C-N 3.34Å; L279-H282 PolarHBondContact O-N 2.86Å; L279-K283 HydrophobicContact CD1-CD 4.43Å; L279-K283 HydrophobicContact CD1-CG 4.28Å; L279-K283 HydrophobicContact CG-CD 4.43Å; L279-K283 WeakPolarHBondContact O-CB 3.49Å; L279-K283 WeakPolarHBondContact O-CG 3.49Å; L279-K283 PolarHBondContact O-N 3.46Å
280	K	66.4	Low	61.6	Low	161 Å²	161	92 Å²	92	70%	0.7	50%	0.503	S	S	*	.	H	α-helix	trans	-67.4	-41.5	179.5	-168.7	177.8	-179.8	-177.5	0	111.7	K276 D277 K283 G284	K276-K280 PolarHBondContact O-N 3.41Å; D277-K280 PolarHBondContact O-N 3.42Å; K280-K283 PolarHBondContact O-N 3.25Å; K280-G284 PolarHBondContact O-N 3.43Å
281	K	69.2	Low	61.3	Low	147 Å²	147	94 Å²	94	64%	0.639	52%	0.515	S	S	*	.	H	α-helix	trans	-64.5	-44	172.7	-73.6	-179.2	179.9	-178.7	0	111.8	D277 K283 G284 N285	D277-K281 WeakPolarHBondContact O-CG 3.41Å; D277-K281 PolarHBondContact O-N 2.94Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K283 PolarHBondContact O-N 3.16Å; K281-G284 PolarHBondContact O-N 2.94Å; K281-N285 WeakPolarHBondContact O-CB 3.39Å; K281-N285 PolarHBondContact O-N 2.9Å
282	H	73.4	Confident	60.6	Low	25 Å²	25	97.2 Å²	97.2	12%	0.116	52%	0.523	C	S	.	.	H	α-helix	trans	-58.9	-45.8	174.9	169.9	68.6	0	0	0	111.5	C269 F273 A278 L279 V286 H287	C269-H282 PolarHBondContact SG-NE2 3.41Å; C269-H282 VanDerWaalsContact SG-NE2 3.45Å; F273-H282 HydrophobicContact CE1-CB 4.11Å; F273-H282 HydrophobicContact CE2-CB 4.34Å; F273-H282 AromaticContact CE2-CD2 3.63Å; F273-H282 AromaticContact CE2-CG 3.94Å; F273-H282 HydrophobicContact CZ-CB 3.76Å; F273-H282 AromaticContact CZ-CD2 3.57Å; F273-H282 AromaticContact CZ-CG 3.4Å; F273-H282 VanDerWaalsContact CZ-CG 3.4Å; F273-H282 AromaticContact CZ-ND1 3.8Å; A278-H282 VanDerWaalsContact O-CB 3.28Å; A278-H282 WeakPolarHBondContact O-CB 3.45Å; A278-H282 PolarHBondContact O-N 3.29Å; L279-H282 PolarHBondContact O-N 2.86Å; H282-V286 WeakPolarHBondContact O-CB 3.42Å; H282-V286 WeakPolarHBondContact O-CG2 3.48Å; H282-V286 PolarHBondContact O-N 2.82Å; H282-H287 AromaticContact CD2-NE2 3.97Å; H282-H287 AromaticContact CE1-NE2 3.72Å; H282-H287 AromaticContact NE2-CD2 3.74Å; H282-H287 AromaticContact NE2-NE2 3.17Å; H282-H287 PolarHBondContact NE2-NE2 2.92Å; H282-H287 VanDerWaalsContact NE2-NE2 3.17Å
283	K	66.3	Low	59.6	Low	85 Å²	85	101.5 Å²	101.5	37%	0.37	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-44.6	174.6	-73.5	-175.3	175.1	-164.9	0	112.9	L279 K280 K281 N285 H287 T288	L279-K283 HydrophobicContact CD1-CD 4.43Å; L279-K283 HydrophobicContact CD1-CG 4.28Å; L279-K283 HydrophobicContact CG-CD 4.43Å; L279-K283 WeakPolarHBondContact O-CB 3.49Å; L279-K283 WeakPolarHBondContact O-CG 3.49Å; L279-K283 PolarHBondContact O-N 3.46Å; K280-K283 PolarHBondContact O-N 3.25Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K283 PolarHBondContact O-N 3.16Å; K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 2.81Å; K283-H287 CarbonylContact O-C 3.51Å; K283-H287 WeakPolarHBondContact O-CA 3.37Å; K283-H287 WeakPolarHBondContact O-CB 2.95Å; K283-H287 PolarHBondContact O-N 2.7Å; K283-T288 PolarHBondContact O-N 3.41Å; K283-T288 PolarHBondContact O-OG1 2.99Å
284	G	62.9	Low	58.4	Low	29 Å²	29	106.6 Å²	106.6	30%	0.299	56%	0.561	S	S	.	*	H	α-helix	trans	-56.3	-44.9	177.3	0	0	0	0	0	113.2	K280 K281 T288	K280-G284 PolarHBondContact O-N 3.43Å; K281-G284 PolarHBondContact O-N 2.94Å; G284-T288 VanDerWaalsContact CA-OG1 3.24Å; G284-T288 WeakPolarHBondContact CA-OG1 3.38Å; G284-T288 PolarHBondContact O-OG1 3.33Å
285	N	60.5	Low	58.1	Low	137 Å²	137	101.3 Å²	101.3	73%	0.733	54%	0.541	S	S	*	.	H	α-helix	trans	-91.3	-30.6	-170.9	-63.7	-6.2	0	0	0	113.5	K281 K283	K281-N285 WeakPolarHBondContact O-CB 3.39Å; K281-N285 PolarHBondContact O-N 2.9Å; K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 2.81Å
286	V	56.8	Low	57.8	Low	94 Å²	94	101.1 Å²	101.1	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-104	-27.9	-172.3	-174.4	0	0	0	0	111.8	H282	H282-V286 WeakPolarHBondContact O-CB 3.42Å; H282-V286 WeakPolarHBondContact O-CG2 3.48Å; H282-V286 PolarHBondContact O-N 2.82Å
287	H	61	Low	57.4	Low	81 Å²	81	94.1 Å²	94.1	38%	0.375	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-17.2	-169.7	-59.6	-62.2	0	0	0	114.6	H282 K283	H282-H287 AromaticContact CD2-NE2 3.97Å; H282-H287 AromaticContact CE1-NE2 3.72Å; H282-H287 AromaticContact NE2-CD2 3.74Å; H282-H287 AromaticContact NE2-NE2 3.17Å; H282-H287 PolarHBondContact NE2-NE2 2.92Å; H282-H287 VanDerWaalsContact NE2-NE2 3.17Å; K283-H287 CarbonylContact O-C 3.51Å; K283-H287 WeakPolarHBondContact O-CA 3.37Å; K283-H287 WeakPolarHBondContact O-CB 2.95Å; K283-H287 PolarHBondContact O-N 2.7Å
288	T	57.8	Low	56.6	Low	85 Å²	85	93.7 Å²	93.7	52%	0.521	51%	0.51	S	S	.	.			trans	-127.1	83.7	178.9	55.1	0	0	0	0	110.6	K283 G284 S290	K283-T288 PolarHBondContact O-N 3.41Å; K283-T288 PolarHBondContact O-OG1 2.99Å; G284-T288 VanDerWaalsContact CA-OG1 3.24Å; G284-T288 WeakPolarHBondContact CA-OG1 3.38Å; G284-T288 PolarHBondContact O-OG1 3.33Å; T288-S290 VanDerWaalsContact C-N 3.29Å; T288-S290 PolarHBondContact O-N 2.8Å
289	G	53	Low	56	Low	93 Å²	93	97.1 Å²	97.1	96%	0.959	52%	0.522	S	S	*	.			trans	-66.5	76.2	179	0	0	0	0	0	113.5
290	S	39.8	Very low	55.1	Low	115 Å²	115	99 Å²	99	80%	0.804	54%	0.536	S	S	*	.			trans	-107.7	122.8	173.2	-157.9	0	0	0	0	111.9	T288	T288-S290 VanDerWaalsContact C-N 3.29Å; T288-S290 PolarHBondContact O-N 2.8Å
291	A	46.9	Very low	54.4	Low	93 Å²	93	97.1 Å²	97.1	77%	0.769	53%	0.533	S	S	*	.			trans	-46.4	121.8	-168.8	0	0	0	0	0	116.6
292	R	43.4	Very low	53.6	Low	197 Å²	197	97.1 Å²	97.1	74%	0.743	53%	0.529	S	S	*	.			trans	-91.6	103.7	148.3	-72.2	-167.5	-171.9	-160.2	0.8	108	K294 S305	R292-K294 PolarHBondContact O-N 3.39Å; R292-S305 PolarHBondContact NH1-O 3.35Å
293	R	44.8	Very low	52.9	Low	197 Å²	197	102.5 Å²	102.5	74%	0.743	55%	0.552	S	S	*	*			trans	-45.6	122.7	164.1	-90	177.6	169.5	151.4	-3.6	108.3	L295	R293-L295 PolarHBondContact O-N 3.25Å; R293-L295 VanDerWaalsContact O-N 3.17Å
294	K	43.4	Very low	52.5	Low	151 Å²	151	99.2 Å²	99.2	66%	0.657	54%	0.54	S	S	*	.			trans	-59.8	110.4	-173	-64.3	164.2	179.2	170.5	0	109.4	R292 T296 K303	R292-K294 PolarHBondContact O-N 3.39Å; K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.07Å; K294-K303 HydrophobicContact CB-CG 4.49Å; K294-K303 HydrophobicContact CD-CD 4.12Å; K294-K303 HydrophobicContact CG-CD 4.37Å
295	L	53	Low	52.3	Low	68 Å²	68	101.7 Å²	101.7	36%	0.356	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	92.7	173.1	-74.5	161.8	0	0	0	107.9	R293 C304 S306 L310	R293-L295 PolarHBondContact O-N 3.25Å; R293-L295 VanDerWaalsContact O-N 3.17Å; L295-C304 WeakPolarHBondContact O-CB 3.38Å; L295-C304 PolarHBondContact O-N 2.81Å; L295-S306 VanDerWaalsContact CD1-C 3.47Å; L295-L310 HydrophobicContact CB-CD2 3.98Å; L295-L310 HydrophobicContact CD2-CD2 4.46Å
296	T	53.4	Low	52.4	Low	46 Å²	46	96.6 Å²	96.6	28%	0.282	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.7	-172.1	-49	0	0	0	0	111.2	K294 T298 N301 R302 K303	K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.07Å; T296-T298 PolarHBondContact O-N 3.5Å; T296-N301 VanDerWaalsContact CG2-C 3.49Å; T296-N301 HydrophobicContact CG2-CB 4.41Å; T296-N301 VanDerWaalsContact CG2-O 3.24Å; T296-N301 WeakPolarHBondContact CG2-O 3.4Å; T296-R302 WeakPolarHBondContact CA-O 3.28Å; T296-K303 HydrophobicContact CG2-CG 4.32Å
297	C	52.1	Low	52.3	Low	0 Å²	0	95.9 Å²	95.9	0%	0	53%	0.527	C	S	.	.			trans	-71.7	122.7	173.1	-174.1	0	0	0	0	110.9	I299 N301 R302 L310 H313 H317	C297-I299 PolarHBondContact O-N 2.85Å; C297-N301 WeakPolarHBondContact O-CA 3.39Å; C297-N301 PolarHBondContact O-N 3.48Å; C297-R302 HydrophobicContact CB-CB 4.4Å; C297-R302 PolarHBondContact N-O 3.36Å; C297-L310 HydrophobicContact CB-CD1 3.69Å; C297-H313 VanDerWaalsContact CB-CD2 3.42Å; C297-H313 WeakPolarHBondContact CB-CD2 3.33Å; C297-H313 WeakPolarHBondContact CB-NE2 3.19Å; C297-H313 PolarHBondContact SG-CD2 3.12Å; C297-H313 PolarHBondContact SG-NE2 3.25Å; C297-H317 VanDerWaalsContact SG-CD2 3.57Å
298	T	48.5	Very low	52.4	Low	105 Å²	105	97.2 Å²	97.2	64%	0.644	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.5	-177.2	51.7	0	0	0	0	113.9	T296	T296-T298 PolarHBondContact O-N 3.5Å
299	I	50.3	Low	52.6	Low	109 Å²	109	96.8 Å²	96.8	56%	0.559	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-39.6	-176.9	-58.3	174.7	0	0	0	111.2	C297 H317	C297-I299 PolarHBondContact O-N 2.85Å; I299-H317 HydrophobicContact CB-CB 4.44Å; I299-H317 HydrophobicContact CD1-CB 3.45Å; I299-H317 VanDerWaalsContact CD1-CB 3.45Å; I299-H317 HydrophobicContact CG2-CB 4.18Å; I299-H317 WeakPolarHBondContact CG2-ND1 3.49Å
300	C	53.7	Low	53.2	Low	61 Å²	61	93.2 Å²	93.2	41%	0.412	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	14.2	-179.4	75.2	0	0	0	0	113.9	R302 H313 H317	C300-R302 PolarHBondContact O-N 3.44Å; C300-H313 VanDerWaalsContact SG-CE1 3.52Å; C300-H313 PolarHBondContact SG-NE2 2.81Å; C300-H317 VanDerWaalsContact SG-CE1 3.59Å; C300-H317 PolarHBondContact SG-NE2 3.12Å
301	N	52	Low	54.1	Low	121 Å²	121	92.2 Å²	92.2	65%	0.647	47%	0.472	S	S	*	.			trans	54.4	18.1	177.8	-67.2	-36.2	0	0	0	116.3	T296 C297 K303	T296-N301 VanDerWaalsContact CG2-C 3.49Å; T296-N301 HydrophobicContact CG2-CB 4.41Å; T296-N301 VanDerWaalsContact CG2-O 3.24Å; T296-N301 WeakPolarHBondContact CG2-O 3.4Å; C297-N301 WeakPolarHBondContact O-CA 3.39Å; C297-N301 PolarHBondContact O-N 3.48Å; N301-K303 PolarHBondContact O-N 3.17Å
302	R	53.4	Low	54.8	Low	147 Å²	147	93.5 Å²	93.5	56%	0.555	46%	0.462	S	S	*	.			trans	-69.9	124.4	176.7	-171.4	-178.1	-173.1	-153.8	6	111.1	T296 C297 C300	T296-R302 WeakPolarHBondContact CA-O 3.28Å; C297-R302 HydrophobicContact CB-CB 4.4Å; C297-R302 PolarHBondContact N-O 3.36Å; C300-R302 PolarHBondContact O-N 3.44Å
303	K	57.8	Low	56	Low	138 Å²	138	84.8 Å²	84.8	60%	0.6	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	129	174.5	-63.8	170.8	-171.2	158.5	0	110	K294 T296 N301	K294-K303 HydrophobicContact CB-CG 4.49Å; K294-K303 HydrophobicContact CD-CD 4.12Å; K294-K303 HydrophobicContact CG-CD 4.37Å; T296-K303 HydrophobicContact CG2-CG 4.32Å; N301-K303 PolarHBondContact O-N 3.17Å
304	C	58.2	Low	56.6	Low	16 Å²	16	80.9 Å²	80.9	11%	0.108	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.5	178.9	-64.2	0	0	0	0	110.2	L295 S306 N309 L310	L295-C304 WeakPolarHBondContact O-CB 3.38Å; L295-C304 PolarHBondContact O-N 2.81Å; C304-S306 PolarHBondContact O-N 2.87Å; C304-N309 HydrophobicContact CB-CB 4.2Å; C304-L310 HydrophobicContact CB-CB 3.9Å
305	S	59.4	Low	57.4	Low	82 Å²	82	80 Å²	80	57%	0.573	41%	0.411	S	S	*	.	S	Bend	trans	-74.6	-10.3	-177.1	58.4	0	0	0	0	113.9	R292	R292-S305 PolarHBondContact NH1-O 3.35Å
306	S	61.7	Low	57.5	Low	29 Å²	29	81 Å²	81	20%	0.203	42%	0.416	C	S	.	.	S	Bend	trans	-153.9	160.5	177.8	92.3	0	0	0	0	112	L295 C304 L308 N309 L310	L295-S306 VanDerWaalsContact CD1-C 3.47Å; C304-S306 PolarHBondContact O-N 2.87Å; S306-L308 VanDerWaalsContact C-N 3.3Å; S306-L308 PolarHBondContact O-N 3.45Å; S306-L308 PolarHBondContact OG-N 3.17Å; S306-N309 PolarHBondContact O-N 3.06Å; S306-N309 PolarHBondContact OG-N 3.22Å; S306-N309 VanDerWaalsContact OG-N 3.16Å; S306-N309 PolarHBondContact OG-OD1 2.93Å; S306-L310 PolarHBondContact O-N 2.81Å
307	S	55.8	Low	57.3	Low	79 Å²	79	81 Å²	81	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-65.9	-34.3	177.8	159.2	0	0	0	0	112.1	L310 Q311	S307-L310 PolarHBondContact O-N 3.44Å; S307-Q311 PolarHBondContact O-N 3.47Å
308	L	62.8	Low	57.4	Low	110 Å²	110	86.6 Å²	86.6	58%	0.576	44%	0.439	S	S	*	.	H	α-helix	trans	-64.3	-45.8	176.5	-147.8	88.9	0	0	0	110.8	S306 L310 Q311 E312	S306-L308 VanDerWaalsContact C-N 3.3Å; S306-L308 PolarHBondContact O-N 3.45Å; S306-L308 PolarHBondContact OG-N 3.17Å; L308-L310 VanDerWaalsContact C-N 3.28Å; L308-L310 PolarHBondContact O-N 3.04Å; L308-Q311 PolarHBondContact O-N 2.95Å; L308-E312 PolarHBondContact O-N 3.39Å
309	N	61.8	Low	57.8	Low	76 Å²	76	85.8 Å²	85.8	41%	0.406	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-35.8	178.3	-71	52.7	0	0	0	111.8	C304 S306 H313	C304-N309 HydrophobicContact CB-CB 4.2Å; S306-N309 PolarHBondContact O-N 3.06Å; S306-N309 PolarHBondContact OG-N 3.22Å; S306-N309 VanDerWaalsContact OG-N 3.16Å; S306-N309 PolarHBondContact OG-OD1 2.93Å; N309-H313 WeakPolarHBondContact O-CB 3.44Å; N309-H313 PolarHBondContact O-N 3.09Å
310	L	64.3	Low	58.3	Low	18 Å²	18	83.5 Å²	83.5	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-69.7	-40.8	176.3	-178.8	60.1	0	0	0	112.1	L295 C297 C304 S306 S307 L308 H313 R314	L295-L310 HydrophobicContact CB-CD2 3.98Å; L295-L310 HydrophobicContact CD2-CD2 4.46Å; C297-L310 HydrophobicContact CB-CD1 3.69Å; C304-L310 HydrophobicContact CB-CB 3.9Å; S306-L310 PolarHBondContact O-N 2.81Å; S307-L310 PolarHBondContact O-N 3.44Å; L308-L310 VanDerWaalsContact C-N 3.28Å; L308-L310 PolarHBondContact O-N 3.04Å; L310-H313 PolarHBondContact O-N 2.92Å; L310-R314 WeakPolarHBondContact O-CG 3.45Å; L310-R314 PolarHBondContact O-N 3.37Å
311	Q	58.6	Low	58.5	Low	93 Å²	93	86.1 Å²	86.1	44%	0.435	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-40.1	178.3	-169.7	179.2	9.3	0	0	111.6	S307 L308 R314	S307-Q311 PolarHBondContact O-N 3.47Å; L308-Q311 PolarHBondContact O-N 2.95Å; Q311-R314 PolarHBondContact O-N 3.43Å
312	E	61.8	Low	59	Low	121 Å²	121	80.7 Å²	80.7	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-65.7	-42	172	-72.3	-174.7	156.4	0	0	111.9	L308 R314 K315	L308-E312 PolarHBondContact O-N 3.39Å; E312-R314 VanDerWaalsContact C-N 3.29Å; E312-R314 PolarHBondContact O-N 3.36Å; E312-K315 WeakPolarHBondContact O-CB 3.33Å; E312-K315 PolarHBondContact O-N 3.5Å
313	H	68.6	Low	59.7	Low	13 Å²	13	82.1 Å²	82.1	6%	0.06	41%	0.406	C	S	.	.	H	α-helix	trans	-63.5	-31.8	177.4	172.7	74.7	0	0	0	113.3	C297 C300 N309 L310 K315 I316 H317	C297-H313 VanDerWaalsContact CB-CD2 3.42Å; C297-H313 WeakPolarHBondContact CB-CD2 3.33Å; C297-H313 WeakPolarHBondContact CB-NE2 3.19Å; C297-H313 PolarHBondContact SG-CD2 3.12Å; C297-H313 PolarHBondContact SG-NE2 3.25Å; C300-H313 VanDerWaalsContact SG-CE1 3.52Å; C300-H313 PolarHBondContact SG-NE2 2.81Å; N309-H313 WeakPolarHBondContact O-CB 3.44Å; N309-H313 PolarHBondContact O-N 3.09Å; L310-H313 PolarHBondContact O-N 2.92Å; H313-K315 VanDerWaalsContact C-N 3.3Å; H313-K315 PolarHBondContact O-N 2.87Å; H313-I316 HydrophobicContact CB-CD1 4.26Å; H313-I316 WeakPolarHBondContact ND1-CD1 3.28Å; H313-I316 WeakPolarHBondContact O-CB 3.24Å; H313-I316 WeakPolarHBondContact O-CD1 3.38Å; H313-I316 WeakPolarHBondContact O-CG1 3.34Å; H313-I316 PolarHBondContact O-N 3.12Å; H313-H317 AromaticContact CD2-NE2 3.93Å; H313-H317 AromaticContact CE1-NE2 3.49Å; H313-H317 PolarHBondContact CE1-NE2 3.46Å; H313-H317 AromaticContact NE2-CD2 3.71Å; H313-H317 AromaticContact NE2-NE2 3.06Å; H313-H317 PolarHBondContact NE2-NE2 3.35Å
314	R	57.3	Low	60.1	Low	116 Å²	116	78 Å²	78	44%	0.438	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-27.6	176	-78.6	-175.6	179.4	-151.5	-0.6	113.6	L310 Q311 E312 I316 H317 E318	L310-R314 WeakPolarHBondContact O-CG 3.45Å; L310-R314 PolarHBondContact O-N 3.37Å; Q311-R314 PolarHBondContact O-N 3.43Å; E312-R314 VanDerWaalsContact C-N 3.29Å; E312-R314 PolarHBondContact O-N 3.36Å; R314-I316 PolarHBondContact O-N 3.15Å; R314-H317 WeakPolarHBondContact O-CB 3.5Å; R314-H317 PolarHBondContact O-N 2.94Å; R314-E318 PolarHBondContact O-N 3.49Å
315	K	60.4	Low	60.6	Low	131 Å²	131	78.9 Å²	78.9	57%	0.57	40%	0.404	S	S	*	.	H	α-helix	trans	-65.1	-22.8	175.6	-64.7	-179.8	179.7	176.8	0	112.8	E312 H313 H317 E318	E312-K315 WeakPolarHBondContact O-CB 3.33Å; E312-K315 PolarHBondContact O-N 3.5Å; H313-K315 VanDerWaalsContact C-N 3.3Å; H313-K315 PolarHBondContact O-N 2.87Å; K315-H317 PolarHBondContact O-N 3.39Å; K315-E318 PolarHBondContact O-N 3.38Å
316	I	56.4	Low	60.8	Low	89 Å²	89	83 Å²	83	46%	0.456	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.9	175.8	-30.6	164.7	0	0	0	111	H313 R314	H313-I316 HydrophobicContact CB-CD1 4.26Å; H313-I316 WeakPolarHBondContact ND1-CD1 3.28Å; H313-I316 WeakPolarHBondContact O-CB 3.24Å; H313-I316 WeakPolarHBondContact O-CD1 3.38Å; H313-I316 WeakPolarHBondContact O-CG1 3.34Å; H313-I316 PolarHBondContact O-N 3.12Å; R314-I316 PolarHBondContact O-N 3.15Å
317	H	48.5	Very low	60.2	Low	47 Å²	47	87.8 Å²	87.8	22%	0.218	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.5	176.2	-64.1	-66.4	0	0	0	113.6	C297 I299 C300 H313 R314 K315 I319	C297-H317 VanDerWaalsContact SG-CD2 3.57Å; I299-H317 HydrophobicContact CB-CB 4.44Å; I299-H317 HydrophobicContact CD1-CB 3.45Å; I299-H317 VanDerWaalsContact CD1-CB 3.45Å; I299-H317 HydrophobicContact CG2-CB 4.18Å; I299-H317 WeakPolarHBondContact CG2-ND1 3.49Å; C300-H317 VanDerWaalsContact SG-CE1 3.59Å; C300-H317 PolarHBondContact SG-NE2 3.12Å; H313-H317 AromaticContact CD2-NE2 3.93Å; H313-H317 AromaticContact CE1-NE2 3.49Å; H313-H317 PolarHBondContact CE1-NE2 3.46Å; H313-H317 AromaticContact NE2-CD2 3.71Å; H313-H317 AromaticContact NE2-NE2 3.06Å; H313-H317 PolarHBondContact NE2-NE2 3.35Å; R314-H317 WeakPolarHBondContact O-CB 3.5Å; R314-H317 PolarHBondContact O-N 2.94Å; K315-H317 PolarHBondContact O-N 3.39Å; H317-I319 PolarHBondContact O-N 2.76Å
318	E	53.3	Low	60.3	Low	117 Å²	117	90 Å²	90	55%	0.547	44%	0.436	S	S	.	.			trans	-70.6	91.3	168	-82.2	-173	125.5	0	0	108.4	R314 K315 F320	R314-E318 PolarHBondContact O-N 3.49Å; K315-E318 PolarHBondContact O-N 3.38Å; E318-F320 HydrophobicContact CB-CE2 4.19Å; E318-F320 HydrophobicContact CB-CZ 4.27Å; E318-F320 VanDerWaalsContact O-CD2 3.32Å; E318-F320 WeakPolarHBondContact O-CD2 3.48Å; E318-F320 VanDerWaalsContact O-CE2 3.28Å; E318-F320 WeakPolarHBondContact O-CE2 3.36Å
319	I	58.6	Low	60.2	Low	88 Å²	88	86.1 Å²	86.1	45%	0.451	42%	0.415	S	S	.	.			trans	-84.5	117.9	178.3	-65.2	172.4	0	0	0	108.1	H317 E321 K328 F329	H317-I319 PolarHBondContact O-N 2.76Å; I319-E321 HydrophobicContact CG2-CG 4.24Å; I319-K328 HydrophobicContact CG2-CB 3.46Å; I319-K328 VanDerWaalsContact CG2-CB 3.46Å; I319-K328 HydrophobicContact CG2-CD 3.87Å; I319-K328 HydrophobicContact CG2-CG 3.99Å; I319-F329 CarbonylContact C-O 3.57Å; I319-F329 WeakPolarHBondContact CA-O 3.39Å
320	F	59.3	Low	60	Low	62 Å²	62	87.2 Å²	87.2	27%	0.272	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.2	172.7	-61.5	-82.6	0	0	0	108.6	E318 F329 S331 T332 L335	E318-F320 HydrophobicContact CB-CE2 4.19Å; E318-F320 HydrophobicContact CB-CZ 4.27Å; E318-F320 VanDerWaalsContact O-CD2 3.32Å; E318-F320 WeakPolarHBondContact O-CD2 3.48Å; E318-F320 VanDerWaalsContact O-CE2 3.28Å; E318-F320 WeakPolarHBondContact O-CE2 3.36Å; F320-F329 PolarHBondContact N-O 3.49Å; F320-F329 WeakPolarHBondContact O-CD2 3.37Å; F320-F329 PolarHBondContact O-N 3.17Å; F320-S331 VanDerWaalsContact CD2-C 3.46Å; F320-T332 HydrophobicContact CD1-CG2 3.66Å; F320-T332 HydrophobicContact CD2-CG2 4.12Å; F320-T332 HydrophobicContact CE1-CG2 3.28Å; F320-T332 HydrophobicContact CE2-CG2 3.77Å; F320-T332 HydrophobicContact CG-CG2 4.08Å; F320-T332 HydrophobicContact CZ-CG2 3.36Å; F320-L335 HydrophobicContact CB-CB 4.02Å; F320-L335 HydrophobicContact CB-CD2 3.66Å; F320-L335 HydrophobicContact CB-CG 4.41Å
321	E	58.2	Low	59.4	Low	115 Å²	115	88.1 Å²	88.1	54%	0.537	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.2	-179.3	-54.6	-168.1	166.7	0	0	110.6	I319 K328	I319-E321 HydrophobicContact CG2-CG 4.24Å; E321-K328 HydrophobicContact CG-CD 4.21Å; E321-K328 HydrophobicContact CG-CG 4.08Å; E321-K328 WeakPolarHBondContact OE1-CD 3.27Å; E321-K328 WeakPolarHBondContact OE1-CE 3.33Å; E321-K328 IonicContact OE1-NZ 3.44Å; E321-K328 PolarHBondContact OE1-NZ 3.34Å
322	C	63.8	Low	59.3	Low	8 Å²	8	87 Å²	87	5%	0.054	43%	0.427	C	S	.	.			trans	-77.8	123.7	172.4	176	0	0	0	0	109.6	A324 C325 K327 F329 L335 H338 M339 H342	C322-A324 PolarHBondContact O-N 3.21Å; C322-A324 PolarHBondContact SG-N 3.05Å; C322-A324 VanDerWaalsContact SG-N 3.44Å; C322-C325 CarbonylContact C-O 3.56Å; C322-C325 WeakPolarHBondContact CB-O 3.4Å; C322-C325 CarbonylContact O-C 3.53Å; C322-C325 PolarHBondContact O-N 3.18Å; C322-C325 VanDerWaalsContact SG-SG 3.66Å; C322-K327 PolarHBondContact N-O 3.28Å; C322-F329 HydrophobicContact CB-CE2 4.01Å; C322-L335 HydrophobicContact CB-CD1 3.7Å; C322-H338 PolarHBondContact SG-NE2 2.65Å; C322-M339 HydrophobicContact CB-SD 4.45Å; C322-M339 PolarHBondContact SG-SD 3.47Å; C322-H342 PolarHBondContact SG-NE2 2.79Å; C322-H342 VanDerWaalsContact SG-NE2 3.36Å
323	H	67.4	Low	59.2	Low	176 Å²	176	86.4 Å²	86.4	82%	0.815	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.2	179	104.8	71.7	0	0	0	112.7
324	A	66.4	Low	58.8	Low	52 Å²	52	89.2 Å²	89.2	43%	0.43	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.8	-176.8	0	0	0	0	0	113.3	C322	C322-A324 PolarHBondContact O-N 3.21Å; C322-A324 PolarHBondContact SG-N 3.05Å; C322-A324 VanDerWaalsContact SG-N 3.44Å
325	C	67.8	Low	59.3	Low	35 Å²	35	85.1 Å²	85.1	24%	0.236	43%	0.428	C	S	.	.	S	Bend	trans	-162	157.3	172.6	70	0	0	0	0	111	C322 K327 H338 H342	C322-C325 CarbonylContact C-O 3.56Å; C322-C325 WeakPolarHBondContact CB-O 3.4Å; C322-C325 CarbonylContact O-C 3.53Å; C322-C325 PolarHBondContact O-N 3.18Å; C322-C325 VanDerWaalsContact SG-SG 3.66Å; C325-K327 PolarHBondContact O-N 3.5Å; C325-H338 PolarHBondContact SG-NE2 3.18Å; C325-H342 VanDerWaalsContact SG-CE1 3.54Å; C325-H342 PolarHBondContact SG-NE2 2.96Å
326	D	63.4	Low	59.7	Low	167 Å²	167	85.7 Å²	85.7	89%	0.893	43%	0.43	S	S	*	.	S	Bend	trans	-69.8	16.4	-173.7	-56.1	-49.2	0	0	0	116.1
327	K	49.5	Very low	60.1	Low	130 Å²	130	89.1 Å²	89.1	57%	0.565	44%	0.437	S	S	*	.			trans	-79.9	137.6	177.9	-66.8	-170.2	-179.6	-169.8	0	111.4	C322 C325 F329	C322-K327 PolarHBondContact N-O 3.28Å; C325-K327 PolarHBondContact O-N 3.5Å; K327-F329 HydrophobicContact CB-CE2 3.67Å; K327-F329 HydrophobicContact CB-CZ 3.64Å; K327-F329 HydrophobicContact CD-CZ 4.47Å; K327-F329 WeakPolarHBondContact O-CE2 3.24Å
328	K	59	Low	61.3	Low	125 Å²	125	88 Å²	88	54%	0.543	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.2	-172.4	-67.1	-157.4	-169	-154.7	0	110	I319 E321	I319-K328 HydrophobicContact CG2-CB 3.46Å; I319-K328 VanDerWaalsContact CG2-CB 3.46Å; I319-K328 HydrophobicContact CG2-CD 3.87Å; I319-K328 HydrophobicContact CG2-CG 3.99Å; E321-K328 HydrophobicContact CG-CD 4.21Å; E321-K328 HydrophobicContact CG-CG 4.08Å; E321-K328 WeakPolarHBondContact OE1-CD 3.27Å; E321-K328 WeakPolarHBondContact OE1-CE 3.33Å; E321-K328 IonicContact OE1-NZ 3.44Å; E321-K328 PolarHBondContact OE1-NZ 3.34Å
329	F	60.5	Low	61.8	Low	29 Å²	29	85.3 Å²	85.3	13%	0.127	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.1	-171.2	-58.9	-87	0	0	0	111.8	I319 F320 C322 K327 S331 Q334 L335 H338	I319-F329 CarbonylContact C-O 3.57Å; I319-F329 WeakPolarHBondContact CA-O 3.39Å; F320-F329 PolarHBondContact N-O 3.49Å; F320-F329 WeakPolarHBondContact O-CD2 3.37Å; F320-F329 PolarHBondContact O-N 3.17Å; C322-F329 HydrophobicContact CB-CE2 4.01Å; K327-F329 HydrophobicContact CB-CE2 3.67Å; K327-F329 HydrophobicContact CB-CZ 3.64Å; K327-F329 HydrophobicContact CD-CZ 4.47Å; K327-F329 WeakPolarHBondContact O-CE2 3.24Å; F329-S331 PolarHBondContact O-N 3.1Å; F329-Q334 HydrophobicContact CB-CB 4.25Å; F329-Q334 HydrophobicContact CD1-CB 4.09Å; F329-L335 HydrophobicContact CB-CB 4.17Å; F329-L335 HydrophobicContact CD2-CB 4.15Å; F329-L335 HydrophobicContact CD2-CD1 3.64Å; F329-L335 HydrophobicContact CD2-CG 4.49Å; F329-L335 HydrophobicContact CE2-CD1 3.93Å; F329-L335 HydrophobicContact CG-CB 4.26Å; F329-H338 HydrophobicContact CD1-CB 4.49Å; F329-H338 HydrophobicContact CE1-CB 3.75Å; F329-H338 AromaticContact CE1-CG 3.83Å; F329-H338 HydrophobicContact CE2-CB 4.09Å; F329-H338 AromaticContact CE2-CD2 3.25Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.42Å; F329-H338 AromaticContact CE2-CG 3.67Å; F329-H338 AromaticContact CE2-NE2 3.81Å; F329-H338 HydrophobicContact CZ-CB 3.54Å; F329-H338 AromaticContact CZ-CD2 3.2Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.27Å; F329-H338 AromaticContact CZ-CE1 3.88Å; F329-H338 AromaticContact CZ-CG 3.12Å; F329-H338 AromaticContact CZ-ND1 3.58Å; F329-H338 AromaticContact CZ-NE2 3.66Å
330	I	55.9	Low	62.5	Low	99 Å²	99	86.9 Å²	86.9	51%	0.508	43%	0.429	S	S	.	.	S	Bend	trans	-78.9	3.3	-178	59.1	170.6	0	0	0	114.4
331	S	51.6	Low	62.9	Low	37 Å²	37	88.6 Å²	88.6	26%	0.259	44%	0.444	S	S	.	.	S	Bend	trans	-157.4	149.2	175.8	63.8	0	0	0	0	112.7	F320 F329 N333 Q334 L335	F320-S331 VanDerWaalsContact CD2-C 3.46Å; F329-S331 PolarHBondContact O-N 3.1Å; S331-N333 VanDerWaalsContact C-N 3.29Å; S331-N333 PolarHBondContact O-N 3.29Å; S331-Q334 PolarHBondContact O-N 3.12Å; S331-Q334 WeakPolarHBondContact OG-CB 3.42Å; S331-Q334 VanDerWaalsContact OG-CG 3.22Å; S331-Q334 WeakPolarHBondContact OG-CG 3.13Å; S331-Q334 PolarHBondContact OG-NE2 3.47Å; S331-L335 PolarHBondContact O-N 3.27Å; S331-L335 VanDerWaalsContact O-N 3.11Å
332	T	57.4	Low	63.5	Low	69 Å²	69	86.9 Å²	86.9	42%	0.423	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-35.9	178.6	46.7	0	0	0	0	113.3	F320 L335 K336	F320-T332 HydrophobicContact CD1-CG2 3.66Å; F320-T332 HydrophobicContact CD2-CG2 4.12Å; F320-T332 HydrophobicContact CE1-CG2 3.28Å; F320-T332 HydrophobicContact CE2-CG2 3.77Å; F320-T332 HydrophobicContact CG-CG2 4.08Å; F320-T332 HydrophobicContact CZ-CG2 3.36Å; T332-L335 PolarHBondContact O-N 3.35Å; T332-K336 WeakPolarHBondContact O-CB 3.47Å; T332-K336 WeakPolarHBondContact O-CG 3.27Å; T332-K336 PolarHBondContact O-N 3.24Å
333	N	60	Low	63.3	Low	109 Å²	109	90.9 Å²	90.9	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-69.2	-36.1	178.1	-91.2	0.8	0	0	0	112.6	S331 R337	S331-N333 VanDerWaalsContact C-N 3.29Å; S331-N333 PolarHBondContact O-N 3.29Å; N333-R337 WeakPolarHBondContact O-CB 3.48Å; N333-R337 PolarHBondContact O-N 3.48Å
334	Q	59.3	Low	62.4	Low	72 Å²	72	85.5 Å²	85.5	34%	0.336	46%	0.457	S	S	.	.	H	α-helix	trans	-67.4	-43.5	174.1	-72.4	-174.8	46.9	0	0	111.1	F329 S331 R337 H338	F329-Q334 HydrophobicContact CB-CB 4.25Å; F329-Q334 HydrophobicContact CD1-CB 4.09Å; S331-Q334 PolarHBondContact O-N 3.12Å; S331-Q334 WeakPolarHBondContact OG-CB 3.42Å; S331-Q334 VanDerWaalsContact OG-CG 3.22Å; S331-Q334 WeakPolarHBondContact OG-CG 3.13Å; S331-Q334 PolarHBondContact OG-NE2 3.47Å; Q334-R337 PolarHBondContact O-N 3.01Å; Q334-H338 WeakPolarHBondContact O-CB 3.46Å; Q334-H338 PolarHBondContact O-N 3.34Å
335	L	69.1	Low	61.6	Low	31 Å²	31	92.4 Å²	92.4	16%	0.162	48%	0.477	C	S	.	.	H	α-helix	trans	-60.3	-46.8	173.7	177.2	62.5	0	0	0	111.3	F320 C322 F329 S331 T332 R337 H338 M339	F320-L335 HydrophobicContact CB-CB 4.02Å; F320-L335 HydrophobicContact CB-CD2 3.66Å; F320-L335 HydrophobicContact CB-CG 4.41Å; C322-L335 HydrophobicContact CB-CD1 3.7Å; F329-L335 HydrophobicContact CB-CB 4.17Å; F329-L335 HydrophobicContact CD2-CB 4.15Å; F329-L335 HydrophobicContact CD2-CD1 3.64Å; F329-L335 HydrophobicContact CD2-CG 4.49Å; F329-L335 HydrophobicContact CE2-CD1 3.93Å; F329-L335 HydrophobicContact CG-CB 4.26Å; S331-L335 PolarHBondContact O-N 3.27Å; S331-L335 VanDerWaalsContact O-N 3.11Å; T332-L335 PolarHBondContact O-N 3.35Å; L335-R337 PolarHBondContact O-N 3.05Å; L335-H338 CarbonylContact O-C 3.55Å; L335-H338 WeakPolarHBondContact O-CA 3.37Å; L335-H338 WeakPolarHBondContact O-CB 3.49Å; L335-H338 PolarHBondContact O-N 3.39Å; L335-H338 VanDerWaalsContact O-N 3.12Å; L335-M339 HydrophobicContact CD1-CG 4.15Å; L335-M339 HydrophobicContact CD1-SD 4.26Å; L335-M339 HydrophobicContact CG-CG 4.32Å; L335-M339 VanDerWaalsContact O-CG 3.31Å; L335-M339 WeakPolarHBondContact O-CG 3.45Å; L335-M339 PolarHBondContact O-N 3.25Å
336	K	67.6	Low	60.1	Low	142 Å²	142	100.8 Å²	100.8	62%	0.617	51%	0.509	S	S	*	.	H	α-helix	trans	-58.1	-45.1	178.2	-78.6	177.7	-178.7	178.9	0	112.6	T332 H338 M339 I340	T332-K336 WeakPolarHBondContact O-CB 3.47Å; T332-K336 WeakPolarHBondContact O-CG 3.27Å; T332-K336 PolarHBondContact O-N 3.24Å; K336-H338 VanDerWaalsContact C-N 3.31Å; K336-H338 PolarHBondContact O-N 3.14Å; K336-M339 PolarHBondContact O-N 3.38Å; K336-I340 PolarHBondContact O-N 2.8Å
337	R	65.3	Low	58.6	Low	161 Å²	161	97.2 Å²	97.2	61%	0.608	50%	0.503	S	S	*	.	H	α-helix	trans	-65.7	-37	176.8	-174.4	171.5	59.2	-129.2	1.2	111.6	N333 Q334 L335 I340	N333-R337 WeakPolarHBondContact O-CB 3.48Å; N333-R337 PolarHBondContact O-N 3.48Å; Q334-R337 PolarHBondContact O-N 3.01Å; L335-R337 PolarHBondContact O-N 3.05Å; R337-I340 WeakPolarHBondContact O-CB 3.42Å; R337-I340 PolarHBondContact O-N 3.43Å
338	H	73.1	Confident	58.1	Low	24 Å²	24	98.2 Å²	98.2	11%	0.111	51%	0.514	C	S	.	.	H	α-helix	trans	-65.3	-39.4	173.2	172.6	65.8	0	0	0	112.2	C322 C325 F329 Q334 L335 K336 I340 T341 H342	C322-H338 PolarHBondContact SG-NE2 2.65Å; C325-H338 PolarHBondContact SG-NE2 3.18Å; F329-H338 HydrophobicContact CD1-CB 4.49Å; F329-H338 HydrophobicContact CE1-CB 3.75Å; F329-H338 AromaticContact CE1-CG 3.83Å; F329-H338 HydrophobicContact CE2-CB 4.09Å; F329-H338 AromaticContact CE2-CD2 3.25Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.42Å; F329-H338 AromaticContact CE2-CG 3.67Å; F329-H338 AromaticContact CE2-NE2 3.81Å; F329-H338 HydrophobicContact CZ-CB 3.54Å; F329-H338 AromaticContact CZ-CD2 3.2Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.27Å; F329-H338 AromaticContact CZ-CE1 3.88Å; F329-H338 AromaticContact CZ-CG 3.12Å; F329-H338 AromaticContact CZ-ND1 3.58Å; F329-H338 AromaticContact CZ-NE2 3.66Å; Q334-H338 WeakPolarHBondContact O-CB 3.46Å; Q334-H338 PolarHBondContact O-N 3.34Å; L335-H338 CarbonylContact O-C 3.55Å; L335-H338 WeakPolarHBondContact O-CA 3.37Å; L335-H338 WeakPolarHBondContact O-CB 3.49Å; L335-H338 PolarHBondContact O-N 3.39Å; L335-H338 VanDerWaalsContact O-N 3.12Å; K336-H338 VanDerWaalsContact C-N 3.31Å; K336-H338 PolarHBondContact O-N 3.14Å; H338-I340 PolarHBondContact O-N 3.33Å; H338-T341 PolarHBondContact ND1-OG1 2.8Å; H338-T341 WeakPolarHBondContact O-CA 3.42Å; H338-T341 WeakPolarHBondContact O-CB 3.09Å; H338-T341 PolarHBondContact O-N 2.96Å; H338-T341 PolarHBondContact O-OG1 2.86Å; H338-H342 AromaticContact CD2-NE2 3.82Å; H338-H342 AromaticContact CE1-NE2 3.32Å; H338-H342 PolarHBondContact CE1-NE2 2.88Å; H338-H342 VanDerWaalsContact CE1-NE2 3.32Å; H338-H342 AromaticContact NE2-CD2 3.62Å; H338-H342 AromaticContact NE2-CE1 4Å; H338-H342 AromaticContact NE2-NE2 2.93Å; H338-H342 PolarHBondContact NE2-NE2 3.47Å
339	M	64.4	Low	56.9	Low	60 Å²	60	101 Å²	101	30%	0.296	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-25.8	177.2	-68.3	-59	-68.5	0	0	113.3	C322 L335 K336 T341 H342 S343	C322-M339 HydrophobicContact CB-SD 4.45Å; C322-M339 PolarHBondContact SG-SD 3.47Å; L335-M339 HydrophobicContact CD1-CG 4.15Å; L335-M339 HydrophobicContact CD1-SD 4.26Å; L335-M339 HydrophobicContact CG-CG 4.32Å; L335-M339 VanDerWaalsContact O-CG 3.31Å; L335-M339 WeakPolarHBondContact O-CG 3.45Å; L335-M339 PolarHBondContact O-N 3.25Å; K336-M339 PolarHBondContact O-N 3.38Å; M339-T341 PolarHBondContact O-N 2.82Å; M339-H342 PolarHBondContact O-N 3.26Å; M339-S343 PolarHBondContact O-N 3.27Å; M339-S343 PolarHBondContact O-OG 3.33Å
340	I	73.8	Confident	55.5	Low	122 Å²	122	106.8 Å²	106.8	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-63.9	-32.5	172.1	-59.4	170	0	0	0	110.8	K336 R337 H338 H342 S343	K336-I340 PolarHBondContact O-N 2.8Å; R337-I340 WeakPolarHBondContact O-CB 3.42Å; R337-I340 PolarHBondContact O-N 3.43Å; H338-I340 PolarHBondContact O-N 3.33Å; I340-H342 VanDerWaalsContact C-N 3.31Å; I340-H342 PolarHBondContact O-N 3Å; I340-S343 PolarHBondContact O-N 3.18Å; I340-S343 VanDerWaalsContact O-N 3.14Å
341	T	67.5	Low	54.6	Low	98 Å²	98	109.3 Å²	109.3	60%	0.601	57%	0.567	S	S	*	*	H	α-helix	trans	-70.8	-25.7	179.8	71.2	0	0	0	0	113.2	H338 M339	H338-T341 PolarHBondContact ND1-OG1 2.8Å; H338-T341 WeakPolarHBondContact O-CA 3.42Å; H338-T341 WeakPolarHBondContact O-CB 3.09Å; H338-T341 PolarHBondContact O-N 2.96Å; H338-T341 PolarHBondContact O-OG1 2.86Å; M339-T341 PolarHBondContact O-N 2.82Å
342	H	69.9	Low	53.7	Low	79 Å²	79	112 Å²	112	37%	0.366	59%	0.586	S	S	.	*	H	α-helix	trans	-77.3	-21	171.4	-69.3	-61.4	0	0	0	113.1	C322 C325 H338 M339 I340 G344	C322-H342 PolarHBondContact SG-NE2 2.79Å; C322-H342 VanDerWaalsContact SG-NE2 3.36Å; C325-H342 VanDerWaalsContact SG-CE1 3.54Å; C325-H342 PolarHBondContact SG-NE2 2.96Å; H338-H342 AromaticContact CD2-NE2 3.82Å; H338-H342 AromaticContact CE1-NE2 3.32Å; H338-H342 PolarHBondContact CE1-NE2 2.88Å; H338-H342 VanDerWaalsContact CE1-NE2 3.32Å; H338-H342 AromaticContact NE2-CD2 3.62Å; H338-H342 AromaticContact NE2-CE1 4Å; H338-H342 AromaticContact NE2-NE2 2.93Å; H338-H342 PolarHBondContact NE2-NE2 3.47Å; M339-H342 PolarHBondContact O-N 3.26Å; I340-H342 VanDerWaalsContact C-N 3.31Å; I340-H342 PolarHBondContact O-N 3Å; H342-G344 VanDerWaalsContact C-N 3.29Å; H342-G344 PolarHBondContact O-N 3.04Å
343	S	60	Low	52.7	Low	91 Å²	91	115 Å²	115	64%	0.636	60%	0.604	S	S	*	*	S	Bend	trans	-90.1	34.2	-171.9	-53.7	0	0	0	0	113.8	M339 I340 K345	M339-S343 PolarHBondContact O-N 3.27Å; M339-S343 PolarHBondContact O-OG 3.33Å; I340-S343 PolarHBondContact O-N 3.18Å; I340-S343 VanDerWaalsContact O-N 3.14Å; S343-K345 PolarHBondContact O-N 3.2Å
344	G	48.7	Very low	51.4	Low	64 Å²	64	116.5 Å²	116.5	66%	0.66	62%	0.617	S	S	*	*			trans	-37.5	103.4	-168	0	0	0	0	0	118	H342	H342-G344 VanDerWaalsContact C-N 3.29Å; H342-G344 PolarHBondContact O-N 3.04Å
345	K	48.8	Very low	50.4	Low	197 Å²	197	121.4 Å²	121.4	86%	0.857	64%	0.64	S	S	*	*			trans	71.7	119.9	158.8	-62.4	-178.5	179.6	174.9	0	120	S343	S343-K345 PolarHBondContact O-N 3.2Å
346	K	37.2	Very low	48.9	Very low	210 Å²	210	126 Å²	126	91%	0.913	67%	0.67	S	S	*	*				170.6	155.8	111.5	-94.4	173.1	-179.4	176.9	0	114.3
347	A	31.9	Very low	47.6	Very low	93 Å²	93	134.5 Å²	134.5	77%	0.769	70%	0.698	S	S	*	*			trans	95.9	116.2	169.2	0	0	0	0	0	115.7
348	L	38.5	Very low	46.7	Very low	151 Å²	151	133.2 Å²	133.2	79%	0.791	70%	0.702	S	S	*	*			cis	-154.8	118.8	9.4	-94.4	142.7	0	0	0	109.2	H350	L348-H350 HydrophobicContact CD2-CB 3.96Å
349	H	33.6	Very low	45.3	Very low	183 Å²	183	138.9 Å²	138.9	85%	0.847	73%	0.733	S	S	*	*			trans	-113.6	98.5	146.5	-150.6	-77.6	0	0	0	104.5
350	H	31.1	Very low	44.2	Very low	150 Å²	150	143.3 Å²	143.3	69%	0.694	76%	0.758	S	S	*	*			trans	-115.2	107.6	171.3	-159.4	-64.6	0	0	0	107	L348	L348-H350 HydrophobicContact CD2-CB 3.96Å
351	M	38.8	Very low	42.5	Very low	153 Å²	153	144.6 Å²	144.6	75%	0.754	77%	0.765	S	S	*	*			trans	-78.1	137.5	162.9	-64.9	-148.1	75.8	0	0	108.6
352	S	31.5	Very low	40.9	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	78%	0.776	S	S	*	*			trans	-175	115.5	143.4	-74.1	0	0	0	0	110
353	T	37.2	Very low	39	Very low	131 Å²	131	152.1 Å²	152.1	80%	0.804	80%	0.803	S	S	*	*			trans	38.8	124.2	139.2	56	0	0	0	0	120.5
354	V	32.9	Very low	37.5	Very low	140 Å²	140	156.4 Å²	156.4	85%	0.848	82%	0.815	S	S	*	*				-153	116.8	123.8	177.8	0	0	0	0	109.3
355	E	38.4	Very low	36.6	Very low	175 Å²	175	163.5 Å²	163.5	82%	0.818	83%	0.827	S	S	*	*			trans	-78.2	153.8	154.8	-91.1	-177.1	132.1	0	0	110.4
356	T	36.9	Very low	35.6	Very low	129 Å²	129	160.8 Å²	160.8	79%	0.791	82%	0.824	S	S	*	*			trans	69.6	111.7	164.3	51.8	0	0	0	0	119.2
357	R	39.7	Very low	35.5	Very low	320 Å²	320	156.3 Å²	156.3	100%	1.208	82%	0.816	S	S	*	*				-152.6	0	99.9	-128.2	178.5	-179.1	178.3	0.3	112.2

Retrieved 357 of 357 residues in 473 ms (Link to these results)

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