A0A077Z2A4_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z2A4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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	34.5	Very low	56.1	Low	243 Å²	243	128.6 Å²	128.6	100%	1.197	72%	0.715	S	S	*	*				0	103.9	0	-76.5	-178.7	-176.6	0	0	106	A3	M1-A3 PolarHBondContact O-N 2.94Å; M1-A3 VanDerWaalsContact O-N 3.07Å
2	E	35.6	Very low	59.3	Low	196 Å²	196	121.5 Å²	121.5	92%	0.916	68%	0.68	S	S	*	*			trans	-69.5	100.5	175.7	-159.2	155.5	-159.6	0	0	106.4	T4	E2-T4 PolarHBondContact O-N 3.07Å
3	A	38.3	Very low	61.9	Low	93 Å²	93	120.6 Å²	120.6	77%	0.769	68%	0.683	S	S	*	*			trans	-67.3	106.3	177.5	0	0	0	0	0	106.8	M1 R5	M1-A3 PolarHBondContact O-N 2.94Å; M1-A3 VanDerWaalsContact O-N 3.07Å; A3-R5 PolarHBondContact O-N 3.41Å
4	T	35.4	Very low	64.2	Low	136 Å²	136	117.1 Å²	117.1	83%	0.834	68%	0.677	S	S	*	*			trans	-54	107.3	171.1	39.8	0	0	0	0	108.2	E2	E2-T4 PolarHBondContact O-N 3.07Å
5	R	44.3	Very low	66.2	Low	203 Å²	203	109.5 Å²	109.5	77%	0.766	63%	0.633	S	S	*	*			trans	-50.2	131.9	169.8	-102.2	-178.5	178.1	179.3	-1.7	107.4	A3 T7	A3-R5 PolarHBondContact O-N 3.41Å; R5-T7 PolarHBondContact O-N 3.17Å
6	P	44.7	Very low	68	Low	114 Å²	114	104.1 Å²	104.1	74%	0.74	60%	0.6	S	S	*	*			trans	-54.2	122.7	171.6	-10.5	19.7	0	0	0	107.3	T8	P6-T8 PolarHBondContact O-N 3.1Å
7	T	50.7	Low	69.6	Low	142 Å²	142	101.1 Å²	101.1	87%	0.871	59%	0.587	S	S	*	*			trans	-59.4	103.3	171.7	43.1	0	0	0	0	107.1	R5 A9	R5-T7 PolarHBondContact O-N 3.17Å; T7-A9 PolarHBondContact O-N 3.41Å
8	T	68	Low	71	Confident	71 Å²	71	95.8 Å²	95.8	44%	0.436	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-63.7	118	173.5	46.5	0	0	0	0	107.1	P6 F314	P6-T8 PolarHBondContact O-N 3.1Å; T8-F314 WeakPolarHBondContact O-CE1 3.32Å
9	A	83.9	Confident	72.4	Confident	87 Å²	87	90.8 Å²	90.8	72%	0.719	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.2	146.3	171.7	0	0	0	0	0	109.6	T7 F314	T7-A9 PolarHBondContact O-N 3.41Å; A9-F314 VanDerWaalsContact O-CZ 3.23Å; A9-F314 WeakPolarHBondContact O-CZ 3.3Å
10	E	89.6	Confident	73.5	Confident	125 Å²	125	87.1 Å²	87.1	58%	0.584	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-58.9	135.4	172.3	-170.1	178.4	164.9	0	0	109.7	F314	E10-F314 VanDerWaalsContact CA-CE1 3.41Å; E10-F314 HydrophobicContact CB-CD1 3.93Å; E10-F314 HydrophobicContact CB-CE1 4.05Å; E10-F314 HydrophobicContact CG-CB 4.41Å; E10-F314 HydrophobicContact CG-CD1 3.95Å; E10-F314 HydrophobicContact CG-CG 4.2Å
11	P	92.3	Very high	74.5	Confident	5 Å²	5	88.1 Å²	88.1	3%	0.032	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-63.8	152.6	-178.1	25.8	-35.5	0	0	0	112	T15 I16 F264 E267 F314 L316	P11-T15 HydrophobicContact CB-CG2 3.98Å; P11-I16 HydrophobicContact CB-CG1 4.13Å; P11-I16 HydrophobicContact CG-CD1 4.15Å; P11-I16 HydrophobicContact CG-CG1 3.7Å; P11-I16 WeakPolarHBondContact O-CD1 3.45Å; P11-F264 HydrophobicContact CB-CE2 4.31Å; P11-F264 HydrophobicContact CB-CZ 3.94Å; P11-F264 HydrophobicContact CG-CE2 4.49Å; P11-F264 HydrophobicContact CG-CZ 3.96Å; P11-E267 WeakPolarHBondContact CA-OE1 3.42Å; P11-E267 WeakPolarHBondContact CB-OE1 3.47Å; P11-F314 VanDerWaalsContact CD-CE2 3.46Å; P11-F314 HydrophobicContact CG-CD2 4.24Å; P11-F314 HydrophobicContact CG-CE2 4.37Å; P11-L316 HydrophobicContact CG-CD1 4.28Å
12	S	94	Very high	77.4	Confident	43 Å²	43	76.8 Å²	76.8	30%	0.301	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.3	177.9	69.1	0	0	0	0	111.6	A14 T15 I16 E267	S12-A14 PolarHBondContact O-N 3.32Å; S12-A14 VanDerWaalsContact O-N 3.09Å; S12-T15 PolarHBondContact O-N 3.17Å; S12-T15 PolarHBondContact OG-N 2.94Å; S12-T15 PolarHBondContact OG-OG1 3.3Å; S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 3.21Å; S12-E267 WeakPolarHBondContact CB-OE2 3.42Å; S12-E267 PolarHBondContact N-OE1 3.03Å; S12-E267 PolarHBondContact N-OE2 3.24Å; S12-E267 PolarHBondContact OG-OE2 3.26Å
13	P	93.3	Very high	80.3	Confident	110 Å²	110	67.4 Å²	67.4	71%	0.714	40%	0.404	S	S	*	.	H	α-helix	trans	-54	-31.2	174.6	-28.3	35.6	0	0	0	113.9	S17	P13-S17 VanDerWaalsContact O-CB 3.29Å; P13-S17 WeakPolarHBondContact O-CB 3.42Å; P13-S17 PolarHBondContact O-N 3.21Å
14	A	94.4	Very high	82.9	Confident	72 Å²	72	65.4 Å²	65.4	60%	0.595	39%	0.387	S	S	*	.	H	α-helix	trans	-67.6	-46.6	175.7	0	0	0	0	0	111.8	S12 S17 A18	S12-A14 PolarHBondContact O-N 3.32Å; S12-A14 VanDerWaalsContact O-N 3.09Å; A14-S17 PolarHBondContact O-N 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3Å
15	T	94.9	Very high	85.7	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-43.6	175.2	-63.8	0	0	0	0	111.2	P11 S12 S17 A18 V19 F264 E267 L269	P11-T15 HydrophobicContact CB-CG2 3.98Å; S12-T15 PolarHBondContact O-N 3.17Å; S12-T15 PolarHBondContact OG-N 2.94Å; S12-T15 PolarHBondContact OG-OG1 3.3Å; T15-S17 PolarHBondContact O-N 3.28Å; T15-A18 PolarHBondContact O-N 3.32Å; T15-V19 WeakPolarHBondContact O-CG2 3.43Å; T15-V19 PolarHBondContact O-N 3.27Å; T15-F264 HydrophobicContact CG2-CD2 3.73Å; T15-F264 HydrophobicContact CG2-CE2 3.83Å; T15-F264 HydrophobicContact CG2-CG 4.45Å; T15-E267 VanDerWaalsContact CB-OE2 3.28Å; T15-E267 WeakPolarHBondContact CB-OE2 3.2Å; T15-E267 PolarHBondContact OG1-OE2 2.85Å; T15-L269 HydrophobicContact CG2-CB 4.42Å; T15-L269 HydrophobicContact CG2-CD2 4.49Å
16	I	94.5	Very high	88	Confident	22 Å²	22	52.1 Å²	52.1	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-50.4	176	-64.8	166.2	0	0	0	110.4	P11 S12 A18 V19 Q20 L311 L316	P11-I16 HydrophobicContact CB-CG1 4.13Å; P11-I16 HydrophobicContact CG-CD1 4.15Å; P11-I16 HydrophobicContact CG-CG1 3.7Å; P11-I16 WeakPolarHBondContact O-CD1 3.45Å; S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 3.21Å; I16-A18 PolarHBondContact O-N 3.23Å; I16-V19 PolarHBondContact O-N 3.25Å; I16-Q20 HydrophobicContact CG2-CG 4.36Å; I16-Q20 WeakPolarHBondContact O-CG 3.31Å; I16-Q20 PolarHBondContact O-N 3.28Å; I16-L311 HydrophobicContact CG1-CD2 4.44Å; I16-L316 HydrophobicContact CD1-CD1 3.54Å; I16-L316 HydrophobicContact CG1-CD1 3.84Å
17	S	94.6	Very high	90.2	Very high	53 Å²	53	48.9 Å²	48.9	37%	0.371	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178.5	178.9	0	0	0	0	112.4	P13 A14 T15 V19 Q20 K21	P13-S17 VanDerWaalsContact O-CB 3.29Å; P13-S17 WeakPolarHBondContact O-CB 3.42Å; P13-S17 PolarHBondContact O-N 3.21Å; A14-S17 PolarHBondContact O-N 3.28Å; T15-S17 PolarHBondContact O-N 3.28Å; S17-V19 PolarHBondContact O-N 2.92Å; S17-Q20 PolarHBondContact O-N 2.99Å; S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 PolarHBondContact O-N 3.37Å
18	A	96	Very high	92.2	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-42.2	176.3	0	0	0	0	0	112.1	A14 T15 I16 F22 L269	A14-A18 WeakPolarHBondContact O-CB 3.29Å; A14-A18 PolarHBondContact O-N 3Å; T15-A18 PolarHBondContact O-N 3.32Å; I16-A18 PolarHBondContact O-N 3.23Å; A18-F22 WeakPolarHBondContact O-CB 3.35Å; A18-F22 PolarHBondContact O-N 2.99Å; A18-L269 HydrophobicContact CB-CD2 4.06Å; A18-L269 HydrophobicContact CB-CG 4.14Å
19	V	96	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-52.2	174.5	168.9	0	0	0	0	111.2	T15 I16 S17 K21 F22 L23 F264 L269 F307 L311	T15-V19 WeakPolarHBondContact O-CG2 3.43Å; T15-V19 PolarHBondContact O-N 3.27Å; I16-V19 PolarHBondContact O-N 3.25Å; S17-V19 PolarHBondContact O-N 2.92Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.23Å; V19-F22 WeakPolarHBondContact O-CB 3.45Å; V19-F22 PolarHBondContact O-N 2.91Å; V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.05Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.46Å; V19-F264 HydrophobicContact CG2-CD2 3.68Å; V19-F264 HydrophobicContact CG2-CE2 3.81Å; V19-L269 HydrophobicContact CG2-CD2 3.5Å; V19-L269 VanDerWaalsContact CG2-CD2 3.5Å; V19-F307 HydrophobicContact CB-CD2 4.47Å; V19-F307 HydrophobicContact CG1-CB 3.68Å; V19-F307 HydrophobicContact CG1-CD2 4.19Å; V19-F307 HydrophobicContact CG1-CG 4.21Å; V19-F307 HydrophobicContact CG2-CB 4.36Å; V19-F307 HydrophobicContact CG2-CD2 3.94Å; V19-F307 HydrophobicContact CG2-CE2 4.35Å; V19-F307 HydrophobicContact CG2-CG 4.07Å; V19-L311 HydrophobicContact CB-CD1 4.41Å; V19-L311 HydrophobicContact CG1-CD1 3.57Å; V19-L311 HydrophobicContact CG1-CD2 4.32Å; V19-L311 HydrophobicContact CG1-CG 3.86Å
20	Q	94.7	Very high	93.4	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-41.8	-177.8	-73.2	177.7	-32.2	0	0	111.7	I16 S17 L23 A24 L311 S317 E319 M320	I16-Q20 HydrophobicContact CG2-CG 4.36Å; I16-Q20 WeakPolarHBondContact O-CG 3.31Å; I16-Q20 PolarHBondContact O-N 3.28Å; S17-Q20 PolarHBondContact O-N 2.99Å; Q20-L23 PolarHBondContact O-N 3.42Å; Q20-A24 PolarHBondContact O-N 3.02Å; Q20-L311 HydrophobicContact CG-CD1 4.23Å; Q20-S317 PolarHBondContact NE2-O 3Å; Q20-E319 PolarHBondContact NE2-O 3.29Å; Q20-M320 HydrophobicContact CB-CG 4.03Å; Q20-M320 HydrophobicContact CB-SD 3.88Å
21	K	95.1	Very high	93.1	Very high	110 Å²	110	41.2 Å²	41.2	48%	0.478	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-46	173.7	-176.7	-178	173	-168.7	0	112.1	S17 V19 L23 A24 E25 A271	S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 PolarHBondContact O-N 3.37Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.23Å; K21-L23 PolarHBondContact O-N 3.3Å; K21-A24 PolarHBondContact O-N 3.39Å; K21-E25 PolarHBondContact O-N 2.85Å; K21-A271 PolarHBondContact NZ-O 2.77Å; K21-A271 VanDerWaalsContact NZ-O 3.07Å
22	F	96.3	Very high	92.2	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-43.8	176.7	177.2	-90.6	0	0	0	112	A18 V19 A24 E25 V26 F273 V275 I303 F307	A18-F22 WeakPolarHBondContact O-CB 3.35Å; A18-F22 PolarHBondContact O-N 2.99Å; V19-F22 WeakPolarHBondContact O-CB 3.45Å; V19-F22 PolarHBondContact O-N 2.91Å; F22-A24 PolarHBondContact O-N 2.94Å; F22-E25 PolarHBondContact O-N 3.29Å; F22-V26 HydrophobicContact CD1-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 3.67Å; F22-V26 HydrophobicContact CE2-CG2 4.26Å; F22-V26 HydrophobicContact CZ-CG2 3.7Å; F22-V26 WeakPolarHBondContact O-CG2 3.38Å; F22-V26 PolarHBondContact O-N 2.92Å; F22-F273 AromaticContact CD2-CD1 3.78Å; F22-F273 HydrophobicContact CD2-CD1 3.78Å; F22-F273 AromaticContact CD2-CE1 3.9Å; F22-F273 HydrophobicContact CD2-CE1 3.9Å; F22-F273 HydrophobicContact CE2-CD1 4.09Å; F22-F273 AromaticContact CE2-CE1 3.74Å; F22-F273 HydrophobicContact CE2-CE1 3.74Å; F22-F273 HydrophobicContact CG-CD1 4.49Å; F22-F273 HydrophobicContact CZ-CE1 4.4Å; F22-V275 HydrophobicContact CE2-CG2 3.74Å; F22-V275 HydrophobicContact CZ-CG2 3.9Å; F22-I303 HydrophobicContact CD1-CG2 4.24Å; F22-I303 HydrophobicContact CE1-CB 3.99Å; F22-I303 HydrophobicContact CE1-CG2 3.48Å; F22-I303 VanDerWaalsContact CE1-CG2 3.48Å; F22-I303 HydrophobicContact CE2-CG2 4.35Å; F22-I303 HydrophobicContact CZ-CB 3.89Å; F22-I303 HydrophobicContact CZ-CG2 3.53Å; F22-F307 AromaticContact CD1-CD2 3.79Å; F22-F307 HydrophobicContact CD1-CD2 3.79Å; F22-F307 HydrophobicContact CD1-CE2 4.14Å; F22-F307 HydrophobicContact CE1-CD2 4.29Å; F22-F307 HydrophobicContact CG-CD2 4.32Å; F22-F307 HydrophobicContact CG-CE2 4.32Å
23	L	95.3	Very high	91	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-45.8	178.3	-63.7	178.3	0	0	0	111	V19 Q20 K21 E25 V26 D27 Y304 F307 L311 V318	V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.05Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.46Å; Q20-L23 PolarHBondContact O-N 3.42Å; K21-L23 PolarHBondContact O-N 3.3Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.46Å; L23-V26 PolarHBondContact O-N 3.17Å; L23-D27 PolarHBondContact O-N 3.3Å; L23-Y304 HydrophobicContact CB-CD2 4.14Å; L23-Y304 HydrophobicContact CB-CE2 3.88Å; L23-Y304 HydrophobicContact CD2-CD1 4.37Å; L23-Y304 HydrophobicContact CD2-CD2 3.3Å; L23-Y304 HydrophobicContact CD2-CE2 3.67Å; L23-Y304 HydrophobicContact CD2-CG 3.71Å; L23-Y304 WeakPolarHBondContact CD2-O 3.32Å; L23-Y304 HydrophobicContact CG-CD2 4.31Å; L23-Y304 HydrophobicContact CG-CE2 4.34Å; L23-F307 HydrophobicContact CD2-CB 4.25Å; L23-L311 HydrophobicContact CD1-CD1 4.14Å; L23-V318 HydrophobicContact CB-CG1 3.79Å; L23-V318 HydrophobicContact CD1-CB 4.28Å; L23-V318 HydrophobicContact CD1-CG1 3.75Å; L23-V318 HydrophobicContact CD1-CG2 3.91Å; L23-V318 HydrophobicContact CG-CG1 4.42Å
24	A	93.5	Very high	89.2	Confident	50 Å²	50	49.2 Å²	49.2	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-38.3	176.9	0	0	0	0	0	113.1	Q20 K21 F22 D27 S28	Q20-A24 PolarHBondContact O-N 3.02Å; K21-A24 PolarHBondContact O-N 3.39Å; F22-A24 PolarHBondContact O-N 2.94Å; A24-D27 PolarHBondContact O-N 3.4Å; A24-S28 PolarHBondContact O-N 3.06Å
25	E	92.8	Very high	87.4	Confident	61 Å²	61	48.7 Å²	48.7	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-46.2	175.5	-176.6	-174.4	150.6	0	0	111.5	K21 F22 L23 S28 K29	K21-E25 PolarHBondContact O-N 2.85Å; F22-E25 PolarHBondContact O-N 3.29Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-E25 PolarHBondContact O-N 3.46Å; E25-S28 WeakPolarHBondContact O-CB 3.4Å; E25-S28 PolarHBondContact O-N 2.93Å; E25-K29 WeakPolarHBondContact O-CG 3.34Å; E25-K29 PolarHBondContact O-N 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.45Å; E25-K29 IonicContact OE1-NZ 2.61Å; E25-K29 PolarHBondContact OE1-NZ 3.42Å
26	V	93.2	Very high	86.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-40.9	176.8	171.4	0	0	0	0	111.3	F22 L23 S28 K29 N30 H300 Y304	F22-V26 HydrophobicContact CD1-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 3.67Å; F22-V26 HydrophobicContact CE2-CG2 4.26Å; F22-V26 HydrophobicContact CZ-CG2 3.7Å; F22-V26 WeakPolarHBondContact O-CG2 3.38Å; F22-V26 PolarHBondContact O-N 2.92Å; L23-V26 PolarHBondContact O-N 3.17Å; V26-S28 VanDerWaalsContact C-N 3.26Å; V26-S28 PolarHBondContact O-N 2.87Å; V26-K29 PolarHBondContact O-N 3.48Å; V26-N30 WeakPolarHBondContact O-CB 3.48Å; V26-N30 VanDerWaalsContact O-CG 3.27Å; V26-N30 PolarHBondContact O-N 2.89Å; V26-N30 PolarHBondContact O-ND2 3.28Å; V26-H300 HydrophobicContact CG2-CB 4.45Å; V26-Y304 HydrophobicContact CB-CD2 3.75Å; V26-Y304 HydrophobicContact CB-CE2 4.47Å; V26-Y304 HydrophobicContact CG1-CD2 3.63Å; V26-Y304 HydrophobicContact CG1-CE2 4.4Å; V26-Y304 HydrophobicContact CG1-CG 4.05Å; V26-Y304 HydrophobicContact CG2-CD2 4.49Å
27	D	92.3	Very high	84.9	Confident	46 Å²	46	54.6 Å²	54.6	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-36.1	174.9	-74.7	-26.2	0	0	0	111.7	L23 A24 R31 Y304	L23-D27 PolarHBondContact O-N 3.3Å; A24-D27 PolarHBondContact O-N 3.4Å; D27-R31 WeakPolarHBondContact O-CG 3.32Å; D27-R31 PolarHBondContact O-N 2.9Å; D27-R31 PolarHBondContact O-NH1 2.85Å; D27-Y304 WeakPolarHBondContact OD1-CE2 3.39Å; D27-Y304 PolarHBondContact OD1-OH 3.49Å; D27-Y304 PolarHBondContact OD2-OH 3.36Å
28	S	90.7	Very high	84	Confident	43 Å²	43	59.6 Å²	59.6	30%	0.301	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-50.8	173.1	-157	0	0	0	0	112.1	A24 E25 V26 N30 R31 D32	A24-S28 PolarHBondContact O-N 3.06Å; E25-S28 WeakPolarHBondContact O-CB 3.4Å; E25-S28 PolarHBondContact O-N 2.93Å; V26-S28 VanDerWaalsContact C-N 3.26Å; V26-S28 PolarHBondContact O-N 2.87Å; S28-N30 PolarHBondContact O-N 2.79Å; S28-R31 VanDerWaalsContact CA-NH2 3.29Å; S28-R31 WeakPolarHBondContact O-CB 3.5Å; S28-R31 PolarHBondContact O-N 3.39Å; S28-D32 PolarHBondContact O-N 3.47Å; S28-D32 VanDerWaalsContact O-N 3.1Å
29	K	89.8	Confident	83.5	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-37.5	178.2	-72.1	173.5	-176.4	168.1	0	112.8	E25 V26 D32 A33 E40 Y41 H300	E25-K29 WeakPolarHBondContact O-CG 3.34Å; E25-K29 PolarHBondContact O-N 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.45Å; E25-K29 IonicContact OE1-NZ 2.61Å; E25-K29 PolarHBondContact OE1-NZ 3.42Å; V26-K29 PolarHBondContact O-N 3.48Å; K29-D32 PolarHBondContact O-N 3.01Å; K29-A33 PolarHBondContact O-N 3.1Å; K29-E40 VanDerWaalsContact CE-CD 3.49Å; K29-E40 WeakPolarHBondContact CE-OE1 3.48Å; K29-E40 HydrophobicContact CG-CB 4.26Å; K29-E40 HydrophobicContact CG-CG 4.36Å; K29-E40 VanDerWaalsContact CG-OE2 3.31Å; K29-E40 WeakPolarHBondContact CG-OE2 3.44Å; K29-Y41 HydrophobicContact CB-CE1 4.09Å; K29-Y41 HydrophobicContact CB-CE2 3.78Å; K29-Y41 WeakPolarHBondContact CB-OH 3.43Å; K29-Y41 HydrophobicContact CD-CD1 4.33Å; K29-Y41 HydrophobicContact CD-CE1 3.71Å; K29-Y41 HydrophobicContact CG-CE1 4.47Å; K29-H300 PolarHBondContact NZ-NE2 2.99Å
30	N	87.6	Confident	83.3	Confident	61 Å²	61	62.7 Å²	62.7	33%	0.326	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-33.8	177.3	-74.5	-27.9	0	0	0	112.4	V26 S28 Y41	V26-N30 WeakPolarHBondContact O-CB 3.48Å; V26-N30 VanDerWaalsContact O-CG 3.27Å; V26-N30 PolarHBondContact O-N 2.89Å; V26-N30 PolarHBondContact O-ND2 3.28Å; S28-N30 PolarHBondContact O-N 2.79Å; N30-Y41 PolarHBondContact OD1-OH 3.41Å
31	R	83.4	Confident	83.2	Confident	159 Å²	159	62.2 Å²	62.2	60%	0.6	34%	0.335	S	S	*	.	H	α-helix	trans	-69.5	-38.1	173.7	-71.9	-175.5	-63	-94	3.7	112.1	D27 S28 A33	D27-R31 WeakPolarHBondContact O-CG 3.32Å; D27-R31 PolarHBondContact O-N 2.9Å; D27-R31 PolarHBondContact O-NH1 2.85Å; S28-R31 VanDerWaalsContact CA-NH2 3.29Å; S28-R31 WeakPolarHBondContact O-CB 3.5Å; S28-R31 PolarHBondContact O-N 3.39Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.24Å
32	D	73.5	Confident	83	Confident	94 Å²	94	57.7 Å²	57.7	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-80.2	-6.1	-178.7	-61.9	-28	0	0	0	113.4	S28 K29 E34	S28-D32 PolarHBondContact O-N 3.47Å; S28-D32 VanDerWaalsContact O-N 3.1Å; K29-D32 PolarHBondContact O-N 3.01Å; D32-E34 PolarHBondContact O-N 3.03Å; D32-E34 VanDerWaalsContact O-N 3.07Å
33	A	68.8	Low	82.9	Confident	41 Å²	41	62.5 Å²	62.5	34%	0.339	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.8	-175.6	0	0	0	0	0	114.4	K29 R31 S35	K29-A33 PolarHBondContact O-N 3.1Å; R31-A33 VanDerWaalsContact C-N 3.26Å; R31-A33 PolarHBondContact O-N 3.24Å; A33-S35 PolarHBondContact O-N 3.29Å
34	E	56	Low	82.9	Confident	190 Å²	190	64.1 Å²	64.1	89%	0.888	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	8.8	-177.4	-68.1	-168.5	160.2	0	0	115.3	D32	D32-E34 PolarHBondContact O-N 3.03Å; D32-E34 VanDerWaalsContact O-N 3.07Å
35	S	57.1	Low	83	Confident	61 Å²	61	62.2 Å²	62.2	43%	0.427	33%	0.332	S	S	.	.	S	Bend	trans	-133.4	95.3	166.4	151.1	0	0	0	0	110	A33 A37 F38 S39	A33-S35 PolarHBondContact O-N 3.29Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.49Å; S35-A37 VanDerWaalsContact O-N 3.17Å; S35-F38 PolarHBondContact O-N 3.5Å; S35-S39 PolarHBondContact O-N 2.88Å
36	S	68.5	Low	83.1	Confident	83 Å²	83	64 Å²	64	58%	0.58	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.2	-160.5	83.6	0	0	0	0	115.1	S39 R293	S36-S39 PolarHBondContact O-OG 3.37Å; S36-R293 PolarHBondContact O-NH1 3.02Å
37	A	67.4	Low	83.3	Confident	66 Å²	66	69.1 Å²	69.1	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-28.1	-177.1	0	0	0	0	0	113.6	S35	S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.49Å; S35-A37 VanDerWaalsContact O-N 3.17Å
38	F	75	Confident	83.6	Confident	159 Å²	159	67 Å²	67	70%	0.697	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	11.6	-176.6	-59.8	-76.1	0	0	0	113.1	S35	S35-F38 PolarHBondContact O-N 3.5Å
39	S	86.4	Confident	83.8	Confident	10 Å²	10	71 Å²	71	7%	0.07	36%	0.362	C	S	.	.	S	Bend	trans	-54.8	148.2	171.9	62	0	0	0	0	110.4	S35 S36 Y41 A42 M43	S35-S39 PolarHBondContact O-N 2.88Å; S36-S39 PolarHBondContact O-OG 3.37Å; S39-Y41 PolarHBondContact O-N 3.06Å; S39-Y41 VanDerWaalsContact O-N 3.17Å; S39-A42 WeakPolarHBondContact O-CB 3.36Å; S39-A42 PolarHBondContact O-N 2.98Å; S39-A42 WeakPolarHBondContact OG-CB 3.46Å; S39-A42 PolarHBondContact OG-N 3.06Å; S39-M43 PolarHBondContact O-N 2.61Å
40	E	91	Very high	84.1	Confident	61 Å²	61	75.9 Å²	75.9	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-36.3	177.6	-168.4	179.8	158.8	0	0	111.4	K29 A42 M43 Q44	K29-E40 VanDerWaalsContact CE-CD 3.49Å; K29-E40 WeakPolarHBondContact CE-OE1 3.48Å; K29-E40 HydrophobicContact CG-CB 4.26Å; K29-E40 HydrophobicContact CG-CG 4.36Å; K29-E40 VanDerWaalsContact CG-OE2 3.31Å; K29-E40 WeakPolarHBondContact CG-OE2 3.44Å; E40-A42 PolarHBondContact O-N 2.95Å; E40-M43 PolarHBondContact O-N 3.43Å; E40-Q44 HydrophobicContact CG-CG 4.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.23Å; E40-Q44 VanDerWaalsContact O-CG 3.31Å; E40-Q44 WeakPolarHBondContact O-CG 3.37Å; E40-Q44 PolarHBondContact O-N 3.35Å; E40-Q44 PolarHBondContact OE1-NE2 3.05Å
41	Y	93.3	Very high	84.5	Confident	6 Å²	6	75.7 Å²	75.7	2%	0.024	39%	0.385	C	S	.	.	H	α-helix	trans	-58.4	-44.7	172.5	-67.5	-56.2	0	0	0	113.3	K29 N30 S39 F45 Y296 V297 H300	K29-Y41 HydrophobicContact CB-CE1 4.09Å; K29-Y41 HydrophobicContact CB-CE2 3.78Å; K29-Y41 WeakPolarHBondContact CB-OH 3.43Å; K29-Y41 HydrophobicContact CD-CD1 4.33Å; K29-Y41 HydrophobicContact CD-CE1 3.71Å; K29-Y41 HydrophobicContact CG-CE1 4.47Å; N30-Y41 PolarHBondContact OD1-OH 3.41Å; S39-Y41 PolarHBondContact O-N 3.06Å; S39-Y41 VanDerWaalsContact O-N 3.17Å; Y41-F45 VanDerWaalsContact O-CB 3.23Å; Y41-F45 WeakPolarHBondContact O-CB 3.43Å; Y41-F45 PolarHBondContact O-N 3.31Å; Y41-Y296 HydrophobicContact CD1-CD1 4.44Å; Y41-Y296 HydrophobicContact CD1-CE1 4.44Å; Y41-V297 HydrophobicContact CD1-CG2 4.2Å; Y41-V297 HydrophobicContact CD2-CG2 3.93Å; Y41-V297 HydrophobicContact CG-CG2 3.72Å; Y41-H300 AromaticContact CD1-CE1 3.91Å; Y41-H300 AromaticContact CD1-ND1 3.89Å; Y41-H300 HydrophobicContact CE1-CB 3.89Å; Y41-H300 AromaticContact CE1-CD2 3.7Å; Y41-H300 AromaticContact CE1-CE1 3.77Å; Y41-H300 AromaticContact CE1-CG 3.49Å; Y41-H300 VanDerWaalsContact CE1-CG 3.49Å; Y41-H300 AromaticContact CE1-ND1 3.57Å; Y41-H300 AromaticContact CE1-NE2 3.87Å
42	A	92	Very high	85	Confident	15 Å²	15	68.6 Å²	68.6	12%	0.124	36%	0.36	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178.9	0	0	0	0	0	111.2	S39 E40 L46	S39-A42 WeakPolarHBondContact O-CB 3.36Å; S39-A42 PolarHBondContact O-N 2.98Å; S39-A42 WeakPolarHBondContact OG-CB 3.46Å; S39-A42 PolarHBondContact OG-N 3.06Å; E40-A42 PolarHBondContact O-N 2.95Å; A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.09Å; A42-L46 PolarHBondContact O-N 3.49Å
43	M	93.3	Very high	85.9	Confident	106 Å²	106	67.2 Å²	67.2	52%	0.522	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-47.3	178.7	-66.1	-170.4	-68.2	0	0	112.1	S39 E40 L46 K47	S39-M43 PolarHBondContact O-N 2.61Å; E40-M43 PolarHBondContact O-N 3.43Å; M43-L46 PolarHBondContact O-N 3.24Å; M43-K47 WeakPolarHBondContact O-CB 3.49Å; M43-K47 PolarHBondContact O-N 3.48Å
44	Q	95.3	Very high	87.1	Confident	34 Å²	34	70.4 Å²	70.4	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-47.3	177.2	-74.2	-174.2	4.9	0	0	110.8	E40 L46 K47 I48 Y276 Y296	E40-Q44 HydrophobicContact CG-CG 4.27Å; E40-Q44 WeakPolarHBondContact O-CB 3.23Å; E40-Q44 VanDerWaalsContact O-CG 3.31Å; E40-Q44 WeakPolarHBondContact O-CG 3.37Å; E40-Q44 PolarHBondContact O-N 3.35Å; E40-Q44 PolarHBondContact OE1-NE2 3.05Å; Q44-L46 PolarHBondContact O-N 3.35Å; Q44-K47 WeakPolarHBondContact O-CB 3.37Å; Q44-K47 PolarHBondContact O-N 3.05Å; Q44-I48 WeakPolarHBondContact O-CG1 3.33Å; Q44-I48 PolarHBondContact O-N 3.37Å; Q44-Y276 HydrophobicContact CB-CD2 4.22Å; Q44-Y296 HydrophobicContact CB-CE1 3.9Å; Q44-Y296 PolarHBondContact OE1-OH 2.95Å
45	F	95.9	Very high	88.9	Confident	9 Å²	9	61.7 Å²	61.7	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-65.4	-40.3	-179.5	-173.3	-108.1	0	0	0	112.9	Y41 K47 I48 R49 R283 V290 Q291 T292 R293 Y296	Y41-F45 VanDerWaalsContact O-CB 3.23Å; Y41-F45 WeakPolarHBondContact O-CB 3.43Å; Y41-F45 PolarHBondContact O-N 3.31Å; F45-K47 VanDerWaalsContact C-N 3.32Å; F45-I48 PolarHBondContact O-N 3.15Å; F45-R49 HydrophobicContact CD1-CG 4.46Å; F45-R49 HydrophobicContact CE1-CG 4.04Å; F45-R49 HydrophobicContact CZ-CG 4.18Å; F45-R49 WeakPolarHBondContact O-CG 3.47Å; F45-R49 PolarHBondContact O-N 2.99Å; F45-R283 VanDerWaalsContact CE2-NH2 3.29Å; F45-V290 HydrophobicContact CE2-CG1 4.39Å; F45-V290 WeakPolarHBondContact CE2-O 3.25Å; F45-Q291 WeakPolarHBondContact CZ-O 3.27Å; F45-T292 VanDerWaalsContact CE1-C 3.48Å; F45-R293 HydrophobicContact CD1-CB 3.84Å; F45-R293 HydrophobicContact CE1-CB 4.36Å; F45-R293 VanDerWaalsContact CE1-N 3.33Å; F45-R293 HydrophobicContact CG-CB 4.3Å; F45-Y296 HydrophobicContact CB-CD1 3.89Å; F45-Y296 HydrophobicContact CB-CE1 4.32Å; F45-Y296 HydrophobicContact CB-CG 4.25Å; F45-Y296 HydrophobicContact CD2-CD1 4.24Å; F45-Y296 HydrophobicContact CD2-CD2 4.05Å; F45-Y296 AromaticContact CD2-CG 3.73Å; F45-Y296 HydrophobicContact CD2-CG 3.73Å; F45-Y296 HydrophobicContact CG-CD1 4.48Å; F45-Y296 HydrophobicContact CG-CG 4.36Å
46	L	95.7	Very high	90.4	Very high	98 Å²	98	67 Å²	67	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-44	174	178.2	60.7	0	0	0	111	A42 M43 Q44 I48 R49 L50	A42-L46 VanDerWaalsContact O-CB 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.09Å; A42-L46 PolarHBondContact O-N 3.49Å; M43-L46 PolarHBondContact O-N 3.24Å; Q44-L46 PolarHBondContact O-N 3.35Å; L46-I48 PolarHBondContact O-N 2.97Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 3.15Å; L46-R49 VanDerWaalsContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 4.34Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.5Å
47	K	96.8	Very high	91.4	Very high	109 Å²	109	71.3 Å²	71.3	47%	0.474	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-46.8	176.8	-172	-175.7	172	-170.5	0	111.8	M43 Q44 F45 R49 L50 E51 Y276	M43-K47 WeakPolarHBondContact O-CB 3.49Å; M43-K47 PolarHBondContact O-N 3.48Å; Q44-K47 WeakPolarHBondContact O-CB 3.37Å; Q44-K47 PolarHBondContact O-N 3.05Å; F45-K47 VanDerWaalsContact C-N 3.32Å; K47-R49 VanDerWaalsContact C-N 3.28Å; K47-R49 PolarHBondContact O-N 3.22Å; K47-L50 PolarHBondContact O-N 3.27Å; K47-E51 WeakPolarHBondContact CE-OE1 3.36Å; K47-E51 HydrophobicContact CG-CG 4.4Å; K47-E51 IonicContact NZ-OE1 3.74Å; K47-E51 WeakPolarHBondContact O-CG 3.15Å; K47-E51 PolarHBondContact O-N 3.17Å; K47-Y276 HydrophobicContact CB-CE2 4.16Å; K47-Y276 HydrophobicContact CD-CE2 3.9Å; K47-Y276 WeakPolarHBondContact CD-OH 3.32Å; K47-Y276 WeakPolarHBondContact CE-OH 3.48Å; K47-Y276 HydrophobicContact CG-CE2 4.13Å; K47-Y276 WeakPolarHBondContact CG-OH 2.87Å
48	I	97.2	Very high	92.7	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-41.6	175.4	-59.4	167.8	0	0	0	110.5	Q44 F45 L46 S52 Y276 V279 R283 Y296	Q44-I48 WeakPolarHBondContact O-CG1 3.33Å; Q44-I48 PolarHBondContact O-N 3.37Å; F45-I48 PolarHBondContact O-N 3.15Å; L46-I48 PolarHBondContact O-N 2.97Å; I48-S52 WeakPolarHBondContact O-CB 3.3Å; I48-S52 PolarHBondContact O-N 2.92Å; I48-S52 PolarHBondContact O-OG 3.04Å; I48-Y276 HydrophobicContact CB-CE2 4.49Å; I48-Y276 HydrophobicContact CD1-CD2 3.77Å; I48-Y276 HydrophobicContact CD1-CE2 4.17Å; I48-Y276 HydrophobicContact CD1-CG 4.36Å; I48-Y276 HydrophobicContact CG1-CD2 3.44Å; I48-Y276 VanDerWaalsContact CG1-CD2 3.44Å; I48-Y276 HydrophobicContact CG1-CE2 3.32Å; I48-Y276 HydrophobicContact CG1-CG 4.24Å; I48-V279 HydrophobicContact CD1-CB 4.18Å; I48-V279 HydrophobicContact CD1-CG1 4.15Å; I48-V279 HydrophobicContact CG2-CG1 4.09Å; I48-R283 VanDerWaalsContact CG2-NH1 3.32Å; I48-R283 PolarHBondContact O-NH1 2.77Å; I48-Y296 HydrophobicContact CD1-CD2 4.23Å; I48-Y296 HydrophobicContact CD1-CE2 3.45Å; I48-Y296 VanDerWaalsContact CD1-CE2 3.45Å
49	R	96.2	Very high	93.6	Very high	127 Å²	127	70.2 Å²	70.2	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-53.5	177.2	-73.2	-174.4	67	170.6	2.3	111.6	F45 L46 K47 S52 D53 R283	F45-R49 HydrophobicContact CD1-CG 4.46Å; F45-R49 HydrophobicContact CE1-CG 4.04Å; F45-R49 HydrophobicContact CZ-CG 4.18Å; F45-R49 WeakPolarHBondContact O-CG 3.47Å; F45-R49 PolarHBondContact O-N 2.99Å; L46-R49 WeakPolarHBondContact O-CB 3.43Å; L46-R49 PolarHBondContact O-N 3.15Å; L46-R49 VanDerWaalsContact O-N 3.15Å; K47-R49 VanDerWaalsContact C-N 3.28Å; K47-R49 PolarHBondContact O-N 3.22Å; R49-S52 PolarHBondContact O-N 3.15Å; R49-S52 PolarHBondContact O-OG 3.37Å; R49-D53 PolarHBondContact O-N 2.98Å; R49-R283 VanDerWaalsContact CA-NH1 3.3Å
50	L	95.8	Very high	94	Very high	104 Å²	104	75 Å²	75	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-58.6	-50.2	-179.4	-66.9	172.5	0	0	0	111.5	L46 K47 S52 D53	L46-L50 HydrophobicContact CD1-CD1 4.34Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.5Å; K47-L50 PolarHBondContact O-N 3.27Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.1Å; L50-D53 PolarHBondContact O-N 3.21Å
51	E	95.6	Very high	94.3	Very high	57 Å²	57	73.3 Å²	73.3	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-33.8	179.4	-66.6	-177.3	173.4	0	0	112.5	K47 Y276 Y280	K47-E51 WeakPolarHBondContact CE-OE1 3.36Å; K47-E51 HydrophobicContact CG-CG 4.4Å; K47-E51 IonicContact NZ-OE1 3.74Å; K47-E51 WeakPolarHBondContact O-CG 3.15Å; K47-E51 PolarHBondContact O-N 3.17Å; E51-Y276 PolarHBondContact OE1-OH 2.75Å; E51-Y276 PolarHBondContact OE2-OH 2.89Å; E51-Y280 HydrophobicContact CB-CD2 4.42Å; E51-Y280 HydrophobicContact CB-CE2 3.68Å
52	S	94.4	Very high	94.5	Very high	11 Å²	11	75.4 Å²	75.4	8%	0.077	37%	0.37	C	S	.	.	H	α-helix	trans	-78.1	-19.6	177.4	67.5	0	0	0	0	114.1	I48 R49 L50 D54 F55 R283	I48-S52 WeakPolarHBondContact O-CB 3.3Å; I48-S52 PolarHBondContact O-N 2.92Å; I48-S52 PolarHBondContact O-OG 3.04Å; R49-S52 PolarHBondContact O-N 3.15Å; R49-S52 PolarHBondContact O-OG 3.37Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.1Å; S52-D54 VanDerWaalsContact C-N 3.31Å; S52-F55 WeakPolarHBondContact O-CB 3.38Å; S52-F55 WeakPolarHBondContact O-CD2 3.46Å; S52-F55 WeakPolarHBondContact O-CG 3.48Å; S52-F55 PolarHBondContact O-N 3.24Å; S52-R283 PolarHBondContact OG-NH1 3.37Å
53	D	91.9	Very high	94.7	Very high	65 Å²	65	76.2 Å²	76.2	35%	0.348	37%	0.374	S	S	.	.	H	α-helix	trans	-70.7	-32.9	175.5	-75.4	-22.1	0	0	0	110.4	R49 L50 F55 R56	R49-D53 PolarHBondContact O-N 2.98Å; L50-D53 PolarHBondContact O-N 3.21Å; D53-F55 PolarHBondContact O-N 3Å; D53-R56 WeakPolarHBondContact O-CB 3.31Å; D53-R56 WeakPolarHBondContact O-CG 3.27Å; D53-R56 PolarHBondContact O-N 3.41Å; D53-R56 VanDerWaalsContact O-N 3.09Å
54	D	93.5	Very high	94.9	Very high	108 Å²	108	76.7 Å²	76.7	58%	0.578	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-59.6	-27.2	175.1	-66.5	-19.6	0	0	0	112.6	S52 R56 E57	S52-D54 VanDerWaalsContact C-N 3.31Å; D54-R56 PolarHBondContact O-N 3.44Å; D54-R56 VanDerWaalsContact O-N 3.13Å; D54-E57 PolarHBondContact O-N 3.36Å; D54-E57 VanDerWaalsContact O-N 3.12Å
55	F	94.9	Very high	95	Very high	7 Å²	7	76 Å²	76	3%	0.031	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.8	176.8	-59.5	-20.7	0	0	0	112.4	S52 D53 E57 M58 F61 Y280 R283 K284	S52-F55 WeakPolarHBondContact O-CB 3.38Å; S52-F55 WeakPolarHBondContact O-CD2 3.46Å; S52-F55 WeakPolarHBondContact O-CG 3.48Å; S52-F55 PolarHBondContact O-N 3.24Å; D53-F55 PolarHBondContact O-N 3Å; F55-E57 PolarHBondContact O-N 2.68Å; F55-M58 HydrophobicContact CD1-SD 3.9Å; F55-M58 PolarHBondContact O-N 2.79Å; F55-M58 VanDerWaalsContact O-N 3.14Å; F55-F61 HydrophobicContact CB-CB 4.31Å; F55-F61 HydrophobicContact CB-CD1 4.36Å; F55-F61 HydrophobicContact CB-CD2 4.14Å; F55-F61 HydrophobicContact CB-CG 4.02Å; F55-F61 HydrophobicContact CD1-CE2 4.21Å; F55-F61 HydrophobicContact CD1-CZ 4.31Å; F55-F61 HydrophobicContact CG-CD2 4.49Å; F55-F61 HydrophobicContact CG-CE1 4.48Å; F55-F61 HydrophobicContact CG-CE2 4.44Å; F55-F61 HydrophobicContact CG-CZ 4.43Å; F55-F61 WeakPolarHBondContact O-CB 3.38Å; F55-Y280 HydrophobicContact CE1-CE2 4.18Å; F55-Y280 HydrophobicContact CE2-CE2 4.3Å; F55-Y280 HydrophobicContact CZ-CD2 4.26Å; F55-Y280 HydrophobicContact CZ-CE1 4.42Å; F55-Y280 AromaticContact CZ-CE2 3.48Å; F55-Y280 HydrophobicContact CZ-CE2 3.48Å; F55-Y280 VanDerWaalsContact CZ-CE2 3.48Å; F55-Y280 AromaticContact CZ-CZ 3.58Å; F55-R283 HydrophobicContact CE2-CB 4.32Å; F55-K284 HydrophobicContact CE1-CG 4.45Å; F55-K284 HydrophobicContact CE2-CG 3.81Å; F55-K284 HydrophobicContact CZ-CG 3.62Å
56	R	87.9	Confident	95.1	Very high	173 Å²	173	75.5 Å²	75.5	65%	0.653	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.5	-26.7	-179.7	-63.5	176.9	177.4	-163.9	-3.5	113	D53 D54	D53-R56 WeakPolarHBondContact O-CB 3.31Å; D53-R56 WeakPolarHBondContact O-CG 3.27Å; D53-R56 PolarHBondContact O-N 3.41Å; D53-R56 VanDerWaalsContact O-N 3.09Å; D54-R56 PolarHBondContact O-N 3.44Å; D54-R56 VanDerWaalsContact O-N 3.13Å
57	E	89.8	Confident	95.1	Very high	173 Å²	173	72.7 Å²	72.7	81%	0.808	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-93.2	-6.6	179.9	-57.3	-58.3	141.7	0	0	112.2	D54 F55	D54-E57 PolarHBondContact O-N 3.36Å; D54-E57 VanDerWaalsContact O-N 3.12Å; F55-E57 PolarHBondContact O-N 2.68Å
58	M	94.5	Very high	95.1	Very high	83 Å²	83	69 Å²	69	41%	0.409	36%	0.361	S	S	.	.	S	Bend	trans	-89.2	133.3	-178.2	-68.8	-179.5	73.5	0	0	111.3	F55 D60 F61	F55-M58 HydrophobicContact CD1-SD 3.9Å; F55-M58 PolarHBondContact O-N 2.79Å; F55-M58 VanDerWaalsContact O-N 3.14Å; M58-D60 PolarHBondContact O-N 3.42Å; M58-D60 VanDerWaalsContact O-N 3.12Å; M58-F61 HydrophobicContact CB-CD2 3.68Å; M58-F61 HydrophobicContact CB-CE2 4.24Å; M58-F61 HydrophobicContact CE-CD2 4.43Å; M58-F61 HydrophobicContact CE-CE2 3.84Å; M58-F61 PolarHBondContact O-N 3.32Å; M58-F61 VanDerWaalsContact O-N 3.14Å; M58-F61 HydrophobicContact SD-CD2 4.16Å; M58-F61 HydrophobicContact SD-CE2 3.85Å
59	T	94.6	Very high	95	Very high	119 Å²	119	76.7 Å²	76.7	73%	0.73	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-64.4	-17.3	-179.5	53	0	0	0	0	114.3	F61 T62	T59-F61 VanDerWaalsContact C-N 3.32Å; T59-T62 WeakPolarHBondContact O-CG2 3.43Å
60	D	94.8	Very high	94.9	Very high	109 Å²	109	76.3 Å²	76.3	58%	0.583	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-80.6	-15	179.4	-63.5	-21.3	0	0	0	112.6	M58 F85	M58-D60 PolarHBondContact O-N 3.42Å; M58-D60 VanDerWaalsContact O-N 3.12Å; D60-F85 WeakPolarHBondContact O-CD1 3.46Å
61	F	97	Very high	95	Very high	26 Å²	26	71.7 Å²	71.7	11%	0.114	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-118.3	34.4	-173.2	-58	-91.1	0	0	0	112.1	F55 M58 T59 Y83 F85 K284	F55-F61 HydrophobicContact CB-CB 4.31Å; F55-F61 HydrophobicContact CB-CD1 4.36Å; F55-F61 HydrophobicContact CB-CD2 4.14Å; F55-F61 HydrophobicContact CB-CG 4.02Å; F55-F61 HydrophobicContact CD1-CE2 4.21Å; F55-F61 HydrophobicContact CD1-CZ 4.31Å; F55-F61 HydrophobicContact CG-CD2 4.49Å; F55-F61 HydrophobicContact CG-CE1 4.48Å; F55-F61 HydrophobicContact CG-CE2 4.44Å; F55-F61 HydrophobicContact CG-CZ 4.43Å; F55-F61 WeakPolarHBondContact O-CB 3.38Å; M58-F61 HydrophobicContact CB-CD2 3.68Å; M58-F61 HydrophobicContact CB-CE2 4.24Å; M58-F61 HydrophobicContact CE-CD2 4.43Å; M58-F61 HydrophobicContact CE-CE2 3.84Å; M58-F61 PolarHBondContact O-N 3.32Å; M58-F61 VanDerWaalsContact O-N 3.14Å; M58-F61 HydrophobicContact SD-CD2 4.16Å; M58-F61 HydrophobicContact SD-CE2 3.85Å; T59-F61 VanDerWaalsContact C-N 3.32Å; F61-Y83 HydrophobicContact CB-CD1 3.81Å; F61-Y83 HydrophobicContact CB-CE1 3.73Å; F61-Y83 HydrophobicContact CB-CG 4.43Å; F61-Y83 HydrophobicContact CD1-CD1 4.38Å; F61-Y83 HydrophobicContact CD1-CD2 4.08Å; F61-Y83 HydrophobicContact CD1-CE1 4.19Å; F61-Y83 AromaticContact CD1-CE2 3.9Å; F61-Y83 HydrophobicContact CD1-CE2 3.9Å; F61-Y83 HydrophobicContact CD1-CG 4.32Å; F61-Y83 AromaticContact CD1-CZ 3.94Å; F61-Y83 HydrophobicContact CG-CE1 4.42Å; F61-Y83 VanDerWaalsContact O-CD1 3.27Å; F61-Y83 WeakPolarHBondContact O-CD1 3.32Å; F61-F85 AromaticContact CD1-CE1 3.91Å; F61-F85 HydrophobicContact CD1-CE1 3.91Å; F61-F85 HydrophobicContact CE1-CE1 4.29Å; F61-K284 HydrophobicContact CE1-CB 4.03Å; F61-K284 HydrophobicContact CE1-CG 4.4Å; F61-K284 VanDerWaalsContact CE1-O 3.23Å; F61-K284 WeakPolarHBondContact CE1-O 3.49Å; F61-K284 HydrophobicContact CZ-CB 4.46Å; F61-K284 HydrophobicContact CZ-CG 4.42Å
62	T	97.4	Very high	95	Very high	51 Å²	51	72.7 Å²	72.7	31%	0.313	39%	0.385	S	S	.	.			trans	-60	153.3	176.8	62.6	0	0	0	0	111.8	T59 Y83 D84	T59-T62 WeakPolarHBondContact O-CG2 3.43Å; T62-Y83 CarbonylContact O-C 3.58Å; T62-Y83 WeakPolarHBondContact O-CA 3.41Å; T62-D84 VanDerWaalsContact C-OD2 3.23Å; T62-D84 WeakPolarHBondContact CB-OD2 3.24Å; T62-D84 PolarHBondContact O-N 2.89Å; T62-D84 PolarHBondContact OG1-OD2 3.45Å
63	C	97.1	Very high	95.2	Very high	32 Å²	32	77.9 Å²	77.9	22%	0.216	41%	0.411	C	S	.	.			trans	-128.4	28.7	178.3	-67.2	0	0	0	0	111.2	A65 G66 G67 L81 D84	C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 2.92Å; C63-G66 CarbonylContact O-C 3.53Å; C63-G66 WeakPolarHBondContact O-CA 3.39Å; C63-G66 PolarHBondContact O-N 2.86Å; C63-G67 PolarHBondContact O-N 2.95Å; C63-L81 HydrophobicContact CB-CB 3.76Å; C63-L81 HydrophobicContact CB-CD1 4.02Å; C63-D84 PolarHBondContact N-OD2 2.92Å
64	D	96.7	Very high	95.4	Very high	115 Å²	115	76.7 Å²	76.7	62%	0.615	40%	0.403	S	S	*	.	H	α-helix	trans	-60.3	-40.6	-169.1	-65.2	-22.4	0	0	0	111.5	G66 G67 A68 D84	D64-G66 VanDerWaalsContact C-N 3.3Å; D64-G66 PolarHBondContact O-N 3.37Å; D64-G67 CarbonylContact O-C 3.52Å; D64-G67 PolarHBondContact O-N 2.91Å; D64-A68 PolarHBondContact O-N 3.2Å; D64-D84 WeakPolarHBondContact CB-OD2 3.37Å; D64-D84 PolarHBondContact N-OD2 3.41Å
65	A	97	Very high	95.7	Very high	19 Å²	19	72.2 Å²	72.2	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-36.9	177	0	0	0	0	0	111.7	C63 N71 D84 R87 Y100	C63-A65 VanDerWaalsContact C-N 3.32Å; C63-A65 PolarHBondContact O-N 2.92Å; A65-N71 WeakPolarHBondContact O-CB 3.33Å; A65-N71 PolarHBondContact O-ND2 2.87Å; A65-D84 WeakPolarHBondContact CB-OD1 3.22Å; A65-D84 PolarHBondContact N-OD1 3.43Å; A65-R87 VanDerWaalsContact CB-NE 3.3Å; A65-Y100 HydrophobicContact CB-CD2 4.16Å; A65-Y100 HydrophobicContact CB-CE2 4.48Å
66	G	97.6	Very high	95.8	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-72.2	-33	175.4	0	0	0	0	0	113.6	C63 D64 N75 Y100	C63-G66 CarbonylContact O-C 3.53Å; C63-G66 WeakPolarHBondContact O-CA 3.39Å; C63-G66 PolarHBondContact O-N 2.86Å; D64-G66 VanDerWaalsContact C-N 3.3Å; D64-G66 PolarHBondContact O-N 3.37Å; G66-N75 PolarHBondContact O-ND2 2.92Å; G66-Y100 WeakPolarHBondContact CA-OH 3.39Å
67	G	96.7	Very high	96.3	Very high	38 Å²	38	68.9 Å²	68.9	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-82.8	-12	178.1	0	0	0	0	0	114.7	C63 D64	C63-G67 PolarHBondContact O-N 2.95Å; D64-G67 CarbonylContact O-C 3.52Å; D64-G67 PolarHBondContact O-N 2.91Å
68	A	96.8	Very high	96.6	Very high	33 Å²	33	69.3 Å²	69.3	27%	0.273	36%	0.36	S	S	.	.	S	Bend	trans	-58.9	138.3	177.7	0	0	0	0	0	111.7	D64 E70 N71 L72	D64-A68 PolarHBondContact O-N 3.2Å; A68-E70 VanDerWaalsContact C-N 3.27Å; A68-E70 HydrophobicContact CB-CG 4.35Å; A68-E70 PolarHBondContact O-N 3.23Å; A68-E70 VanDerWaalsContact O-N 3.13Å; A68-N71 WeakPolarHBondContact O-CA 3.46Å; A68-N71 PolarHBondContact O-N 2.93Å; A68-L72 PolarHBondContact O-N 3.27Å; A68-L72 VanDerWaalsContact O-N 3.13Å
69	M	95	Very high	96.5	Very high	160 Å²	160	70.6 Å²	70.6	79%	0.788	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-44.2	-173.5	-173.3	63.9	73.7	0	0	113.2	N71 L72	M69-N71 PolarHBondContact O-N 3.31Å; M69-L72 PolarHBondContact O-N 3.46Å; M69-L72 HydrophobicContact SD-CD1 3.91Å
70	E	94.5	Very high	96.7	Very high	120 Å²	120	65.2 Å²	65.2	56%	0.561	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.5	178.2	63.3	-169.2	-135.6	0	0	114.9	A68	A68-E70 VanDerWaalsContact C-N 3.27Å; A68-E70 HydrophobicContact CB-CG 4.35Å; A68-E70 PolarHBondContact O-N 3.23Å; A68-E70 VanDerWaalsContact O-N 3.13Å
71	N	96.8	Very high	96.8	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.032	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-13.7	-177.6	-64.5	-34.4	0	0	0	113.1	A65 A68 M69 I73 K74 N75 S98 Y100	A65-N71 WeakPolarHBondContact O-CB 3.33Å; A65-N71 PolarHBondContact O-ND2 2.87Å; A68-N71 WeakPolarHBondContact O-CA 3.46Å; A68-N71 PolarHBondContact O-N 2.93Å; M69-N71 PolarHBondContact O-N 3.31Å; N71-I73 PolarHBondContact O-N 3.39Å; N71-K74 HydrophobicContact CB-CD 4.46Å; N71-K74 WeakPolarHBondContact O-CA 3.27Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.41Å; N71-K74 PolarHBondContact O-N 2.89Å; N71-K74 PolarHBondContact OD1-NZ 3.47Å; N71-N75 PolarHBondContact O-ND2 3.45Å; N71-S98 PolarHBondContact OD1-OG 3.34Å; N71-Y100 HydrophobicContact CB-CD1 3.76Å; N71-Y100 HydrophobicContact CB-CD2 4.42Å; N71-Y100 HydrophobicContact CB-CE1 4.13Å; N71-Y100 HydrophobicContact CB-CG 3.91Å; N71-Y100 VanDerWaalsContact CG-CB 3.49Å; N71-Y100 WeakPolarHBondContact OD1-CB 3.4Å
72	L	96.9	Very high	96.9	Very high	79 Å²	79	60.2 Å²	60.2	41%	0.414	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-52.6	-43	179.2	-69	-179.9	0	0	0	112.5	A68 M69 K74 N75	A68-L72 PolarHBondContact O-N 3.27Å; A68-L72 VanDerWaalsContact O-N 3.13Å; M69-L72 PolarHBondContact O-N 3.46Å; M69-L72 HydrophobicContact SD-CD1 3.91Å; L72-K74 PolarHBondContact O-N 3.46Å; L72-N75 PolarHBondContact O-N 2.87Å
73	I	96.7	Very high	96.9	Very high	119 Å²	119	58.2 Å²	58.2	61%	0.61	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-66	-18.9	178.9	65.3	169.5	0	0	0	113	N71 N75 L122 H124	N71-I73 PolarHBondContact O-N 3.39Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-L122 WeakPolarHBondContact O-CD1 3.44Å; I73-H124 PolarHBondContact O-CE1 2.78Å; I73-H124 PolarHBondContact O-NE2 2.73Å
74	K	97.7	Very high	97	Very high	41 Å²	41	58 Å²	58	18%	0.178	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-86.2	-5.3	-177.6	-55.4	174.3	-173.7	167	0	112.2	N71 L72 S98 Y100 Q119 T125	N71-K74 HydrophobicContact CB-CD 4.46Å; N71-K74 WeakPolarHBondContact O-CA 3.27Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.41Å; N71-K74 PolarHBondContact O-N 2.89Å; N71-K74 PolarHBondContact OD1-NZ 3.47Å; L72-K74 PolarHBondContact O-N 3.46Å; K74-S98 VanDerWaalsContact NZ-CB 3.32Å; K74-S98 PolarHBondContact NZ-OG 3.24Å; K74-S98 VanDerWaalsContact NZ-OG 3.09Å; K74-Y100 HydrophobicContact CB-CD1 3.98Å; K74-Y100 HydrophobicContact CB-CE1 4.03Å; K74-Y100 HydrophobicContact CD-CD1 3.81Å; K74-Q119 PolarHBondContact O-NE2 2.91Å; K74-T125 HydrophobicContact CB-CG2 4Å; K74-T125 HydrophobicContact CG-CG2 4.31Å
75	N	98.4	Very high	97	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.07	28%	0.283	C	S	.	.			trans	-96.4	122.2	178.8	-60.7	-46.1	0	0	0	110.4	G66 N71 L72 I73 Y77 L81 Y100 N102	G66-N75 PolarHBondContact O-ND2 2.92Å; N71-N75 PolarHBondContact O-ND2 3.45Å; L72-N75 PolarHBondContact O-N 2.87Å; I73-N75 VanDerWaalsContact C-N 3.31Å; N75-Y77 VanDerWaalsContact C-N 3.26Å; N75-Y77 PolarHBondContact O-N 3.4Å; N75-L81 HydrophobicContact CB-CD2 4.19Å; N75-L81 VanDerWaalsContact CG-CD2 3.47Å; N75-L81 VanDerWaalsContact ND2-CD2 3.29Å; N75-L81 WeakPolarHBondContact ND2-CD2 3.47Å; N75-Y100 PolarHBondContact OD1-OH 3.3Å; N75-N102 PolarHBondContact OD1-ND2 2.93Å
76	R	98.3	Very high	97.1	Very high	41 Å²	41	56.1 Å²	56.1	16%	0.155	28%	0.277	C	S	.	.	S	Bend	trans	-65.5	-35	175.2	179.8	174.6	-71.5	-77.8	-0	111.6	G120 P121 L122 T153 K154 S245	R76-G120 PolarHBondContact NE-O 3.12Å; R76-G120 PolarHBondContact NH2-O 2.99Å; R76-P121 PolarHBondContact NH2-O 2.99Å; R76-L122 HydrophobicContact CB-CD2 4.06Å; R76-L122 HydrophobicContact CB-CG 4.34Å; R76-L122 HydrophobicContact CG-CD2 4.2Å; R76-T153 PolarHBondContact NH1-O 3.43Å; R76-K154 PolarHBondContact NE-O 3.18Å; R76-K154 VanDerWaalsContact NE-O 3.12Å; R76-S245 WeakPolarHBondContact CD-OG 3.42Å
77	Y	97.5	Very high	97.1	Very high	70 Å²	70	57.3 Å²	57.3	28%	0.275	28%	0.282	S	S	.	.	S	Bend	trans	-129.1	126.9	178.4	-59.1	-79.4	0	0	0	108.9	N75 D79 V80 S245 A246	N75-Y77 VanDerWaalsContact C-N 3.26Å; N75-Y77 PolarHBondContact O-N 3.4Å; Y77-D79 WeakPolarHBondContact CB-OD1 3.43Å; Y77-D79 PolarHBondContact O-N 3.47Å; Y77-V80 PolarHBondContact O-N 3.07Å; Y77-S245 WeakPolarHBondContact CE2-OG 3.23Å; Y77-S245 PolarHBondContact OH-OG 2.86Å; Y77-A246 HydrophobicContact CD2-CB 3.58Å; Y77-A246 HydrophobicContact CE2-CB 3.65Å
78	R	95.4	Very high	97.2	Very high	181 Å²	181	55.5 Å²	55.5	68%	0.683	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.6	-174.6	-67.1	-175.9	178	167	4.8	112.8	S401	R78-S401 PolarHBondContact NH2-OG 2.77Å
79	D	94.2	Very high	97.3	Very high	111 Å²	111	59.3 Å²	59.3	59%	0.594	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-0.6	-179.4	63.8	-43.1	0	0	0	113.7	Y77	Y77-D79 WeakPolarHBondContact CB-OD1 3.43Å; Y77-D79 PolarHBondContact O-N 3.47Å
80	V	96.8	Very high	97.4	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.036	24%	0.241	C	C	.	.			trans	-118.4	90.1	178.9	-176.7	0	0	0	0	109.5	Y77 N102 A246 C248	Y77-V80 PolarHBondContact O-N 3.07Å; V80-N102 PolarHBondContact O-ND2 2.97Å; V80-A246 HydrophobicContact CG1-CB 4.48Å; V80-A246 HydrophobicContact CG2-CB 4.34Å; V80-C248 WeakPolarHBondContact CG1-SG 3.38Å
81	L	98.2	Very high	97.3	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.157	24%	0.243	C	C	.	.			trans	-112.1	145	178.5	-55	-178.3	0	0	0	110.1	C63 N75 P287	C63-L81 HydrophobicContact CB-CB 3.76Å; C63-L81 HydrophobicContact CB-CD1 4.02Å; N75-L81 HydrophobicContact CB-CD2 4.19Å; N75-L81 VanDerWaalsContact CG-CD2 3.47Å; N75-L81 VanDerWaalsContact ND2-CD2 3.29Å; N75-L81 WeakPolarHBondContact ND2-CD2 3.47Å; L81-P287 WeakPolarHBondContact O-CD 3.35Å; L81-P287 VanDerWaalsContact O-CG 3.22Å; L81-P287 WeakPolarHBondContact O-CG 3.29Å
82	P	98.4	Very high	96.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.269	C	S	.	.			trans	-75	144.2	173.5	34.1	-35	0	0	0	110.2	R87 Y100	P82-R87 HydrophobicContact CB-CB 3.98Å; P82-R87 HydrophobicContact CG-CB 4.13Å; P82-Y100 WeakPolarHBondContact CD-OH 3.29Å; P82-Y100 HydrophobicContact CG-CE2 3.9Å
83	Y	98.5	Very high	95.3	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.035	27%	0.27	C	S	.	.			trans	-64.9	140.8	170.4	-56	-51.3	0	0	0	111.4	F61 T62 F85 N86 R87 R283 K284 P287	F61-Y83 HydrophobicContact CB-CD1 3.81Å; F61-Y83 HydrophobicContact CB-CE1 3.73Å; F61-Y83 HydrophobicContact CB-CG 4.43Å; F61-Y83 HydrophobicContact CD1-CD1 4.38Å; F61-Y83 HydrophobicContact CD1-CD2 4.08Å; F61-Y83 HydrophobicContact CD1-CE1 4.19Å; F61-Y83 AromaticContact CD1-CE2 3.9Å; F61-Y83 HydrophobicContact CD1-CE2 3.9Å; F61-Y83 HydrophobicContact CD1-CG 4.32Å; F61-Y83 AromaticContact CD1-CZ 3.94Å; F61-Y83 HydrophobicContact CG-CE1 4.42Å; F61-Y83 VanDerWaalsContact O-CD1 3.27Å; F61-Y83 WeakPolarHBondContact O-CD1 3.32Å; T62-Y83 CarbonylContact O-C 3.58Å; T62-Y83 WeakPolarHBondContact O-CA 3.41Å; Y83-F85 VanDerWaalsContact C-N 3.33Å; Y83-F85 VanDerWaalsContact CB-CE1 3.44Å; Y83-F85 AromaticContact CD2-CE1 3.82Å; Y83-F85 HydrophobicContact CD2-CE1 3.82Å; Y83-F85 HydrophobicContact CD2-CZ 4.25Å; Y83-F85 HydrophobicContact CG-CD1 4.47Å; Y83-F85 AromaticContact CG-CE1 3.85Å; Y83-F85 HydrophobicContact CG-CE1 3.85Å; Y83-F85 PolarHBondContact O-N 2.95Å; Y83-N86 PolarHBondContact O-OD1 3.37Å; Y83-R87 WeakPolarHBondContact O-CB 3.3Å; Y83-R87 PolarHBondContact O-N 3.5Å; Y83-R283 WeakPolarHBondContact CE2-O 3.34Å; Y83-R283 PolarHBondContact OH-O 3Å; Y83-K284 WeakPolarHBondContact CE2-O 3.38Å; Y83-P287 HydrophobicContact CD1-CG 4.18Å; Y83-P287 HydrophobicContact CE1-CG 3.58Å; Y83-P287 HydrophobicContact CE2-CG 4.03Å; Y83-P287 VanDerWaalsContact CZ-CG 3.49Å
84	D	98.2	Very high	93.9	Very high	27 Å²	27	57.1 Å²	57.1	14%	0.144	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-34	-173.8	-71.7	-45.4	0	0	0	113.4	T62 C63 D64 A65 N86 R87	T62-D84 VanDerWaalsContact C-OD2 3.23Å; T62-D84 WeakPolarHBondContact CB-OD2 3.24Å; T62-D84 PolarHBondContact O-N 2.89Å; T62-D84 PolarHBondContact OG1-OD2 3.45Å; C63-D84 PolarHBondContact N-OD2 2.92Å; D64-D84 WeakPolarHBondContact CB-OD2 3.37Å; D64-D84 PolarHBondContact N-OD2 3.41Å; A65-D84 WeakPolarHBondContact CB-OD1 3.22Å; A65-D84 PolarHBondContact N-OD1 3.43Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 3.12Å; D84-R87 IonicContact OD1-NE 3.66Å
85	F	97.8	Very high	92.1	Very high	87 Å²	87	61.4 Å²	61.4	38%	0.382	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.8	-174.3	74.3	-94.3	0	0	0	113.1	D60 F61 Y83 K284	D60-F85 WeakPolarHBondContact O-CD1 3.46Å; F61-F85 AromaticContact CD1-CE1 3.91Å; F61-F85 HydrophobicContact CD1-CE1 3.91Å; F61-F85 HydrophobicContact CE1-CE1 4.29Å; Y83-F85 VanDerWaalsContact C-N 3.33Å; Y83-F85 VanDerWaalsContact CB-CE1 3.44Å; Y83-F85 AromaticContact CD2-CE1 3.82Å; Y83-F85 HydrophobicContact CD2-CE1 3.82Å; Y83-F85 HydrophobicContact CD2-CZ 4.25Å; Y83-F85 HydrophobicContact CG-CD1 4.47Å; Y83-F85 AromaticContact CG-CE1 3.85Å; Y83-F85 HydrophobicContact CG-CE1 3.85Å; Y83-F85 PolarHBondContact O-N 2.95Å; F85-K284 VanDerWaalsContact CZ-O 3.31Å; F85-K284 WeakPolarHBondContact CZ-O 3.29Å
86	N	98.4	Very high	90.7	Very high	7 Å²	7	63.8 Å²	63.8	4%	0.037	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	10.7	-179.7	74.8	-19.4	0	0	0	114.7	Y83 D84 Y105 Q285	Y83-N86 PolarHBondContact O-OD1 3.37Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 3.12Å; N86-Y105 PolarHBondContact ND2-O 2.54Å; N86-Y105 PolarHBondContact O-N 2.94Å; N86-Q285 PolarHBondContact ND2-O 3.13Å; N86-Q285 PolarHBondContact OD1-O 2.91Å
87	R	98.6	Very high	89.7	Confident	26 Å²	26	66.2 Å²	66.2	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	148.7	171	71.8	-179.9	-177.1	85	-2.1	111	A65 P82 Y83 D84 K89 D99 A103	A65-R87 VanDerWaalsContact CB-NE 3.3Å; P82-R87 HydrophobicContact CB-CB 3.98Å; P82-R87 HydrophobicContact CG-CB 4.13Å; Y83-R87 WeakPolarHBondContact O-CB 3.3Å; Y83-R87 PolarHBondContact O-N 3.5Å; D84-R87 IonicContact OD1-NE 3.66Å; R87-K89 HydrophobicContact CG-CG 4.32Å; R87-K89 PolarHBondContact O-N 3.32Å; R87-D99 IonicContact CZ-OD1 3.76Å; R87-D99 VanDerWaalsContact CZ-OD1 3.29Å; R87-D99 IonicContact CZ-OD2 3.43Å; R87-D99 IonicContact NH1-OD1 2.83Å; R87-D99 PolarHBondContact NH1-OD1 3.14Å; R87-D99 IonicContact NH1-OD2 3.74Å; R87-D99 IonicContact NH2-OD1 3.31Å; R87-D99 PolarHBondContact NH2-OD1 3.36Å; R87-D99 IonicContact NH2-OD2 3.25Å; R87-D99 PolarHBondContact NH2-OD2 3.4Å; R87-D99 VanDerWaalsContact NH2-OD2 3.09Å; R87-A103 CarbonylContact C-O 3.54Å; R87-A103 VanDerWaalsContact CA-O 3.23Å; R87-A103 WeakPolarHBondContact CA-O 3.37Å
88	V	98.6	Very high	89.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.1	170.3	-174.6	0	0	0	0	109.1	I101 A103 Y105 I116 M132	V88-I101 HydrophobicContact CB-CG2 3.98Å; V88-I101 HydrophobicContact CG1-CG2 4.27Å; V88-A103 HydrophobicContact CB-CB 4.05Å; V88-A103 HydrophobicContact CG2-CB 3.73Å; V88-A103 PolarHBondContact N-O 2.84Å; V88-Y105 HydrophobicContact CB-CE2 4.2Å; V88-Y105 HydrophobicContact CG1-CE2 4.24Å; V88-Y105 HydrophobicContact CG2-CD1 4.13Å; V88-Y105 HydrophobicContact CG2-CD2 4.05Å; V88-Y105 HydrophobicContact CG2-CE1 3.96Å; V88-Y105 HydrophobicContact CG2-CE2 3.86Å; V88-Y105 HydrophobicContact CG2-CG 4.2Å; V88-I116 HydrophobicContact CG2-CG1 4.41Å; V88-I116 HydrophobicContact CG2-CG2 3.9Å; V88-M132 HydrophobicContact CB-SD 4.29Å; V88-M132 HydrophobicContact CG1-CG 3.88Å; V88-M132 HydrophobicContact CG1-SD 4.14Å; V88-M132 HydrophobicContact CG2-SD 4.21Å
89	K	98	Very high	89.3	Confident	113 Å²	113	56.8 Å²	56.8	49%	0.491	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.4	176.5	-52.7	-169.3	178.3	175.6	0	109.7	R87 Q135	R87-K89 HydrophobicContact CG-CG 4.32Å; R87-K89 PolarHBondContact O-N 3.32Å; K89-Q135 PolarHBondContact O-NE2 2.98Å
90	L	96.8	Very high	89.5	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.099	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-81.7	138.3	179.2	-61.8	-177.2	0	0	0	111.2	L92 D99 I101 A128 M132	L90-L92 PolarHBondContact O-N 3.07Å; L90-D99 PolarHBondContact N-O 3.4Å; L90-D99 VanDerWaalsContact O-CB 3.3Å; L90-D99 WeakPolarHBondContact O-CB 3.33Å; L90-I101 HydrophobicContact CD1-CB 4.02Å; L90-I101 HydrophobicContact CD1-CG2 4.2Å; L90-I101 HydrophobicContact CD2-CG2 4.06Å; L90-I101 HydrophobicContact CG-CB 4.29Å; L90-I101 HydrophobicContact CG-CG2 3.91Å; L90-A128 HydrophobicContact CD1-CB 3.75Å; L90-M132 HydrophobicContact CD2-CB 3.84Å; L90-M132 HydrophobicContact CD2-CG 4.44Å
91	R	92.3	Very high	89.6	Confident	164 Å²	164	52 Å²	52	62%	0.619	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-65.3	121.8	167.5	-71.8	174.3	-175.8	-175.5	-0.1	108.3	S93	R91-S93 PolarHBondContact O-N 3.05Å
92	L	82.6	Confident	89.6	Confident	108 Å²	108	50.6 Å²	50.6	57%	0.565	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61.4	122.7	174.9	-56.5	-179.4	0	0	0	108.8	L90 S98 D99	L90-L92 PolarHBondContact O-N 3.07Å; L92-S98 WeakPolarHBondContact CD2-O 3.17Å; L92-D99 HydrophobicContact CD2-CB 4.06Å
93	S	70.8	Confident	89.6	Confident	62 Å²	62	50.6 Å²	50.6	43%	0.434	30%	0.299	S	S	.	.			trans	-137.3	136.1	170.5	64.9	0	0	0	0	109	R91	R91-S93 PolarHBondContact O-N 3.05Å
94	G	65.6	Low	89.6	Confident	85 Å²	85	50.2 Å²	50.2	88%	0.876	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-135.1	-175.5	0	0	0	0	0	113.4
95	S	61.1	Low	89.7	Confident	130 Å²	130	51.5 Å²	51.5	91%	0.909	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.8	-169.9	56.8	0	0	0	0	115.4	A97	S95-A97 PolarHBondContact O-N 3.31Å
96	S	69.5	Low	89.7	Confident	63 Å²	63	47.4 Å²	47.4	44%	0.441	28%	0.283	S	S	.	.			trans	-71.1	117.7	177.9	-172.5	0	0	0	0	110.2	S98	S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.28Å; S96-S98 PolarHBondContact OG-O 2.94Å; S96-S98 VanDerWaalsContact OG-O 3.05Å
97	A	76.9	Confident	89.7	Confident	93 Å²	93	49.3 Å²	49.3	77%	0.769	29%	0.293	S	S	*	.			trans	-76.1	-12.9	178.8	0	0	0	0	0	113.7	S95	S95-A97 PolarHBondContact O-N 3.31Å
98	S	88.2	Confident	89.5	Confident	8 Å²	8	48.3 Å²	48.3	6%	0.056	29%	0.291	C	S	.	.			trans	-131.8	141.8	-171.1	153.8	0	0	0	0	112	N71 K74 L92 S96 Y100	N71-S98 PolarHBondContact OD1-OG 3.34Å; K74-S98 VanDerWaalsContact NZ-CB 3.32Å; K74-S98 PolarHBondContact NZ-OG 3.24Å; K74-S98 VanDerWaalsContact NZ-OG 3.09Å; L92-S98 WeakPolarHBondContact CD2-O 3.17Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.28Å; S96-S98 PolarHBondContact OG-O 2.94Å; S96-S98 VanDerWaalsContact OG-O 3.05Å; S98-Y100 PolarHBondContact O-N 3.23Å; S98-Y100 WeakPolarHBondContact OG-CB 3.44Å; S98-Y100 PolarHBondContact OG-N 2.93Å
99	D	96.4	Very high	89.3	Confident	45 Å²	45	48.8 Å²	48.8	24%	0.241	29%	0.294	C	S	.	.			trans	-83.2	7.3	179.1	77.8	-8	0	0	0	112.6	R87 L90 L92	R87-D99 IonicContact CZ-OD1 3.76Å; R87-D99 VanDerWaalsContact CZ-OD1 3.29Å; R87-D99 IonicContact CZ-OD2 3.43Å; R87-D99 IonicContact NH1-OD1 2.83Å; R87-D99 PolarHBondContact NH1-OD1 3.14Å; R87-D99 IonicContact NH1-OD2 3.74Å; R87-D99 IonicContact NH2-OD1 3.31Å; R87-D99 PolarHBondContact NH2-OD1 3.36Å; R87-D99 IonicContact NH2-OD2 3.25Å; R87-D99 PolarHBondContact NH2-OD2 3.4Å; R87-D99 VanDerWaalsContact NH2-OD2 3.09Å; L90-D99 PolarHBondContact N-O 3.4Å; L90-D99 VanDerWaalsContact O-CB 3.3Å; L90-D99 WeakPolarHBondContact O-CB 3.33Å; L92-D99 HydrophobicContact CD2-CB 4.06Å
100	Y	97.8	Very high	89	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.4	-165.7	-175.5	-97.1	0	0	0	113.9	A65 G66 N71 K74 N75 P82 S98 N102	A65-Y100 HydrophobicContact CB-CD2 4.16Å; A65-Y100 HydrophobicContact CB-CE2 4.48Å; G66-Y100 WeakPolarHBondContact CA-OH 3.39Å; N71-Y100 HydrophobicContact CB-CD1 3.76Å; N71-Y100 HydrophobicContact CB-CD2 4.42Å; N71-Y100 HydrophobicContact CB-CE1 4.13Å; N71-Y100 HydrophobicContact CB-CG 3.91Å; N71-Y100 VanDerWaalsContact CG-CB 3.49Å; N71-Y100 WeakPolarHBondContact OD1-CB 3.4Å; K74-Y100 HydrophobicContact CB-CD1 3.98Å; K74-Y100 HydrophobicContact CB-CE1 4.03Å; K74-Y100 HydrophobicContact CD-CD1 3.81Å; N75-Y100 PolarHBondContact OD1-OH 3.3Å; P82-Y100 WeakPolarHBondContact CD-OH 3.29Å; P82-Y100 HydrophobicContact CG-CE2 3.9Å; S98-Y100 PolarHBondContact O-N 3.23Å; S98-Y100 WeakPolarHBondContact OG-CB 3.44Å; S98-Y100 PolarHBondContact OG-N 2.93Å; Y100-N102 HydrophobicContact CE1-CB 4.27Å
101	I	98.5	Very high	88.7	Confident	10 Å²	10	48 Å²	48	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.9	158.7	-175.9	166.1	0	0	0	108.4	V88 L90 A103 A128 M132	V88-I101 HydrophobicContact CB-CG2 3.98Å; V88-I101 HydrophobicContact CG1-CG2 4.27Å; L90-I101 HydrophobicContact CD1-CB 4.02Å; L90-I101 HydrophobicContact CD1-CG2 4.2Å; L90-I101 HydrophobicContact CD2-CG2 4.06Å; L90-I101 HydrophobicContact CG-CB 4.29Å; L90-I101 HydrophobicContact CG-CG2 3.91Å; I101-A103 VanDerWaalsContact C-N 3.26Å; I101-A103 HydrophobicContact CG1-CB 4.46Å; I101-A103 HydrophobicContact CG2-CB 4.15Å; I101-A103 PolarHBondContact O-N 3.37Å; I101-A128 HydrophobicContact CD1-CB 4.29Å; I101-M132 HydrophobicContact CD1-CB 4.07Å; I101-M132 HydrophobicContact CD1-CE 4.35Å; I101-M132 HydrophobicContact CD1-SD 3.91Å; I101-M132 HydrophobicContact CG2-SD 4.29Å
102	N	98.7	Very high	88.8	Confident	2 Å²	2	46 Å²	46	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	80.4	175.7	-167.6	-42	0	0	0	110.5	N75 V80 Y100 T118 Q119 R286	N75-N102 PolarHBondContact OD1-ND2 2.93Å; V80-N102 PolarHBondContact O-ND2 2.97Å; Y100-N102 HydrophobicContact CE1-CB 4.27Å; N102-T118 PolarHBondContact O-OG1 3.28Å; N102-Q119 HydrophobicContact CB-CG 4.14Å; N102-Q119 PolarHBondContact O-N 3.06Å; N102-R286 PolarHBondContact OD1-NH1 2.93Å; N102-R286 PolarHBondContact OD1-NH2 3.33Å
103	A	98.9	Very high	89.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147.7	-179.2	0	0	0	0	0	110.7	R87 V88 I101 I116 A117 T118 M132	R87-A103 CarbonylContact C-O 3.54Å; R87-A103 VanDerWaalsContact CA-O 3.23Å; R87-A103 WeakPolarHBondContact CA-O 3.37Å; V88-A103 HydrophobicContact CB-CB 4.05Å; V88-A103 HydrophobicContact CG2-CB 3.73Å; V88-A103 PolarHBondContact N-O 2.84Å; I101-A103 VanDerWaalsContact C-N 3.26Å; I101-A103 HydrophobicContact CG1-CB 4.46Å; I101-A103 HydrophobicContact CG2-CB 4.15Å; I101-A103 PolarHBondContact O-N 3.37Å; A103-I116 HydrophobicContact CB-CG2 3.96Å; A103-A117 CarbonylContact C-O 3.54Å; A103-A117 VanDerWaalsContact CA-O 3.27Å; A103-A117 WeakPolarHBondContact CA-O 3.21Å; A103-T118 WeakPolarHBondContact CB-OG1 3.49Å; A103-M132 HydrophobicContact CB-SD 3.68Å
104	S	98.9	Very high	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.8	178.1	-53.2	0	0	0	0	110.3	I116 A117 R286	S104-I116 WeakPolarHBondContact O-CA 3.4Å; S104-A117 PolarHBondContact N-O 3.34Å; S104-A117 PolarHBondContact O-N 3.25Å; S104-R286 PolarHBondContact OG-NH1 2.77Å
105	Y	98.8	Very high	92.3	Very high	55 Å²	55	36.6 Å²	36.6	22%	0.216	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.8	165.6	-67.8	-65.4	0	0	0	109.9	N86 V88 V113 I116 C136	N86-Y105 PolarHBondContact ND2-O 2.54Å; N86-Y105 PolarHBondContact O-N 2.94Å; V88-Y105 HydrophobicContact CB-CE2 4.2Å; V88-Y105 HydrophobicContact CG1-CE2 4.24Å; V88-Y105 HydrophobicContact CG2-CD1 4.13Å; V88-Y105 HydrophobicContact CG2-CD2 4.05Å; V88-Y105 HydrophobicContact CG2-CE1 3.96Å; V88-Y105 HydrophobicContact CG2-CE2 3.86Å; V88-Y105 HydrophobicContact CG2-CG 4.2Å; Y105-V113 HydrophobicContact CD1-CG1 3.5Å; Y105-V113 HydrophobicContact CD1-CG2 4.48Å; Y105-V113 HydrophobicContact CE1-CG1 4.35Å; Y105-V113 HydrophobicContact CG-CG1 4.11Å; Y105-V113 HydrophobicContact CG-CG2 4.46Å; Y105-I116 HydrophobicContact CD1-CD1 4.26Å; Y105-I116 HydrophobicContact CD1-CG1 3.66Å; Y105-I116 HydrophobicContact CE1-CD1 3.83Å; Y105-I116 HydrophobicContact CE1-CG1 3.76Å; Y105-C136 PolarHBondContact OH-SG 2.59Å; Y105-C136 VanDerWaalsContact OH-SG 3.33Å
106	I	98.6	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.9	178.7	-47.7	-63.7	0	0	0	109.1	G114 Y115 A117 L282 Q285 R286	I106-G114 PolarHBondContact O-N 3.2Å; I106-Y115 HydrophobicContact CB-CD2 3.99Å; I106-Y115 HydrophobicContact CG2-CD2 3.97Å; I106-Y115 PolarHBondContact N-O 2.96Å; I106-Y115 PolarHBondContact O-N 3.21Å; I106-A117 HydrophobicContact CD1-CB 4.37Å; I106-A117 HydrophobicContact CG1-CB 3.86Å; I106-L282 HydrophobicContact CG2-CD2 3.55Å; I106-Q285 HydrophobicContact CD1-CB 3.57Å; I106-R286 HydrophobicContact CD1-CB 3.88Å
107	N	97.6	Very high	95.5	Very high	48 Å²	48	27.4 Å²	27.4	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.8	179.3	-66.8	-17.8	0	0	0	111.7	R112	N107-R112 CarbonylContact C-O 3.51Å; N107-R112 VanDerWaalsContact CA-O 3.29Å; N107-R112 WeakPolarHBondContact CA-O 3.5Å
108	G	95.9	Very high	96.6	Very high	5 Å²	5	23 Å²	23	5%	0.052	13%	0.13	C	C	.	.			trans	-85.6	-178.4	168.3	0	0	0	0	0	112.1	D110 G111 R112 Y259	G108-D110 PolarHBondContact O-N 3.15Å; G108-D110 VanDerWaalsContact O-N 3.07Å; G108-G111 PolarHBondContact O-N 3.35Å; G108-G111 VanDerWaalsContact O-N 3.08Å; G108-R112 PolarHBondContact N-O 3.29Å; G108-Y259 WeakPolarHBondContact O-CE2 3.44Å
109	C	93.2	Very high	97.1	Very high	10 Å²	10	23 Å²	23	7%	0.068	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.4	-175	85	0	0	0	0	114.7	Y259 C262 L263 T266	C109-Y259 HydrophobicContact CB-CD1 4.44Å; C109-Y259 HydrophobicContact CB-CD2 4.4Å; C109-Y259 HydrophobicContact CB-CE1 4.19Å; C109-Y259 HydrophobicContact CB-CE2 4.16Å; C109-C262 HydrophobicContact CB-CB 3.65Å; C109-C262 WeakPolarHBondContact CB-SG 3.37Å; C109-C262 WeakPolarHBondContact SG-CB 3.5Å; C109-C262 PolarHBondContact SG-O 2.84Å; C109-C262 CovalentContact SG-SG 2.03Å; C109-C262 PolarHBondContact SG-SG 2.82Å; C109-L263 HydrophobicContact CB-CD2 3.87Å; C109-L263 HydrophobicContact CB-CG 4.17Å; C109-T266 PolarHBondContact SG-OG1 2.75Å
110	D	91.1	Very high	97.2	Very high	60 Å²	60	20.8 Å²	20.8	32%	0.321	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.4	175.6	65.6	3.9	0	0	0	113.8	G108 R112	G108-D110 PolarHBondContact O-N 3.15Å; G108-D110 VanDerWaalsContact O-N 3.07Å; D110-R112 PolarHBondContact O-N 2.82Å; D110-R112 WeakPolarHBondContact OD1-CB 3.37Å; D110-R112 PolarHBondContact OD1-N 2.79Å; D110-R112 IonicContact OD1-NE 3.57Å; D110-R112 IonicContact OD2-CZ 2.79Å; D110-R112 IonicContact OD2-NE 2.73Å; D110-R112 PolarHBondContact OD2-NE 3Å; D110-R112 IonicContact OD2-NH2 3.68Å; D110-R112 PolarHBondContact OD2-NH2 3.11Å
111	G	91.7	Very high	97.2	Very high	54 Å²	54	20.7 Å²	20.7	56%	0.557	12%	0.118	S	C	*	.	S	Bend	trans	79.2	-5.3	-179.2	0	0	0	0	0	114.5	G108	G108-G111 PolarHBondContact O-N 3.35Å; G108-G111 VanDerWaalsContact O-N 3.08Å
112	R	94.4	Very high	97.2	Very high	122 Å²	122	21.5 Å²	21.5	46%	0.46	12%	0.122	S	C	.	.	S	Bend	trans	-82.2	164.6	170.7	-58.9	-177.4	-65.4	168.1	3.9	109.5	N107 G108 D110 G114	N107-R112 CarbonylContact C-O 3.51Å; N107-R112 VanDerWaalsContact CA-O 3.29Å; N107-R112 WeakPolarHBondContact CA-O 3.5Å; G108-R112 PolarHBondContact N-O 3.29Å; D110-R112 PolarHBondContact O-N 2.82Å; D110-R112 WeakPolarHBondContact OD1-CB 3.37Å; D110-R112 PolarHBondContact OD1-N 2.79Å; D110-R112 IonicContact OD1-NE 3.57Å; D110-R112 IonicContact OD2-CZ 2.79Å; D110-R112 IonicContact OD2-NE 2.73Å; D110-R112 PolarHBondContact OD2-NE 3Å; D110-R112 IonicContact OD2-NH2 3.68Å; D110-R112 PolarHBondContact OD2-NH2 3.11Å; R112-G114 PolarHBondContact O-N 3.29Å
113	V	97	Very high	97.2	Very high	41 Å²	41	29.5 Å²	29.5	25%	0.248	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	108	171.8	177.1	0	0	0	0	109.1	Y105 P239	Y105-V113 HydrophobicContact CD1-CG1 3.5Å; Y105-V113 HydrophobicContact CD1-CG2 4.48Å; Y105-V113 HydrophobicContact CE1-CG1 4.35Å; Y105-V113 HydrophobicContact CG-CG1 4.11Å; Y105-V113 HydrophobicContact CG-CG2 4.46Å; V113-P239 HydrophobicContact CG1-CB 4.16Å
114	G	97.2	Very high	97	Very high	16 Å²	16	34.9 Å²	34.9	17%	0.165	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-28.9	177.9	0	0	0	0	0	112.6	I106 R112 P239 L240	I106-G114 PolarHBondContact O-N 3.2Å; R112-G114 PolarHBondContact O-N 3.29Å; G114-P239 WeakPolarHBondContact O-CA 3.09Å; G114-L240 PolarHBondContact O-N 3.49Å
115	Y	98.7	Very high	96.9	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	-172.8	-34.5	-91.6	0	0	0	112.6	I106 L240 V242 D258 Y259	I106-Y115 HydrophobicContact CB-CD2 3.99Å; I106-Y115 HydrophobicContact CG2-CD2 3.97Å; I106-Y115 PolarHBondContact N-O 2.96Å; I106-Y115 PolarHBondContact O-N 3.21Å; Y115-L240 CarbonylContact C-O 3.55Å; Y115-L240 VanDerWaalsContact CA-O 3.22Å; Y115-L240 WeakPolarHBondContact CA-O 3.12Å; Y115-L240 HydrophobicContact CD1-CB 4.2Å; Y115-L240 HydrophobicContact CD1-CD1 4.33Å; Y115-L240 HydrophobicContact CE1-CD1 4.24Å; Y115-V242 HydrophobicContact CD1-CG2 4.28Å; Y115-D258 HydrophobicContact CE1-CB 4.37Å; Y115-D258 WeakPolarHBondContact CE1-OD2 3.36Å; Y115-D258 VanDerWaalsContact CZ-OD2 3.22Å; Y115-D258 PolarHBondContact OH-OD2 3.32Å; Y115-Y259 PolarHBondContact OH-N 2.71Å
116	I	98.9	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.6	157.7	-65.6	168.5	0	0	0	106.8	V88 A103 S104 Y105 M132 C136 V138 P239 L240 V241 V242	V88-I116 HydrophobicContact CG2-CG1 4.41Å; V88-I116 HydrophobicContact CG2-CG2 3.9Å; A103-I116 HydrophobicContact CB-CG2 3.96Å; S104-I116 WeakPolarHBondContact O-CA 3.4Å; Y105-I116 HydrophobicContact CD1-CD1 4.26Å; Y105-I116 HydrophobicContact CD1-CG1 3.66Å; Y105-I116 HydrophobicContact CE1-CD1 3.83Å; Y105-I116 HydrophobicContact CE1-CG1 3.76Å; I116-M132 HydrophobicContact CD1-CG 4.49Å; I116-M132 HydrophobicContact CG2-CE 3.89Å; I116-M132 HydrophobicContact CG2-SD 3.65Å; I116-C136 HydrophobicContact CD1-CB 3.74Å; I116-V138 HydrophobicContact CD1-CG2 4.29Å; I116-P239 HydrophobicContact CD1-CB 4.32Å; I116-P239 HydrophobicContact CD1-CG 3.66Å; I116-P239 HydrophobicContact CG1-CB 4.06Å; I116-P239 HydrophobicContact CG1-CG 3.93Å; I116-L240 PolarHBondContact N-O 3.4Å; I116-V241 HydrophobicContact CB-CG2 3.96Å; I116-V241 HydrophobicContact CD1-CG2 4.13Å; I116-V241 HydrophobicContact CG2-CG2 4.37Å; I116-V241 WeakPolarHBondContact O-CA 3.09Å; I116-V242 PolarHBondContact O-N 3.47Å
117	A	98.9	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.2	173.1	0	0	0	0	0	109.3	A103 S104 I106 V242 T251 R286 M289	A103-A117 CarbonylContact C-O 3.54Å; A103-A117 VanDerWaalsContact CA-O 3.27Å; A103-A117 WeakPolarHBondContact CA-O 3.21Å; S104-A117 PolarHBondContact N-O 3.34Å; S104-A117 PolarHBondContact O-N 3.25Å; I106-A117 HydrophobicContact CD1-CB 4.37Å; I106-A117 HydrophobicContact CG1-CB 3.86Å; A117-V242 WeakPolarHBondContact CA-O 3.27Å; A117-T251 HydrophobicContact CB-CG2 3.73Å; A117-R286 VanDerWaalsContact CB-CD 3.47Å; A117-R286 PolarHBondContact O-NH1 3.26Å; A117-M289 HydrophobicContact CB-CE 4.26Å
118	T	98.9	Very high	96.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.6	-175.7	-170.3	0	0	0	0	112	N102 A103 F129 M132 V241 V242 H243 G247	N102-T118 PolarHBondContact O-OG1 3.28Å; A103-T118 WeakPolarHBondContact CB-OG1 3.49Å; T118-F129 HydrophobicContact CG2-CD2 4.41Å; T118-F129 HydrophobicContact CG2-CE2 3.99Å; T118-M132 HydrophobicContact CG2-CE 4.09Å; T118-V241 HydrophobicContact CG2-CG1 4.05Å; T118-V242 PolarHBondContact N-O 2.92Å; T118-V242 VanDerWaalsContact N-O 3.14Å; T118-H243 HydrophobicContact CG2-CB 3.75Å; T118-H243 WeakPolarHBondContact O-CA 3.07Å; T118-H243 WeakPolarHBondContact O-CB 3.27Å; T118-G247 WeakPolarHBondContact O-CA 3.27Å
119	Q	98.8	Very high	96.8	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.028	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.9	159.2	171.4	72.7	-179.9	23.6	0	0	111.6	K74 N102 S245	K74-Q119 PolarHBondContact O-NE2 2.91Å; N102-Q119 HydrophobicContact CB-CG 4.14Å; N102-Q119 PolarHBondContact O-N 3.06Å; Q119-S245 CarbonylContact C-O 3.51Å; Q119-S245 WeakPolarHBondContact CA-O 3.48Å; Q119-S245 WeakPolarHBondContact CB-O 3.37Å
120	G	98.8	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.8	122	163.8	0	0	0	0	0	109.2	R76 L122 C244 S245	R76-G120 PolarHBondContact NE-O 3.12Å; R76-G120 PolarHBondContact NH2-O 2.99Å; G120-L122 PolarHBondContact O-N 3.49Å; G120-C244 WeakPolarHBondContact CA-O 3.42Å; G120-C244 PolarHBondContact N-O 3.22Å; G120-C244 VanDerWaalsContact N-O 3.09Å; G120-S245 PolarHBondContact N-O 3.49Å
121	P	98.6	Very high	97.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.019	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-57.8	141	-170.9	21.4	-34.3	0	0	0	112.2	R76 V126 F129 S156 Y158	R76-P121 PolarHBondContact NH2-O 2.99Å; P121-V126 HydrophobicContact CB-CG2 4.24Å; P121-F129 HydrophobicContact CB-CB 4.16Å; P121-F129 HydrophobicContact CB-CG 4.42Å; P121-F129 HydrophobicContact CG-CD2 4.31Å; P121-F129 HydrophobicContact CG-CG 4.27Å; P121-S156 WeakPolarHBondContact O-CB 3.5Å; P121-S156 PolarHBondContact O-N 3.12Å; P121-S156 PolarHBondContact O-OG 3.46Å; P121-Y158 HydrophobicContact CG-CD1 3.45Å; P121-Y158 VanDerWaalsContact CG-CD1 3.45Å; P121-Y158 HydrophobicContact CG-CE1 4.18Å; P121-Y158 HydrophobicContact CG-CG 4.05Å
122	L	98.3	Very high	97.5	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.141	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-74.8	162.3	163.9	-61.1	164.6	0	0	0	108.9	I73 R76 G120 H124 T125 V126 S156	I73-L122 WeakPolarHBondContact O-CD1 3.44Å; R76-L122 HydrophobicContact CB-CD2 4.06Å; R76-L122 HydrophobicContact CB-CG 4.34Å; R76-L122 HydrophobicContact CG-CD2 4.2Å; G120-L122 PolarHBondContact O-N 3.49Å; L122-H124 VanDerWaalsContact C-N 3.31Å; L122-H124 PolarHBondContact O-N 3.14Å; L122-T125 HydrophobicContact CB-CG2 4.06Å; L122-T125 HydrophobicContact CD1-CG2 4.22Å; L122-T125 PolarHBondContact N-OG1 3.02Å; L122-T125 CarbonylContact O-C 3.56Å; L122-T125 PolarHBondContact O-N 3.21Å; L122-T125 PolarHBondContact O-OG1 2.92Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.18Å; L122-S156 WeakPolarHBondContact CA-OG 3.48Å
123	E	97.4	Very high	97.7	Very high	169 Å²	169	25.1 Å²	25.1	79%	0.79	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-56.4	-47.5	-177.9	-177.3	170.1	-168.9	0	0	111.3	T125 V126 S156	E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 PolarHBondContact O-N 3.21Å; E123-V126 PolarHBondContact O-N 3.03Å; E123-S156 PolarHBondContact N-OG 2.88Å
124	H	95.8	Very high	97.7	Very high	114 Å²	114	23.2 Å²	23.2	53%	0.528	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-78.3	0.1	177.2	59.2	-75.4	0	0	0	114.6	I73 L122	I73-H124 PolarHBondContact O-CE1 2.78Å; I73-H124 PolarHBondContact O-NE2 2.73Å; L122-H124 VanDerWaalsContact C-N 3.31Å; L122-H124 PolarHBondContact O-N 3.14Å
125	T	96.9	Very high	97.6	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.067	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-113	5.1	174.2	73.2	0	0	0	0	113.2	K74 L122 E123 D127 A128 F129	K74-T125 HydrophobicContact CB-CG2 4Å; K74-T125 HydrophobicContact CG-CG2 4.31Å; L122-T125 HydrophobicContact CB-CG2 4.06Å; L122-T125 HydrophobicContact CD1-CG2 4.22Å; L122-T125 PolarHBondContact N-OG1 3.02Å; L122-T125 CarbonylContact O-C 3.56Å; L122-T125 PolarHBondContact O-N 3.21Å; L122-T125 PolarHBondContact O-OG1 2.92Å; E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 PolarHBondContact O-N 3.21Å; T125-D127 VanDerWaalsContact C-N 3.3Å; T125-D127 PolarHBondContact O-N 3.47Å; T125-A128 PolarHBondContact O-N 3.03Å; T125-F129 PolarHBondContact O-N 2.83Å
126	V	97.6	Very high	97.6	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.055	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-38.1	177.7	177.5	0	0	0	0	111.4	P121 L122 E123 F129 W130 Y168	P121-V126 HydrophobicContact CB-CG2 4.24Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.18Å; E123-V126 PolarHBondContact O-N 3.03Å; V126-F129 WeakPolarHBondContact O-CB 3.46Å; V126-F129 PolarHBondContact O-N 3.02Å; V126-W130 PolarHBondContact O-N 3.48Å; V126-Y168 HydrophobicContact CB-CD1 4.41Å; V126-Y168 HydrophobicContact CG1-CD1 3.41Å; V126-Y168 VanDerWaalsContact CG1-CD1 3.41Å; V126-Y168 HydrophobicContact CG1-CE1 3.45Å; V126-Y168 VanDerWaalsContact CG1-CE1 3.45Å; V126-Y168 HydrophobicContact CG1-CG 4.16Å
127	D	95.6	Very high	97.5	Very high	76 Å²	76	30.6 Å²	30.6	41%	0.406	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-41.3	177.3	-73.7	8.2	0	0	0	112.1	T125 W130 S131 Y168 G169	T125-D127 VanDerWaalsContact C-N 3.3Å; T125-D127 PolarHBondContact O-N 3.47Å; D127-W130 PolarHBondContact O-N 3.34Å; D127-S131 WeakPolarHBondContact O-CB 3.2Å; D127-S131 PolarHBondContact O-N 2.97Å; D127-S131 PolarHBondContact O-OG 2.94Å; D127-Y168 WeakPolarHBondContact OD1-CA 3.37Å; D127-Y168 WeakPolarHBondContact OD1-CB 3.49Å; D127-G169 PolarHBondContact OD1-N 3.01Å; D127-G169 PolarHBondContact OD2-N 3.28Å
128	A	96.1	Very high	97.4	Very high	23 Å²	23	30.9 Å²	30.9	19%	0.19	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-41	174.3	0	0	0	0	0	111.4	L90 I101 T125 S131 M132	L90-A128 HydrophobicContact CD1-CB 3.75Å; I101-A128 HydrophobicContact CD1-CB 4.29Å; T125-A128 PolarHBondContact O-N 3.03Å; A128-S131 WeakPolarHBondContact O-CB 3.48Å; A128-S131 PolarHBondContact O-N 3.47Å; A128-M132 PolarHBondContact O-N 2.66Å
129	F	98.3	Very high	97.4	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-50.4	175.1	-179.4	-91.6	0	0	0	111.2	T118 P121 T125 V126 S131 M132 I133 I141 Y158 V241	T118-F129 HydrophobicContact CG2-CD2 4.41Å; T118-F129 HydrophobicContact CG2-CE2 3.99Å; P121-F129 HydrophobicContact CB-CB 4.16Å; P121-F129 HydrophobicContact CB-CG 4.42Å; P121-F129 HydrophobicContact CG-CD2 4.31Å; P121-F129 HydrophobicContact CG-CG 4.27Å; T125-F129 PolarHBondContact O-N 2.83Å; V126-F129 WeakPolarHBondContact O-CB 3.46Å; V126-F129 PolarHBondContact O-N 3.02Å; F129-S131 VanDerWaalsContact C-N 3.32Å; F129-S131 PolarHBondContact O-N 2.79Å; F129-M132 HydrophobicContact CD2-CE 4.16Å; F129-M132 HydrophobicContact CE2-CE 4.26Å; F129-M132 VanDerWaalsContact O-CB 3.25Å; F129-M132 WeakPolarHBondContact O-CB 3.46Å; F129-M132 PolarHBondContact O-N 3.47Å; F129-M132 VanDerWaalsContact O-N 3.15Å; F129-I133 HydrophobicContact CD1-CG1 4.05Å; F129-I133 HydrophobicContact CE1-CD1 3.97Å; F129-I133 HydrophobicContact CE1-CG1 3.78Å; F129-I133 HydrophobicContact CZ-CD1 3.96Å; F129-I133 HydrophobicContact CZ-CG1 4.3Å; F129-I133 WeakPolarHBondContact O-CG1 3.31Å; F129-I133 PolarHBondContact O-N 3.04Å; F129-I141 HydrophobicContact CE1-CD1 4.09Å; F129-I141 HydrophobicContact CZ-CD1 4.26Å; F129-I141 HydrophobicContact CZ-CG2 4.17Å; F129-Y158 HydrophobicContact CD1-CD2 4.28Å; F129-Y158 HydrophobicContact CD1-CG 4.39Å; F129-Y158 AromaticContact CE1-CD2 3.75Å; F129-Y158 HydrophobicContact CE1-CD2 3.75Å; F129-Y158 AromaticContact CE1-CE2 3.81Å; F129-Y158 HydrophobicContact CE1-CE2 3.81Å; F129-Y158 HydrophobicContact CE1-CG 4.18Å; F129-Y158 HydrophobicContact CZ-CD2 4.49Å; F129-Y158 HydrophobicContact CZ-CE2 4.18Å; F129-V241 HydrophobicContact CE2-CG1 4.12Å; F129-V241 HydrophobicContact CZ-CG1 4.21Å
130	W	97.6	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-35	177.4	-78.3	109.3	0	0	0	113.2	V126 D127 M132 I133 A134 I141 Y158 Y168 I171 V173 M190 L192	V126-W130 PolarHBondContact O-N 3.48Å; D127-W130 PolarHBondContact O-N 3.34Å; W130-M132 VanDerWaalsContact C-N 3.29Å; W130-M132 PolarHBondContact O-N 2.78Å; W130-I133 HydrophobicContact CE3-CB 3.99Å; W130-I133 HydrophobicContact CE3-CG1 4.07Å; W130-I133 HydrophobicContact CE3-CG2 3.99Å; W130-I133 HydrophobicContact CZ3-CB 4.41Å; W130-I133 HydrophobicContact CZ3-CG1 4.41Å; W130-I133 HydrophobicContact CZ3-CG2 3.95Å; W130-I133 PolarHBondContact O-N 3.28Å; W130-A134 WeakPolarHBondContact O-CB 3.41Å; W130-A134 PolarHBondContact O-N 3.5Å; W130-I141 HydrophobicContact CH2-CD1 4.47Å; W130-Y158 HydrophobicContact CZ2-CD2 4.1Å; W130-Y158 WeakPolarHBondContact CZ2-O 3.45Å; W130-Y158 PolarHBondContact NE1-O 2.79Å; W130-Y168 AromaticContact CD1-CD1 3.99Å; W130-Y168 AromaticContact CD1-CD2 3.24Å; W130-Y168 AromaticContact CD1-CE2 3.75Å; W130-Y168 AromaticContact CD1-CG 3.35Å; W130-Y168 HydrophobicContact CD2-CD2 4.33Å; W130-Y168 AromaticContact CE2-CE2 3.98Å; W130-Y168 AromaticContact CG-CD2 3.88Å; W130-Y168 HydrophobicContact CG-CD2 3.88Å; W130-Y168 HydrophobicContact CG-CG 4.13Å; W130-Y168 AromaticContact NE1-CD2 3.31Å; W130-Y168 VanDerWaalsContact NE1-CD2 3.31Å; W130-Y168 AromaticContact NE1-CE2 3.3Å; W130-Y168 VanDerWaalsContact NE1-CE2 3.3Å; W130-Y168 AromaticContact NE1-CG 3.82Å; W130-Y168 AromaticContact NE1-CZ 3.83Å; W130-I171 HydrophobicContact CB-CD1 4.06Å; W130-I171 HydrophobicContact CB-CG2 4.48Å; W130-I171 WeakPolarHBondContact O-CD1 3.38Å; W130-V173 HydrophobicContact CD2-CG2 3.7Å; W130-V173 HydrophobicContact CE3-CG2 3.74Å; W130-V173 HydrophobicContact CG-CG2 4.34Å; W130-V173 HydrophobicContact CH2-CB 4.46Å; W130-V173 HydrophobicContact CH2-CG1 3.67Å; W130-V173 HydrophobicContact CH2-CG2 3.96Å; W130-V173 HydrophobicContact CZ2-CB 4.32Å; W130-V173 HydrophobicContact CZ2-CG1 3.73Å; W130-V173 HydrophobicContact CZ2-CG2 3.91Å; W130-V173 HydrophobicContact CZ3-CG1 4.28Å; W130-V173 HydrophobicContact CZ3-CG2 3.87Å; W130-M190 HydrophobicContact CH2-CE 4.03Å; W130-M190 HydrophobicContact CH2-SD 3.77Å; W130-M190 HydrophobicContact CZ2-SD 4.07Å; W130-L192 HydrophobicContact CE3-CD1 3.76Å; W130-L192 HydrophobicContact CZ3-CD1 3.9Å
131	S	95.9	Very high	97.4	Very high	26 Å²	26	33.8 Å²	33.8	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-42.9	172.2	-61.2	0	0	0	0	111.4	D127 A128 F129 A134 Q135	D127-S131 WeakPolarHBondContact O-CB 3.2Å; D127-S131 PolarHBondContact O-N 2.97Å; D127-S131 PolarHBondContact O-OG 2.94Å; A128-S131 WeakPolarHBondContact O-CB 3.48Å; A128-S131 PolarHBondContact O-N 3.47Å; F129-S131 VanDerWaalsContact C-N 3.32Å; F129-S131 PolarHBondContact O-N 2.79Å; S131-A134 PolarHBondContact O-N 2.94Å; S131-Q135 WeakPolarHBondContact O-CB 3.39Å; S131-Q135 PolarHBondContact O-N 2.91Å
132	M	97.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-50.3	172.8	-171.6	-179.4	69.7	0	0	112	V88 L90 I101 A103 I116 T118 A128 F129 W130 A134 Q135 C136 V241	V88-M132 HydrophobicContact CB-SD 4.29Å; V88-M132 HydrophobicContact CG1-CG 3.88Å; V88-M132 HydrophobicContact CG1-SD 4.14Å; V88-M132 HydrophobicContact CG2-SD 4.21Å; L90-M132 HydrophobicContact CD2-CB 3.84Å; L90-M132 HydrophobicContact CD2-CG 4.44Å; I101-M132 HydrophobicContact CD1-CB 4.07Å; I101-M132 HydrophobicContact CD1-CE 4.35Å; I101-M132 HydrophobicContact CD1-SD 3.91Å; I101-M132 HydrophobicContact CG2-SD 4.29Å; A103-M132 HydrophobicContact CB-SD 3.68Å; I116-M132 HydrophobicContact CD1-CG 4.49Å; I116-M132 HydrophobicContact CG2-CE 3.89Å; I116-M132 HydrophobicContact CG2-SD 3.65Å; T118-M132 HydrophobicContact CG2-CE 4.09Å; A128-M132 PolarHBondContact O-N 2.66Å; F129-M132 HydrophobicContact CD2-CE 4.16Å; F129-M132 HydrophobicContact CE2-CE 4.26Å; F129-M132 VanDerWaalsContact O-CB 3.25Å; F129-M132 WeakPolarHBondContact O-CB 3.46Å; F129-M132 PolarHBondContact O-N 3.47Å; F129-M132 VanDerWaalsContact O-N 3.15Å; W130-M132 VanDerWaalsContact C-N 3.29Å; W130-M132 PolarHBondContact O-N 2.78Å; M132-A134 VanDerWaalsContact C-N 3.29Å; M132-A134 PolarHBondContact O-N 3.26Å; M132-Q135 PolarHBondContact O-N 3.22Å; M132-C136 WeakPolarHBondContact O-CB 3.38Å; M132-C136 PolarHBondContact O-N 3.27Å; M132-V241 HydrophobicContact CE-CG1 4.28Å; M132-V241 HydrophobicContact CE-CG2 4.16Å
133	I	98.3	Very high	97.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-54.4	-47.9	178.5	-61.4	-47.2	0	0	0	110.6	F129 W130 R137 V138 I141 L192 V201 V241	F129-I133 HydrophobicContact CD1-CG1 4.05Å; F129-I133 HydrophobicContact CE1-CD1 3.97Å; F129-I133 HydrophobicContact CE1-CG1 3.78Å; F129-I133 HydrophobicContact CZ-CD1 3.96Å; F129-I133 HydrophobicContact CZ-CG1 4.3Å; F129-I133 WeakPolarHBondContact O-CG1 3.31Å; F129-I133 PolarHBondContact O-N 3.04Å; W130-I133 HydrophobicContact CE3-CB 3.99Å; W130-I133 HydrophobicContact CE3-CG1 4.07Å; W130-I133 HydrophobicContact CE3-CG2 3.99Å; W130-I133 HydrophobicContact CZ3-CB 4.41Å; W130-I133 HydrophobicContact CZ3-CG1 4.41Å; W130-I133 HydrophobicContact CZ3-CG2 3.95Å; W130-I133 PolarHBondContact O-N 3.28Å; I133-R137 PolarHBondContact O-N 3.28Å; I133-V138 HydrophobicContact CD1-CB 4.16Å; I133-V138 HydrophobicContact CD1-CG1 4.08Å; I133-V138 HydrophobicContact CD1-CG2 4.27Å; I133-V138 HydrophobicContact CG2-CB 4.03Å; I133-V138 PolarHBondContact O-N 2.64Å; I133-I141 HydrophobicContact CD1-CD1 3.89Å; I133-I141 HydrophobicContact CD1-CG1 3.97Å; I133-I141 HydrophobicContact CG1-CD1 4.09Å; I133-L192 HydrophobicContact CB-CD1 4.48Å; I133-L192 HydrophobicContact CG2-CD1 3.81Å; I133-V201 HydrophobicContact CG2-CG1 4.29Å; I133-V201 HydrophobicContact CG2-CG2 4.01Å; I133-V241 HydrophobicContact CD1-CB 4.22Å; I133-V241 HydrophobicContact CD1-CG1 4.22Å; I133-V241 HydrophobicContact CD1-CG2 3.71Å
134	A	96.8	Very high	97.5	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-68	-47.3	-178.5	0	0	0	0	0	112.3	W130 S131 M132 R137 I171 L192 R199	W130-A134 WeakPolarHBondContact O-CB 3.41Å; W130-A134 PolarHBondContact O-N 3.5Å; S131-A134 PolarHBondContact O-N 2.94Å; M132-A134 VanDerWaalsContact C-N 3.29Å; M132-A134 PolarHBondContact O-N 3.26Å; A134-R137 PolarHBondContact O-N 3.01Å; A134-I171 HydrophobicContact CB-CD1 3.54Å; A134-I171 HydrophobicContact CB-CG1 4.3Å; A134-L192 HydrophobicContact CB-CD1 4.23Å; A134-L192 HydrophobicContact CB-CD2 4.28Å; A134-R199 VanDerWaalsContact CA-NH2 3.35Å; A134-R199 VanDerWaalsContact O-CZ 3.31Å; A134-R199 PolarHBondContact O-NH1 3.45Å; A134-R199 PolarHBondContact O-NH2 3.5Å
135	Q	96.2	Very high	97.6	Very high	55 Å²	55	18.9 Å²	18.9	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-61.7	-46.6	-179.2	177.3	179.6	-63.6	0	0	112	K89 S131 M132 R137	K89-Q135 PolarHBondContact O-NE2 2.98Å; S131-Q135 WeakPolarHBondContact O-CB 3.39Å; S131-Q135 PolarHBondContact O-N 2.91Å; M132-Q135 PolarHBondContact O-N 3.22Å; Q135-R137 PolarHBondContact O-N 3.09Å
136	C	97.1	Very high	97.6	Very high	17 Å²	17	21.3 Å²	21.3	12%	0.115	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.3	-177.3	-60.8	0	0	0	0	112.9	Y105 I116 M132 V138 P239	Y105-C136 PolarHBondContact OH-SG 2.59Å; Y105-C136 VanDerWaalsContact OH-SG 3.33Å; I116-C136 HydrophobicContact CD1-CB 3.74Å; M132-C136 WeakPolarHBondContact O-CB 3.38Å; M132-C136 PolarHBondContact O-N 3.27Å; C136-V138 HydrophobicContact CB-CG2 3.87Å; C136-V138 PolarHBondContact O-N 3.34Å; C136-P239 HydrophobicContact CB-CG 4.47Å
137	R	97.1	Very high	97.6	Very high	100 Å²	100	23.3 Å²	23.3	38%	0.377	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	35.3	-178	-46.8	-172	59.3	75.6	-0.6	114.1	I133 A134 Q135 K139 E197 R199 E238	I133-R137 PolarHBondContact O-N 3.28Å; A134-R137 PolarHBondContact O-N 3.01Å; Q135-R137 PolarHBondContact O-N 3.09Å; R137-K139 PolarHBondContact O-N 2.72Å; R137-E197 IonicContact CZ-OE1 2.84Å; R137-E197 VanDerWaalsContact CZ-OE1 3.31Å; R137-E197 IonicContact NH1-OE1 3.83Å; R137-E197 PolarHBondContact NH1-OE1 3.39Å; R137-E197 IonicContact NH1-OE2 3.38Å; R137-E197 PolarHBondContact NH1-OE2 2.87Å; R137-E197 IonicContact NH2-OE1 3.97Å; R137-E197 PolarHBondContact NH2-OE1 2.89Å; R137-R199 VanDerWaalsContact CG-NH1 3.35Å; R137-E238 HydrophobicContact CB-CG 4.22Å; R137-E238 WeakPolarHBondContact O-CG 3.44Å
138	V	98.4	Very high	97.7	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.03	12%	0.121	C	C	.	.			trans	-61	130.2	-176.5	173.6	0	0	0	0	110.2	I116 I133 C136 T140 I141 V201 P239 V241	I116-V138 HydrophobicContact CD1-CG2 4.29Å; I133-V138 HydrophobicContact CD1-CB 4.16Å; I133-V138 HydrophobicContact CD1-CG1 4.08Å; I133-V138 HydrophobicContact CD1-CG2 4.27Å; I133-V138 HydrophobicContact CG2-CB 4.03Å; I133-V138 PolarHBondContact O-N 2.64Å; C136-V138 HydrophobicContact CB-CG2 3.87Å; C136-V138 PolarHBondContact O-N 3.34Å; V138-T140 WeakPolarHBondContact CG1-O 3.2Å; V138-I141 HydrophobicContact CG1-CG1 4.2Å; V138-V201 WeakPolarHBondContact O-CG2 3.49Å; V138-P239 HydrophobicContact CG2-CG 4.43Å; V138-V241 HydrophobicContact CB-CG2 4.17Å; V138-V241 HydrophobicContact CG1-CB 4.07Å; V138-V241 HydrophobicContact CG1-CG2 3.66Å; V138-V241 HydrophobicContact CG2-CG2 3.49Å; V138-V241 VanDerWaalsContact CG2-CG2 3.49Å
139	K	98.3	Very high	97.7	Very high	69 Å²	69	23.5 Å²	23.5	30%	0.3	12%	0.117	S	C	.	.			trans	-99.2	-30	174.3	-65.8	169.6	-179.6	161.8	0	112	R137 V201 K202 N236 E238	R137-K139 PolarHBondContact O-N 2.72Å; K139-V201 CarbonylContact O-C 3.59Å; K139-V201 WeakPolarHBondContact O-CA 3.32Å; K139-K202 PolarHBondContact O-N 3.37Å; K139-N236 PolarHBondContact NZ-ND2 2.57Å; K139-E238 VanDerWaalsContact CE-CD 3.45Å; K139-E238 VanDerWaalsContact CE-OE1 3.22Å; K139-E238 WeakPolarHBondContact CE-OE1 3.49Å; K139-E238 IonicContact NZ-OE1 2.74Å; K139-E238 PolarHBondContact NZ-OE1 3.27Å; K139-E238 IonicContact NZ-OE2 3.55Å; K139-E238 PolarHBondContact NZ-OE2 2.72Å
140	T	98.8	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.9	-172.7	-54.9	0	0	0	0	111.5	V138 I142 K202 F204 V228 H231 Q232 L240 V241	V138-T140 WeakPolarHBondContact CG1-O 3.2Å; T140-I142 HydrophobicContact CG2-CG1 4.14Å; T140-K202 CarbonylContact C-O 3.6Å; T140-K202 WeakPolarHBondContact CA-O 3.45Å; T140-F204 HydrophobicContact CG2-CD2 3.63Å; T140-F204 HydrophobicContact CG2-CE2 3.7Å; T140-V228 HydrophobicContact CG2-CG1 4.24Å; T140-H231 PolarHBondContact OG1-CD2 3.29Å; T140-Q232 VanDerWaalsContact CB-OE1 3.25Å; T140-Q232 PolarHBondContact OG1-OE1 2.77Å; T140-L240 HydrophobicContact CG2-CD2 3.81Å; T140-V241 PolarHBondContact O-N 3.28Å
141	I	98.9	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.4	171.8	-58.7	169.5	0	0	0	108.1	F129 W130 I133 V138 Y158 M190 V201 K202 Q203 F204 V241	F129-I141 HydrophobicContact CE1-CD1 4.09Å; F129-I141 HydrophobicContact CZ-CD1 4.26Å; F129-I141 HydrophobicContact CZ-CG2 4.17Å; W130-I141 HydrophobicContact CH2-CD1 4.47Å; I133-I141 HydrophobicContact CD1-CD1 3.89Å; I133-I141 HydrophobicContact CD1-CG1 3.97Å; I133-I141 HydrophobicContact CG1-CD1 4.09Å; V138-I141 HydrophobicContact CG1-CG1 4.2Å; I141-Y158 HydrophobicContact CD1-CE2 4.48Å; I141-Y158 WeakPolarHBondContact CG2-OH 3.42Å; I141-M190 HydrophobicContact CD1-CE 4.44Å; I141-V201 HydrophobicContact CD1-CG1 3.64Å; I141-V201 HydrophobicContact CG1-CG1 3.85Å; I141-K202 PolarHBondContact N-O 2.94Å; I141-Q203 HydrophobicContact CB-CB 4.2Å; I141-Q203 HydrophobicContact CB-CG 4.22Å; I141-Q203 HydrophobicContact CG2-CG 4.12Å; I141-Q203 CarbonylContact O-C 3.59Å; I141-Q203 VanDerWaalsContact O-CA 3.25Å; I141-Q203 WeakPolarHBondContact O-CA 3.37Å; I141-F204 PolarHBondContact O-N 3.42Å; I141-V241 CarbonylContact C-O 3.59Å; I141-V241 WeakPolarHBondContact CA-O 3.46Å; I141-V241 HydrophobicContact CG1-CB 4.39Å; I141-V241 HydrophobicContact CG2-CG1 4.29Å
142	I	98.9	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.6	179.2	-52.9	-179.4	0	0	0	107.5	T140 L144 F204 F224 V228 L240 V241 V242 H243 F254	T140-I142 HydrophobicContact CG2-CG1 4.14Å; I142-L144 HydrophobicContact CG2-CD1 4.5Å; I142-L144 HydrophobicContact CG2-CD2 3.78Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; I142-F204 WeakPolarHBondContact CA-O 3.39Å; I142-F224 HydrophobicContact CG2-CE1 3.72Å; I142-F224 HydrophobicContact CG2-CZ 3.94Å; I142-V228 HydrophobicContact CD1-CG1 3.65Å; I142-V228 HydrophobicContact CD1-CG2 4.15Å; I142-V228 HydrophobicContact CG1-CG1 4.44Å; I142-V228 HydrophobicContact CG1-CG2 4.41Å; I142-L240 HydrophobicContact CD1-CB 4.43Å; I142-L240 HydrophobicContact CD1-CD1 4.18Å; I142-V241 PolarHBondContact N-O 3.06Å; I142-V242 HydrophobicContact CB-CB 4.49Å; I142-V242 HydrophobicContact CB-CG1 4.2Å; I142-V242 HydrophobicContact CB-CG2 4.35Å; I142-V242 HydrophobicContact CD1-CG2 4.09Å; I142-V242 HydrophobicContact CG2-CG1 4.29Å; I142-H243 PolarHBondContact O-CD2 3.24Å; I142-H243 PolarHBondContact O-N 3.09Å; I142-F254 HydrophobicContact CD1-CD1 4.09Å; I142-F254 HydrophobicContact CD1-CE1 3.23Å; I142-F254 HydrophobicContact CD1-CZ 3.51Å; I142-F254 HydrophobicContact CG2-CD1 4.45Å; I142-F254 HydrophobicContact CG2-CE1 4.33Å; I142-F254 HydrophobicContact CG2-CE2 4.45Å; I142-F254 HydrophobicContact CG2-CZ 4.33Å
143	M	98.8	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.1	179.8	176.3	164.3	177.6	0	0	109	C145 L147 C155 Y158 W159 Q203 F204 H205 F206 H243	M143-C145 WeakPolarHBondContact CE-O 3.45Å; M143-L147 HydrophobicContact CE-CD2 3.96Å; M143-L147 HydrophobicContact CE-CG 4.49Å; M143-C155 HydrophobicContact CE-CB 4.1Å; M143-Y158 HydrophobicContact SD-CE1 4.08Å; M143-W159 HydrophobicContact CE-CH2 3.88Å; M143-W159 HydrophobicContact CE-CZ3 4.07Å; M143-W159 HydrophobicContact SD-CH2 3.77Å; M143-W159 HydrophobicContact SD-CZ3 3.59Å; M143-W159 VanDerWaalsContact SD-CZ3 3.59Å; M143-Q203 HydrophobicContact CB-CG 4.42Å; M143-Q203 PolarHBondContact SD-NE2 3.46Å; M143-Q203 VanDerWaalsContact SD-NE2 3.45Å; M143-F204 PolarHBondContact N-O 3.19Å; M143-H205 HydrophobicContact CB-CB 4.33Å; M143-H205 CarbonylContact O-C 3.57Å; M143-H205 WeakPolarHBondContact O-CA 3.5Å; M143-F206 PolarHBondContact O-N 2.68Å; M143-H243 WeakPolarHBondContact CB-NE2 3.35Å; M143-H243 VanDerWaalsContact CG-CE1 3.44Å; M143-H243 WeakPolarHBondContact CG-CE1 3.33Å
144	L	98.5	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.			trans	-112.8	33.1	-173.6	-56.6	169.8	0	0	0	111.8	I142 F206 W209 F224 V242 H243 C244 R250 F254	I142-L144 HydrophobicContact CG2-CD1 4.5Å; I142-L144 HydrophobicContact CG2-CD2 3.78Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; L144-F206 HydrophobicContact CD2-CB 3.88Å; L144-W209 HydrophobicContact CD2-CE3 4.38Å; L144-W209 HydrophobicContact CD2-CZ3 4.31Å; L144-F224 HydrophobicContact CD2-CE1 4.16Å; L144-V242 HydrophobicContact CD1-CG1 3.77Å; L144-H243 PolarHBondContact N-O 2.94Å; L144-C244 HydrophobicContact CB-CB 4.16Å; L144-R250 HydrophobicContact CB-CB 4.02Å; L144-R250 HydrophobicContact CD1-CB 4.33Å; L144-R250 WeakPolarHBondContact CD1-O 3.5Å; L144-R250 WeakPolarHBondContact O-CD 3.38Å; L144-R250 PolarHBondContact O-NE 3.02Å; L144-R250 PolarHBondContact O-NH1 3.39Å; L144-F254 HydrophobicContact CD1-CB 3.56Å; L144-F254 HydrophobicContact CD1-CG 4.13Å; L144-F254 HydrophobicContact CD2-CD2 4.3Å
145	C	97.6	Very high	97.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.239	C	C	.	.	S	Bend	trans	-153.6	159.4	178	63.5	0	0	0	0	110.7	M143 E149 H205 C244 R250	M143-C145 WeakPolarHBondContact CE-O 3.45Å; C145-E149 VanDerWaalsContact CA-OE1 3.31Å; C145-E149 WeakPolarHBondContact CA-OE1 3.22Å; C145-E149 WeakPolarHBondContact CB-OE1 3.3Å; C145-H205 PolarHBondContact O-NE2 3.49Å; C145-C244 HydrophobicContact CB-CB 4.26Å; C145-C244 PolarHBondContact SG-O 3.44Å; C145-R250 VanDerWaalsContact CA-NH1 3.34Å; C145-R250 VanDerWaalsContact CB-NH1 3.32Å
146	E	97.4	Very high	97.4	Very high	61 Å²	61	42.9 Å²	42.9	29%	0.285	24%	0.235	S	C	.	.			trans	-77.2	169.2	163.5	-61.4	-54.2	147.7	0	0	111.7	V148 E149 K154 H205 H207	E146-V148 VanDerWaalsContact C-N 3.32Å; E146-E149 HydrophobicContact CB-CG 3.82Å; E146-E149 HydrophobicContact CG-CG 4.45Å; E146-E149 PolarHBondContact N-OE1 3.48Å; E146-K154 WeakPolarHBondContact O-CB 3.28Å; E146-H205 IonicContact OE1-NE2 3.86Å; E146-H205 IonicContact OE2-CE1 2.74Å; E146-H205 PolarHBondContact OE2-CE1 2.9Å; E146-H205 IonicContact OE2-NE2 2.66Å; E146-H207 WeakPolarHBondContact OE1-CA 3.16Å; E146-H207 WeakPolarHBondContact OE1-CB 3.37Å; E146-H207 IonicContact OE1-CE1 3.21Å; E146-H207 IonicContact OE1-CG 2.73Å; E146-H207 IonicContact OE1-ND1 3.65Å; E146-H207 PolarHBondContact OE1-ND1 2.97Å; E146-H207 IonicContact OE2-ND1 3.66Å
147	L	97.8	Very high	97.4	Very high	52 Å²	52	46.4 Å²	46.4	27%	0.272	25%	0.248	S	C	.	.	S	Bend	trans	-66.5	-39.2	171.6	-64.7	176	0	0	0	111.1	M143 T153 K154 C155 K157 W159	M143-L147 HydrophobicContact CE-CD2 3.96Å; M143-L147 HydrophobicContact CE-CG 4.49Å; L147-T153 CarbonylContact O-C 3.58Å; L147-T153 WeakPolarHBondContact O-CA 3.49Å; L147-K154 PolarHBondContact O-N 3.35Å; L147-C155 HydrophobicContact CD2-CB 4.29Å; L147-C155 WeakPolarHBondContact CD2-O 3.36Å; L147-C155 PolarHBondContact O-N 3.3Å; L147-K157 HydrophobicContact CD1-CB 3.95Å; L147-K157 HydrophobicContact CD1-CG 4.32Å; L147-K157 HydrophobicContact CD2-CB 4.09Å; L147-W159 HydrophobicContact CD1-CH2 4.35Å; L147-W159 HydrophobicContact CD2-CH2 3.74Å; L147-W159 HydrophobicContact CD2-CZ3 4.13Å; L147-W159 HydrophobicContact CG-CH2 4.19Å
148	V	97	Very high	97.5	Very high	83 Å²	83	41.6 Å²	41.6	50%	0.503	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.4	178.8	-178.6	0	0	0	0	108.5	E146 K152	E146-V148 VanDerWaalsContact C-N 3.32Å; V148-K152 WeakPolarHBondContact CA-O 3.42Å
149	E	95.6	Very high	97.5	Very high	19 Å²	19	42 Å²	42	9%	0.089	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.1	175.4	-60.1	170.8	173.4	0	0	107.4	C145 E146 G151 K152 K154 D211 R250	C145-E149 VanDerWaalsContact CA-OE1 3.31Å; C145-E149 WeakPolarHBondContact CA-OE1 3.22Å; C145-E149 WeakPolarHBondContact CB-OE1 3.3Å; E146-E149 HydrophobicContact CB-CG 3.82Å; E146-E149 HydrophobicContact CG-CG 4.45Å; E146-E149 PolarHBondContact N-OE1 3.48Å; E149-G151 PolarHBondContact O-N 2.82Å; E149-K152 PolarHBondContact N-O 2.94Å; E149-K152 PolarHBondContact O-N 3.09Å; E149-K154 HydrophobicContact CB-CD 4.42Å; E149-K154 HydrophobicContact CB-CG 3.8Å; E149-K154 HydrophobicContact CG-CG 3.8Å; E149-K154 WeakPolarHBondContact OE2-CE 3.44Å; E149-K154 WeakPolarHBondContact OE2-CG 3.47Å; E149-D211 WeakPolarHBondContact OE2-CB 3.46Å; E149-R250 IonicContact OE1-CZ 2.64Å; E149-R250 IonicContact OE1-NH1 3.73Å; E149-R250 PolarHBondContact OE1-NH1 2.88Å; E149-R250 IonicContact OE1-NH2 2.69Å; E149-R250 IonicContact OE2-CZ 3.4Å; E149-R250 IonicContact OE2-NH1 3.47Å; E149-R250 PolarHBondContact OE2-NH1 3.01Å; E149-R250 IonicContact OE2-NH2 3.45Å; E149-R250 PolarHBondContact OE2-NH2 3.07Å
150	D	92.6	Very high	97.4	Very high	145 Å²	145	38.8 Å²	38.8	78%	0.775	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	41.7	-178.2	-52.1	-42.1	0	0	0	113.6	K152	D150-K152 PolarHBondContact O-N 3.13Å
151	G	94.3	Very high	97.2	Very high	74 Å²	74	41.2 Å²	41.2	76%	0.763	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	0.4	-179.2	0	0	0	0	0	115.3	E149	E149-G151 PolarHBondContact O-N 2.82Å
152	K	95.5	Very high	96.9	Very high	146 Å²	146	45.6 Å²	45.6	64%	0.635	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.3	-178.7	-63.4	179.8	-178.3	179	0	111.2	V148 E149 D150 K154	V148-K152 WeakPolarHBondContact CA-O 3.42Å; E149-K152 PolarHBondContact N-O 2.94Å; E149-K152 PolarHBondContact O-N 3.09Å; D150-K152 PolarHBondContact O-N 3.13Å; K152-K154 PolarHBondContact O-N 3.19Å
153	T	97.3	Very high	96.1	Very high	86 Å²	86	55.2 Å²	55.2	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	113.6	173	-57.8	0	0	0	0	110.6	R76 L147	R76-T153 PolarHBondContact NH1-O 3.43Å; L147-T153 CarbonylContact O-C 3.58Å; L147-T153 WeakPolarHBondContact O-CA 3.49Å
154	K	97.9	Very high	95.8	Very high	17 Å²	17	58.9 Å²	58.9	7%	0.074	32%	0.316	C	S	.	.			trans	-95.3	-31.2	178.6	-60.9	-61.9	-172.2	174.6	0	112.6	R76 E146 L147 E149 K152 D211 S245	R76-K154 PolarHBondContact NE-O 3.18Å; R76-K154 VanDerWaalsContact NE-O 3.12Å; E146-K154 WeakPolarHBondContact O-CB 3.28Å; L147-K154 PolarHBondContact O-N 3.35Å; E149-K154 HydrophobicContact CB-CD 4.42Å; E149-K154 HydrophobicContact CB-CG 3.8Å; E149-K154 HydrophobicContact CG-CG 3.8Å; E149-K154 WeakPolarHBondContact OE2-CE 3.44Å; E149-K154 WeakPolarHBondContact OE2-CG 3.47Å; K152-K154 PolarHBondContact O-N 3.19Å; K154-D211 WeakPolarHBondContact CE-OD2 3.43Å; K154-D211 IonicContact NZ-OD2 3.44Å; K154-D211 PolarHBondContact NZ-OD2 3.32Å; K154-S245 WeakPolarHBondContact CA-OG 3.25Å; K154-S245 PolarHBondContact O-OG 2.83Å; K154-S245 VanDerWaalsContact O-OG 3.09Å
155	C	98.4	Very high	95.4	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.014	35%	0.353	C	S	.	.			trans	-151.5	137.9	-179	-176.6	0	0	0	0	109.8	M143 L147	M143-C155 HydrophobicContact CE-CB 4.1Å; L147-C155 HydrophobicContact CD2-CB 4.29Å; L147-C155 WeakPolarHBondContact CD2-O 3.36Å; L147-C155 PolarHBondContact O-N 3.3Å
156	S	98.4	Very high	95.4	Very high	23 Å²	23	71.8 Å²	71.8	16%	0.161	37%	0.371	C	S	.	.			trans	-77.3	143.6	170.4	-44	0	0	0	0	109.1	P121 L122 E123 Y158	P121-S156 WeakPolarHBondContact O-CB 3.5Å; P121-S156 PolarHBondContact O-N 3.12Å; P121-S156 PolarHBondContact O-OG 3.46Å; L122-S156 WeakPolarHBondContact CA-OG 3.48Å; E123-S156 PolarHBondContact N-OG 2.88Å; S156-Y158 WeakPolarHBondContact O-CD1 3.4Å; S156-Y158 PolarHBondContact O-N 3.23Å
157	K	98.2	Very high	95.3	Very high	91 Å²	91	72.3 Å²	72.3	40%	0.396	38%	0.382	S	S	.	.			trans	-67.7	110	176.3	-173.6	-178.2	175.7	-173	0	109.3	L147 W159 S161	L147-K157 HydrophobicContact CD1-CB 3.95Å; L147-K157 HydrophobicContact CD1-CG 4.32Å; L147-K157 HydrophobicContact CD2-CB 4.09Å; K157-W159 VanDerWaalsContact CE-O 3.23Å; K157-W159 WeakPolarHBondContact CE-O 3.37Å; K157-W159 HydrophobicContact CG-CD2 3.96Å; K157-W159 HydrophobicContact CG-CE3 4.22Å; K157-W159 HydrophobicContact CG-CG 4.48Å; K157-W159 HydrophobicContact CG-CH2 4.37Å; K157-W159 HydrophobicContact CG-CZ2 4.11Å; K157-W159 HydrophobicContact CG-CZ3 4.41Å; K157-S161 PolarHBondContact NZ-OG 3.4Å
158	Y	98.3	Very high	95.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.37	C	S	.	.			trans	-102	2.8	-177.6	58.3	-99.8	0	0	0	113.7	P121 F129 W130 I141 M143 S156 Y168 Q203 H243	P121-Y158 HydrophobicContact CG-CD1 3.45Å; P121-Y158 VanDerWaalsContact CG-CD1 3.45Å; P121-Y158 HydrophobicContact CG-CE1 4.18Å; P121-Y158 HydrophobicContact CG-CG 4.05Å; F129-Y158 HydrophobicContact CD1-CD2 4.28Å; F129-Y158 HydrophobicContact CD1-CG 4.39Å; F129-Y158 AromaticContact CE1-CD2 3.75Å; F129-Y158 HydrophobicContact CE1-CD2 3.75Å; F129-Y158 AromaticContact CE1-CE2 3.81Å; F129-Y158 HydrophobicContact CE1-CE2 3.81Å; F129-Y158 HydrophobicContact CE1-CG 4.18Å; F129-Y158 HydrophobicContact CZ-CD2 4.49Å; F129-Y158 HydrophobicContact CZ-CE2 4.18Å; W130-Y158 HydrophobicContact CZ2-CD2 4.1Å; W130-Y158 WeakPolarHBondContact CZ2-O 3.45Å; W130-Y158 PolarHBondContact NE1-O 2.79Å; I141-Y158 HydrophobicContact CD1-CE2 4.48Å; I141-Y158 WeakPolarHBondContact CG2-OH 3.42Å; M143-Y158 HydrophobicContact SD-CE1 4.08Å; S156-Y158 WeakPolarHBondContact O-CD1 3.4Å; S156-Y158 PolarHBondContact O-N 3.23Å; Y158-Y168 VanDerWaalsContact C-OH 3.3Å; Y158-Y168 VanDerWaalsContact O-CZ 3.29Å; Y158-Y168 PolarHBondContact O-OH 2.86Å; Y158-Q203 VanDerWaalsContact CZ-NE2 3.27Å; Y158-Q203 PolarHBondContact OH-NE2 2.89Å; Y158-H243 AromaticContact CE1-CE1 3.69Å; Y158-H243 AromaticContact CE1-NE2 3.42Å; Y158-H243 WeakPolarHBondContact CE1-NE2 3.14Å; Y158-H243 AromaticContact CZ-NE2 3.43Å; Y158-H243 PolarHBondContact OH-NE2 3.12Å
159	W	98.2	Very high	94.9	Very high	13 Å²	13	68.5 Å²	68.5	5%	0.049	37%	0.37	C	S	.	.	S	Bend	trans	-113.3	144.9	175.8	62.9	96.8	0	0	0	111	M143 L147 K157 M190	M143-W159 HydrophobicContact CE-CH2 3.88Å; M143-W159 HydrophobicContact CE-CZ3 4.07Å; M143-W159 HydrophobicContact SD-CH2 3.77Å; M143-W159 HydrophobicContact SD-CZ3 3.59Å; M143-W159 VanDerWaalsContact SD-CZ3 3.59Å; L147-W159 HydrophobicContact CD1-CH2 4.35Å; L147-W159 HydrophobicContact CD2-CH2 3.74Å; L147-W159 HydrophobicContact CD2-CZ3 4.13Å; L147-W159 HydrophobicContact CG-CH2 4.19Å; K157-W159 VanDerWaalsContact CE-O 3.23Å; K157-W159 WeakPolarHBondContact CE-O 3.37Å; K157-W159 HydrophobicContact CG-CD2 3.96Å; K157-W159 HydrophobicContact CG-CE3 4.22Å; K157-W159 HydrophobicContact CG-CG 4.48Å; K157-W159 HydrophobicContact CG-CH2 4.37Å; K157-W159 HydrophobicContact CG-CZ2 4.11Å; K157-W159 HydrophobicContact CG-CZ3 4.41Å; W159-M190 HydrophobicContact CB-SD 3.64Å
160	P	97.1	Very high	94.7	Very high	1 Å²	1	71 Å²	71	1%	0.006	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-72.2	167.3	175.2	32.5	-36.1	0	0	0	111.4	E164 K166 V173 L175	P160-E164 HydrophobicContact CB-CB 4.03Å; P160-E164 HydrophobicContact CB-CG 4.11Å; P160-K166 HydrophobicContact CB-CB 3.97Å; P160-V173 HydrophobicContact CG-CG1 4.23Å; P160-L175 HydrophobicContact CG-CB 4.19Å; P160-L175 WeakPolarHBondContact O-CD2 3.48Å
161	S	95.4	Very high	94.8	Very high	51 Å²	51	64 Å²	64	36%	0.357	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-76.6	165.6	172.1	-48.8	0	0	0	0	111.5	K157 K163 E164	K157-S161 PolarHBondContact NZ-OG 3.4Å; S161-K163 PolarHBondContact O-N 3Å; S161-E164 WeakPolarHBondContact CB-OE2 3.11Å; S161-E164 PolarHBondContact N-OE2 2.71Å; S161-E164 VanDerWaalsContact O-CB 3.29Å; S161-E164 WeakPolarHBondContact O-CB 3.2Å; S161-E164 PolarHBondContact O-N 3.42Å; S161-E164 PolarHBondContact OG-OE2 2.95Å
162	I	91.2	Very high	94.9	Very high	93 Å²	93	66.6 Å²	66.6	48%	0.477	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-57.5	133.7	177.3	-64.9	175.8	0	0	0	109	E164 L175 E178	I162-E164 PolarHBondContact O-N 3.39Å; I162-L175 HydrophobicContact CG1-CD2 3.64Å; I162-L175 HydrophobicContact CG1-CG 4.14Å; I162-E178 HydrophobicContact CD1-CB 4.17Å
163	K	82.8	Confident	95.1	Very high	202 Å²	202	59.7 Å²	59.7	88%	0.878	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-1.8	-174.5	-59.2	163.6	-176.9	-179.6	0	116	S161	S161-K163 PolarHBondContact O-N 3Å
164	E	91.3	Very high	95.1	Very high	77 Å²	77	56.9 Å²	56.9	36%	0.36	29%	0.291	S	S	.	.			trans	-87.1	143.1	173.6	-172.8	-171.5	172	0	0	110.6	P160 S161 I162	P160-E164 HydrophobicContact CB-CB 4.03Å; P160-E164 HydrophobicContact CB-CG 4.11Å; S161-E164 WeakPolarHBondContact CB-OE2 3.11Å; S161-E164 PolarHBondContact N-OE2 2.71Å; S161-E164 VanDerWaalsContact O-CB 3.29Å; S161-E164 WeakPolarHBondContact O-CB 3.2Å; S161-E164 PolarHBondContact O-N 3.42Å; S161-E164 PolarHBondContact OG-OE2 2.95Å; I162-E164 PolarHBondContact O-N 3.39Å
165	K	92.1	Very high	95	Very high	180 Å²	180	56.5 Å²	56.5	78%	0.783	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	119	167.4	-70.3	177.2	179	174.7	0	107.2	V173	K165-V173 WeakPolarHBondContact CA-O 3.49Å
166	K	96.3	Very high	94.9	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.5	178	-170.6	161.5	173.6	-175.3	0	110	P160 Y168 V173	P160-K166 HydrophobicContact CB-CB 3.97Å; K166-Y168 HydrophobicContact CB-CE2 4.15Å; K166-Y168 HydrophobicContact CD-CE1 3.76Å; K166-Y168 WeakPolarHBondContact CD-OH 3.45Å; K166-Y168 HydrophobicContact CG-CD1 4.47Å; K166-Y168 HydrophobicContact CG-CE1 3.87Å; K166-Y168 HydrophobicContact CG-CE2 4.19Å; K166-V173 PolarHBondContact N-O 3.44Å; K166-V173 PolarHBondContact O-N 3.35Å
167	S	95.7	Very high	94.8	Very high	72 Å²	72	63 Å²	63	50%	0.503	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.8	173	-58.7	0	0	0	0	109.1	I171	S167-I171 CarbonylContact C-O 3.59Å; S167-I171 WeakPolarHBondContact CA-O 3.47Å
168	Y	94	Very high	94.8	Very high	6 Å²	6	62.7 Å²	62.7	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	101.8	172.7	-56.7	-72.8	0	0	0	106.5	V126 D127 W130 Y158 K166 N170 I171 V173	V126-Y168 HydrophobicContact CB-CD1 4.41Å; V126-Y168 HydrophobicContact CG1-CD1 3.41Å; V126-Y168 VanDerWaalsContact CG1-CD1 3.41Å; V126-Y168 HydrophobicContact CG1-CE1 3.45Å; V126-Y168 VanDerWaalsContact CG1-CE1 3.45Å; V126-Y168 HydrophobicContact CG1-CG 4.16Å; D127-Y168 WeakPolarHBondContact OD1-CA 3.37Å; D127-Y168 WeakPolarHBondContact OD1-CB 3.49Å; W130-Y168 AromaticContact CD1-CD1 3.99Å; W130-Y168 AromaticContact CD1-CD2 3.24Å; W130-Y168 AromaticContact CD1-CE2 3.75Å; W130-Y168 AromaticContact CD1-CG 3.35Å; W130-Y168 HydrophobicContact CD2-CD2 4.33Å; W130-Y168 AromaticContact CE2-CE2 3.98Å; W130-Y168 AromaticContact CG-CD2 3.88Å; W130-Y168 HydrophobicContact CG-CD2 3.88Å; W130-Y168 HydrophobicContact CG-CG 4.13Å; W130-Y168 AromaticContact NE1-CD2 3.31Å; W130-Y168 VanDerWaalsContact NE1-CD2 3.31Å; W130-Y168 AromaticContact NE1-CE2 3.3Å; W130-Y168 VanDerWaalsContact NE1-CE2 3.3Å; W130-Y168 AromaticContact NE1-CG 3.82Å; W130-Y168 AromaticContact NE1-CZ 3.83Å; Y158-Y168 VanDerWaalsContact C-OH 3.3Å; Y158-Y168 VanDerWaalsContact O-CZ 3.29Å; Y158-Y168 PolarHBondContact O-OH 2.86Å; K166-Y168 HydrophobicContact CB-CE2 4.15Å; K166-Y168 HydrophobicContact CD-CE1 3.76Å; K166-Y168 WeakPolarHBondContact CD-OH 3.45Å; K166-Y168 HydrophobicContact CG-CD1 4.47Å; K166-Y168 HydrophobicContact CG-CE1 3.87Å; K166-Y168 HydrophobicContact CG-CE2 4.19Å; Y168-N170 PolarHBondContact O-N 2.81Å; Y168-I171 PolarHBondContact N-O 2.73Å; Y168-I171 WeakPolarHBondContact O-CB 3.43Å; Y168-I171 PolarHBondContact O-N 3.47Å; Y168-V173 HydrophobicContact CD2-CB 4.1Å; Y168-V173 HydrophobicContact CD2-CG2 3.76Å; Y168-V173 HydrophobicContact CE2-CB 3.89Å; Y168-V173 HydrophobicContact CE2-CG2 4.01Å
169	G	91.5	Very high	94.7	Very high	49 Å²	49	63.9 Å²	63.9	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-125.9	-162.5	0	0	0	0	0	112.4	D127 I171	D127-G169 PolarHBondContact OD1-N 3.01Å; D127-G169 PolarHBondContact OD2-N 3.28Å; G169-I171 VanDerWaalsContact C-N 3.31Å
170	N	91.8	Very high	94.6	Very high	71 Å²	71	70.5 Å²	70.5	38%	0.38	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.7	177.1	64.8	-26.8	0	0	0	114.3	Y168	Y168-N170 PolarHBondContact O-N 2.81Å
171	I	95.2	Very high	94.5	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.1	-175.6	-61.3	164.8	0	0	0	109.6	W130 A134 S167 Y168 G169 V173 L192 Q194	W130-I171 HydrophobicContact CB-CD1 4.06Å; W130-I171 HydrophobicContact CB-CG2 4.48Å; W130-I171 WeakPolarHBondContact O-CD1 3.38Å; A134-I171 HydrophobicContact CB-CD1 3.54Å; A134-I171 HydrophobicContact CB-CG1 4.3Å; S167-I171 CarbonylContact C-O 3.59Å; S167-I171 WeakPolarHBondContact CA-O 3.47Å; Y168-I171 PolarHBondContact N-O 2.73Å; Y168-I171 WeakPolarHBondContact O-CB 3.43Å; Y168-I171 PolarHBondContact O-N 3.47Å; G169-I171 VanDerWaalsContact C-N 3.31Å; I171-V173 HydrophobicContact CG2-CG2 3.98Å; I171-L192 HydrophobicContact CG2-CD1 4Å; I171-L192 HydrophobicContact CG2-CD2 4.18Å; I171-L192 HydrophobicContact CG2-CG 3.68Å; I171-Q194 HydrophobicContact CG1-CB 4.33Å; I171-Q194 HydrophobicContact CG1-CG 4.25Å
172	K	97	Very high	94.4	Very high	128 Å²	128	75 Å²	75	56%	0.557	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.7	174.5	-65.7	178.6	-176.6	175.4	0	109.6	L192 R193	K172-L192 CarbonylContact O-C 3.52Å; K172-R193 HydrophobicContact CB-CB 4.39Å; K172-R193 PolarHBondContact N-O 3.35Å; K172-R193 PolarHBondContact O-N 2.99Å
173	V	98	Very high	94.5	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.8	178.9	-176.5	0	0	0	0	109.7	W130 P160 K165 K166 Y168 I171 M190 S191	W130-V173 HydrophobicContact CD2-CG2 3.7Å; W130-V173 HydrophobicContact CE3-CG2 3.74Å; W130-V173 HydrophobicContact CG-CG2 4.34Å; W130-V173 HydrophobicContact CH2-CB 4.46Å; W130-V173 HydrophobicContact CH2-CG1 3.67Å; W130-V173 HydrophobicContact CH2-CG2 3.96Å; W130-V173 HydrophobicContact CZ2-CB 4.32Å; W130-V173 HydrophobicContact CZ2-CG1 3.73Å; W130-V173 HydrophobicContact CZ2-CG2 3.91Å; W130-V173 HydrophobicContact CZ3-CG1 4.28Å; W130-V173 HydrophobicContact CZ3-CG2 3.87Å; P160-V173 HydrophobicContact CG-CG1 4.23Å; K165-V173 WeakPolarHBondContact CA-O 3.49Å; K166-V173 PolarHBondContact N-O 3.44Å; K166-V173 PolarHBondContact O-N 3.35Å; Y168-V173 HydrophobicContact CD2-CB 4.1Å; Y168-V173 HydrophobicContact CD2-CG2 3.76Å; Y168-V173 HydrophobicContact CE2-CB 3.89Å; Y168-V173 HydrophobicContact CE2-CG2 4.01Å; I171-V173 HydrophobicContact CG2-CG2 3.98Å; V173-M190 HydrophobicContact CG1-CB 4.13Å; V173-M190 HydrophobicContact CG1-CG 4.41Å; V173-M190 HydrophobicContact CG1-SD 4.22Å; V173-S191 CarbonylContact C-O 3.58Å; V173-S191 WeakPolarHBondContact CA-O 3.49Å
174	S	97.5	Very high	95.1	Very high	26 Å²	26	67 Å²	67	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.2	173.3	53.5	0	0	0	0	110.9	M190 S191	S174-M190 CarbonylContact O-C 3.51Å; S174-M190 WeakPolarHBondContact O-CA 3.26Å; S174-S191 PolarHBondContact N-O 2.79Å; S174-S191 PolarHBondContact O-N 3.25Å
175	L	97.6	Very high	95.3	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.1	174.4	-177.8	60.8	0	0	0	108.7	P160 I162 E177 E178 R188 M190	P160-L175 HydrophobicContact CG-CB 4.19Å; P160-L175 WeakPolarHBondContact O-CD2 3.48Å; I162-L175 HydrophobicContact CG1-CD2 3.64Å; I162-L175 HydrophobicContact CG1-CG 4.14Å; L175-E177 VanDerWaalsContact CD1-O 3.29Å; L175-E177 WeakPolarHBondContact CD1-O 3.23Å; L175-E178 HydrophobicContact CD2-CB 4.29Å; L175-R188 HydrophobicContact CD1-CB 3.77Å; L175-R188 HydrophobicContact CD1-CG 4.23Å; L175-M190 HydrophobicContact CD1-CG 3.98Å
176	V	96.1	Very high	95.5	Very high	79 Å²	79	56.1 Å²	56.1	48%	0.479	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-43	-178.3	-179.4	0	0	0	0	110.4	R189	V176-R189 WeakPolarHBondContact CA-O 3.46Å; V176-R189 WeakPolarHBondContact CB-O 3.45Å; V176-R189 PolarHBondContact N-O 2.71Å
177	E	96.3	Very high	95.6	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146.6	177.8	-175.2	-178.1	173.4	0	0	110.2	L175 S179 R188 R189	L175-E177 VanDerWaalsContact CD1-O 3.29Å; L175-E177 WeakPolarHBondContact CD1-O 3.23Å; E177-S179 VanDerWaalsContact CD-OG 3.26Å; E177-S179 WeakPolarHBondContact CG-OG 3.39Å; E177-S179 PolarHBondContact OE1-OG 3.28Å; E177-R188 CarbonylContact O-C 3.48Å; E177-R188 WeakPolarHBondContact O-CA 3.4Å; E177-R189 VanDerWaalsContact CB-NH2 3.26Å; E177-R189 PolarHBondContact N-O 3.47Å; E177-R189 PolarHBondContact O-N 3.09Å; E177-R189 IonicContact OE2-CZ 3.75Å; E177-R189 IonicContact OE2-NH1 2.79Å; E177-R189 PolarHBondContact OE2-NH1 3.25Å; E177-R189 IonicContact OE2-NH2 3.47Å; E177-R189 PolarHBondContact OE2-NH2 3.4Å
178	E	97.2	Very high	95.8	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.4	166.4	178.3	175	92.2	0	0	108.1	I162 L175 T186 R188	I162-E178 HydrophobicContact CD1-CB 4.17Å; L175-E178 HydrophobicContact CD2-CB 4.29Å; E178-T186 HydrophobicContact CG-CG2 3.65Å; E178-R188 HydrophobicContact CB-CG 4.35Å; E178-R188 HydrophobicContact CG-CG 4.07Å; E178-R188 IonicContact OE2-CZ 3.96Å; E178-R188 IonicContact OE2-NE 3.46Å; E178-R188 PolarHBondContact OE2-NE 3.14Å; E178-R188 IonicContact OE2-NH2 2.79Å; E178-R188 PolarHBondContact OE2-NH2 3.03Å
179	S	96.6	Very high	95.9	Very high	25 Å²	25	52.7 Å²	52.7	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.9	-177.4	-35.3	0	0	0	0	108.3	E177 L181 V187	E177-S179 VanDerWaalsContact CD-OG 3.26Å; E177-S179 WeakPolarHBondContact CG-OG 3.39Å; E177-S179 PolarHBondContact OE1-OG 3.28Å; S179-L181 PolarHBondContact O-N 2.83Å; S179-V187 PolarHBondContact N-O 2.74Å; S179-V187 PolarHBondContact O-N 3.2Å
180	K	95.9	Very high	96.3	Very high	152 Å²	152	50.4 Å²	50.4	66%	0.661	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	96.2	170.1	-174.7	173.8	-176.6	176.9	0	108.1	N182	K180-N182 WeakPolarHBondContact CE-O 3.49Å; K180-N182 WeakPolarHBondContact CG-O 3.35Å
181	L	94.4	Very high	96.5	Very high	93 Å²	93	47.7 Å²	47.7	49%	0.487	24%	0.235	S	C	.	.			trans	-72.3	-37.4	-171.9	-62.3	-176.1	0	0	0	111.7	S179 Y185 V187 L227	S179-L181 PolarHBondContact O-N 2.83Å; L181-Y185 HydrophobicContact CB-CD2 4.08Å; L181-Y185 HydrophobicContact CB-CE2 3.93Å; L181-Y185 HydrophobicContact CD1-CD2 4.09Å; L181-Y185 HydrophobicContact CD1-CE2 3.85Å; L181-Y185 HydrophobicContact CG-CE2 4.48Å; L181-Y185 PolarHBondContact N-O 3.3Å; L181-V187 HydrophobicContact CD1-CG2 3.64Å; L181-V187 HydrophobicContact CG-CG2 4.24Å; L181-L227 HydrophobicContact CD1-CD2 3.6Å
182	N	93.7	Very high	96.6	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	24%	0.235	S	C	.	.	S	Bend	trans	-157.7	-165.5	173.7	58.1	37.2	0	0	0	109.9	K180 H184 Y185	K180-N182 WeakPolarHBondContact CE-O 3.49Å; K180-N182 WeakPolarHBondContact CG-O 3.35Å; N182-H184 VanDerWaalsContact C-N 3.28Å; N182-H184 WeakPolarHBondContact OD1-CA 3.1Å; N182-H184 WeakPolarHBondContact OD1-CB 3.44Å; N182-H184 PolarHBondContact OD1-N 2.87Å; N182-Y185 WeakPolarHBondContact ND2-CE1 3.49Å; N182-Y185 PolarHBondContact ND2-OH 3.41Å; N182-Y185 PolarHBondContact OD1-N 3.33Å
183	I	94.2	Very high	96.6	Very high	101 Å²	101	46.8 Å²	46.8	52%	0.518	23%	0.229	S	C	.	.	S	Bend	trans	-70.6	-24.5	177.6	64.3	173.3	0	0	0	113.1
184	H	94.8	Very high	96.4	Very high	26 Å²	26	48.7 Å²	48.7	12%	0.12	24%	0.237	C	C	.	.	S	Bend	trans	-91.1	-23.8	-172.7	-51.6	-70.8	0	0	0	113.5	N182 F206 H207 Q208 E217 P220	N182-H184 VanDerWaalsContact C-N 3.28Å; N182-H184 WeakPolarHBondContact OD1-CA 3.1Å; N182-H184 WeakPolarHBondContact OD1-CB 3.44Å; N182-H184 PolarHBondContact OD1-N 2.87Å; H184-F206 HydrophobicContact CB-CE2 4.36Å; H184-F206 CarbonylContact O-C 3.57Å; H184-F206 WeakPolarHBondContact O-CA 3.22Å; H184-H207 WeakPolarHBondContact O-CB 3.32Å; H184-H207 PolarHBondContact O-N 2.96Å; H184-Q208 PolarHBondContact CE1-OE1 3.19Å; H184-Q208 PolarHBondContact ND1-OE1 3.24Å; H184-E217 IonicContact CE1-OE1 2.72Å; H184-P220 HydrophobicContact CB-CB 3.93Å; H184-P220 VanDerWaalsContact CD2-CG 3.5Å; H184-P220 WeakPolarHBondContact CD2-CG 3.23Å; H184-P220 WeakPolarHBondContact NE2-CG 3.32Å
185	Y	94.8	Very high	96	Very high	23 Å²	23	53.1 Å²	53.1	9%	0.09	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.2	177.5	45.3	-95.3	0	0	0	116.1	L181 N182 H205 F206 H207 F224 L227	L181-Y185 HydrophobicContact CB-CD2 4.08Å; L181-Y185 HydrophobicContact CB-CE2 3.93Å; L181-Y185 HydrophobicContact CD1-CD2 4.09Å; L181-Y185 HydrophobicContact CD1-CE2 3.85Å; L181-Y185 HydrophobicContact CG-CE2 4.48Å; L181-Y185 PolarHBondContact N-O 3.3Å; N182-Y185 WeakPolarHBondContact ND2-CE1 3.49Å; N182-Y185 PolarHBondContact ND2-OH 3.41Å; N182-Y185 PolarHBondContact OD1-N 3.33Å; Y185-H205 CarbonylContact C-O 3.52Å; Y185-H205 WeakPolarHBondContact CA-O 3.31Å; Y185-H205 WeakPolarHBondContact CB-O 3.37Å; Y185-F206 HydrophobicContact CD1-CD2 4.06Å; Y185-F206 HydrophobicContact CD1-CE2 4.14Å; Y185-H207 VanDerWaalsContact CA-CD2 3.48Å; Y185-H207 WeakPolarHBondContact CA-CD2 3.2Å; Y185-F224 HydrophobicContact CD1-CB 3.93Å; Y185-F224 AromaticContact CD1-CD2 3.7Å; Y185-F224 HydrophobicContact CD1-CD2 3.7Å; Y185-F224 HydrophobicContact CD1-CG 4.26Å; Y185-F224 HydrophobicContact CD2-CD2 4.16Å; Y185-F224 HydrophobicContact CE1-CB 3.96Å; Y185-F224 HydrophobicContact CE1-CD2 4.39Å; Y185-F224 AromaticContact CG-CD2 3.57Å; Y185-F224 HydrophobicContact CG-CD2 3.57Å; Y185-F224 HydrophobicContact CG-CE2 4.23Å; Y185-L227 HydrophobicContact CD2-CD2 4.18Å; Y185-L227 HydrophobicContact CE2-CD2 3.75Å
186	T	97.9	Very high	95.5	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.5	173.3	-62.2	0	0	0	0	110.1	E178 R188 H205 H207	E178-T186 HydrophobicContact CG-CG2 3.65Å; T186-R188 HydrophobicContact CG2-CG 4.22Å; T186-H205 PolarHBondContact N-O 3.3Å; T186-H205 PolarHBondContact O-N 3.5Å; T186-H207 WeakPolarHBondContact CB-NE2 3.37Å; T186-H207 PolarHBondContact N-NE2 3.29Å; T186-H207 PolarHBondContact OG1-NE2 3.32Å
187	V	98.3	Very high	95.5	Very high	20 Å²	20	59.4 Å²	59.4	12%	0.121	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.5	173.2	-178	0	0	0	0	109.7	S179 L181 Q203 F204 L227	S179-V187 PolarHBondContact N-O 2.74Å; S179-V187 PolarHBondContact O-N 3.2Å; L181-V187 HydrophobicContact CD1-CG2 3.64Å; L181-V187 HydrophobicContact CG-CG2 4.24Å; V187-Q203 CarbonylContact C-O 3.55Å; V187-Q203 WeakPolarHBondContact CA-O 3.48Å; V187-F204 HydrophobicContact CG1-CD1 4.38Å; V187-F204 HydrophobicContact CG1-CE1 4.09Å; V187-F204 HydrophobicContact CG1-CZ 4.36Å; V187-F204 HydrophobicContact CG2-CD1 3.72Å; V187-F204 HydrophobicContact CG2-CE1 3.88Å; V187-L227 HydrophobicContact CG2-CD2 4.09Å
188	R	98.3	Very high	95.5	Very high	18 Å²	18	62.7 Å²	62.7	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.4	177.1	-60.7	-171.1	-176.7	85	6	110	L175 E177 E178 T186 K202 Q203 H205	L175-R188 HydrophobicContact CD1-CB 3.77Å; L175-R188 HydrophobicContact CD1-CG 4.23Å; E177-R188 CarbonylContact O-C 3.48Å; E177-R188 WeakPolarHBondContact O-CA 3.4Å; E178-R188 HydrophobicContact CB-CG 4.35Å; E178-R188 HydrophobicContact CG-CG 4.07Å; E178-R188 IonicContact OE2-CZ 3.96Å; E178-R188 IonicContact OE2-NE 3.46Å; E178-R188 PolarHBondContact OE2-NE 3.14Å; E178-R188 IonicContact OE2-NH2 2.79Å; E178-R188 PolarHBondContact OE2-NH2 3.03Å; T186-R188 HydrophobicContact CG2-CG 4.22Å; R188-K202 CarbonylContact O-C 3.57Å; R188-K202 VanDerWaalsContact O-CA 3.27Å; R188-K202 WeakPolarHBondContact O-CA 3.42Å; R188-Q203 HydrophobicContact CB-CB 4.32Å; R188-Q203 PolarHBondContact N-O 3.18Å; R188-Q203 PolarHBondContact O-N 3.15Å; R188-H205 PolarHBondContact NH1-ND1 3.36Å
189	R	97.8	Very high	95.5	Very high	58 Å²	58	60.4 Å²	60.4	22%	0.219	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.1	171.7	-174.4	171.9	62.6	-90.4	3.6	109.6	V176 E177 E200 K202	V176-R189 WeakPolarHBondContact CA-O 3.46Å; V176-R189 WeakPolarHBondContact CB-O 3.45Å; V176-R189 PolarHBondContact N-O 2.71Å; E177-R189 VanDerWaalsContact CB-NH2 3.26Å; E177-R189 PolarHBondContact N-O 3.47Å; E177-R189 PolarHBondContact O-N 3.09Å; E177-R189 IonicContact OE2-CZ 3.75Å; E177-R189 IonicContact OE2-NH1 2.79Å; E177-R189 PolarHBondContact OE2-NH1 3.25Å; E177-R189 IonicContact OE2-NH2 3.47Å; E177-R189 PolarHBondContact OE2-NH2 3.4Å; R189-E200 VanDerWaalsContact CD-OE1 3.27Å; R189-E200 WeakPolarHBondContact CD-OE1 3.37Å; R189-E200 WeakPolarHBondContact CD-OE2 3.44Å; R189-E200 HydrophobicContact CG-CG 3.81Å; R189-K202 HydrophobicContact CB-CG 4.4Å; R189-K202 HydrophobicContact CG-CG 4.28Å
190	M	98.2	Very high	95.5	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.1	-177.3	-65.6	171.8	-74.7	0	0	110.4	W130 I141 W159 V173 S174 L175 E200 V201 Q203	W130-M190 HydrophobicContact CH2-CE 4.03Å; W130-M190 HydrophobicContact CH2-SD 3.77Å; W130-M190 HydrophobicContact CZ2-SD 4.07Å; I141-M190 HydrophobicContact CD1-CE 4.44Å; W159-M190 HydrophobicContact CB-SD 3.64Å; V173-M190 HydrophobicContact CG1-CB 4.13Å; V173-M190 HydrophobicContact CG1-CG 4.41Å; V173-M190 HydrophobicContact CG1-SD 4.22Å; S174-M190 CarbonylContact O-C 3.51Å; S174-M190 WeakPolarHBondContact O-CA 3.26Å; L175-M190 HydrophobicContact CD1-CG 3.98Å; M190-E200 WeakPolarHBondContact O-CA 3.36Å; M190-V201 PolarHBondContact N-O 2.99Å; M190-V201 PolarHBondContact O-N 3.31Å; M190-Q203 HydrophobicContact CE-CB 3.58Å
191	S	97.3	Very high	95.6	Very high	14 Å²	14	56.6 Å²	56.6	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.6	166	-179.5	0	0	0	0	109.2	V173 S174 K198	V173-S191 CarbonylContact C-O 3.58Å; V173-S191 WeakPolarHBondContact CA-O 3.49Å; S174-S191 PolarHBondContact N-O 2.79Å; S174-S191 PolarHBondContact O-N 3.25Å; S191-K198 WeakPolarHBondContact OG-CE 3.38Å; S191-K198 WeakPolarHBondContact OG-CG 3.38Å
192	L	97.5	Very high	95.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.3	172.5	-178.4	153.3	0	0	0	108.8	W130 I133 A134 I171 K172 Q194 K198 R199 V201	W130-L192 HydrophobicContact CE3-CD1 3.76Å; W130-L192 HydrophobicContact CZ3-CD1 3.9Å; I133-L192 HydrophobicContact CB-CD1 4.48Å; I133-L192 HydrophobicContact CG2-CD1 3.81Å; A134-L192 HydrophobicContact CB-CD1 4.23Å; A134-L192 HydrophobicContact CB-CD2 4.28Å; I171-L192 HydrophobicContact CG2-CD1 4Å; I171-L192 HydrophobicContact CG2-CD2 4.18Å; I171-L192 HydrophobicContact CG2-CG 3.68Å; K172-L192 CarbonylContact O-C 3.52Å; L192-Q194 HydrophobicContact CD2-CB 4.37Å; L192-K198 CarbonylContact O-C 3.6Å; L192-K198 WeakPolarHBondContact O-CA 3.4Å; L192-R199 PolarHBondContact N-O 3.25Å; L192-R199 PolarHBondContact O-N 3.49Å; L192-V201 HydrophobicContact CB-CG2 4.13Å; L192-V201 HydrophobicContact CD1-CG2 4.25Å
193	R	96.7	Very high	96.1	Very high	109 Å²	109	52.1 Å²	52.1	41%	0.411	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.8	170.8	-176.1	179.5	-120.5	-96.8	4.9	109.9	K172 D195 E197	K172-R193 HydrophobicContact CB-CB 4.39Å; K172-R193 PolarHBondContact N-O 3.35Å; K172-R193 PolarHBondContact O-N 2.99Å; R193-D195 PolarHBondContact NH1-O 2.96Å; R193-E197 VanDerWaalsContact CA-O 3.32Å; R193-E197 WeakPolarHBondContact CA-O 3.48Å
194	Q	93.5	Very high	96.3	Very high	41 Å²	41	47.5 Å²	47.5	19%	0.192	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.2	170.8	-175.1	177.1	36.5	0	0	106.9	I171 L192 N196 E197	I171-Q194 HydrophobicContact CG1-CB 4.33Å; I171-Q194 HydrophobicContact CG1-CG 4.25Å; L192-Q194 HydrophobicContact CD2-CB 4.37Å; Q194-N196 PolarHBondContact O-N 2.93Å; Q194-N196 VanDerWaalsContact O-N 3.12Å; Q194-E197 PolarHBondContact N-O 2.96Å; Q194-E197 PolarHBondContact O-N 3.49Å
195	D	88.1	Confident	96.4	Very high	119 Å²	119	46.5 Å²	46.5	64%	0.636	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	-116.5	-171.8	-50.6	-43	0	0	0	111.6	R193	R193-D195 PolarHBondContact NH1-O 2.96Å
196	N	88.9	Confident	96.6	Very high	147 Å²	147	45.5 Å²	45.5	79%	0.786	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.9	177.7	-69.9	-35.4	0	0	0	114	Q194	Q194-N196 PolarHBondContact O-N 2.93Å; Q194-N196 VanDerWaalsContact O-N 3.12Å
197	E	94.5	Very high	96.5	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.9	177.6	-167.8	-176.6	-176.5	0	0	110.3	R137 R193 Q194 R199	R137-E197 IonicContact CZ-OE1 2.84Å; R137-E197 VanDerWaalsContact CZ-OE1 3.31Å; R137-E197 IonicContact NH1-OE1 3.83Å; R137-E197 PolarHBondContact NH1-OE1 3.39Å; R137-E197 IonicContact NH1-OE2 3.38Å; R137-E197 PolarHBondContact NH1-OE2 2.87Å; R137-E197 IonicContact NH2-OE1 3.97Å; R137-E197 PolarHBondContact NH2-OE1 2.89Å; R193-E197 VanDerWaalsContact CA-O 3.32Å; R193-E197 WeakPolarHBondContact CA-O 3.48Å; Q194-E197 PolarHBondContact N-O 2.96Å; Q194-E197 PolarHBondContact O-N 3.49Å; E197-R199 HydrophobicContact CG-CG 4.21Å; E197-R199 VanDerWaalsContact OE1-CD 3.3Å; E197-R199 WeakPolarHBondContact OE1-CD 3.4Å; E197-R199 IonicContact OE1-NE 3.74Å; E197-R199 IonicContact OE2-CZ 2.57Å; E197-R199 IonicContact OE2-NE 3.31Å; E197-R199 IonicContact OE2-NH2 3.51Å
198	K	96.4	Very high	96	Very high	151 Å²	151	50 Å²	50	66%	0.657	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.5	170.8	-174.3	-173.1	179.5	-170.7	0	108.8	S191 L192	S191-K198 WeakPolarHBondContact OG-CE 3.38Å; S191-K198 WeakPolarHBondContact OG-CG 3.38Å; L192-K198 CarbonylContact O-C 3.6Å; L192-K198 WeakPolarHBondContact O-CA 3.4Å
199	R	97	Very high	95.5	Very high	37 Å²	37	49.4 Å²	49.4	14%	0.14	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	159.2	175.2	-72.2	177.7	-74.2	178.9	-2.5	110.7	A134 R137 L192 E197	A134-R199 VanDerWaalsContact CA-NH2 3.35Å; A134-R199 VanDerWaalsContact O-CZ 3.31Å; A134-R199 PolarHBondContact O-NH1 3.45Å; A134-R199 PolarHBondContact O-NH2 3.5Å; R137-R199 VanDerWaalsContact CG-NH1 3.35Å; L192-R199 PolarHBondContact N-O 3.25Å; L192-R199 PolarHBondContact O-N 3.49Å; E197-R199 HydrophobicContact CG-CG 4.21Å; E197-R199 VanDerWaalsContact OE1-CD 3.3Å; E197-R199 WeakPolarHBondContact OE1-CD 3.4Å; E197-R199 IonicContact OE1-NE 3.74Å; E197-R199 IonicContact OE2-CZ 2.57Å; E197-R199 IonicContact OE2-NE 3.31Å; E197-R199 IonicContact OE2-NH2 3.51Å
200	E	97.5	Very high	94.8	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.453	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.2	170.2	-177.7	171.4	123.8	0	0	109.3	R189 M190 K202	R189-E200 VanDerWaalsContact CD-OE1 3.27Å; R189-E200 WeakPolarHBondContact CD-OE1 3.37Å; R189-E200 WeakPolarHBondContact CD-OE2 3.44Å; R189-E200 HydrophobicContact CG-CG 3.81Å; M190-E200 WeakPolarHBondContact O-CA 3.36Å; E200-K202 VanDerWaalsContact OE1-CE 3.25Å; E200-K202 WeakPolarHBondContact OE1-CE 3.05Å
201	V	98.3	Very high	93.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129	172.1	-175	0	0	0	0	107.7	I133 V138 K139 I141 M190 L192	I133-V201 HydrophobicContact CG2-CG1 4.29Å; I133-V201 HydrophobicContact CG2-CG2 4.01Å; V138-V201 WeakPolarHBondContact O-CG2 3.49Å; K139-V201 CarbonylContact O-C 3.59Å; K139-V201 WeakPolarHBondContact O-CA 3.32Å; I141-V201 HydrophobicContact CD1-CG1 3.64Å; I141-V201 HydrophobicContact CG1-CG1 3.85Å; M190-V201 PolarHBondContact N-O 2.99Å; M190-V201 PolarHBondContact O-N 3.31Å; L192-V201 HydrophobicContact CB-CG2 4.13Å; L192-V201 HydrophobicContact CD1-CG2 4.25Å
202	K	98.5	Very high	92.3	Very high	52 Å²	52	54.5 Å²	54.5	23%	0.226	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.8	171.2	-66.9	-166.6	-171.6	173.3	0	110.6	K139 T140 I141 R188 R189 E200 F204	K139-K202 PolarHBondContact O-N 3.37Å; T140-K202 CarbonylContact C-O 3.6Å; T140-K202 WeakPolarHBondContact CA-O 3.45Å; I141-K202 PolarHBondContact N-O 2.94Å; R188-K202 CarbonylContact O-C 3.57Å; R188-K202 VanDerWaalsContact O-CA 3.27Å; R188-K202 WeakPolarHBondContact O-CA 3.42Å; R189-K202 HydrophobicContact CB-CG 4.4Å; R189-K202 HydrophobicContact CG-CG 4.28Å; E200-K202 VanDerWaalsContact OE1-CE 3.25Å; E200-K202 WeakPolarHBondContact OE1-CE 3.05Å; K202-F204 HydrophobicContact CB-CD2 4.47Å; K202-F204 HydrophobicContact CB-CE2 3.78Å; K202-F204 HydrophobicContact CB-CZ 4.38Å; K202-F204 HydrophobicContact CD-CZ 4.46Å
203	Q	98.8	Very high	91.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	170.2	-179.3	-145.9	48	0	0	109	I141 M143 Y158 V187 R188 M190	I141-Q203 HydrophobicContact CB-CB 4.2Å; I141-Q203 HydrophobicContact CB-CG 4.22Å; I141-Q203 HydrophobicContact CG2-CG 4.12Å; I141-Q203 CarbonylContact O-C 3.59Å; I141-Q203 VanDerWaalsContact O-CA 3.25Å; I141-Q203 WeakPolarHBondContact O-CA 3.37Å; M143-Q203 HydrophobicContact CB-CG 4.42Å; M143-Q203 PolarHBondContact SD-NE2 3.46Å; M143-Q203 VanDerWaalsContact SD-NE2 3.45Å; Y158-Q203 VanDerWaalsContact CZ-NE2 3.27Å; Y158-Q203 PolarHBondContact OH-NE2 2.89Å; V187-Q203 CarbonylContact C-O 3.55Å; V187-Q203 WeakPolarHBondContact CA-O 3.48Å; R188-Q203 HydrophobicContact CB-CB 4.32Å; R188-Q203 PolarHBondContact N-O 3.18Å; R188-Q203 PolarHBondContact O-N 3.15Å; M190-Q203 HydrophobicContact CE-CB 3.58Å
204	F	98.8	Very high	91.3	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.3	172.6	-65.1	-98.4	0	0	0	107.3	T140 I141 I142 M143 V187 K202 F224 L227 V228 H231	T140-F204 HydrophobicContact CG2-CD2 3.63Å; T140-F204 HydrophobicContact CG2-CE2 3.7Å; I141-F204 PolarHBondContact O-N 3.42Å; I142-F204 WeakPolarHBondContact CA-O 3.39Å; M143-F204 PolarHBondContact N-O 3.19Å; V187-F204 HydrophobicContact CG1-CD1 4.38Å; V187-F204 HydrophobicContact CG1-CE1 4.09Å; V187-F204 HydrophobicContact CG1-CZ 4.36Å; V187-F204 HydrophobicContact CG2-CD1 3.72Å; V187-F204 HydrophobicContact CG2-CE1 3.88Å; K202-F204 HydrophobicContact CB-CD2 4.47Å; K202-F204 HydrophobicContact CB-CE2 3.78Å; K202-F204 HydrophobicContact CB-CZ 4.38Å; K202-F204 HydrophobicContact CD-CZ 4.46Å; F204-F224 HydrophobicContact CB-CE2 3.57Å; F204-F224 HydrophobicContact CB-CZ 3.49Å; F204-F224 VanDerWaalsContact CB-CZ 3.49Å; F204-L227 HydrophobicContact CD1-CD2 4.21Å; F204-L227 HydrophobicContact CD1-CG 4.39Å; F204-L227 HydrophobicContact CE1-CD2 4.07Å; F204-L227 HydrophobicContact CE1-CG 3.9Å; F204-V228 HydrophobicContact CB-CG2 3.94Å; F204-V228 HydrophobicContact CD1-CG2 3.84Å; F204-V228 HydrophobicContact CD2-CG2 4.12Å; F204-V228 HydrophobicContact CE1-CG2 4.4Å; F204-V228 HydrophobicContact CG-CG2 3.69Å; F204-H231 HydrophobicContact CE2-CB 4.27Å; F204-H231 AromaticContact CE2-CD2 3.61Å; F204-H231 HydrophobicContact CZ-CB 3.7Å; F204-H231 AromaticContact CZ-CD2 3.84Å; F204-H231 AromaticContact CZ-CG 3.9Å
205	H	98.5	Very high	91	Very high	4 Å²	4	52 Å²	52	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107	-177.1	-176.1	-177.5	0	0	0	108.8	M143 C145 E146 Y185 T186 R188 H207	M143-H205 HydrophobicContact CB-CB 4.33Å; M143-H205 CarbonylContact O-C 3.57Å; M143-H205 WeakPolarHBondContact O-CA 3.5Å; C145-H205 PolarHBondContact O-NE2 3.49Å; E146-H205 IonicContact OE1-NE2 3.86Å; E146-H205 IonicContact OE2-CE1 2.74Å; E146-H205 PolarHBondContact OE2-CE1 2.9Å; E146-H205 IonicContact OE2-NE2 2.66Å; Y185-H205 CarbonylContact C-O 3.52Å; Y185-H205 WeakPolarHBondContact CA-O 3.31Å; Y185-H205 WeakPolarHBondContact CB-O 3.37Å; T186-H205 PolarHBondContact N-O 3.3Å; T186-H205 PolarHBondContact O-N 3.5Å; R188-H205 PolarHBondContact NH1-ND1 3.36Å; H205-H207 AromaticContact CD2-CE1 3.8Å; H205-H207 AromaticContact CD2-ND1 3.83Å; H205-H207 AromaticContact CE1-CE1 3.4Å; H205-H207 PolarHBondContact CE1-CE1 2.91Å; H205-H207 AromaticContact CE1-ND1 3.69Å; H205-H207 AromaticContact CG-CE1 3.61Å; H205-H207 AromaticContact ND1-CE1 3.39Å; H205-H207 PolarHBondContact ND1-CE1 3.48Å; H205-H207 AromaticContact NE2-CE1 3.65Å; H205-H207 AromaticContact NE2-ND1 3.54Å
206	F	97.9	Very high	91	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.3	173.5	-163.4	-90.9	0	0	0	110	M143 L144 H184 Y185 W209 P215 P220 L221 F224	M143-F206 PolarHBondContact O-N 2.68Å; L144-F206 HydrophobicContact CD2-CB 3.88Å; H184-F206 HydrophobicContact CB-CE2 4.36Å; H184-F206 CarbonylContact O-C 3.57Å; H184-F206 WeakPolarHBondContact O-CA 3.22Å; Y185-F206 HydrophobicContact CD1-CD2 4.06Å; Y185-F206 HydrophobicContact CD1-CE2 4.14Å; F206-W209 HydrophobicContact CD1-CB 4.04Å; F206-W209 AromaticContact CD1-CE3 3.93Å; F206-W209 HydrophobicContact CD1-CE3 3.93Å; F206-W209 HydrophobicContact CE1-CB 4.2Å; F206-W209 HydrophobicContact CE1-CE3 4.11Å; F206-P215 HydrophobicContact CE1-CB 4.27Å; F206-P215 HydrophobicContact CE1-CG 3.99Å; F206-P215 HydrophobicContact CZ-CG 4.49Å; F206-P220 HydrophobicContact CE2-CB 4.42Å; F206-P220 HydrophobicContact CZ-CB 4.41Å; F206-L221 HydrophobicContact CE2-CB 4.35Å; F206-L221 HydrophobicContact CE2-CD1 4.46Å; F206-L221 HydrophobicContact CZ-CB 4.12Å; F206-F224 HydrophobicContact CB-CD1 4.43Å; F206-F224 HydrophobicContact CB-CD2 4.4Å; F206-F224 HydrophobicContact CB-CE1 4.08Å; F206-F224 HydrophobicContact CB-CE2 3.99Å; F206-F224 HydrophobicContact CB-CZ 3.83Å; F206-F224 HydrophobicContact CD2-CB 3.75Å; F206-F224 AromaticContact CD2-CD1 3.85Å; F206-F224 HydrophobicContact CD2-CD1 3.85Å; F206-F224 AromaticContact CD2-CD2 3.75Å; F206-F224 HydrophobicContact CD2-CD2 3.75Å; F206-F224 HydrophobicContact CD2-CE1 4.35Å; F206-F224 HydrophobicContact CD2-CE2 4.2Å; F206-F224 AromaticContact CD2-CG 3.52Å; F206-F224 HydrophobicContact CD2-CG 3.52Å; F206-F224 HydrophobicContact CD2-CZ 4.49Å; F206-F224 HydrophobicContact CE2-CB 3.89Å; F206-F224 HydrophobicContact CE2-CG 4.19Å; F206-F224 HydrophobicContact CG-CD1 4.49Å; F206-F224 HydrophobicContact CG-CG 4.48Å
207	H	95.4	Very high	91.1	Very high	24 Å²	24	53.6 Å²	53.6	11%	0.111	26%	0.26	C	S	.	.			trans	-94.9	169.5	177.7	-55.9	-59.1	0	0	0	110.4	E146 H184 Y185 T186 H205 W209	E146-H207 WeakPolarHBondContact OE1-CA 3.16Å; E146-H207 WeakPolarHBondContact OE1-CB 3.37Å; E146-H207 IonicContact OE1-CE1 3.21Å; E146-H207 IonicContact OE1-CG 2.73Å; E146-H207 IonicContact OE1-ND1 3.65Å; E146-H207 PolarHBondContact OE1-ND1 2.97Å; E146-H207 IonicContact OE2-ND1 3.66Å; H184-H207 WeakPolarHBondContact O-CB 3.32Å; H184-H207 PolarHBondContact O-N 2.96Å; Y185-H207 VanDerWaalsContact CA-CD2 3.48Å; Y185-H207 WeakPolarHBondContact CA-CD2 3.2Å; T186-H207 WeakPolarHBondContact CB-NE2 3.37Å; T186-H207 PolarHBondContact N-NE2 3.29Å; T186-H207 PolarHBondContact OG1-NE2 3.32Å; H205-H207 AromaticContact CD2-CE1 3.8Å; H205-H207 AromaticContact CD2-ND1 3.83Å; H205-H207 AromaticContact CE1-CE1 3.4Å; H205-H207 PolarHBondContact CE1-CE1 2.91Å; H205-H207 AromaticContact CE1-ND1 3.69Å; H205-H207 AromaticContact CG-CE1 3.61Å; H205-H207 AromaticContact ND1-CE1 3.39Å; H205-H207 PolarHBondContact ND1-CE1 3.48Å; H205-H207 AromaticContact NE2-CE1 3.65Å; H205-H207 AromaticContact NE2-ND1 3.54Å; H207-W209 VanDerWaalsContact C-N 3.28Å; H207-W209 PolarHBondContact O-N 2.75Å
208	Q	87.7	Confident	91.2	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	25%	0.25	S	S	.	.	S	Bend	trans	58.9	34.7	173.5	-55.5	177.4	-43.4	0	0	114.4	H184	H184-Q208 PolarHBondContact CE1-OE1 3.19Å; H184-Q208 PolarHBondContact ND1-OE1 3.24Å
209	W	89.1	Confident	91.1	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.023	23%	0.227	C	C	.	.			trans	-117.8	88.3	167	-164.5	-19	0	0	0	109.2	L144 F206 H207 S213 P215 L221 R250 T253 L298	L144-W209 HydrophobicContact CD2-CE3 4.38Å; L144-W209 HydrophobicContact CD2-CZ3 4.31Å; F206-W209 HydrophobicContact CD1-CB 4.04Å; F206-W209 AromaticContact CD1-CE3 3.93Å; F206-W209 HydrophobicContact CD1-CE3 3.93Å; F206-W209 HydrophobicContact CE1-CB 4.2Å; F206-W209 HydrophobicContact CE1-CE3 4.11Å; H207-W209 VanDerWaalsContact C-N 3.28Å; H207-W209 PolarHBondContact O-N 2.75Å; W209-S213 PolarHBondContact NE1-O 2.82Å; W209-P215 HydrophobicContact CB-CG 4.2Å; W209-P215 HydrophobicContact CD2-CG 3.61Å; W209-P215 HydrophobicContact CE3-CG 3.94Å; W209-P215 HydrophobicContact CG-CG 3.75Å; W209-L221 HydrophobicContact CE3-CD1 4.33Å; W209-L221 HydrophobicContact CH2-CD1 4.25Å; W209-L221 HydrophobicContact CH2-CD2 3.91Å; W209-L221 HydrophobicContact CZ3-CD1 3.56Å; W209-L221 HydrophobicContact CZ3-CD2 3.98Å; W209-L221 HydrophobicContact CZ3-CG 4.43Å; W209-R250 HydrophobicContact CD2-CB 4.33Å; W209-R250 HydrophobicContact CD2-CG 4Å; W209-R250 HydrophobicContact CG-CG 4.06Å; W209-R250 HydrophobicContact CZ2-CB 4.35Å; W209-R250 HydrophobicContact CZ2-CG 4.29Å; W209-R250 PolarHBondContact O-NH1 3.42Å; W209-T253 HydrophobicContact CH2-CG2 3.78Å; W209-T253 HydrophobicContact CZ2-CG2 3.81Å; W209-L298 HydrophobicContact CH2-CD2 4.18Å; W209-L298 HydrophobicContact CZ2-CD2 3.5Å
210	P	82.9	Confident	91.1	Very high	63 Å²	63	43.7 Å²	43.7	41%	0.409	22%	0.224	S	C	.	.			trans	-60.9	151	-176.8	-18.5	30.4	0	0	0	112	S213	P210-S213 PolarHBondContact O-N 3.46Å
211	D	74.6	Confident	91.1	Very high	26 Å²	26	39 Å²	39	14%	0.139	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	142.5	179.7	-148.6	16.4	0	0	0	111.5	E149 K154 S213 R250	E149-D211 WeakPolarHBondContact OE2-CB 3.46Å; K154-D211 WeakPolarHBondContact CE-OD2 3.43Å; K154-D211 IonicContact NZ-OD2 3.44Å; K154-D211 PolarHBondContact NZ-OD2 3.32Å; D211-S213 PolarHBondContact O-N 3.45Å; D211-R250 IonicContact OD1-CZ 3.72Å; D211-R250 IonicContact OD1-NE 3.48Å; D211-R250 PolarHBondContact OD1-NE 2.83Å; D211-R250 IonicContact OD1-NH2 2.79Å; D211-R250 PolarHBondContact OD1-NH2 2.95Å; D211-R250 IonicContact OD2-NH2 2.67Å
212	H	67.8	Low	91	Very high	91 Å²	91	39 Å²	39	42%	0.421	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	4.6	-176.2	-59.2	-71.9	0	0	0	116.3	Q291 T292	H212-Q291 PolarHBondContact CE1-OE1 2.99Å; H212-T292 HydrophobicContact CB-CG2 3.9Å; H212-T292 WeakPolarHBondContact O-CG2 3.22Å; H212-T292 PolarHBondContact O-OG1 3.22Å
213	S	86.7	Confident	91	Very high	49 Å²	49	40 Å²	40	34%	0.343	21%	0.21	S	C	.	.	S	Bend	trans	-116.7	-165.6	179.1	-163.4	0	0	0	0	111.2	W209 P210 D211	W209-S213 PolarHBondContact NE1-O 2.82Å; P210-S213 PolarHBondContact O-N 3.46Å; D211-S213 PolarHBondContact O-N 3.45Å
214	T	86.2	Confident	90.9	Very high	41 Å²	41	40 Å²	40	25%	0.252	21%	0.21	S	C	.	.			trans	-120	157	179.8	63.5	0	0	0	0	110	E294 L298	T214-E294 HydrophobicContact CG2-CB 4.03Å; T214-E294 VanDerWaalsContact CG2-O 3.27Å; T214-E294 WeakPolarHBondContact CG2-O 3.48Å; T214-L298 HydrophobicContact CG2-CB 3.61Å; T214-L298 HydrophobicContact CG2-CD2 3.87Å; T214-L298 HydrophobicContact CG2-CG 4.21Å
215	P	88.1	Confident	90.9	Very high	8 Å²	8	39.8 Å²	39.8	5%	0.052	21%	0.209	C	C	.	.			trans	-59.3	153.4	161.9	-16.3	32.6	0	0	0	109.7	F206 W209 E217 L298	F206-P215 HydrophobicContact CE1-CB 4.27Å; F206-P215 HydrophobicContact CE1-CG 3.99Å; F206-P215 HydrophobicContact CZ-CG 4.49Å; W209-P215 HydrophobicContact CB-CG 4.2Å; W209-P215 HydrophobicContact CD2-CG 3.61Å; W209-P215 HydrophobicContact CE3-CG 3.94Å; W209-P215 HydrophobicContact CG-CG 3.75Å; P215-E217 VanDerWaalsContact C-N 3.28Å; P215-L298 VanDerWaalsContact CD-CD2 3.41Å; P215-L298 HydrophobicContact CG-CD2 4.44Å
216	E	87.6	Confident	90.8	Very high	193 Å²	193	41.8 Å²	41.8	90%	0.902	22%	0.218	S	C	*	.	S	Bend	trans	-67.5	-32.7	174.6	-65.8	-179	179	0	0	111.6
217	E	91.4	Very high	90.8	Very high	106 Å²	106	43.8 Å²	43.8	50%	0.495	23%	0.228	S	C	.	.			trans	-124.4	131	-176.2	-62	-179.7	-101.2	0	0	111.6	H184 P215 P220	H184-E217 IonicContact CE1-OE1 2.72Å; P215-E217 VanDerWaalsContact C-N 3.28Å; E217-P220 HydrophobicContact CB-CG 3.99Å
218	I	95.2	Very high	90.9	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.128	22%	0.223	C	C	.	.	H	α-helix	trans	-76	-34.4	176.3	-67.3	170.3	0	0	0	111.4	L221 L222 L298 Q301 M305	I218-L221 WeakPolarHBondContact O-CB 3.38Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-L222 HydrophobicContact CG2-CD1 4.09Å; I218-L222 HydrophobicContact CG2-CD2 4.4Å; I218-L222 HydrophobicContact CG2-CG 3.98Å; I218-L222 PolarHBondContact O-N 3.36Å; I218-L222 VanDerWaalsContact O-N 3.12Å; I218-L298 HydrophobicContact CD1-CD1 4.33Å; I218-L298 HydrophobicContact CG1-CD1 3.77Å; I218-Q301 HydrophobicContact CD1-CB 3.46Å; I218-Q301 VanDerWaalsContact CD1-CB 3.46Å; I218-M305 HydrophobicContact CB-CE 4.38Å; I218-M305 HydrophobicContact CB-SD 3.69Å; I218-M305 HydrophobicContact CD1-SD 3.8Å; I218-M305 HydrophobicContact CG1-SD 4.34Å; I218-M305 HydrophobicContact CG2-CB 4.31Å; I218-M305 HydrophobicContact CG2-CE 4.26Å; I218-M305 HydrophobicContact CG2-CG 4.45Å; I218-M305 HydrophobicContact CG2-SD 3.53Å; I218-M305 VanDerWaalsContact CG2-SD 3.53Å
219	G	96.2	Very high	91.3	Very high	15 Å²	15	38.9 Å²	38.9	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-51.4	-53.8	-176.4	0	0	0	0	0	113.6	L221 L222 D223	G219-L221 VanDerWaalsContact C-N 3.28Å; G219-L221 PolarHBondContact O-N 3.2Å; G219-L222 PolarHBondContact O-N 2.98Å; G219-L222 VanDerWaalsContact O-N 3.11Å; G219-D223 VanDerWaalsContact O-CG 3.28Å; G219-D223 PolarHBondContact O-N 3.11Å
220	P	96.2	Very high	91.7	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.078	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-33.6	176.9	-27.5	35.9	0	0	0	114.6	H184 F206 E217 D223 F224	H184-P220 HydrophobicContact CB-CB 3.93Å; H184-P220 VanDerWaalsContact CD2-CG 3.5Å; H184-P220 WeakPolarHBondContact CD2-CG 3.23Å; H184-P220 WeakPolarHBondContact NE2-CG 3.32Å; F206-P220 HydrophobicContact CE2-CB 4.42Å; F206-P220 HydrophobicContact CZ-CB 4.41Å; E217-P220 HydrophobicContact CB-CG 3.99Å; P220-D223 PolarHBondContact O-N 2.95Å; P220-F224 WeakPolarHBondContact O-CB 3.31Å; P220-F224 PolarHBondContact O-N 3.44Å
221	L	96.7	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-41.4	175.8	175.8	60.1	0	0	0	111.5	F206 W209 I218 G219 F224 L225 F254 L257	F206-L221 HydrophobicContact CE2-CB 4.35Å; F206-L221 HydrophobicContact CE2-CD1 4.46Å; F206-L221 HydrophobicContact CZ-CB 4.12Å; W209-L221 HydrophobicContact CE3-CD1 4.33Å; W209-L221 HydrophobicContact CH2-CD1 4.25Å; W209-L221 HydrophobicContact CH2-CD2 3.91Å; W209-L221 HydrophobicContact CZ3-CD1 3.56Å; W209-L221 HydrophobicContact CZ3-CD2 3.98Å; W209-L221 HydrophobicContact CZ3-CG 4.43Å; I218-L221 WeakPolarHBondContact O-CB 3.38Å; I218-L221 PolarHBondContact O-N 3.47Å; G219-L221 VanDerWaalsContact C-N 3.28Å; G219-L221 PolarHBondContact O-N 3.2Å; L221-F224 PolarHBondContact O-N 3.12Å; L221-L225 WeakPolarHBondContact O-CB 3.37Å; L221-L225 PolarHBondContact O-N 2.85Å; L221-F254 HydrophobicContact CD1-CD2 4.29Å; L221-L257 HydrophobicContact CD2-CD2 4.04Å; L221-L257 HydrophobicContact CG-CD2 4.01Å
222	L	97.6	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-42	175.8	-60	-173.2	0	0	0	111.5	I218 G219 F224 L225 E226 L257 M305 L306	I218-L222 HydrophobicContact CG2-CD1 4.09Å; I218-L222 HydrophobicContact CG2-CD2 4.4Å; I218-L222 HydrophobicContact CG2-CG 3.98Å; I218-L222 PolarHBondContact O-N 3.36Å; I218-L222 VanDerWaalsContact O-N 3.12Å; G219-L222 PolarHBondContact O-N 2.98Å; G219-L222 VanDerWaalsContact O-N 3.11Å; L222-F224 VanDerWaalsContact C-N 3.34Å; L222-L225 WeakPolarHBondContact O-CB 3.22Å; L222-L225 PolarHBondContact O-N 3.12Å; L222-E226 PolarHBondContact O-N 3.18Å; L222-L257 HydrophobicContact CD2-CD1 4.21Å; L222-L257 HydrophobicContact CD2-CD2 3.96Å; L222-M305 HydrophobicContact CD1-CB 3.81Å; L222-L306 HydrophobicContact CD1-CB 4.45Å; L222-L306 HydrophobicContact CD2-CB 4.11Å; L222-L306 HydrophobicContact CD2-CD1 4.4Å
223	D	96.7	Very high	94.6	Very high	73 Å²	73	41 Å²	41	39%	0.39	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-36.9	179.5	-60.2	-12	0	0	0	111.2	G219 P220 E226 L227 R309	G219-D223 VanDerWaalsContact O-CG 3.28Å; G219-D223 PolarHBondContact O-N 3.11Å; P220-D223 PolarHBondContact O-N 2.95Å; D223-E226 PolarHBondContact O-N 3.23Å; D223-L227 WeakPolarHBondContact O-CB 3.37Å; D223-L227 PolarHBondContact O-N 3.14Å; D223-R309 IonicContact OD1-CZ 3.49Å; D223-R309 IonicContact OD1-NH1 3.89Å; D223-R309 PolarHBondContact OD1-NH1 3.27Å; D223-R309 IonicContact OD1-NH2 3.68Å
224	F	98	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-43.3	171.8	178.1	-99.6	0	0	0	112.3	I142 L144 Y185 F204 F206 P220 L221 L222 L227 V228 F254	I142-F224 HydrophobicContact CG2-CE1 3.72Å; I142-F224 HydrophobicContact CG2-CZ 3.94Å; L144-F224 HydrophobicContact CD2-CE1 4.16Å; Y185-F224 HydrophobicContact CD1-CB 3.93Å; Y185-F224 AromaticContact CD1-CD2 3.7Å; Y185-F224 HydrophobicContact CD1-CD2 3.7Å; Y185-F224 HydrophobicContact CD1-CG 4.26Å; Y185-F224 HydrophobicContact CD2-CD2 4.16Å; Y185-F224 HydrophobicContact CE1-CB 3.96Å; Y185-F224 HydrophobicContact CE1-CD2 4.39Å; Y185-F224 AromaticContact CG-CD2 3.57Å; Y185-F224 HydrophobicContact CG-CD2 3.57Å; Y185-F224 HydrophobicContact CG-CE2 4.23Å; F204-F224 HydrophobicContact CB-CE2 3.57Å; F204-F224 HydrophobicContact CB-CZ 3.49Å; F204-F224 VanDerWaalsContact CB-CZ 3.49Å; F206-F224 HydrophobicContact CB-CD1 4.43Å; F206-F224 HydrophobicContact CB-CD2 4.4Å; F206-F224 HydrophobicContact CB-CE1 4.08Å; F206-F224 HydrophobicContact CB-CE2 3.99Å; F206-F224 HydrophobicContact CB-CZ 3.83Å; F206-F224 HydrophobicContact CD2-CB 3.75Å; F206-F224 AromaticContact CD2-CD1 3.85Å; F206-F224 HydrophobicContact CD2-CD1 3.85Å; F206-F224 AromaticContact CD2-CD2 3.75Å; F206-F224 HydrophobicContact CD2-CD2 3.75Å; F206-F224 HydrophobicContact CD2-CE1 4.35Å; F206-F224 HydrophobicContact CD2-CE2 4.2Å; F206-F224 AromaticContact CD2-CG 3.52Å; F206-F224 HydrophobicContact CD2-CG 3.52Å; F206-F224 HydrophobicContact CD2-CZ 4.49Å; F206-F224 HydrophobicContact CE2-CB 3.89Å; F206-F224 HydrophobicContact CE2-CG 4.19Å; F206-F224 HydrophobicContact CG-CD1 4.49Å; F206-F224 HydrophobicContact CG-CG 4.48Å; P220-F224 WeakPolarHBondContact O-CB 3.31Å; P220-F224 PolarHBondContact O-N 3.44Å; L221-F224 PolarHBondContact O-N 3.12Å; L222-F224 VanDerWaalsContact C-N 3.34Å; F224-L227 PolarHBondContact O-N 2.87Å; F224-V228 HydrophobicContact CD1-CG2 4.44Å; F224-V228 HydrophobicContact CE1-CG2 4.14Å; F224-V228 HydrophobicContact CZ-CG2 4.31Å; F224-V228 WeakPolarHBondContact O-CG2 3.42Å; F224-V228 PolarHBondContact O-N 2.89Å; F224-F254 HydrophobicContact CD1-CD2 4.42Å; F224-F254 AromaticContact CD1-CE2 3.76Å; F224-F254 HydrophobicContact CD1-CE2 3.76Å; F224-F254 HydrophobicContact CE1-CD2 4.34Å; F224-F254 AromaticContact CE1-CE2 3.78Å; F224-F254 HydrophobicContact CE1-CE2 3.78Å; F224-F254 HydrophobicContact CE1-CZ 4.43Å
225	L	97.9	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.1	171.9	61.6	0	0	0	111.9	L221 L222 L227 V228 R229 F254 L257 D258 R261	L221-L225 WeakPolarHBondContact O-CB 3.37Å; L221-L225 PolarHBondContact O-N 2.85Å; L222-L225 WeakPolarHBondContact O-CB 3.22Å; L222-L225 PolarHBondContact O-N 3.12Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.31Å; L225-V228 PolarHBondContact O-N 2.93Å; L225-R229 HydrophobicContact CD1-CG 4.32Å; L225-R229 PolarHBondContact O-N 3.07Å; L225-F254 HydrophobicContact CB-CE2 4.29Å; L225-F254 HydrophobicContact CD1-CE1 4.39Å; L225-F254 HydrophobicContact CD1-CE2 4.03Å; L225-F254 HydrophobicContact CD1-CZ 3.67Å; L225-L257 HydrophobicContact CD2-CD2 4.07Å; L225-L257 HydrophobicContact CD2-CG 3.79Å; L225-D258 HydrophobicContact CD1-CB 3.63Å; L225-D258 WeakPolarHBondContact CD1-OD1 3.42Å; L225-R261 HydrophobicContact CD2-CB 4.34Å
226	E	96.6	Very high	94.9	Very high	46 Å²	46	46.6 Å²	46.6	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-43.5	176.6	-70	-59	152.2	0	0	111.1	L222 D223 V228 R229 E230 R261	L222-E226 PolarHBondContact O-N 3.18Å; D223-E226 PolarHBondContact O-N 3.23Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 2.9Å; E226-R229 CarbonylContact O-C 3.32Å; E226-R229 PolarHBondContact O-N 3.09Å; E226-R229 VanDerWaalsContact O-N 3.08Å; E226-E230 WeakPolarHBondContact O-CG 3.33Å; E226-E230 PolarHBondContact O-N 3.04Å; E226-R261 VanDerWaalsContact CD-NE 3.27Å; E226-R261 WeakPolarHBondContact OE1-CD 3.44Å; E226-R261 IonicContact OE1-CZ 2.64Å; E226-R261 IonicContact OE1-NE 2.76Å; E226-R261 PolarHBondContact OE1-NE 3.24Å; E226-R261 IonicContact OE1-NH2 2.64Å; E226-R261 IonicContact OE2-CZ 3.11Å; E226-R261 IonicContact OE2-NE 3.07Å; E226-R261 PolarHBondContact OE2-NE 2.89Å; E226-R261 IonicContact OE2-NH2 3.79Å; E226-R261 PolarHBondContact OE2-NH2 2.94Å
227	L	97.2	Very high	95.2	Very high	44 Å²	44	40.9 Å²	40.9	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-40.7	177.2	-178.2	68.3	0	0	0	112.6	L181 Y185 V187 F204 D223 F224 L225 H231	L181-L227 HydrophobicContact CD1-CD2 3.6Å; Y185-L227 HydrophobicContact CD2-CD2 4.18Å; Y185-L227 HydrophobicContact CE2-CD2 3.75Å; V187-L227 HydrophobicContact CG2-CD2 4.09Å; F204-L227 HydrophobicContact CD1-CD2 4.21Å; F204-L227 HydrophobicContact CD1-CG 4.39Å; F204-L227 HydrophobicContact CE1-CD2 4.07Å; F204-L227 HydrophobicContact CE1-CG 3.9Å; D223-L227 WeakPolarHBondContact O-CB 3.37Å; D223-L227 PolarHBondContact O-N 3.14Å; F224-L227 PolarHBondContact O-N 2.87Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.31Å; L227-H231 PolarHBondContact O-N 2.86Å
228	V	98.2	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-45.2	173.9	164.2	0	0	0	0	110.7	T140 I142 F204 F224 L225 E226 H231 Q232 L240 F254	T140-V228 HydrophobicContact CG2-CG1 4.24Å; I142-V228 HydrophobicContact CD1-CG1 3.65Å; I142-V228 HydrophobicContact CD1-CG2 4.15Å; I142-V228 HydrophobicContact CG1-CG1 4.44Å; I142-V228 HydrophobicContact CG1-CG2 4.41Å; F204-V228 HydrophobicContact CB-CG2 3.94Å; F204-V228 HydrophobicContact CD1-CG2 3.84Å; F204-V228 HydrophobicContact CD2-CG2 4.12Å; F204-V228 HydrophobicContact CE1-CG2 4.4Å; F204-V228 HydrophobicContact CG-CG2 3.69Å; F224-V228 HydrophobicContact CD1-CG2 4.44Å; F224-V228 HydrophobicContact CE1-CG2 4.14Å; F224-V228 HydrophobicContact CZ-CG2 4.31Å; F224-V228 WeakPolarHBondContact O-CG2 3.42Å; F224-V228 PolarHBondContact O-N 2.89Å; L225-V228 PolarHBondContact O-N 2.93Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 2.9Å; V228-H231 WeakPolarHBondContact O-CB 3.18Å; V228-H231 PolarHBondContact O-N 3.08Å; V228-Q232 PolarHBondContact O-N 3.36Å; V228-L240 HydrophobicContact CG1-CD1 4.21Å; V228-L240 HydrophobicContact CG1-CD2 4.41Å; V228-F254 HydrophobicContact CG1-CZ 4.43Å; V228-F254 HydrophobicContact CG2-CZ 4.49Å
229	R	96.9	Very high	95.6	Very high	18 Å²	18	37.3 Å²	37.3	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-77.7	-23.7	-177.3	-71.7	-58.4	-166.6	177.7	2.5	114.3	L225 E226 H231 Q232 P233 E234 D258	L225-R229 HydrophobicContact CD1-CG 4.32Å; L225-R229 PolarHBondContact O-N 3.07Å; E226-R229 CarbonylContact O-C 3.32Å; E226-R229 PolarHBondContact O-N 3.09Å; E226-R229 VanDerWaalsContact O-N 3.08Å; R229-H231 VanDerWaalsContact C-N 3.29Å; R229-Q232 WeakPolarHBondContact CD-O 3.22Å; R229-Q232 PolarHBondContact NH1-O 3.25Å; R229-Q232 CarbonylContact O-C 3.55Å; R229-P233 WeakPolarHBondContact O-CA 3.44Å; R229-E234 WeakPolarHBondContact CD-OE1 3.46Å; R229-E234 IonicContact CZ-OE1 3.77Å; R229-E234 IonicContact NE-OE1 3.09Å; R229-E234 PolarHBondContact NE-OE1 2.89Å; R229-D258 IonicContact CZ-OD1 3.29Å; R229-D258 IonicContact CZ-OD2 2.82Å; R229-D258 IonicContact NE-OD1 2.89Å; R229-D258 PolarHBondContact NE-OD1 2.88Å; R229-D258 IonicContact NE-OD2 3.84Å; R229-D258 PolarHBondContact NE-OD2 2.84Å; R229-D258 IonicContact NH2-OD1 2.8Å; R229-D258 PolarHBondContact NH2-OD1 3.25Å; R229-D258 IonicContact NH2-OD2 3.51Å; R229-D258 PolarHBondContact NH2-OD2 3.37Å
230	E	96.2	Very high	95.7	Very high	121 Å²	121	36.6 Å²	36.6	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-64.9	-35.4	165.1	-75.1	-179.4	172	0	0	111.3	E226	E226-E230 WeakPolarHBondContact O-CG 3.33Å; E226-E230 PolarHBondContact O-N 3.04Å
231	H	97	Very high	95.8	Very high	58 Å²	58	36 Å²	36	27%	0.269	20%	0.199	S	C	.	.	H	α-helix	trans	-75.8	-42.4	175.5	178.1	47.9	0	0	0	113.2	T140 F204 L227 V228 R229	T140-H231 PolarHBondContact OG1-CD2 3.29Å; F204-H231 HydrophobicContact CE2-CB 4.27Å; F204-H231 AromaticContact CE2-CD2 3.61Å; F204-H231 HydrophobicContact CZ-CB 3.7Å; F204-H231 AromaticContact CZ-CD2 3.84Å; F204-H231 AromaticContact CZ-CG 3.9Å; L227-H231 PolarHBondContact O-N 2.86Å; V228-H231 WeakPolarHBondContact O-CB 3.18Å; V228-H231 PolarHBondContact O-N 3.08Å; R229-H231 VanDerWaalsContact C-N 3.29Å
232	Q	97	Very high	95.9	Very high	3 Å²	3	36 Å²	36	1%	0.014	20%	0.199	C	C	.	.	S	Bend	trans	-133.5	90.7	179.9	-172.9	175.2	-33.4	0	0	111.2	T140 V228 R229 N236 E238 L240	T140-Q232 VanDerWaalsContact CB-OE1 3.25Å; T140-Q232 PolarHBondContact OG1-OE1 2.77Å; V228-Q232 PolarHBondContact O-N 3.36Å; R229-Q232 WeakPolarHBondContact CD-O 3.22Å; R229-Q232 PolarHBondContact NH1-O 3.25Å; R229-Q232 CarbonylContact O-C 3.55Å; Q232-N236 HydrophobicContact CG-CB 3.85Å; Q232-E238 PolarHBondContact NE2-O 3.47Å; Q232-L240 HydrophobicContact CB-CD2 4.17Å; Q232-L240 HydrophobicContact CG-CD2 4.16Å
233	P	93.9	Very high	96	Very high	49 Å²	49	36 Å²	36	32%	0.318	20%	0.199	S	C	.	.			trans	-58.4	157.9	174.7	-25.6	34.6	0	0	0	113.1	R229 T235 N236	R229-P233 WeakPolarHBondContact O-CA 3.44Å; P233-T235 PolarHBondContact O-N 3.21Å; P233-T235 VanDerWaalsContact O-N 3.11Å; P233-N236 WeakPolarHBondContact CD-OD1 3.37Å; P233-N236 WeakPolarHBondContact O-CB 3.1Å; P233-N236 PolarHBondContact O-N 2.71Å; P233-N236 PolarHBondContact O-OD1 3.48Å
234	E	87.2	Confident	96	Very high	45 Å²	45	32.7 Å²	32.7	21%	0.21	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	179.9	-59.9	70	-152.4	0	0	112.6	R229 N236 R261 C262	R229-E234 WeakPolarHBondContact CD-OE1 3.46Å; R229-E234 IonicContact CZ-OE1 3.77Å; R229-E234 IonicContact NE-OE1 3.09Å; R229-E234 PolarHBondContact NE-OE1 2.89Å; E234-N236 PolarHBondContact O-N 2.74Å; E234-R261 IonicContact OE1-CZ 3.44Å; E234-R261 IonicContact OE1-NH1 3.47Å; E234-R261 PolarHBondContact OE1-NH1 2.69Å; E234-C262 HydrophobicContact CG-CB 4.37Å
235	T	87.3	Confident	96	Very high	119 Å²	119	32.7 Å²	32.7	73%	0.73	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.4	176.4	54.2	0	0	0	0	113	P233	P233-T235 PolarHBondContact O-N 3.21Å; P233-T235 VanDerWaalsContact O-N 3.11Å
236	N	91.8	Very high	96	Very high	51 Å²	51	33.1 Å²	33.1	27%	0.273	18%	0.184	S	C	.	.			trans	-67.1	139.4	175.3	-78.3	96.3	0	0	0	111.5	K139 Q232 P233 E234	K139-N236 PolarHBondContact NZ-ND2 2.57Å; Q232-N236 HydrophobicContact CG-CB 3.85Å; P233-N236 WeakPolarHBondContact CD-OD1 3.37Å; P233-N236 WeakPolarHBondContact O-CB 3.1Å; P233-N236 PolarHBondContact O-N 2.71Å; P233-N236 PolarHBondContact O-OD1 3.48Å; E234-N236 PolarHBondContact O-N 2.74Å
237	A	93.3	Very high	96.1	Very high	73 Å²	73	30.9 Å²	30.9	60%	0.603	17%	0.174	S	C	*	.	S	Bend	trans	-83.7	-19.2	-179.4	0	0	0	0	0	113.1
238	E	97	Very high	96.2	Very high	45 Å²	45	28.8 Å²	28.8	21%	0.21	16%	0.163	C	C	.	.	S	Bend	trans	-78	141.9	-179.8	-56	91.9	161.6	0	0	111.1	R137 K139 Q232	R137-E238 HydrophobicContact CB-CG 4.22Å; R137-E238 WeakPolarHBondContact O-CG 3.44Å; K139-E238 VanDerWaalsContact CE-CD 3.45Å; K139-E238 VanDerWaalsContact CE-OE1 3.22Å; K139-E238 WeakPolarHBondContact CE-OE1 3.49Å; K139-E238 IonicContact NZ-OE1 2.74Å; K139-E238 PolarHBondContact NZ-OE1 3.27Å; K139-E238 IonicContact NZ-OE2 3.55Å; K139-E238 PolarHBondContact NZ-OE2 2.72Å; Q232-E238 PolarHBondContact NE2-O 3.47Å
239	P	98.1	Very high	96.2	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.078	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-74.8	153.3	-179.6	29.8	-34.4	0	0	0	112.1	V113 G114 I116 C136 V138	V113-P239 HydrophobicContact CG1-CB 4.16Å; G114-P239 WeakPolarHBondContact O-CA 3.09Å; I116-P239 HydrophobicContact CD1-CB 4.32Å; I116-P239 HydrophobicContact CD1-CG 3.66Å; I116-P239 HydrophobicContact CG1-CB 4.06Å; I116-P239 HydrophobicContact CG1-CG 3.93Å; C136-P239 HydrophobicContact CB-CG 4.47Å; V138-P239 HydrophobicContact CG2-CG 4.43Å
240	L	98.7	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129	162.5	-60.2	178.6	0	0	0	109.1	G114 Y115 I116 T140 I142 V228 Q232 V242	G114-L240 PolarHBondContact O-N 3.49Å; Y115-L240 CarbonylContact C-O 3.55Å; Y115-L240 VanDerWaalsContact CA-O 3.22Å; Y115-L240 WeakPolarHBondContact CA-O 3.12Å; Y115-L240 HydrophobicContact CD1-CB 4.2Å; Y115-L240 HydrophobicContact CD1-CD1 4.33Å; Y115-L240 HydrophobicContact CE1-CD1 4.24Å; I116-L240 PolarHBondContact N-O 3.4Å; T140-L240 HydrophobicContact CG2-CD2 3.81Å; I142-L240 HydrophobicContact CD1-CB 4.43Å; I142-L240 HydrophobicContact CD1-CD1 4.18Å; V228-L240 HydrophobicContact CG1-CD1 4.21Å; V228-L240 HydrophobicContact CG1-CD2 4.41Å; Q232-L240 HydrophobicContact CB-CD2 4.17Å; Q232-L240 HydrophobicContact CG-CD2 4.16Å; L240-V242 HydrophobicContact CB-CG2 4.27Å
241	V	98.9	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.1	167.4	167.2	0	0	0	0	108.5	I116 T118 F129 M132 I133 V138 T140 I141 I142	I116-V241 HydrophobicContact CB-CG2 3.96Å; I116-V241 HydrophobicContact CD1-CG2 4.13Å; I116-V241 HydrophobicContact CG2-CG2 4.37Å; I116-V241 WeakPolarHBondContact O-CA 3.09Å; T118-V241 HydrophobicContact CG2-CG1 4.05Å; F129-V241 HydrophobicContact CE2-CG1 4.12Å; F129-V241 HydrophobicContact CZ-CG1 4.21Å; M132-V241 HydrophobicContact CE-CG1 4.28Å; M132-V241 HydrophobicContact CE-CG2 4.16Å; I133-V241 HydrophobicContact CD1-CB 4.22Å; I133-V241 HydrophobicContact CD1-CG1 4.22Å; I133-V241 HydrophobicContact CD1-CG2 3.71Å; V138-V241 HydrophobicContact CB-CG2 4.17Å; V138-V241 HydrophobicContact CG1-CB 4.07Å; V138-V241 HydrophobicContact CG1-CG2 3.66Å; V138-V241 HydrophobicContact CG2-CG2 3.49Å; V138-V241 VanDerWaalsContact CG2-CG2 3.49Å; T140-V241 PolarHBondContact O-N 3.28Å; I141-V241 CarbonylContact C-O 3.59Å; I141-V241 WeakPolarHBondContact CA-O 3.46Å; I141-V241 HydrophobicContact CG1-CB 4.39Å; I141-V241 HydrophobicContact CG2-CG1 4.29Å; I142-V241 PolarHBondContact N-O 3.06Å
242	V	98.9	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.6	-179.1	-166.8	0	0	0	0	109.1	Y115 I116 A117 T118 I142 L144 L240 T251 F254	Y115-V242 HydrophobicContact CD1-CG2 4.28Å; I116-V242 PolarHBondContact O-N 3.47Å; A117-V242 WeakPolarHBondContact CA-O 3.27Å; T118-V242 PolarHBondContact N-O 2.92Å; T118-V242 VanDerWaalsContact N-O 3.14Å; I142-V242 HydrophobicContact CB-CB 4.49Å; I142-V242 HydrophobicContact CB-CG1 4.2Å; I142-V242 HydrophobicContact CB-CG2 4.35Å; I142-V242 HydrophobicContact CD1-CG2 4.09Å; I142-V242 HydrophobicContact CG2-CG1 4.29Å; L144-V242 HydrophobicContact CD1-CG1 3.77Å; L240-V242 HydrophobicContact CB-CG2 4.27Å; V242-T251 HydrophobicContact CB-CG2 4.03Å; V242-T251 HydrophobicContact CG1-CG2 3.9Å; V242-T251 WeakPolarHBondContact O-CG2 3.29Å; V242-F254 HydrophobicContact CG1-CB 4.41Å; V242-F254 HydrophobicContact CG1-CD1 3.96Å; V242-F254 HydrophobicContact CG1-CG 4.44Å; V242-F254 HydrophobicContact CG2-CD1 4.32Å
243	H	98.8	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.7	178.4	81.6	88.1	0	0	0	112.2	T118 I142 M143 L144 Y158 T251	T118-H243 HydrophobicContact CG2-CB 3.75Å; T118-H243 WeakPolarHBondContact O-CA 3.07Å; T118-H243 WeakPolarHBondContact O-CB 3.27Å; I142-H243 PolarHBondContact O-CD2 3.24Å; I142-H243 PolarHBondContact O-N 3.09Å; M143-H243 WeakPolarHBondContact CB-NE2 3.35Å; M143-H243 VanDerWaalsContact CG-CE1 3.44Å; M143-H243 WeakPolarHBondContact CG-CE1 3.33Å; L144-H243 PolarHBondContact N-O 2.94Å; Y158-H243 AromaticContact CE1-CE1 3.69Å; Y158-H243 AromaticContact CE1-NE2 3.42Å; Y158-H243 WeakPolarHBondContact CE1-NE2 3.14Å; Y158-H243 AromaticContact CZ-NE2 3.43Å; Y158-H243 PolarHBondContact OH-NE2 3.12Å; H243-T251 WeakPolarHBondContact CA-OG1 3.48Å
244	C	97.8	Very high	96.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.014	11%	0.106	C	C	.	.	S	Bend	trans	-128.3	-123.8	164.2	59.9	0	0	0	0	107.4	G120 L144 C145 G247 R250 T251	G120-C244 WeakPolarHBondContact CA-O 3.42Å; G120-C244 PolarHBondContact N-O 3.22Å; G120-C244 VanDerWaalsContact N-O 3.09Å; L144-C244 HydrophobicContact CB-CB 4.16Å; C145-C244 HydrophobicContact CB-CB 4.26Å; C145-C244 PolarHBondContact SG-O 3.44Å; C244-G247 PolarHBondContact SG-N 3.47Å; C244-G247 VanDerWaalsContact SG-N 3.4Å; C244-R250 HydrophobicContact CB-CB 3.91Å; C244-T251 PolarHBondContact N-OG1 2.92Å; C244-T251 PolarHBondContact SG-OG1 3.08Å
245	S	98.2	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-85.4	-64.6	167.1	-167.2	0	0	0	0	111.8	R76 Y77 Q119 G120 K154	R76-S245 WeakPolarHBondContact CD-OG 3.42Å; Y77-S245 WeakPolarHBondContact CE2-OG 3.23Å; Y77-S245 PolarHBondContact OH-OG 2.86Å; Q119-S245 CarbonylContact C-O 3.51Å; Q119-S245 WeakPolarHBondContact CA-O 3.48Å; Q119-S245 WeakPolarHBondContact CB-O 3.37Å; G120-S245 PolarHBondContact N-O 3.49Å; K154-S245 WeakPolarHBondContact CA-OG 3.25Å; K154-S245 PolarHBondContact O-OG 2.83Å; K154-S245 VanDerWaalsContact O-OG 3.09Å
246	A	98.1	Very high	97.8	Very high	9 Å²	9	9.3 Å²	9.3	7%	0.074	6%	0.061	C	C	.	.	S	Bend	trans	-82.6	-21.1	-179.5	0	0	0	0	0	113.8	Y77 V80 C248 R286	Y77-A246 HydrophobicContact CD2-CB 3.58Å; Y77-A246 HydrophobicContact CE2-CB 3.65Å; V80-A246 HydrophobicContact CG1-CB 4.48Å; V80-A246 HydrophobicContact CG2-CB 4.34Å; A246-C248 HydrophobicContact CB-CB 4.44Å; A246-R286 PolarHBondContact O-NH2 3.09Å
247	G	98.5	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	77.7	30.2	-172	0	0	0	0	0	113.7	T118 C244 T251 R286	T118-G247 WeakPolarHBondContact O-CA 3.27Å; C244-G247 PolarHBondContact SG-N 3.47Å; C244-G247 VanDerWaalsContact SG-N 3.4Å; G247-T251 WeakPolarHBondContact CA-OG1 3.43Å; G247-R286 WeakPolarHBondContact O-CD 3.36Å; G247-R286 PolarHBondContact O-NE 2.8Å
248	C	98.2	Very high	98.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	-127.1	-72.7	-173.4	-63.8	0	0	0	0	112.9	V80 A246 G252 P287 A288 V290	V80-C248 WeakPolarHBondContact CG1-SG 3.38Å; A246-C248 HydrophobicContact CB-CB 4.44Å; C248-G252 WeakPolarHBondContact O-CA 3.42Å; C248-G252 PolarHBondContact O-N 3.14Å; C248-P287 PolarHBondContact SG-O 3.28Å; C248-A288 HydrophobicContact CB-CB 4.29Å; C248-A288 WeakPolarHBondContact CB-O 3.47Å; C248-V290 PolarHBondContact O-N 3.21Å
249	G	97.8	Very high	98.5	Very high	2 Å²	2	4 Å²	4	2%	0.021	2%	0.02	C	C	.	.	H	α-helix	trans	-64	-71.3	-171.3	0	0	0	0	0	114.7	T251 G252 T253	G249-T251 VanDerWaalsContact C-N 3.35Å; G249-T251 PolarHBondContact O-N 2.87Å; G249-G252 PolarHBondContact O-N 2.64Å; G249-T253 PolarHBondContact O-N 2.56Å; G249-T253 PolarHBondContact O-OG1 2.03Å
250	R	98.4	Very high	98.5	Very high	1 Å²	1	3.5 Å²	3.5	0%	0.004	2%	0.016	C	C	.	.	H	α-helix	trans	-60.3	-44.2	177.7	-61.8	177.3	-86.9	178.5	-7.8	111.5	L144 C145 E149 W209 D211 C244 G252 T253 F254	L144-R250 HydrophobicContact CB-CB 4.02Å; L144-R250 HydrophobicContact CD1-CB 4.33Å; L144-R250 WeakPolarHBondContact CD1-O 3.5Å; L144-R250 WeakPolarHBondContact O-CD 3.38Å; L144-R250 PolarHBondContact O-NE 3.02Å; L144-R250 PolarHBondContact O-NH1 3.39Å; C145-R250 VanDerWaalsContact CA-NH1 3.34Å; C145-R250 VanDerWaalsContact CB-NH1 3.32Å; E149-R250 IonicContact OE1-CZ 2.64Å; E149-R250 IonicContact OE1-NH1 3.73Å; E149-R250 PolarHBondContact OE1-NH1 2.88Å; E149-R250 IonicContact OE1-NH2 2.69Å; E149-R250 IonicContact OE2-CZ 3.4Å; E149-R250 IonicContact OE2-NH1 3.47Å; E149-R250 PolarHBondContact OE2-NH1 3.01Å; E149-R250 IonicContact OE2-NH2 3.45Å; E149-R250 PolarHBondContact OE2-NH2 3.07Å; W209-R250 HydrophobicContact CD2-CB 4.33Å; W209-R250 HydrophobicContact CD2-CG 4Å; W209-R250 HydrophobicContact CG-CG 4.06Å; W209-R250 HydrophobicContact CZ2-CB 4.35Å; W209-R250 HydrophobicContact CZ2-CG 4.29Å; W209-R250 PolarHBondContact O-NH1 3.42Å; D211-R250 IonicContact OD1-CZ 3.72Å; D211-R250 IonicContact OD1-NE 3.48Å; D211-R250 PolarHBondContact OD1-NE 2.83Å; D211-R250 IonicContact OD1-NH2 2.79Å; D211-R250 PolarHBondContact OD1-NH2 2.95Å; D211-R250 IonicContact OD2-NH2 2.67Å; C244-R250 HydrophobicContact CB-CB 3.91Å; R250-G252 PolarHBondContact O-N 3.48Å; R250-T253 PolarHBondContact O-N 3.07Å; R250-F254 PolarHBondContact O-N 3.26Å
251	T	98.8	Very high	98.4	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-54.5	-52.4	174.1	-62.5	0	0	0	0	112.6	A117 V242 H243 C244 G247 G249 T253 F254 C255 M289	A117-T251 HydrophobicContact CB-CG2 3.73Å; V242-T251 HydrophobicContact CB-CG2 4.03Å; V242-T251 HydrophobicContact CG1-CG2 3.9Å; V242-T251 WeakPolarHBondContact O-CG2 3.29Å; H243-T251 WeakPolarHBondContact CA-OG1 3.48Å; C244-T251 PolarHBondContact N-OG1 2.92Å; C244-T251 PolarHBondContact SG-OG1 3.08Å; G247-T251 WeakPolarHBondContact CA-OG1 3.43Å; G249-T251 VanDerWaalsContact C-N 3.35Å; G249-T251 PolarHBondContact O-N 2.87Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.77Å; T251-F254 PolarHBondContact O-N 2.74Å; T251-C255 PolarHBondContact O-N 3.01Å; T251-C255 PolarHBondContact O-SG 3.39Å; T251-M289 HydrophobicContact CG2-CE 4.42Å
252	G	98.7	Very high	98.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.8	-35	179.6	0	0	0	0	0	112.9	C248 G249 R250 C255 A256	C248-G252 WeakPolarHBondContact O-CA 3.42Å; C248-G252 PolarHBondContact O-N 3.14Å; G249-G252 PolarHBondContact O-N 2.64Å; R250-G252 PolarHBondContact O-N 3.48Å; G252-C255 PolarHBondContact O-N 2.92Å; G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 2.78Å
253	T	98.6	Very high	98.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.5	-47.4	174.8	-52.4	0	0	0	0	110.9	W209 G249 R250 T251 A256 L257 L298 L299	W209-T253 HydrophobicContact CH2-CG2 3.78Å; W209-T253 HydrophobicContact CZ2-CG2 3.81Å; G249-T253 PolarHBondContact O-N 2.56Å; G249-T253 PolarHBondContact O-OG1 2.03Å; R250-T253 PolarHBondContact O-N 3.07Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.77Å; T253-A256 PolarHBondContact O-N 3.21Å; T253-L257 WeakPolarHBondContact O-CB 3.38Å; T253-L257 PolarHBondContact O-N 3.31Å; T253-L298 HydrophobicContact CG2-CD2 4.12Å; T253-L299 HydrophobicContact CG2-CB 4.25Å; T253-L299 HydrophobicContact CG2-CD1 4.42Å
254	F	98.6	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.9	-48.1	176.7	-177.1	-85.8	0	0	0	112.1	I142 L144 L221 F224 L225 V228 V242 R250 T251 A256 L257 D258	I142-F254 HydrophobicContact CD1-CD1 4.09Å; I142-F254 HydrophobicContact CD1-CE1 3.23Å; I142-F254 HydrophobicContact CD1-CZ 3.51Å; I142-F254 HydrophobicContact CG2-CD1 4.45Å; I142-F254 HydrophobicContact CG2-CE1 4.33Å; I142-F254 HydrophobicContact CG2-CE2 4.45Å; I142-F254 HydrophobicContact CG2-CZ 4.33Å; L144-F254 HydrophobicContact CD1-CB 3.56Å; L144-F254 HydrophobicContact CD1-CG 4.13Å; L144-F254 HydrophobicContact CD2-CD2 4.3Å; L221-F254 HydrophobicContact CD1-CD2 4.29Å; F224-F254 HydrophobicContact CD1-CD2 4.42Å; F224-F254 AromaticContact CD1-CE2 3.76Å; F224-F254 HydrophobicContact CD1-CE2 3.76Å; F224-F254 HydrophobicContact CE1-CD2 4.34Å; F224-F254 AromaticContact CE1-CE2 3.78Å; F224-F254 HydrophobicContact CE1-CE2 3.78Å; F224-F254 HydrophobicContact CE1-CZ 4.43Å; L225-F254 HydrophobicContact CB-CE2 4.29Å; L225-F254 HydrophobicContact CD1-CE1 4.39Å; L225-F254 HydrophobicContact CD1-CE2 4.03Å; L225-F254 HydrophobicContact CD1-CZ 3.67Å; V228-F254 HydrophobicContact CG1-CZ 4.43Å; V228-F254 HydrophobicContact CG2-CZ 4.49Å; V242-F254 HydrophobicContact CG1-CB 4.41Å; V242-F254 HydrophobicContact CG1-CD1 3.96Å; V242-F254 HydrophobicContact CG1-CG 4.44Å; V242-F254 HydrophobicContact CG2-CD1 4.32Å; R250-F254 PolarHBondContact O-N 3.26Å; T251-F254 PolarHBondContact O-N 2.74Å; F254-A256 VanDerWaalsContact C-N 3.32Å; F254-A256 PolarHBondContact O-N 3.19Å; F254-L257 PolarHBondContact O-N 2.94Å; F254-D258 HydrophobicContact CE1-CB 4.4Å; F254-D258 WeakPolarHBondContact O-CB 3.2Å; F254-D258 PolarHBondContact O-N 3.35Å
255	C	98.7	Very high	97.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.8	-42.1	178.8	-67.4	0	0	0	0	111.9	T251 G252 Y259 M289	T251-C255 PolarHBondContact O-N 3.01Å; T251-C255 PolarHBondContact O-SG 3.39Å; G252-C255 PolarHBondContact O-N 2.92Å; C255-Y259 VanDerWaalsContact O-CB 3.26Å; C255-Y259 WeakPolarHBondContact O-CB 3.46Å; C255-Y259 PolarHBondContact O-N 2.89Å; C255-M289 HydrophobicContact CB-CE 4.4Å
256	A	98.7	Very high	97.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.7	-44.4	177.6	0	0	0	0	0	112.2	G252 T253 F254 D258 Y259 A260 L278 L282 L299	G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 2.78Å; T253-A256 PolarHBondContact O-N 3.21Å; F254-A256 VanDerWaalsContact C-N 3.32Å; F254-A256 PolarHBondContact O-N 3.19Å; A256-D258 PolarHBondContact O-N 2.73Å; A256-Y259 WeakPolarHBondContact O-CB 3.21Å; A256-Y259 PolarHBondContact O-N 3.33Å; A256-A260 PolarHBondContact O-N 2.89Å; A256-L278 HydrophobicContact CB-CD2 3.85Å; A256-L278 HydrophobicContact CB-CG 4.13Å; A256-L278 WeakPolarHBondContact O-CD2 3.39Å; A256-L282 HydrophobicContact CB-CD1 3.63Å; A256-L299 HydrophobicContact CB-CD1 3.73Å; A256-L299 HydrophobicContact CB-CD2 3.51Å; A256-L299 HydrophobicContact CB-CG 4.26Å
257	L	98.7	Very high	97.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-45.6	178.4	-179.7	61.8	0	0	0	111.4	L221 L222 L225 T253 F254 A260 R261 L299 I303 L306	L221-L257 HydrophobicContact CD2-CD2 4.04Å; L221-L257 HydrophobicContact CG-CD2 4.01Å; L222-L257 HydrophobicContact CD2-CD1 4.21Å; L222-L257 HydrophobicContact CD2-CD2 3.96Å; L225-L257 HydrophobicContact CD2-CD2 4.07Å; L225-L257 HydrophobicContact CD2-CG 3.79Å; T253-L257 WeakPolarHBondContact O-CB 3.38Å; T253-L257 PolarHBondContact O-N 3.31Å; F254-L257 PolarHBondContact O-N 2.94Å; L257-A260 PolarHBondContact O-N 2.92Å; L257-R261 PolarHBondContact O-N 2.96Å; L257-L299 HydrophobicContact CB-CD1 4Å; L257-I303 HydrophobicContact CD1-CG1 3.78Å; L257-L306 HydrophobicContact CD1-CD2 4.1Å
258	D	98.5	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-36.5	175.5	178.5	70.6	0	0	0	112.8	Y115 L225 R229 F254 A256 R261 C262	Y115-D258 HydrophobicContact CE1-CB 4.37Å; Y115-D258 WeakPolarHBondContact CE1-OD2 3.36Å; Y115-D258 VanDerWaalsContact CZ-OD2 3.22Å; Y115-D258 PolarHBondContact OH-OD2 3.32Å; L225-D258 HydrophobicContact CD1-CB 3.63Å; L225-D258 WeakPolarHBondContact CD1-OD1 3.42Å; R229-D258 IonicContact CZ-OD1 3.29Å; R229-D258 IonicContact CZ-OD2 2.82Å; R229-D258 IonicContact NE-OD1 2.89Å; R229-D258 PolarHBondContact NE-OD1 2.88Å; R229-D258 IonicContact NE-OD2 3.84Å; R229-D258 PolarHBondContact NE-OD2 2.84Å; R229-D258 IonicContact NH2-OD1 2.8Å; R229-D258 PolarHBondContact NH2-OD1 3.25Å; R229-D258 IonicContact NH2-OD2 3.51Å; R229-D258 PolarHBondContact NH2-OD2 3.37Å; F254-D258 HydrophobicContact CE1-CB 4.4Å; F254-D258 WeakPolarHBondContact O-CB 3.2Å; F254-D258 PolarHBondContact O-N 3.35Å; A256-D258 PolarHBondContact O-N 2.73Å; D258-R261 VanDerWaalsContact O-CB 3.31Å; D258-R261 WeakPolarHBondContact O-CB 3.43Å; D258-R261 PolarHBondContact O-N 3.05Å; D258-C262 WeakPolarHBondContact O-CB 3.35Å; D258-C262 PolarHBondContact O-N 2.82Å
259	Y	98.2	Very high	97	Very high	58 Å²	58	20.7 Å²	20.7	23%	0.227	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-45.6	174.3	-168.9	-77.7	0	0	0	111.3	G108 C109 Y115 C255 A256 R261 C262 L263 L278	G108-Y259 WeakPolarHBondContact O-CE2 3.44Å; C109-Y259 HydrophobicContact CB-CD1 4.44Å; C109-Y259 HydrophobicContact CB-CD2 4.4Å; C109-Y259 HydrophobicContact CB-CE1 4.19Å; C109-Y259 HydrophobicContact CB-CE2 4.16Å; Y115-Y259 PolarHBondContact OH-N 2.71Å; C255-Y259 VanDerWaalsContact O-CB 3.26Å; C255-Y259 WeakPolarHBondContact O-CB 3.46Å; C255-Y259 PolarHBondContact O-N 2.89Å; A256-Y259 WeakPolarHBondContact O-CB 3.21Å; A256-Y259 PolarHBondContact O-N 3.33Å; Y259-R261 VanDerWaalsContact C-N 3.32Å; Y259-R261 PolarHBondContact O-N 3.07Å; Y259-C262 WeakPolarHBondContact O-CB 3.46Å; Y259-C262 PolarHBondContact O-N 2.81Å; Y259-C262 VanDerWaalsContact O-N 3.15Å; Y259-L263 HydrophobicContact CD1-CD1 3.86Å; Y259-L263 HydrophobicContact CD1-CG 3.93Å; Y259-L263 HydrophobicContact CE1-CD1 3.72Å; Y259-L263 HydrophobicContact CE1-CD2 3.92Å; Y259-L263 HydrophobicContact CE1-CG 3.77Å; Y259-L263 WeakPolarHBondContact O-CG 3.22Å; Y259-L263 PolarHBondContact O-N 3.14Å; Y259-L278 HydrophobicContact CD1-CD1 3.57Å; Y259-L278 HydrophobicContact CE1-CD1 4.06Å; Y259-L278 HydrophobicContact CG-CD1 3.88Å
260	A	98.2	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-40.9	175.6	0	0	0	0	0	111.7	A256 L257 C262 L263 F264 F273 I303 F307	A256-A260 PolarHBondContact O-N 2.89Å; L257-A260 PolarHBondContact O-N 2.92Å; A260-C262 VanDerWaalsContact C-N 3.35Å; A260-C262 PolarHBondContact O-N 2.84Å; A260-L263 PolarHBondContact O-N 2.84Å; A260-F264 PolarHBondContact O-N 3.21Å; A260-F273 HydrophobicContact CB-CE2 4.4Å; A260-F273 HydrophobicContact CB-CZ 3.8Å; A260-I303 HydrophobicContact CB-CD1 3.88Å; A260-I303 HydrophobicContact CB-CG1 3.9Å; A260-I303 HydrophobicContact CB-CG2 4.19Å; A260-F307 HydrophobicContact CB-CE1 4.47Å; A260-F307 HydrophobicContact CB-CZ 4.25Å
261	R	97.3	Very high	96.5	Very high	17 Å²	17	26.9 Å²	26.9	6%	0.064	15%	0.148	C	C	.	.	H	α-helix	trans	-55.8	-49	171	-176.3	176.3	171.9	-74.8	6.2	111.7	L225 E226 E234 L257 D258 Y259 L263 F264 K265 L306 F310	L225-R261 HydrophobicContact CD2-CB 4.34Å; E226-R261 VanDerWaalsContact CD-NE 3.27Å; E226-R261 WeakPolarHBondContact OE1-CD 3.44Å; E226-R261 IonicContact OE1-CZ 2.64Å; E226-R261 IonicContact OE1-NE 2.76Å; E226-R261 PolarHBondContact OE1-NE 3.24Å; E226-R261 IonicContact OE1-NH2 2.64Å; E226-R261 IonicContact OE2-CZ 3.11Å; E226-R261 IonicContact OE2-NE 3.07Å; E226-R261 PolarHBondContact OE2-NE 2.89Å; E226-R261 IonicContact OE2-NH2 3.79Å; E226-R261 PolarHBondContact OE2-NH2 2.94Å; E234-R261 IonicContact OE1-CZ 3.44Å; E234-R261 IonicContact OE1-NH1 3.47Å; E234-R261 PolarHBondContact OE1-NH1 2.69Å; L257-R261 PolarHBondContact O-N 2.96Å; D258-R261 VanDerWaalsContact O-CB 3.31Å; D258-R261 WeakPolarHBondContact O-CB 3.43Å; D258-R261 PolarHBondContact O-N 3.05Å; Y259-R261 VanDerWaalsContact C-N 3.32Å; Y259-R261 PolarHBondContact O-N 3.07Å; R261-L263 PolarHBondContact O-N 2.76Å; R261-F264 PolarHBondContact O-N 2.85Å; R261-K265 HydrophobicContact CG-CG 4.36Å; R261-K265 WeakPolarHBondContact O-CG 3.3Å; R261-K265 PolarHBondContact O-N 2.68Å; R261-L306 HydrophobicContact CB-CD2 3.73Å; R261-L306 HydrophobicContact CG-CD2 4.23Å; R261-F310 HydrophobicContact CG-CE2 4.19Å; R261-F310 HydrophobicContact CG-CZ 3.88Å
262	C	96.1	Very high	96.2	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-43.1	180	-175.4	0	0	0	0	111.6	C109 E234 D258 Y259 A260 F264 K265 T266	C109-C262 HydrophobicContact CB-CB 3.65Å; C109-C262 WeakPolarHBondContact CB-SG 3.37Å; C109-C262 WeakPolarHBondContact SG-CB 3.5Å; C109-C262 PolarHBondContact SG-O 2.84Å; C109-C262 CovalentContact SG-SG 2.03Å; C109-C262 PolarHBondContact SG-SG 2.82Å; E234-C262 HydrophobicContact CG-CB 4.37Å; D258-C262 WeakPolarHBondContact O-CB 3.35Å; D258-C262 PolarHBondContact O-N 2.82Å; Y259-C262 WeakPolarHBondContact O-CB 3.46Å; Y259-C262 PolarHBondContact O-N 2.81Å; Y259-C262 VanDerWaalsContact O-N 3.15Å; A260-C262 VanDerWaalsContact C-N 3.35Å; A260-C262 PolarHBondContact O-N 2.84Å; C262-F264 VanDerWaalsContact C-N 3.35Å; C262-F264 PolarHBondContact O-N 3.2Å; C262-K265 PolarHBondContact O-N 2.75Å; C262-T266 WeakPolarHBondContact O-CB 3.42Å; C262-T266 WeakPolarHBondContact O-CG2 3.29Å; C262-T266 PolarHBondContact O-N 3.45Å; C262-T266 PolarHBondContact O-OG1 2.78Å
263	L	96.4	Very high	96.1	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45	176	-71.1	176.1	0	0	0	112.3	C109 Y259 A260 R261 E267 K268 L269 F273	C109-L263 HydrophobicContact CB-CD2 3.87Å; C109-L263 HydrophobicContact CB-CG 4.17Å; Y259-L263 HydrophobicContact CD1-CD1 3.86Å; Y259-L263 HydrophobicContact CD1-CG 3.93Å; Y259-L263 HydrophobicContact CE1-CD1 3.72Å; Y259-L263 HydrophobicContact CE1-CD2 3.92Å; Y259-L263 HydrophobicContact CE1-CG 3.77Å; Y259-L263 WeakPolarHBondContact O-CG 3.22Å; Y259-L263 PolarHBondContact O-N 3.14Å; A260-L263 PolarHBondContact O-N 2.84Å; R261-L263 PolarHBondContact O-N 2.76Å; L263-E267 PolarHBondContact O-N 3.39Å; L263-K268 HydrophobicContact CD2-CB 3.9Å; L263-K268 PolarHBondContact O-N 3.04Å; L263-L269 HydrophobicContact CB-CB 4.23Å; L263-L269 HydrophobicContact CB-CD1 3.98Å; L263-L269 HydrophobicContact CD1-CD1 4.03Å; L263-L269 PolarHBondContact O-N 2.95Å; L263-F273 HydrophobicContact CD1-CD2 3.61Å; L263-F273 HydrophobicContact CD1-CE2 3.62Å
264	F	95.1	Very high	96.1	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-53.5	175.9	-178.9	-82.7	0	0	0	110.9	P11 T15 V19 A260 R261 C262 T266 E267 F307 F310	P11-F264 HydrophobicContact CB-CE2 4.31Å; P11-F264 HydrophobicContact CB-CZ 3.94Å; P11-F264 HydrophobicContact CG-CE2 4.49Å; P11-F264 HydrophobicContact CG-CZ 3.96Å; T15-F264 HydrophobicContact CG2-CD2 3.73Å; T15-F264 HydrophobicContact CG2-CE2 3.83Å; T15-F264 HydrophobicContact CG2-CG 4.45Å; V19-F264 HydrophobicContact CG2-CD2 3.68Å; V19-F264 HydrophobicContact CG2-CE2 3.81Å; A260-F264 PolarHBondContact O-N 3.21Å; R261-F264 PolarHBondContact O-N 2.85Å; C262-F264 VanDerWaalsContact C-N 3.35Å; C262-F264 PolarHBondContact O-N 3.2Å; F264-T266 PolarHBondContact O-N 3.07Å; F264-T266 VanDerWaalsContact O-N 3.14Å; F264-E267 PolarHBondContact O-N 3.03Å; F264-F307 HydrophobicContact CB-CD1 4.46Å; F264-F307 HydrophobicContact CB-CE1 3.93Å; F264-F307 HydrophobicContact CD2-CD1 4.4Å; F264-F310 HydrophobicContact CB-CD2 4.09Å; F264-F310 HydrophobicContact CB-CE2 4.15Å; F264-F310 HydrophobicContact CD1-CB 4.16Å; F264-F310 AromaticContact CD1-CD2 3.22Å; F264-F310 HydrophobicContact CD1-CD2 3.22Å; F264-F310 AromaticContact CD1-CE2 3.72Å; F264-F310 HydrophobicContact CD1-CE2 3.72Å; F264-F310 AromaticContact CD1-CG 3.88Å; F264-F310 HydrophobicContact CD1-CG 3.88Å; F264-F310 AromaticContact CD2-CD2 3.97Å; F264-F310 HydrophobicContact CD2-CD2 3.97Å; F264-F310 HydrophobicContact CE1-CB 3.57Å; F264-F310 AromaticContact CE1-CD2 3.56Å; F264-F310 HydrophobicContact CE1-CD2 3.56Å; F264-F310 HydrophobicContact CE1-CE2 4.39Å; F264-F310 AromaticContact CE1-CG 3.72Å; F264-F310 HydrophobicContact CE1-CG 3.72Å; F264-F310 HydrophobicContact CE2-CB 3.95Å; F264-F310 HydrophobicContact CE2-CD2 4.24Å; F264-F310 AromaticContact CG-CD2 3.47Å; F264-F310 HydrophobicContact CG-CD2 3.47Å; F264-F310 VanDerWaalsContact CG-CD2 3.47Å; F264-F310 AromaticContact CG-CE2 3.98Å; F264-F310 HydrophobicContact CG-CE2 3.98Å; F264-F310 HydrophobicContact CG-CG 4.41Å; F264-F310 HydrophobicContact CZ-CB 3.45Å; F264-F310 VanDerWaalsContact CZ-CB 3.45Å; F264-F310 HydrophobicContact CZ-CD2 4.06Å; F264-F310 HydrophobicContact CZ-CG 4.1Å
265	K	93.1	Very high	96	Very high	77 Å²	77	33.1 Å²	33.1	34%	0.335	20%	0.197	S	C	.	.	H	α-helix	trans	-63.8	-22	-175.5	-68.4	-65.6	-175.2	-173.9	0	113.9	R261 C262	R261-K265 HydrophobicContact CG-CG 4.36Å; R261-K265 WeakPolarHBondContact O-CG 3.3Å; R261-K265 PolarHBondContact O-N 2.68Å; C262-K265 PolarHBondContact O-N 2.75Å
266	T	92.7	Very high	96	Very high	55 Å²	55	34.9 Å²	34.9	34%	0.337	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	8.3	-179.1	60.7	0	0	0	0	113.9	C109 C262 F264 K268	C109-T266 PolarHBondContact SG-OG1 2.75Å; C262-T266 WeakPolarHBondContact O-CB 3.42Å; C262-T266 WeakPolarHBondContact O-CG2 3.29Å; C262-T266 PolarHBondContact O-N 3.45Å; C262-T266 PolarHBondContact O-OG1 2.78Å; F264-T266 PolarHBondContact O-N 3.07Å; F264-T266 VanDerWaalsContact O-N 3.14Å; T266-K268 PolarHBondContact O-N 3.11Å
267	E	94.1	Very high	96	Very high	80 Å²	80	36 Å²	36	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	33.6	-177.2	-62.3	-64	138.4	0	0	113.3	P11 S12 T15 L263 F264	P11-E267 WeakPolarHBondContact CA-OE1 3.42Å; P11-E267 WeakPolarHBondContact CB-OE1 3.47Å; S12-E267 WeakPolarHBondContact CB-OE2 3.42Å; S12-E267 PolarHBondContact N-OE1 3.03Å; S12-E267 PolarHBondContact N-OE2 3.24Å; S12-E267 PolarHBondContact OG-OE2 3.26Å; T15-E267 VanDerWaalsContact CB-OE2 3.28Å; T15-E267 WeakPolarHBondContact CB-OE2 3.2Å; T15-E267 PolarHBondContact OG1-OE2 2.85Å; L263-E267 PolarHBondContact O-N 3.39Å; F264-E267 PolarHBondContact O-N 3.03Å
268	K	94.8	Very high	95.9	Very high	105 Å²	105	36.6 Å²	36.6	46%	0.457	22%	0.219	S	C	.	.			trans	-108.4	4.3	179.4	-69.3	-178.4	-178.1	179	0	113.4	L263 T266 A270	L263-K268 HydrophobicContact CD2-CB 3.9Å; L263-K268 PolarHBondContact O-N 3.04Å; T266-K268 PolarHBondContact O-N 3.11Å; K268-A270 PolarHBondContact O-N 3.19Å; K268-A270 VanDerWaalsContact O-N 3.09Å
269	L	96	Very high	96	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.047	22%	0.219	C	C	.	.			trans	-69.6	105.7	178.7	-170.7	70.4	0	0	0	110.3	T15 A18 V19 L263 F273 F307	T15-L269 HydrophobicContact CG2-CB 4.42Å; T15-L269 HydrophobicContact CG2-CD2 4.49Å; A18-L269 HydrophobicContact CB-CD2 4.06Å; A18-L269 HydrophobicContact CB-CG 4.14Å; V19-L269 HydrophobicContact CG2-CD2 3.5Å; V19-L269 VanDerWaalsContact CG2-CD2 3.5Å; L263-L269 HydrophobicContact CB-CB 4.23Å; L263-L269 HydrophobicContact CB-CD1 3.98Å; L263-L269 HydrophobicContact CD1-CD1 4.03Å; L263-L269 PolarHBondContact O-N 2.95Å; L269-F273 HydrophobicContact CD1-CB 3.74Å; L269-F273 HydrophobicContact CD1-CD1 3.86Å; L269-F273 HydrophobicContact CD1-CD2 3.78Å; L269-F273 HydrophobicContact CD1-CE1 4.43Å; L269-F273 HydrophobicContact CD1-CE2 4.36Å; L269-F273 HydrophobicContact CD1-CG 3.5Å; L269-F273 VanDerWaalsContact CD1-CG 3.5Å; L269-F273 HydrophobicContact CG-CB 4.42Å; L269-F307 HydrophobicContact CD1-CE2 4.25Å; L269-F307 HydrophobicContact CD1-CZ 3.89Å; L269-F307 HydrophobicContact CD2-CE2 3.89Å; L269-F307 HydrophobicContact CD2-CZ 3.89Å
270	A	93.8	Very high	95.9	Very high	63 Å²	63	36.3 Å²	36.3	52%	0.521	22%	0.218	S	C	.	.			trans	-76.4	152.5	179.3	0	0	0	0	0	112.4	K268 G272 F273	K268-A270 PolarHBondContact O-N 3.19Å; K268-A270 VanDerWaalsContact O-N 3.09Å; A270-G272 PolarHBondContact O-N 3.01Å; A270-F273 VanDerWaalsContact O-CB 3.3Å; A270-F273 WeakPolarHBondContact O-CB 3.46Å; A270-F273 PolarHBondContact O-N 3.19Å
271	A	91.5	Very high	95.9	Very high	69 Å²	69	39.9 Å²	39.9	57%	0.57	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.9	177.8	0	0	0	0	0	115	K21	K21-A271 PolarHBondContact NZ-O 2.77Å; K21-A271 VanDerWaalsContact NZ-O 3.07Å
272	G	92.2	Very high	96	Very high	63 Å²	63	39.3 Å²	39.3	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	12.8	174.8	0	0	0	0	0	114.1	A270 S274	A270-G272 PolarHBondContact O-N 3.01Å; G272-S274 PolarHBondContact O-N 2.98Å
273	F	97.5	Very high	96.1	Very high	31 Å²	31	39.2 Å²	39.2	14%	0.136	23%	0.233	C	C	.	.			trans	-56.5	128.4	177	174.3	-99	0	0	0	110.8	F22 A260 L263 L269 A270 L278 I303 F307	F22-F273 AromaticContact CD2-CD1 3.78Å; F22-F273 HydrophobicContact CD2-CD1 3.78Å; F22-F273 AromaticContact CD2-CE1 3.9Å; F22-F273 HydrophobicContact CD2-CE1 3.9Å; F22-F273 HydrophobicContact CE2-CD1 4.09Å; F22-F273 AromaticContact CE2-CE1 3.74Å; F22-F273 HydrophobicContact CE2-CE1 3.74Å; F22-F273 HydrophobicContact CG-CD1 4.49Å; F22-F273 HydrophobicContact CZ-CE1 4.4Å; A260-F273 HydrophobicContact CB-CE2 4.4Å; A260-F273 HydrophobicContact CB-CZ 3.8Å; L263-F273 HydrophobicContact CD1-CD2 3.61Å; L263-F273 HydrophobicContact CD1-CE2 3.62Å; L269-F273 HydrophobicContact CD1-CB 3.74Å; L269-F273 HydrophobicContact CD1-CD1 3.86Å; L269-F273 HydrophobicContact CD1-CD2 3.78Å; L269-F273 HydrophobicContact CD1-CE1 4.43Å; L269-F273 HydrophobicContact CD1-CE2 4.36Å; L269-F273 HydrophobicContact CD1-CG 3.5Å; L269-F273 VanDerWaalsContact CD1-CG 3.5Å; L269-F273 HydrophobicContact CG-CB 4.42Å; A270-F273 VanDerWaalsContact O-CB 3.3Å; A270-F273 WeakPolarHBondContact O-CB 3.46Å; A270-F273 PolarHBondContact O-N 3.19Å; F273-L278 HydrophobicContact CE2-CD2 4.07Å; F273-L278 HydrophobicContact CZ-CD2 4.08Å; F273-I303 HydrophobicContact CE1-CG2 4.22Å; F273-I303 HydrophobicContact CZ-CD1 4.27Å; F273-F307 HydrophobicContact CD1-CE2 4.37Å; F273-F307 HydrophobicContact CE1-CE2 4.13Å; F273-F307 HydrophobicContact CE1-CZ 4.33Å
274	S	97.2	Very high	96.1	Very high	37 Å²	37	41.4 Å²	41.4	26%	0.259	24%	0.242	S	C	.	.			trans	-141.1	146.2	175.7	64.9	0	0	0	0	110.4	G272 Y276 G277 L278	G272-S274 PolarHBondContact O-N 2.98Å; S274-Y276 PolarHBondContact O-N 3.2Å; S274-G277 PolarHBondContact O-N 3.36Å; S274-G277 PolarHBondContact OG-N 3.01Å; S274-G277 VanDerWaalsContact OG-N 3.14Å; S274-L278 PolarHBondContact O-N 2.89Å; S274-L278 VanDerWaalsContact O-N 3.12Å
275	V	98.2	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-31.4	174.1	-174.5	0	0	0	0	110.8	F22 L278 V279 Y296 L299 H300 I303	F22-V275 HydrophobicContact CE2-CG2 3.74Å; F22-V275 HydrophobicContact CZ-CG2 3.9Å; V275-L278 PolarHBondContact O-N 2.81Å; V275-V279 HydrophobicContact CG1-CG2 4.04Å; V275-V279 WeakPolarHBondContact O-CB 3.23Å; V275-V279 VanDerWaalsContact O-CG2 3.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.35Å; V275-V279 PolarHBondContact O-N 2.99Å; V275-Y296 HydrophobicContact CB-CE2 4.43Å; V275-Y296 HydrophobicContact CG1-CD2 4.21Å; V275-Y296 HydrophobicContact CG1-CE2 3.75Å; V275-L299 HydrophobicContact CG1-CB 4.34Å; V275-L299 HydrophobicContact CG1-CD2 3.47Å; V275-L299 VanDerWaalsContact CG1-CD2 3.47Å; V275-L299 HydrophobicContact CG1-CG 3.74Å; V275-H300 VanDerWaalsContact CB-CE1 3.44Å; V275-H300 WeakPolarHBondContact CB-CE1 3.34Å; V275-H300 WeakPolarHBondContact CB-NE2 3.33Å; V275-H300 VanDerWaalsContact CG2-CD2 3.43Å; V275-H300 WeakPolarHBondContact CG2-CD2 3.44Å; V275-I303 HydrophobicContact CG2-CD1 3.92Å
276	Y	98	Very high	96.5	Very high	38 Å²	38	38.7 Å²	38.7	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-54	-58.9	171.7	-178.4	-84.3	0	0	0	111.9	Q44 K47 I48 E51 S274 L278 V279 Y280 Y296	Q44-Y276 HydrophobicContact CB-CD2 4.22Å; K47-Y276 HydrophobicContact CB-CE2 4.16Å; K47-Y276 HydrophobicContact CD-CE2 3.9Å; K47-Y276 WeakPolarHBondContact CD-OH 3.32Å; K47-Y276 WeakPolarHBondContact CE-OH 3.48Å; K47-Y276 HydrophobicContact CG-CE2 4.13Å; K47-Y276 WeakPolarHBondContact CG-OH 2.87Å; I48-Y276 HydrophobicContact CB-CE2 4.49Å; I48-Y276 HydrophobicContact CD1-CD2 3.77Å; I48-Y276 HydrophobicContact CD1-CE2 4.17Å; I48-Y276 HydrophobicContact CD1-CG 4.36Å; I48-Y276 HydrophobicContact CG1-CD2 3.44Å; I48-Y276 VanDerWaalsContact CG1-CD2 3.44Å; I48-Y276 HydrophobicContact CG1-CE2 3.32Å; I48-Y276 HydrophobicContact CG1-CG 4.24Å; E51-Y276 PolarHBondContact OE1-OH 2.75Å; E51-Y276 PolarHBondContact OE2-OH 2.89Å; S274-Y276 PolarHBondContact O-N 3.2Å; Y276-L278 VanDerWaalsContact C-N 3.31Å; Y276-L278 PolarHBondContact O-N 2.67Å; Y276-V279 PolarHBondContact O-N 2.72Å; Y276-Y280 WeakPolarHBondContact O-CB 3.44Å; Y276-Y280 PolarHBondContact O-N 3.43Å; Y276-Y296 VanDerWaalsContact CA-OH 3.3Å; Y276-Y296 WeakPolarHBondContact CA-OH 3.49Å; Y276-Y296 PolarHBondContact N-OH 2.76Å
277	G	97.7	Very high	96.8	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-43.5	-178.3	0	0	0	0	0	111.6	S274 V279 Y280 D281	S274-G277 PolarHBondContact O-N 3.36Å; S274-G277 PolarHBondContact OG-N 3.01Å; S274-G277 VanDerWaalsContact OG-N 3.14Å; G277-V279 PolarHBondContact O-N 3.35Å; G277-Y280 PolarHBondContact O-N 2.88Å; G277-D281 WeakPolarHBondContact O-CB 3.44Å; G277-D281 PolarHBondContact O-N 2.93Å
278	L	98.4	Very high	96.9	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-48.9	178.2	177.5	57.6	0	0	0	112.8	A256 Y259 F273 S274 V275 Y276 D281 L282	A256-L278 HydrophobicContact CB-CD2 3.85Å; A256-L278 HydrophobicContact CB-CG 4.13Å; A256-L278 WeakPolarHBondContact O-CD2 3.39Å; Y259-L278 HydrophobicContact CD1-CD1 3.57Å; Y259-L278 HydrophobicContact CE1-CD1 4.06Å; Y259-L278 HydrophobicContact CG-CD1 3.88Å; F273-L278 HydrophobicContact CE2-CD2 4.07Å; F273-L278 HydrophobicContact CZ-CD2 4.08Å; S274-L278 PolarHBondContact O-N 2.89Å; S274-L278 VanDerWaalsContact O-N 3.12Å; V275-L278 PolarHBondContact O-N 2.81Å; Y276-L278 VanDerWaalsContact C-N 3.31Å; Y276-L278 PolarHBondContact O-N 2.67Å; L278-D281 PolarHBondContact O-N 3.2Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 2.95Å
279	V	98.6	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.2	-39.4	179.9	173.9	0	0	0	0	111.1	I48 V275 Y276 G277 L282 R283 V290 Y296 L299	I48-V279 HydrophobicContact CD1-CB 4.18Å; I48-V279 HydrophobicContact CD1-CG1 4.15Å; I48-V279 HydrophobicContact CG2-CG1 4.09Å; V275-V279 HydrophobicContact CG1-CG2 4.04Å; V275-V279 WeakPolarHBondContact O-CB 3.23Å; V275-V279 VanDerWaalsContact O-CG2 3.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.35Å; V275-V279 PolarHBondContact O-N 2.99Å; Y276-V279 PolarHBondContact O-N 2.72Å; G277-V279 PolarHBondContact O-N 3.35Å; V279-L282 PolarHBondContact O-N 2.74Å; V279-R283 WeakPolarHBondContact O-CG 3.17Å; V279-R283 PolarHBondContact O-N 2.85Å; V279-V290 HydrophobicContact CG1-CB 3.91Å; V279-V290 HydrophobicContact CG1-CG2 4.15Å; V279-V290 HydrophobicContact CG2-CB 4.33Å; V279-V290 HydrophobicContact CG2-CG2 3.86Å; V279-Y296 HydrophobicContact CB-CE2 4.3Å; V279-Y296 HydrophobicContact CG2-CD2 4.09Å; V279-Y296 HydrophobicContact CG2-CE2 3.99Å; V279-L299 HydrophobicContact CG2-CD2 3.6Å
280	Y	98	Very high	97.2	Very high	52 Å²	52	29.4 Å²	29.4	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.3	-175.2	-110.6	0	0	0	111.8	E51 F55 Y276 G277 L282 R283 K284	E51-Y280 HydrophobicContact CB-CD2 4.42Å; E51-Y280 HydrophobicContact CB-CE2 3.68Å; F55-Y280 HydrophobicContact CE1-CE2 4.18Å; F55-Y280 HydrophobicContact CE2-CE2 4.3Å; F55-Y280 HydrophobicContact CZ-CD2 4.26Å; F55-Y280 HydrophobicContact CZ-CE1 4.42Å; F55-Y280 AromaticContact CZ-CE2 3.48Å; F55-Y280 HydrophobicContact CZ-CE2 3.48Å; F55-Y280 VanDerWaalsContact CZ-CE2 3.48Å; F55-Y280 AromaticContact CZ-CZ 3.58Å; Y276-Y280 WeakPolarHBondContact O-CB 3.44Å; Y276-Y280 PolarHBondContact O-N 3.43Å; G277-Y280 PolarHBondContact O-N 2.88Å; Y280-L282 PolarHBondContact O-N 3.3Å; Y280-R283 PolarHBondContact O-N 3.4Å; Y280-R283 VanDerWaalsContact O-N 3.11Å; Y280-K284 PolarHBondContact O-N 2.9Å
281	D	97.6	Very high	97.3	Very high	75 Å²	75	28.9 Å²	28.9	40%	0.401	18%	0.179	S	C	.	.	H	α-helix	trans	-69.4	-29.9	177.6	-72.9	-24.1	0	0	0	113.4	G277 L278 K284 Q285	G277-D281 WeakPolarHBondContact O-CB 3.44Å; G277-D281 PolarHBondContact O-N 2.93Å; L278-D281 PolarHBondContact O-N 3.2Å; D281-K284 IonicContact OD1-NZ 2.88Å; D281-K284 PolarHBondContact OD1-NZ 2.94Å; D281-Q285 PolarHBondContact O-NE2 3.49Å; D281-Q285 VanDerWaalsContact O-NE2 3.12Å
282	L	98.5	Very high	97.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-67.1	-39.2	168.4	-73.1	176.5	0	0	0	111.6	I106 A256 L278 V279 Y280 K284 Q285 R286 M289	I106-L282 HydrophobicContact CG2-CD2 3.55Å; A256-L282 HydrophobicContact CB-CD1 3.63Å; L278-L282 WeakPolarHBondContact O-CG 3.46Å; L278-L282 PolarHBondContact O-N 2.95Å; V279-L282 PolarHBondContact O-N 2.74Å; Y280-L282 PolarHBondContact O-N 3.3Å; L282-K284 VanDerWaalsContact C-N 3.3Å; L282-K284 PolarHBondContact O-N 3.13Å; L282-Q285 PolarHBondContact O-N 2.82Å; L282-R286 PolarHBondContact O-N 3.04Å; L282-M289 HydrophobicContact CB-CB 3.93Å; L282-M289 HydrophobicContact CB-CG 4.31Å
283	R	98.3	Very high	97.6	Very high	6 Å²	6	27.4 Å²	27.4	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-26.2	178.1	-76.1	-169.9	-178.7	175.5	5.1	113.7	F45 I48 R49 S52 F55 Y83 V279 Y280 Q285 R286 M289 V290	F45-R283 VanDerWaalsContact CE2-NH2 3.29Å; I48-R283 VanDerWaalsContact CG2-NH1 3.32Å; I48-R283 PolarHBondContact O-NH1 2.77Å; R49-R283 VanDerWaalsContact CA-NH1 3.3Å; S52-R283 PolarHBondContact OG-NH1 3.37Å; F55-R283 HydrophobicContact CE2-CB 4.32Å; Y83-R283 WeakPolarHBondContact CE2-O 3.34Å; Y83-R283 PolarHBondContact OH-O 3Å; V279-R283 WeakPolarHBondContact O-CG 3.17Å; V279-R283 PolarHBondContact O-N 2.85Å; Y280-R283 PolarHBondContact O-N 3.4Å; Y280-R283 VanDerWaalsContact O-N 3.11Å; R283-Q285 PolarHBondContact O-N 3.36Å; R283-R286 WeakPolarHBondContact CA-O 3.39Å; R283-M289 HydrophobicContact CG-CB 4.07Å; R283-M289 PolarHBondContact NE-O 2.64Å; R283-V290 PolarHBondContact NH2-O 3.37Å
284	K	97.8	Very high	97.4	Very high	62 Å²	62	29.6 Å²	29.6	27%	0.27	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.3	166.8	-68	175.4	-172	157.5	0	112.5	F55 F61 Y83 F85 Y280 D281 L282	F55-K284 HydrophobicContact CE1-CG 4.45Å; F55-K284 HydrophobicContact CE2-CG 3.81Å; F55-K284 HydrophobicContact CZ-CG 3.62Å; F61-K284 HydrophobicContact CE1-CB 4.03Å; F61-K284 HydrophobicContact CE1-CG 4.4Å; F61-K284 VanDerWaalsContact CE1-O 3.23Å; F61-K284 WeakPolarHBondContact CE1-O 3.49Å; F61-K284 HydrophobicContact CZ-CB 4.46Å; F61-K284 HydrophobicContact CZ-CG 4.42Å; Y83-K284 WeakPolarHBondContact CE2-O 3.38Å; F85-K284 VanDerWaalsContact CZ-O 3.31Å; F85-K284 WeakPolarHBondContact CZ-O 3.29Å; Y280-K284 PolarHBondContact O-N 2.9Å; D281-K284 IonicContact OD1-NZ 2.88Å; D281-K284 PolarHBondContact OD1-NZ 2.94Å; L282-K284 VanDerWaalsContact C-N 3.3Å; L282-K284 PolarHBondContact O-N 3.13Å
285	Q	98.3	Very high	97.4	Very high	26 Å²	26	27.9 Å²	27.9	12%	0.121	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-26.5	-176.6	-64.7	173.5	77.2	0	0	112.9	N86 I106 D281 L282 R283	N86-Q285 PolarHBondContact ND2-O 3.13Å; N86-Q285 PolarHBondContact OD1-O 2.91Å; I106-Q285 HydrophobicContact CD1-CB 3.57Å; D281-Q285 PolarHBondContact O-NE2 3.49Å; D281-Q285 VanDerWaalsContact O-NE2 3.12Å; L282-Q285 PolarHBondContact O-N 2.82Å; R283-Q285 PolarHBondContact O-N 3.36Å
286	R	98.3	Very high	97.4	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.14	C	C	.	.	S	Bend	trans	-152.1	137.3	171.7	-178.3	172	179.1	79.6	4.1	109.9	N102 S104 I106 A117 A246 G247 L282 R283 M289	N102-R286 PolarHBondContact OD1-NH1 2.93Å; N102-R286 PolarHBondContact OD1-NH2 3.33Å; S104-R286 PolarHBondContact OG-NH1 2.77Å; I106-R286 HydrophobicContact CD1-CB 3.88Å; A117-R286 VanDerWaalsContact CB-CD 3.47Å; A117-R286 PolarHBondContact O-NH1 3.26Å; A246-R286 PolarHBondContact O-NH2 3.09Å; G247-R286 WeakPolarHBondContact O-CD 3.36Å; G247-R286 PolarHBondContact O-NE 2.8Å; L282-R286 PolarHBondContact O-N 3.04Å; R283-R286 WeakPolarHBondContact CA-O 3.39Å; R286-M289 HydrophobicContact CB-CG 3.88Å; R286-M289 HydrophobicContact CB-SD 4.15Å; R286-M289 HydrophobicContact CG-CG 4.39Å; R286-M289 HydrophobicContact CG-SD 4.26Å; R286-M289 WeakPolarHBondContact O-CG 3.48Å
287	P	97.2	Very high	97.2	Very high	21 Å²	21	27.6 Å²	27.6	14%	0.136	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	146.8	-178.4	-26.4	34.2	0	0	0	113.5	L81 Y83 C248 M289	L81-P287 WeakPolarHBondContact O-CD 3.35Å; L81-P287 VanDerWaalsContact O-CG 3.22Å; L81-P287 WeakPolarHBondContact O-CG 3.29Å; Y83-P287 HydrophobicContact CD1-CG 4.18Å; Y83-P287 HydrophobicContact CE1-CG 3.58Å; Y83-P287 HydrophobicContact CE2-CG 4.03Å; Y83-P287 VanDerWaalsContact CZ-CG 3.49Å; C248-P287 PolarHBondContact SG-O 3.28Å; P287-M289 PolarHBondContact O-N 2.64Å
288	A	97.3	Very high	97.1	Very high	33 Å²	33	26.8 Å²	26.8	27%	0.273	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	21.1	168.6	0	0	0	0	0	116.1	C248 V290	C248-A288 HydrophobicContact CB-CB 4.29Å; C248-A288 WeakPolarHBondContact CB-O 3.47Å; A288-V290 CarbonylContact O-C 3.49Å; A288-V290 PolarHBondContact O-N 2.88Å
289	M	98.5	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-53.6	128.3	171.1	-68.2	-68.6	-86.9	0	0	109.7	A117 T251 C255 L282 R283 R286 P287	A117-M289 HydrophobicContact CB-CE 4.26Å; T251-M289 HydrophobicContact CG2-CE 4.42Å; C255-M289 HydrophobicContact CB-CE 4.4Å; L282-M289 HydrophobicContact CB-CB 3.93Å; L282-M289 HydrophobicContact CB-CG 4.31Å; R283-M289 HydrophobicContact CG-CB 4.07Å; R283-M289 PolarHBondContact NE-O 2.64Å; R286-M289 HydrophobicContact CB-CG 3.88Å; R286-M289 HydrophobicContact CB-SD 4.15Å; R286-M289 HydrophobicContact CG-CG 4.39Å; R286-M289 HydrophobicContact CG-SD 4.26Å; R286-M289 WeakPolarHBondContact O-CG 3.48Å; P287-M289 PolarHBondContact O-N 2.64Å
290	V	98	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	56.3	98.6	-163.6	-173.4	0	0	0	0	110.6	F45 C248 V279 R283 A288 Q295 Y296 L299	F45-V290 HydrophobicContact CE2-CG1 4.39Å; F45-V290 WeakPolarHBondContact CE2-O 3.25Å; C248-V290 PolarHBondContact O-N 3.21Å; V279-V290 HydrophobicContact CG1-CB 3.91Å; V279-V290 HydrophobicContact CG1-CG2 4.15Å; V279-V290 HydrophobicContact CG2-CB 4.33Å; V279-V290 HydrophobicContact CG2-CG2 3.86Å; R283-V290 PolarHBondContact NH2-O 3.37Å; A288-V290 CarbonylContact O-C 3.49Å; A288-V290 PolarHBondContact O-N 2.88Å; V290-Q295 HydrophobicContact CG1-CB 3.89Å; V290-Y296 HydrophobicContact CG1-CD2 4.36Å; V290-L299 HydrophobicContact CG2-CD2 4.15Å
291	Q	96.2	Very high	97	Very high	52 Å²	52	27 Å²	27	24%	0.243	14%	0.135	C	C	.	.			trans	-97.4	-21.9	-160.5	-165.9	174.4	15.9	0	0	113.5	F45 H212	F45-Q291 WeakPolarHBondContact CZ-O 3.27Å; H212-Q291 PolarHBondContact CE1-OE1 2.99Å
292	T	95.4	Very high	97	Very high	20 Å²	20	23.4 Å²	23.4	12%	0.123	12%	0.116	C	C	.	.	S	Bend	trans	-125.5	159.4	-179.2	68.6	0	0	0	0	112.1	F45 H212 E294 Q295 Y296	F45-T292 VanDerWaalsContact CE1-C 3.48Å; H212-T292 HydrophobicContact CB-CG2 3.9Å; H212-T292 WeakPolarHBondContact O-CG2 3.22Å; H212-T292 PolarHBondContact O-OG1 3.22Å; T292-E294 WeakPolarHBondContact CB-OE2 3.33Å; T292-E294 PolarHBondContact O-N 2.86Å; T292-Q295 PolarHBondContact O-N 2.83Å; T292-Q295 WeakPolarHBondContact OG1-CG 3.33Å; T292-Q295 PolarHBondContact OG1-N 2.91Å; T292-Y296 PolarHBondContact O-N 3.31Å
293	R	94.5	Very high	97	Very high	81 Å²	81	23.2 Å²	23.2	31%	0.306	12%	0.115	S	C	.	.	H	α-helix	trans	-61.5	-38.2	175.2	178.6	-171	62	170.9	-2.3	110.1	S36 F45 Q295 Y296 V297	S36-R293 PolarHBondContact O-NH1 3.02Å; F45-R293 HydrophobicContact CD1-CB 3.84Å; F45-R293 HydrophobicContact CE1-CB 4.36Å; F45-R293 VanDerWaalsContact CE1-N 3.33Å; F45-R293 HydrophobicContact CG-CB 4.3Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 2.98Å; R293-Y296 CarbonylContact O-C 3.6Å; R293-Y296 WeakPolarHBondContact O-CA 3.33Å; R293-Y296 VanDerWaalsContact O-CB 3.32Å; R293-Y296 WeakPolarHBondContact O-CB 3.2Å; R293-Y296 PolarHBondContact O-N 2.81Å; R293-V297 HydrophobicContact CG-CG2 4.46Å; R293-V297 WeakPolarHBondContact O-CG2 3.42Å; R293-V297 PolarHBondContact O-N 3.33Å
294	E	94.2	Very high	97	Very high	76 Å²	76	24.7 Å²	24.7	36%	0.355	12%	0.121	S	C	.	.	H	α-helix	trans	-62.3	-43	-179.9	-65.4	63.3	-138.6	0	0	110.2	T214 T292 Y296 V297 L298	T214-E294 HydrophobicContact CG2-CB 4.03Å; T214-E294 VanDerWaalsContact CG2-O 3.27Å; T214-E294 WeakPolarHBondContact CG2-O 3.48Å; T292-E294 WeakPolarHBondContact CB-OE2 3.33Å; T292-E294 PolarHBondContact O-N 2.86Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 2.81Å; E294-V297 PolarHBondContact O-N 3.31Å; E294-L298 WeakPolarHBondContact O-CB 3.36Å; E294-L298 PolarHBondContact O-N 3.43Å
295	Q	96.7	Very high	96.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-35.5	172.1	-72.2	168.4	-2	0	0	112.7	V290 T292 R293 L299	V290-Q295 HydrophobicContact CG1-CB 3.89Å; T292-Q295 PolarHBondContact O-N 2.83Å; T292-Q295 WeakPolarHBondContact OG1-CG 3.33Å; T292-Q295 PolarHBondContact OG1-N 2.91Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 2.98Å; Q295-L299 WeakPolarHBondContact O-CB 3.45Å; Q295-L299 PolarHBondContact O-N 2.79Å
296	Y	97.2	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.1	-39.3	176.5	-172.3	-110.6	0	0	0	112.6	Y41 Q44 F45 I48 V275 Y276 V279 V290 T292 R293 E294 L299 H300	Y41-Y296 HydrophobicContact CD1-CD1 4.44Å; Y41-Y296 HydrophobicContact CD1-CE1 4.44Å; Q44-Y296 HydrophobicContact CB-CE1 3.9Å; Q44-Y296 PolarHBondContact OE1-OH 2.95Å; F45-Y296 HydrophobicContact CB-CD1 3.89Å; F45-Y296 HydrophobicContact CB-CE1 4.32Å; F45-Y296 HydrophobicContact CB-CG 4.25Å; F45-Y296 HydrophobicContact CD2-CD1 4.24Å; F45-Y296 HydrophobicContact CD2-CD2 4.05Å; F45-Y296 AromaticContact CD2-CG 3.73Å; F45-Y296 HydrophobicContact CD2-CG 3.73Å; F45-Y296 HydrophobicContact CG-CD1 4.48Å; F45-Y296 HydrophobicContact CG-CG 4.36Å; I48-Y296 HydrophobicContact CD1-CD2 4.23Å; I48-Y296 HydrophobicContact CD1-CE2 3.45Å; I48-Y296 VanDerWaalsContact CD1-CE2 3.45Å; V275-Y296 HydrophobicContact CB-CE2 4.43Å; V275-Y296 HydrophobicContact CG1-CD2 4.21Å; V275-Y296 HydrophobicContact CG1-CE2 3.75Å; Y276-Y296 VanDerWaalsContact CA-OH 3.3Å; Y276-Y296 WeakPolarHBondContact CA-OH 3.49Å; Y276-Y296 PolarHBondContact N-OH 2.76Å; V279-Y296 HydrophobicContact CB-CE2 4.3Å; V279-Y296 HydrophobicContact CG2-CD2 4.09Å; V279-Y296 HydrophobicContact CG2-CE2 3.99Å; V290-Y296 HydrophobicContact CG1-CD2 4.36Å; T292-Y296 PolarHBondContact O-N 3.31Å; R293-Y296 CarbonylContact O-C 3.6Å; R293-Y296 WeakPolarHBondContact O-CA 3.33Å; R293-Y296 VanDerWaalsContact O-CB 3.32Å; R293-Y296 WeakPolarHBondContact O-CB 3.2Å; R293-Y296 PolarHBondContact O-N 2.81Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 2.81Å; Y296-L299 PolarHBondContact O-N 3.43Å; Y296-H300 AromaticContact CD1-CE1 3.88Å; Y296-H300 AromaticContact CE1-CE1 3.37Å; Y296-H300 WeakPolarHBondContact CE1-CE1 3.17Å; Y296-H300 AromaticContact CE2-CE1 3.99Å; Y296-H300 AromaticContact CZ-CE1 3.42Å; Y296-H300 VanDerWaalsContact CZ-CE1 3.42Å; Y296-H300 PolarHBondContact O-N 3.26Å; Y296-H300 PolarHBondContact O-ND1 3.38Å
297	V	94.9	Very high	96.8	Very high	32 Å²	32	23.8 Å²	23.8	19%	0.194	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-48.2	172.4	174.4	0	0	0	0	110.3	Y41 R293 E294 L299 H300 Q301	Y41-V297 HydrophobicContact CD1-CG2 4.2Å; Y41-V297 HydrophobicContact CD2-CG2 3.93Å; Y41-V297 HydrophobicContact CG-CG2 3.72Å; R293-V297 HydrophobicContact CG-CG2 4.46Å; R293-V297 WeakPolarHBondContact O-CG2 3.42Å; R293-V297 PolarHBondContact O-N 3.33Å; E294-V297 PolarHBondContact O-N 3.31Å; V297-L299 PolarHBondContact O-N 3.32Å; V297-H300 WeakPolarHBondContact O-CB 3.48Å; V297-H300 PolarHBondContact O-N 3.48Å; V297-H300 VanDerWaalsContact O-N 3.1Å; V297-Q301 HydrophobicContact CG1-CG 4.35Å; V297-Q301 WeakPolarHBondContact O-CG 3.45Å; V297-Q301 PolarHBondContact O-N 3.22Å
298	L	96.1	Very high	96.7	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-52.8	-43.2	174.7	172.6	70.7	0	0	0	111.3	W209 T214 P215 I218 T253 E294 Q301 S302	W209-L298 HydrophobicContact CH2-CD2 4.18Å; W209-L298 HydrophobicContact CZ2-CD2 3.5Å; T214-L298 HydrophobicContact CG2-CB 3.61Å; T214-L298 HydrophobicContact CG2-CD2 3.87Å; T214-L298 HydrophobicContact CG2-CG 4.21Å; P215-L298 VanDerWaalsContact CD-CD2 3.41Å; P215-L298 HydrophobicContact CG-CD2 4.44Å; I218-L298 HydrophobicContact CD1-CD1 4.33Å; I218-L298 HydrophobicContact CG1-CD1 3.77Å; T253-L298 HydrophobicContact CG2-CD2 4.12Å; E294-L298 WeakPolarHBondContact O-CB 3.36Å; E294-L298 PolarHBondContact O-N 3.43Å; L298-Q301 PolarHBondContact O-N 3Å; L298-S302 VanDerWaalsContact O-CB 3.24Å; L298-S302 WeakPolarHBondContact O-CB 3.34Å; L298-S302 PolarHBondContact O-N 3.15Å; L298-S302 PolarHBondContact O-OG 3.03Å
299	L	98.1	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-44.4	179.4	-178.4	56.6	0	0	0	112	T253 A256 L257 V275 V279 V290 Q295 Y296 V297 S302 I303	T253-L299 HydrophobicContact CG2-CB 4.25Å; T253-L299 HydrophobicContact CG2-CD1 4.42Å; A256-L299 HydrophobicContact CB-CD1 3.73Å; A256-L299 HydrophobicContact CB-CD2 3.51Å; A256-L299 HydrophobicContact CB-CG 4.26Å; L257-L299 HydrophobicContact CB-CD1 4Å; V275-L299 HydrophobicContact CG1-CB 4.34Å; V275-L299 HydrophobicContact CG1-CD2 3.47Å; V275-L299 VanDerWaalsContact CG1-CD2 3.47Å; V275-L299 HydrophobicContact CG1-CG 3.74Å; V279-L299 HydrophobicContact CG2-CD2 3.6Å; V290-L299 HydrophobicContact CG2-CD2 4.15Å; Q295-L299 WeakPolarHBondContact O-CB 3.45Å; Q295-L299 PolarHBondContact O-N 2.79Å; Y296-L299 PolarHBondContact O-N 3.43Å; V297-L299 PolarHBondContact O-N 3.32Å; L299-S302 PolarHBondContact O-N 3.41Å; L299-I303 HydrophobicContact CD1-CD1 3.74Å; L299-I303 HydrophobicContact CD1-CG1 4.09Å; L299-I303 HydrophobicContact CG-CD1 3.92Å; L299-I303 VanDerWaalsContact O-CG1 3.27Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 2.98Å
300	H	97.7	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-49.9	174.7	-77.7	87.9	0	0	0	111.9	V26 K29 Y41 V275 Y296 V297 S302 I303 Y304	V26-H300 HydrophobicContact CG2-CB 4.45Å; K29-H300 PolarHBondContact NZ-NE2 2.99Å; Y41-H300 AromaticContact CD1-CE1 3.91Å; Y41-H300 AromaticContact CD1-ND1 3.89Å; Y41-H300 HydrophobicContact CE1-CB 3.89Å; Y41-H300 AromaticContact CE1-CD2 3.7Å; Y41-H300 AromaticContact CE1-CE1 3.77Å; Y41-H300 AromaticContact CE1-CG 3.49Å; Y41-H300 VanDerWaalsContact CE1-CG 3.49Å; Y41-H300 AromaticContact CE1-ND1 3.57Å; Y41-H300 AromaticContact CE1-NE2 3.87Å; V275-H300 VanDerWaalsContact CB-CE1 3.44Å; V275-H300 WeakPolarHBondContact CB-CE1 3.34Å; V275-H300 WeakPolarHBondContact CB-NE2 3.33Å; V275-H300 VanDerWaalsContact CG2-CD2 3.43Å; V275-H300 WeakPolarHBondContact CG2-CD2 3.44Å; Y296-H300 AromaticContact CD1-CE1 3.88Å; Y296-H300 AromaticContact CE1-CE1 3.37Å; Y296-H300 WeakPolarHBondContact CE1-CE1 3.17Å; Y296-H300 AromaticContact CE2-CE1 3.99Å; Y296-H300 AromaticContact CZ-CE1 3.42Å; Y296-H300 VanDerWaalsContact CZ-CE1 3.42Å; Y296-H300 PolarHBondContact O-N 3.26Å; Y296-H300 PolarHBondContact O-ND1 3.38Å; V297-H300 WeakPolarHBondContact O-CB 3.48Å; V297-H300 PolarHBondContact O-N 3.48Å; V297-H300 VanDerWaalsContact O-N 3.1Å; H300-S302 VanDerWaalsContact C-N 3.31Å; H300-S302 PolarHBondContact O-N 3.17Å; H300-I303 PolarHBondContact O-N 3.32Å; H300-Y304 WeakPolarHBondContact O-CB 3.49Å; H300-Y304 PolarHBondContact O-N 2.92Å
301	Q	96.4	Very high	96.2	Very high	71 Å²	71	30.1 Å²	30.1	33%	0.332	14%	0.135	S	C	.	.	H	α-helix	trans	-64.2	-37.7	-179.2	-65.2	175.3	-26.2	0	0	111.6	I218 V297 L298 Y304 M305	I218-Q301 HydrophobicContact CD1-CB 3.46Å; I218-Q301 VanDerWaalsContact CD1-CB 3.46Å; V297-Q301 HydrophobicContact CG1-CG 4.35Å; V297-Q301 WeakPolarHBondContact O-CG 3.45Å; V297-Q301 PolarHBondContact O-N 3.22Å; L298-Q301 PolarHBondContact O-N 3Å; Q301-Y304 WeakPolarHBondContact O-CB 3.33Å; Q301-Y304 PolarHBondContact O-N 3.33Å; Q301-M305 WeakPolarHBondContact O-CB 3.11Å; Q301-M305 WeakPolarHBondContact O-CG 3.39Å; Q301-M305 PolarHBondContact O-N 3.39Å
302	S	98	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.2	-45.4	177.1	-57.2	0	0	0	0	111.6	L298 L299 H300 M305 L306	L298-S302 VanDerWaalsContact O-CB 3.24Å; L298-S302 WeakPolarHBondContact O-CB 3.34Å; L298-S302 PolarHBondContact O-N 3.15Å; L298-S302 PolarHBondContact O-OG 3.03Å; L299-S302 PolarHBondContact O-N 3.41Å; H300-S302 VanDerWaalsContact C-N 3.31Å; H300-S302 PolarHBondContact O-N 3.17Å; S302-M305 PolarHBondContact O-N 3.2Å; S302-L306 WeakPolarHBondContact O-CB 3.47Å; S302-L306 PolarHBondContact O-N 3.42Å
303	I	98.4	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-40.5	176.4	-65	166.9	0	0	0	110.3	F22 L257 A260 F273 V275 L299 H300 L306 F307	F22-I303 HydrophobicContact CD1-CG2 4.24Å; F22-I303 HydrophobicContact CE1-CB 3.99Å; F22-I303 HydrophobicContact CE1-CG2 3.48Å; F22-I303 VanDerWaalsContact CE1-CG2 3.48Å; F22-I303 HydrophobicContact CE2-CG2 4.35Å; F22-I303 HydrophobicContact CZ-CB 3.89Å; F22-I303 HydrophobicContact CZ-CG2 3.53Å; L257-I303 HydrophobicContact CD1-CG1 3.78Å; A260-I303 HydrophobicContact CB-CD1 3.88Å; A260-I303 HydrophobicContact CB-CG1 3.9Å; A260-I303 HydrophobicContact CB-CG2 4.19Å; F273-I303 HydrophobicContact CE1-CG2 4.22Å; F273-I303 HydrophobicContact CZ-CD1 4.27Å; V275-I303 HydrophobicContact CG2-CD1 3.92Å; L299-I303 HydrophobicContact CD1-CD1 3.74Å; L299-I303 HydrophobicContact CD1-CG1 4.09Å; L299-I303 HydrophobicContact CG-CD1 3.92Å; L299-I303 VanDerWaalsContact O-CG1 3.27Å; L299-I303 WeakPolarHBondContact O-CG1 3.25Å; L299-I303 PolarHBondContact O-N 2.98Å; H300-I303 PolarHBondContact O-N 3.32Å; I303-L306 PolarHBondContact O-N 2.77Å; I303-F307 HydrophobicContact CG2-CD1 4.33Å; I303-F307 HydrophobicContact CG2-CD2 3.76Å; I303-F307 HydrophobicContact CG2-CE1 4.13Å; I303-F307 HydrophobicContact CG2-CE2 3.52Å; I303-F307 HydrophobicContact CG2-CG 4.17Å; I303-F307 HydrophobicContact CG2-CZ 3.73Å; I303-F307 WeakPolarHBondContact O-CB 3.39Å; I303-F307 WeakPolarHBondContact O-CG 3.22Å; I303-F307 PolarHBondContact O-N 2.93Å
304	Y	97.4	Very high	95.5	Very high	37 Å²	37	34.5 Å²	34.5	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-53.4	175.1	176.4	-81.9	0	0	0	111.2	L23 V26 D27 H300 Q301 L306 F307 K308	L23-Y304 HydrophobicContact CB-CD2 4.14Å; L23-Y304 HydrophobicContact CB-CE2 3.88Å; L23-Y304 HydrophobicContact CD2-CD1 4.37Å; L23-Y304 HydrophobicContact CD2-CD2 3.3Å; L23-Y304 HydrophobicContact CD2-CE2 3.67Å; L23-Y304 HydrophobicContact CD2-CG 3.71Å; L23-Y304 WeakPolarHBondContact CD2-O 3.32Å; L23-Y304 HydrophobicContact CG-CD2 4.31Å; L23-Y304 HydrophobicContact CG-CE2 4.34Å; V26-Y304 HydrophobicContact CB-CD2 3.75Å; V26-Y304 HydrophobicContact CB-CE2 4.47Å; V26-Y304 HydrophobicContact CG1-CD2 3.63Å; V26-Y304 HydrophobicContact CG1-CE2 4.4Å; V26-Y304 HydrophobicContact CG1-CG 4.05Å; V26-Y304 HydrophobicContact CG2-CD2 4.49Å; D27-Y304 WeakPolarHBondContact OD1-CE2 3.39Å; D27-Y304 PolarHBondContact OD1-OH 3.49Å; D27-Y304 PolarHBondContact OD2-OH 3.36Å; H300-Y304 WeakPolarHBondContact O-CB 3.49Å; H300-Y304 PolarHBondContact O-N 2.92Å; Q301-Y304 WeakPolarHBondContact O-CB 3.33Å; Q301-Y304 PolarHBondContact O-N 3.33Å; Y304-L306 VanDerWaalsContact C-N 3.32Å; Y304-L306 PolarHBondContact O-N 2.89Å; Y304-F307 PolarHBondContact O-N 3.09Å; Y304-K308 HydrophobicContact CE1-CD 4.23Å; Y304-K308 VanDerWaalsContact O-CB 3.31Å; Y304-K308 WeakPolarHBondContact O-CB 3.47Å; Y304-K308 PolarHBondContact O-N 2.81Å
305	M	96.9	Very high	95.3	Very high	68 Å²	68	34.3 Å²	34.3	34%	0.335	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-38.4	179.5	-73.7	-175.8	66.7	0	0	112	I218 L222 Q301 S302 R309	I218-M305 HydrophobicContact CB-CE 4.38Å; I218-M305 HydrophobicContact CB-SD 3.69Å; I218-M305 HydrophobicContact CD1-SD 3.8Å; I218-M305 HydrophobicContact CG1-SD 4.34Å; I218-M305 HydrophobicContact CG2-CB 4.31Å; I218-M305 HydrophobicContact CG2-CE 4.26Å; I218-M305 HydrophobicContact CG2-CG 4.45Å; I218-M305 HydrophobicContact CG2-SD 3.53Å; I218-M305 VanDerWaalsContact CG2-SD 3.53Å; L222-M305 HydrophobicContact CD1-CB 3.81Å; Q301-M305 WeakPolarHBondContact O-CB 3.11Å; Q301-M305 WeakPolarHBondContact O-CG 3.39Å; Q301-M305 PolarHBondContact O-N 3.39Å; S302-M305 PolarHBondContact O-N 3.2Å; M305-R309 WeakPolarHBondContact O-CB 3.17Å; M305-R309 VanDerWaalsContact O-CG 3.3Å; M305-R309 WeakPolarHBondContact O-CG 3.42Å; M305-R309 PolarHBondContact O-N 2.82Å
306	L	97.4	Very high	94.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-50.8	176.8	-179.3	67.9	0	0	0	111.8	L222 L257 R261 S302 I303 Y304 R309 F310	L222-L306 HydrophobicContact CD1-CB 4.45Å; L222-L306 HydrophobicContact CD2-CB 4.11Å; L222-L306 HydrophobicContact CD2-CD1 4.4Å; L257-L306 HydrophobicContact CD1-CD2 4.1Å; R261-L306 HydrophobicContact CB-CD2 3.73Å; R261-L306 HydrophobicContact CG-CD2 4.23Å; S302-L306 WeakPolarHBondContact O-CB 3.47Å; S302-L306 PolarHBondContact O-N 3.42Å; I303-L306 PolarHBondContact O-N 2.77Å; Y304-L306 VanDerWaalsContact C-N 3.32Å; Y304-L306 PolarHBondContact O-N 2.89Å; L306-R309 WeakPolarHBondContact O-CB 3.19Å; L306-R309 PolarHBondContact O-N 2.93Å; L306-F310 HydrophobicContact CD1-CE1 3.85Å; L306-F310 HydrophobicContact CD1-CE2 3.94Å; L306-F310 HydrophobicContact CD1-CZ 3.44Å; L306-F310 VanDerWaalsContact CD1-CZ 3.44Å; L306-F310 HydrophobicContact CD2-CE2 4.09Å; L306-F310 HydrophobicContact CD2-CZ 4.28Å; L306-F310 HydrophobicContact CG-CD2 4.32Å; L306-F310 HydrophobicContact CG-CE1 4.45Å; L306-F310 HydrophobicContact CG-CE2 3.72Å; L306-F310 HydrophobicContact CG-CZ 3.79Å; L306-F310 WeakPolarHBondContact O-CG 3.3Å; L306-F310 PolarHBondContact O-N 3.34Å
307	F	97	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-38.4	-179.8	-76	-3.9	0	0	0	112.3	V19 F22 L23 A260 F264 L269 F273 I303 Y304 F310 L311	V19-F307 HydrophobicContact CB-CD2 4.47Å; V19-F307 HydrophobicContact CG1-CB 3.68Å; V19-F307 HydrophobicContact CG1-CD2 4.19Å; V19-F307 HydrophobicContact CG1-CG 4.21Å; V19-F307 HydrophobicContact CG2-CB 4.36Å; V19-F307 HydrophobicContact CG2-CD2 3.94Å; V19-F307 HydrophobicContact CG2-CE2 4.35Å; V19-F307 HydrophobicContact CG2-CG 4.07Å; F22-F307 AromaticContact CD1-CD2 3.79Å; F22-F307 HydrophobicContact CD1-CD2 3.79Å; F22-F307 HydrophobicContact CD1-CE2 4.14Å; F22-F307 HydrophobicContact CE1-CD2 4.29Å; F22-F307 HydrophobicContact CG-CD2 4.32Å; F22-F307 HydrophobicContact CG-CE2 4.32Å; L23-F307 HydrophobicContact CD2-CB 4.25Å; A260-F307 HydrophobicContact CB-CE1 4.47Å; A260-F307 HydrophobicContact CB-CZ 4.25Å; F264-F307 HydrophobicContact CB-CD1 4.46Å; F264-F307 HydrophobicContact CB-CE1 3.93Å; F264-F307 HydrophobicContact CD2-CD1 4.4Å; L269-F307 HydrophobicContact CD1-CE2 4.25Å; L269-F307 HydrophobicContact CD1-CZ 3.89Å; L269-F307 HydrophobicContact CD2-CE2 3.89Å; L269-F307 HydrophobicContact CD2-CZ 3.89Å; F273-F307 HydrophobicContact CD1-CE2 4.37Å; F273-F307 HydrophobicContact CE1-CE2 4.13Å; F273-F307 HydrophobicContact CE1-CZ 4.33Å; I303-F307 HydrophobicContact CG2-CD1 4.33Å; I303-F307 HydrophobicContact CG2-CD2 3.76Å; I303-F307 HydrophobicContact CG2-CE1 4.13Å; I303-F307 HydrophobicContact CG2-CE2 3.52Å; I303-F307 HydrophobicContact CG2-CG 4.17Å; I303-F307 HydrophobicContact CG2-CZ 3.73Å; I303-F307 WeakPolarHBondContact O-CB 3.39Å; I303-F307 WeakPolarHBondContact O-CG 3.22Å; I303-F307 PolarHBondContact O-N 2.93Å; Y304-F307 PolarHBondContact O-N 3.09Å; F307-F310 HydrophobicContact CD1-CD2 4.21Å; F307-F310 PolarHBondContact O-N 2.94Å; F307-F310 VanDerWaalsContact O-N 3.14Å; F307-L311 PolarHBondContact O-N 2.86Å
308	K	95.4	Very high	92.8	Very high	83 Å²	83	39.9 Å²	39.9	36%	0.361	22%	0.22	S	C	.	.	H	α-helix	trans	-58.2	-49.5	171.4	-174.4	176.6	179.4	176.5	0	111.3	Y304 F310 L311 D312 V318	Y304-K308 HydrophobicContact CE1-CD 4.23Å; Y304-K308 VanDerWaalsContact O-CB 3.31Å; Y304-K308 WeakPolarHBondContact O-CB 3.47Å; Y304-K308 PolarHBondContact O-N 2.81Å; K308-F310 PolarHBondContact O-N 2.8Å; K308-L311 PolarHBondContact O-N 3.09Å; K308-L311 VanDerWaalsContact O-N 3.15Å; K308-D312 WeakPolarHBondContact O-CB 2.9Å; K308-D312 PolarHBondContact O-N 3.07Å; K308-V318 HydrophobicContact CG-CG2 4.42Å
309	R	94.8	Very high	91.5	Very high	90 Å²	90	47.2 Å²	47.2	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-55.1	-37.4	174.4	-76.4	177	179.1	-163.7	-1	112	D223 M305 L306 V313	D223-R309 IonicContact OD1-CZ 3.49Å; D223-R309 IonicContact OD1-NH1 3.89Å; D223-R309 PolarHBondContact OD1-NH1 3.27Å; D223-R309 IonicContact OD1-NH2 3.68Å; M305-R309 WeakPolarHBondContact O-CB 3.17Å; M305-R309 VanDerWaalsContact O-CG 3.3Å; M305-R309 WeakPolarHBondContact O-CG 3.42Å; M305-R309 PolarHBondContact O-N 2.82Å; L306-R309 WeakPolarHBondContact O-CB 3.19Å; L306-R309 PolarHBondContact O-N 2.93Å; R309-V313 WeakPolarHBondContact O-CG2 3.45Å; R309-V313 PolarHBondContact O-N 2.82Å
310	F	94	Very high	89.7	Confident	14 Å²	14	50.1 Å²	50.1	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-41	178	-67.2	-20.2	0	0	0	113.6	R261 F264 L306 F307 K308 F314	R261-F310 HydrophobicContact CG-CE2 4.19Å; R261-F310 HydrophobicContact CG-CZ 3.88Å; F264-F310 HydrophobicContact CB-CD2 4.09Å; F264-F310 HydrophobicContact CB-CE2 4.15Å; F264-F310 HydrophobicContact CD1-CB 4.16Å; F264-F310 AromaticContact CD1-CD2 3.22Å; F264-F310 HydrophobicContact CD1-CD2 3.22Å; F264-F310 AromaticContact CD1-CE2 3.72Å; F264-F310 HydrophobicContact CD1-CE2 3.72Å; F264-F310 AromaticContact CD1-CG 3.88Å; F264-F310 HydrophobicContact CD1-CG 3.88Å; F264-F310 AromaticContact CD2-CD2 3.97Å; F264-F310 HydrophobicContact CD2-CD2 3.97Å; F264-F310 HydrophobicContact CE1-CB 3.57Å; F264-F310 AromaticContact CE1-CD2 3.56Å; F264-F310 HydrophobicContact CE1-CD2 3.56Å; F264-F310 HydrophobicContact CE1-CE2 4.39Å; F264-F310 AromaticContact CE1-CG 3.72Å; F264-F310 HydrophobicContact CE1-CG 3.72Å; F264-F310 HydrophobicContact CE2-CB 3.95Å; F264-F310 HydrophobicContact CE2-CD2 4.24Å; F264-F310 AromaticContact CG-CD2 3.47Å; F264-F310 HydrophobicContact CG-CD2 3.47Å; F264-F310 VanDerWaalsContact CG-CD2 3.47Å; F264-F310 AromaticContact CG-CE2 3.98Å; F264-F310 HydrophobicContact CG-CE2 3.98Å; F264-F310 HydrophobicContact CG-CG 4.41Å; F264-F310 HydrophobicContact CZ-CB 3.45Å; F264-F310 VanDerWaalsContact CZ-CB 3.45Å; F264-F310 HydrophobicContact CZ-CD2 4.06Å; F264-F310 HydrophobicContact CZ-CG 4.1Å; L306-F310 HydrophobicContact CD1-CE1 3.85Å; L306-F310 HydrophobicContact CD1-CE2 3.94Å; L306-F310 HydrophobicContact CD1-CZ 3.44Å; L306-F310 VanDerWaalsContact CD1-CZ 3.44Å; L306-F310 HydrophobicContact CD2-CE2 4.09Å; L306-F310 HydrophobicContact CD2-CZ 4.28Å; L306-F310 HydrophobicContact CG-CD2 4.32Å; L306-F310 HydrophobicContact CG-CE1 4.45Å; L306-F310 HydrophobicContact CG-CE2 3.72Å; L306-F310 HydrophobicContact CG-CZ 3.79Å; L306-F310 WeakPolarHBondContact O-CG 3.3Å; L306-F310 PolarHBondContact O-N 3.34Å; F307-F310 HydrophobicContact CD1-CD2 4.21Å; F307-F310 PolarHBondContact O-N 2.94Å; F307-F310 VanDerWaalsContact O-N 3.14Å; K308-F310 PolarHBondContact O-N 2.8Å; F310-F314 WeakPolarHBondContact O-CD2 3.41Å
311	L	93.3	Very high	87.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-40.6	174.4	-68.1	-171.9	0	0	0	111.9	I16 V19 Q20 L23 F307 K308 V313 F314 G315 L316	I16-L311 HydrophobicContact CG1-CD2 4.44Å; V19-L311 HydrophobicContact CB-CD1 4.41Å; V19-L311 HydrophobicContact CG1-CD1 3.57Å; V19-L311 HydrophobicContact CG1-CD2 4.32Å; V19-L311 HydrophobicContact CG1-CG 3.86Å; Q20-L311 HydrophobicContact CG-CD1 4.23Å; L23-L311 HydrophobicContact CD1-CD1 4.14Å; F307-L311 PolarHBondContact O-N 2.86Å; K308-L311 PolarHBondContact O-N 3.09Å; K308-L311 VanDerWaalsContact O-N 3.15Å; L311-V313 PolarHBondContact O-N 2.79Å; L311-F314 CarbonylContact O-C 3.58Å; L311-F314 PolarHBondContact O-N 2.97Å; L311-G315 PolarHBondContact O-N 3.3Å; L311-L316 HydrophobicContact CB-CB 4.09Å; L311-L316 HydrophobicContact CD2-CB 4.22Å; L311-L316 HydrophobicContact CD2-CD1 4.03Å; L311-L316 PolarHBondContact O-N 2.95Å; L311-L316 VanDerWaalsContact O-N 3.1Å
312	D	92.5	Very high	85.4	Confident	92 Å²	92	54.8 Å²	54.8	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-34.7	179.7	-70.2	-20.5	0	0	0	112	K308 F314 G315	K308-D312 WeakPolarHBondContact O-CB 2.9Å; K308-D312 PolarHBondContact O-N 3.07Å; D312-F314 PolarHBondContact O-N 2.86Å; D312-G315 PolarHBondContact O-N 2.88Å
313	V	90.3	Very high	82.9	Confident	99 Å²	99	58.9 Å²	58.9	60%	0.6	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28	175.3	167.5	0	0	0	0	112.5	R309 L311	R309-V313 WeakPolarHBondContact O-CG2 3.45Å; R309-V313 PolarHBondContact O-N 2.82Å; L311-V313 PolarHBondContact O-N 2.79Å
314	F	89.7	Confident	80.6	Confident	54 Å²	54	61.1 Å²	61.1	24%	0.237	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.3	178.9	-58.6	-77	0	0	0	113	T8 A9 E10 P11 F310 L311 D312 L316	T8-F314 WeakPolarHBondContact O-CE1 3.32Å; A9-F314 VanDerWaalsContact O-CZ 3.23Å; A9-F314 WeakPolarHBondContact O-CZ 3.3Å; E10-F314 VanDerWaalsContact CA-CE1 3.41Å; E10-F314 HydrophobicContact CB-CD1 3.93Å; E10-F314 HydrophobicContact CB-CE1 4.05Å; E10-F314 HydrophobicContact CG-CB 4.41Å; E10-F314 HydrophobicContact CG-CD1 3.95Å; E10-F314 HydrophobicContact CG-CG 4.2Å; P11-F314 VanDerWaalsContact CD-CE2 3.46Å; P11-F314 HydrophobicContact CG-CD2 4.24Å; P11-F314 HydrophobicContact CG-CE2 4.37Å; F310-F314 WeakPolarHBondContact O-CD2 3.41Å; L311-F314 CarbonylContact O-C 3.58Å; L311-F314 PolarHBondContact O-N 2.97Å; D312-F314 PolarHBondContact O-N 2.86Å; F314-L316 HydrophobicContact CB-CD1 3.92Å; F314-L316 HydrophobicContact CB-CG 3.94Å; F314-L316 PolarHBondContact O-N 3.33Å
315	G	88.8	Confident	78.1	Confident	71 Å²	71	61.9 Å²	61.9	73%	0.732	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	22.1	-176.6	0	0	0	0	0	113.9	L311 D312	L311-G315 PolarHBondContact O-N 3.3Å; D312-G315 PolarHBondContact O-N 2.88Å
316	L	87.3	Confident	75.5	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.209	39%	0.385	C	S	.	.			trans	-87.8	133.7	-179.6	-62.8	172.1	0	0	0	110.1	P11 I16 L311 F314	P11-L316 HydrophobicContact CG-CD1 4.28Å; I16-L316 HydrophobicContact CD1-CD1 3.54Å; I16-L316 HydrophobicContact CG1-CD1 3.84Å; L311-L316 HydrophobicContact CB-CB 4.09Å; L311-L316 HydrophobicContact CD2-CB 4.22Å; L311-L316 HydrophobicContact CD2-CD1 4.03Å; L311-L316 PolarHBondContact O-N 2.95Å; L311-L316 VanDerWaalsContact O-N 3.1Å; F314-L316 HydrophobicContact CB-CD1 3.92Å; F314-L316 HydrophobicContact CB-CG 3.94Å; F314-L316 PolarHBondContact O-N 3.33Å
317	S	77.3	Confident	73.2	Confident	70 Å²	70	65 Å²	65	49%	0.49	42%	0.415	S	S	.	.			trans	-84.8	159.6	-179.8	69.9	0	0	0	0	112.6	Q20 E319	Q20-S317 PolarHBondContact NE2-O 3Å; S317-E319 PolarHBondContact O-N 2.91Å
318	V	71.7	Confident	70.8	Confident	41 Å²	41	70 Å²	70	25%	0.248	45%	0.45	C	S	.	.	S	Bend	trans	-70.3	-19.3	174.1	-177.2	0	0	0	0	111.8	L23 K308 M320	L23-V318 HydrophobicContact CB-CG1 3.79Å; L23-V318 HydrophobicContact CD1-CB 4.28Å; L23-V318 HydrophobicContact CD1-CG1 3.75Å; L23-V318 HydrophobicContact CD1-CG2 3.91Å; L23-V318 HydrophobicContact CG-CG1 4.42Å; K308-V318 HydrophobicContact CG-CG2 4.42Å; V318-M320 PolarHBondContact O-N 2.81Å
319	E	69.4	Low	68.3	Low	160 Å²	160	71.2 Å²	71.2	75%	0.748	47%	0.465	S	S	*	.			trans	-73	115.7	-176.1	-66.6	-175.7	180	0	0	111.7	Q20 S317	Q20-E319 PolarHBondContact NE2-O 3.29Å; S317-E319 PolarHBondContact O-N 2.91Å
320	M	60	Low	65.6	Low	60 Å²	60	72.3 Å²	72.3	30%	0.296	48%	0.482	S	S	.	.			trans	-55.9	130	167	-80.4	-83.2	-61.4	0	0	109.9	Q20 V318 A322 A324	Q20-M320 HydrophobicContact CB-CG 4.03Å; Q20-M320 HydrophobicContact CB-SD 3.88Å; V318-M320 PolarHBondContact O-N 2.81Å; M320-A322 PolarHBondContact O-N 2.91Å; M320-A324 HydrophobicContact CE-CB 3.33Å
321	P	54.1	Low	63.1	Low	83 Å²	83	79.5 Å²	79.5	54%	0.539	52%	0.521	S	S	.	.			trans	-54.9	129.2	169.9	-21.4	30.9	0	0	0	109.8	A323 A324	P321-A323 PolarHBondContact O-N 3.34Å; P321-A324 PolarHBondContact O-N 2.92Å
322	A	48.7	Very low	60.4	Low	86 Å²	86	87.7 Å²	87.7	71%	0.711	57%	0.565	S	S	*	*	H	α-helix	trans	-49.4	-26	-172.7	0	0	0	0	0	114.9	M320 A324	M320-A322 PolarHBondContact O-N 2.91Å; A322-A324 VanDerWaalsContact C-N 3.31Å; A322-A324 PolarHBondContact O-N 3.47Å
323	A	46.5	Very low	57.9	Low	87 Å²	87	86.7 Å²	86.7	72%	0.719	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-28.6	177.8	0	0	0	0	0	114.3	P321	P321-A323 PolarHBondContact O-N 3.34Å
324	A	49.5	Very low	55.5	Low	46 Å²	46	88.1 Å²	88.1	38%	0.38	59%	0.59	S	S	.	*	H	α-helix	trans	-89.9	-23.2	-178.2	0	0	0	0	0	113.3	M320 P321 A322 A326 A327	M320-A324 HydrophobicContact CE-CB 3.33Å; P321-A324 PolarHBondContact O-N 2.92Å; A322-A324 VanDerWaalsContact C-N 3.31Å; A322-A324 PolarHBondContact O-N 3.47Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-A327 PolarHBondContact O-N 3.34Å
325	A	45.4	Very low	52.8	Low	53 Å²	53	89 Å²	89	44%	0.438	61%	0.614	S	S	.	*	H	α-helix	trans	-67.7	-33.7	172.1	0	0	0	0	0	112.4	A327 S328 T329	A325-A327 VanDerWaalsContact C-N 3.3Å; A325-A327 PolarHBondContact O-N 3.43Å; A325-S328 PolarHBondContact O-OG 2.86Å; A325-T329 PolarHBondContact O-OG1 3.29Å
326	A	42.2	Very low	50.3	Low	57 Å²	57	94.8 Å²	94.8	47%	0.471	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-68.9	-26.2	179.3	0	0	0	0	0	113.5	A324 T329	A324-A326 VanDerWaalsContact C-N 3.34Å; A326-T329 PolarHBondContact O-OG1 3.26Å
327	A	48.2	Very low	47.6	Very low	79 Å²	79	101.9 Å²	101.9	65%	0.653	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-78.3	-17.4	-175.9	0	0	0	0	0	114.1	A324 A325	A324-A327 PolarHBondContact O-N 3.34Å; A325-A327 VanDerWaalsContact C-N 3.3Å; A325-A327 PolarHBondContact O-N 3.43Å
328	S	47.9	Very low	45.8	Very low	104 Å²	104	105 Å²	105	73%	0.727	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-90.1	-9.1	175.8	63.1	0	0	0	0	113.9	A325	A325-S328 PolarHBondContact O-OG 2.86Å
329	T	41.9	Very low	43.9	Very low	109 Å²	109	112.8 Å²	112.8	67%	0.669	70%	0.701	S	S	*	*	S	Bend	trans	-109.4	8	-172.6	31.3	0	0	0	0	114.9	A325 A326	A325-T329 PolarHBondContact O-OG1 3.29Å; A326-T329 PolarHBondContact O-OG1 3.26Å
330	T	39.4	Very low	42.5	Very low	113 Å²	113	113 Å²	113	69%	0.693	71%	0.708	S	S	*	*			trans	-112.4	71	176.9	58	0	0	0	0	111.1
331	N	40.9	Very low	41.1	Very low	165 Å²	165	115 Å²	115	88%	0.882	73%	0.733	S	S	*	*			trans	-153.1	51.8	160.4	-142.8	24.7	0	0	0	111.4
332	D	37.6	Very low	40	Very low	173 Å²	173	115.3 Å²	115.3	93%	0.925	74%	0.743	S	S	*	*			trans	-134.1	106.5	166.1	-98	-31.1	0	0	0	108
333	G	38.1	Very low	39.1	Very low	70 Å²	70	116 Å²	116	72%	0.722	75%	0.749	S	S	*	*			trans	174.4	92.1	-177	0	0	0	0	0	114.4
334	S	40	Very low	38.4	Very low	129 Å²	129	123.9 Å²	123.9	90%	0.902	76%	0.76	S	S	*	*			trans	69	128.2	151.9	66.6	0	0	0	0	120.4
335	G	34.9	Very low	37.6	Very low	72 Å²	72	129 Å²	129	74%	0.742	78%	0.781	S	S	*	*			trans	121.7	98.2	134.6	0	0	0	0	0	117.5
336	E	34.9	Very low	36.9	Very low	194 Å²	194	134.9 Å²	134.9	91%	0.907	80%	0.8	S	S	*	*			trans	92.3	121.6	132.9	-143	147.5	-157.9	0	0	119.6
337	Q	31.8	Very low	36.3	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.883	81%	0.814	S	S	*	*			trans	-74.3	119.8	176.4	-69.6	173.2	-11.3	0	0	110.3
338	T	39.2	Very low	35.4	Very low	136 Å²	136	139.2 Å²	139.2	83%	0.834	81%	0.812	S	S	*	*			trans	-140.3	121.6	152.1	39.1	0	0	0	0	109.7
339	K	32.2	Very low	34.6	Very low	203 Å²	203	140.2 Å²	140.2	88%	0.883	81%	0.814	S	S	*	*			trans	-66.6	124.2	162.9	-69.5	171.9	174.3	176.6	0	106.6
340	D	38.4	Very low	33.9	Very low	166 Å²	166	142.5 Å²	142.5	89%	0.888	82%	0.817	S	S	*	*			trans	-166.4	138.7	140.5	-93.5	-29.3	0	0	0	111.4
341	A	30.7	Very low	33.4	Very low	100 Å²	100	143 Å²	143	83%	0.826	82%	0.82	S	S	*	*			trans	-70.6	136.5	177.1	0	0	0	0	0	110.6
342	A	31.5	Very low	32.8	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	81%	0.811	S	S	*	*			trans	163	135.2	137.4	0	0	0	0	0	110.8
343	A	30.2	Very low	32.5	Very low	101 Å²	101	136.9 Å²	136.9	84%	0.835	80%	0.795	S	S	*	*			trans	52.4	100.2	147.6	0	0	0	0	0	117.6
344	R	32.1	Very low	32.1	Very low	251 Å²	251	137 Å²	137	95%	0.947	79%	0.789	S	S	*	*			trans	-121.3	113.3	153.3	-85.6	-175.8	176.2	169.6	-0	110.5	E346	R344-E346 PolarHBondContact O-N 2.86Å
345	N	32.2	Very low	31.6	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	78%	0.777	S	S	*	*			trans	-33.5	113.6	165.8	-88.6	-15.1	0	0	0	112.8	T347	N345-T347 PolarHBondContact O-N 3.32Å; N345-T347 VanDerWaalsContact O-N 3.15Å
346	E	30.5	Very low	31.6	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	76%	0.762	S	S	*	*			trans	-58.9	107	149.4	-69.3	175.4	159.1	0	0	107.6	R344 T348	R344-E346 PolarHBondContact O-N 2.86Å; E346-T348 VanDerWaalsContact C-N 3.27Å; E346-T348 PolarHBondContact O-N 3.05Å
347	T	29.9	Very low	31.4	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	76%	0.755	S	S	*	*			trans	-96.6	72.6	161.3	-41.6	0	0	0	0	106.5	N345 T349	N345-T347 PolarHBondContact O-N 3.32Å; N345-T347 VanDerWaalsContact O-N 3.15Å; T347-T349 PolarHBondContact O-N 3.27Å
348	T	30	Very low	31.3	Very low	101 Å²	101	125.7 Å²	125.7	62%	0.62	75%	0.748	S	S	*	*			trans	-67.4	104.2	167.5	-22.3	0	0	0	0	106.2	E346 E350	E346-T348 VanDerWaalsContact C-N 3.27Å; E346-T348 PolarHBondContact O-N 3.05Å; T348-E350 PolarHBondContact O-N 2.82Å
349	T	29.6	Very low	30.9	Very low	126 Å²	126	123.5 Å²	123.5	77%	0.773	74%	0.739	S	S	*	*			trans	-67.6	89.8	157	37.5	0	0	0	0	106.4	T347 V351	T347-T349 PolarHBondContact O-N 3.27Å; T349-V351 VanDerWaalsContact C-N 3.28Å; T349-V351 PolarHBondContact O-N 2.69Å
350	E	27.5	Very low	30.8	Very low	156 Å²	156	118.2 Å²	118.2	73%	0.729	73%	0.732	S	S	*	*			trans	-56.5	94.8	165.1	-76.6	-175.5	156.7	0	0	108	T348 T352	T348-E350 PolarHBondContact O-N 2.82Å; E350-T352 PolarHBondContact O-N 3.07Å
351	V	30.2	Very low	30.4	Very low	124 Å²	124	118.1 Å²	118.1	75%	0.752	72%	0.724	S	S	*	*			trans	-71.1	88.3	152.3	-179.4	0	0	0	0	104.5	T349 T353	T349-V351 VanDerWaalsContact C-N 3.28Å; T349-V351 PolarHBondContact O-N 2.69Å; V351-T353 PolarHBondContact O-N 2.85Å
352	T	27.6	Very low	30.2	Very low	114 Å²	114	117.7 Å²	117.7	70%	0.699	71%	0.714	S	S	*	*			trans	-56.8	104.7	168.8	7.5	0	0	0	0	106.5	E350 A354	E350-T352 PolarHBondContact O-N 3.07Å; T352-A354 PolarHBondContact O-N 2.83Å
353	T	31.5	Very low	30.1	Very low	96 Å²	96	119 Å²	119	59%	0.589	71%	0.709	S	S	*	*			trans	-65.4	84.5	159.6	46.7	0	0	0	0	106.1	V351	V351-T353 PolarHBondContact O-N 2.85Å
354	A	28.9	Very low	30.1	Very low	71 Å²	71	122 Å²	122	59%	0.587	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57	128.4	165.2	0	0	0	0	0	106.6	T352	T352-A354 PolarHBondContact O-N 2.83Å
355	P	30.6	Very low	29.9	Very low	100 Å²	100	115 Å²	115	65%	0.649	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-56.1	144.3	170.2	26.5	-32.2	0	0	0	107	A357	P355-A357 PolarHBondContact O-N 3.06Å
356	P	33.9	Very low	29.8	Very low	65 Å²	65	112.4 Å²	112.4	42%	0.422	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-52.8	120.4	176.3	23	-31.1	0	0	0	106.7	A358	P356-A358 PolarHBondContact O-N 2.79Å
357	A	30.3	Very low	29.8	Very low	92 Å²	92	112.2 Å²	112.2	76%	0.76	70%	0.704	S	S	*	*			trans	-44.6	123.8	-178.9	0	0	0	0	0	108.3	P355 S359	P355-A357 PolarHBondContact O-N 3.06Å; A357-S359 PolarHBondContact O-N 2.83Å
358	A	30.4	Very low	29.8	Very low	91 Å²	91	117.7 Å²	117.7	75%	0.752	71%	0.71	S	S	*	*	S	Bend	trans	-36.1	116.9	178.9	0	0	0	0	0	109.9	P356	P356-A358 PolarHBondContact O-N 2.79Å
359	S	31.4	Very low	30	Very low	90 Å²	90	121.2 Å²	121.2	63%	0.629	72%	0.72	S	S	*	*			trans	40.6	108.3	166.5	54.7	0	0	0	0	115.1	A357 K361	A357-S359 PolarHBondContact O-N 2.83Å; S359-K361 PolarHBondContact O-N 2.84Å
360	A	29.7	Very low	30.2	Very low	91 Å²	91	122.2 Å²	122.2	75%	0.752	72%	0.72	S	S	*	*			trans	-54.1	97.1	141.8	0	0	0	0	0	106.7	C362	A360-C362 PolarHBondContact O-N 3.25Å
361	K	29.5	Very low	30.6	Very low	165 Å²	165	119.9 Å²	119.9	72%	0.717	73%	0.727	S	S	*	*			trans	-57.3	87.8	158.9	-80.2	-176.1	174.3	-176.9	0	105.5	S359 D363	S359-K361 PolarHBondContact O-N 2.84Å; K361-D363 PolarHBondContact O-N 3.38Å
362	C	27.1	Very low	30.7	Very low	90 Å²	90	119.4 Å²	119.4	61%	0.608	73%	0.729	S	S	*	*			trans	-72.6	69.5	155.3	-121.9	0	0	0	0	105.9	A360	A360-C362 PolarHBondContact O-N 3.25Å
363	D	29.8	Very low	31.1	Very low	120 Å²	120	121.4 Å²	121.4	64%	0.642	74%	0.735	S	S	*	*			trans	-89.6	118	165	-76.9	-30.8	0	0	0	106.9	K361 A365	K361-D363 PolarHBondContact O-N 3.38Å; D363-A365 PolarHBondContact O-N 3.45Å
364	N	29.3	Very low	31.4	Very low	164 Å²	164	121.2 Å²	121.2	88%	0.877	74%	0.737	S	S	*	*			trans	-50	114	176.8	-95.6	-30.2	0	0	0	111.8
365	A	28.7	Very low	31.7	Very low	104 Å²	104	125.3 Å²	125.3	86%	0.86	75%	0.749	S	S	*	*			trans	-119.6	69.2	163.6	0	0	0	0	0	109.7	D363	D363-A365 PolarHBondContact O-N 3.45Å
366	S	30.2	Very low	32	Very low	98 Å²	98	125 Å²	125	69%	0.685	76%	0.755	S	S	*	*			trans	-148.9	58.6	167.2	71.5	0	0	0	0	111.9
367	L	30.2	Very low	32.2	Very low	173 Å²	173	127.7 Å²	127.7	91%	0.906	78%	0.776	S	S	*	*			trans	-144.7	85.1	162.8	-88.9	169.5	0	0	0	109
368	R	29.8	Very low	32.8	Very low	240 Å²	240	129 Å²	129	91%	0.906	78%	0.776	S	S	*	*			trans	-146.4	102.2	156.4	-76.8	-165.7	179	-168	-0	108.2
369	Q	34.2	Very low	33.2	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.822	78%	0.781	S	S	*	*				171	130.4	126.1	-93.7	171.7	-5.7	0	0	111.5
370	N	34	Very low	33.6	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	79%	0.788	S	S	*	*			trans	79.3	102	151.6	-53.4	-16.5	0	0	0	118.8
371	A	35.5	Very low	33.9	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	78%	0.783	S	S	*	*				173.7	139.1	97.1	0	0	0	0	0	111.6
372	C	32.3	Very low	34.4	Very low	115 Å²	115	139.8 Å²	139.8	78%	0.777	78%	0.784	S	S	*	*			trans	-75.7	163.7	-175.1	-65.5	0	0	0	0	115.2
373	N	35.6	Very low	34.8	Very low	156 Å²	156	143.1 Å²	143.1	83%	0.834	79%	0.794	S	S	*	*			trans	69.5	137.7	153.6	-68.6	-3.4	0	0	0	117.3
374	S	37.6	Very low	35.1	Very low	91 Å²	91	141.8 Å²	141.8	64%	0.636	80%	0.8	S	S	*	*			cis	-177	149.2	-0.4	44.1	0	0	0	0	107.9
375	N	36.2	Very low	35.4	Very low	157 Å²	157	141 Å²	141	84%	0.84	80%	0.796	S	S	*	*			trans	85	123.3	148.4	-63.9	-13.5	0	0	0	122.7
376	A	36.7	Very low	35.8	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	80%	0.796	S	S	*	*			trans	94.8	82.8	135.4	0	0	0	0	0	119.9
377	S	38.4	Very low	36.2	Very low	122 Å²	122	145 Å²	145	85%	0.853	80%	0.799	S	S	*	*				43	153.9	111.4	-60.3	0	0	0	0	124.1
378	P	42.1	Very low	36.4	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	79%	0.793	S	S	*	*			trans	-128	166.7	-141.4	41.1	-24.4	0	0	0	116
379	E	39	Very low	36.9	Very low	181 Å²	181	142.5 Å²	142.5	85%	0.846	79%	0.794	S	S	*	*			trans	-155.8	154.6	165.7	-79	-164.9	139.5	0	0	108.6
380	R	38.8	Very low	37	Very low	206 Å²	206	143.8 Å²	143.8	78%	0.777	80%	0.797	S	S	*	*			cis	176	145.3	-24.2	-145.4	-176.7	-163.8	-177.6	4.3	104.7
381	N	37.9	Very low	37	Very low	122 Å²	122	140.6 Å²	140.6	65%	0.652	80%	0.799	S	S	*	*			trans	62.7	154.7	152.9	-77.2	13.2	0	0	0	118.9
382	E	38.8	Very low	37	Very low	156 Å²	156	144.7 Å²	144.7	73%	0.729	80%	0.8	S	S	*	*			cis	-167.1	133.7	15.7	-115.1	151.5	-148.6	0	0	106.2
383	L	35	Very low	37.3	Very low	159 Å²	159	144.7 Å²	144.7	83%	0.832	80%	0.801	S	S	*	*				58.1	112.1	97.4	-100.5	144.5	0	0	0	118.1
384	A	37.7	Very low	37.2	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	80%	0.799	S	S	*	*			trans	179.8	107	139.5	0	0	0	0	0	110
385	N	35.1	Very low	37.2	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	81%	0.808	S	S	*	*				58.4	119.1	99.1	-78.4	-12.3	0	0	0	116.1
386	T	37.6	Very low	37	Very low	142 Å²	142	143.3 Å²	143.3	87%	0.871	81%	0.805	S	S	*	*				179.4	133	106.1	-61.4	0	0	0	0	110.7
387	I	37.8	Very low	37.1	Very low	145 Å²	145	146.2 Å²	146.2	74%	0.744	81%	0.807	S	S	*	*			trans	-98	145.1	-179.9	-76.3	170.7	0	0	0	110.7
388	D	34.2	Very low	36.9	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	81%	0.806	S	S	*	*			trans	40	123.2	156.8	-69.5	-34.1	0	0	0	122.1
389	K	40.9	Very low	36.7	Very low	214 Å²	214	148.5 Å²	148.5	93%	0.93	81%	0.808	S	S	*	*				-144.9	131	125	-81.5	-162.8	178.8	171.4	0	112.6
390	K	36.1	Very low	36.4	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	81%	0.809	S	S	*	*			trans	-35.4	147.5	169.6	-67.1	176	169.8	-171.8	0	116.8
391	G	34.8	Very low	36.3	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	79%	0.793	S	S	*	*			trans	-160	96.4	155.3	0	0	0	0	0	110.3
392	E	33.8	Very low	36.2	Very low	193 Å²	193	144.6 Å²	144.6	90%	0.902	80%	0.802	S	S	*	*			trans	-75.2	131.4	164.6	-77.6	163.3	130.9	0	0	109.4
393	S	38.6	Very low	36	Very low	115 Å²	115	142 Å²	142	80%	0.804	80%	0.8	S	S	*	*			trans	-157.9	115.3	149	62.3	0	0	0	0	109.5
394	A	33.2	Very low	35.9	Very low	96 Å²	96	142.6 Å²	142.6	79%	0.793	80%	0.799	S	S	*	*			trans	-66.4	142.5	170.3	0	0	0	0	0	111.2
395	V	37.6	Very low	35.9	Very low	133 Å²	133	146.6 Å²	146.6	81%	0.806	80%	0.802	S	S	*	*			trans	-143.6	115.6	154.3	-178.8	0	0	0	0	106.8
396	D	33.6	Very low	35.9	Very low	145 Å²	145	148.4 Å²	148.4	78%	0.775	81%	0.805	S	S	*	*			trans	-59.7	143.8	165.2	-67.6	-56.8	0	0	0	110.3
397	D	38.7	Very low	35.7	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	80%	0.802	S	S	*	*			trans	-155.1	126.5	147.7	-94.4	-35	0	0	0	110.5
398	D	33.9	Very low	35.6	Very low	153 Å²	153	150.5 Å²	150.5	82%	0.818	81%	0.809	S	S	*	*			trans	-59.7	139.4	-177.3	-68.2	-63	0	0	0	113.8
399	V	37.3	Very low	35.6	Very low	136 Å²	136	151.8 Å²	151.8	82%	0.824	81%	0.81	S	S	*	*			trans	-133	93.1	156.4	-177.1	0	0	0	0	108.7	S401	V399-S401 PolarHBondContact O-N 3.22Å
400	E	33.9	Very low	35.1	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	80%	0.803	S	S	*	*			trans	-56.8	128.1	160.2	-84.2	179.4	144.3	0	0	109.6
401	S	36.9	Very low	35.1	Very low	64 Å²	64	143.2 Å²	143.2	45%	0.448	80%	0.802	S	S	.	*			trans	-123.6	99	165.3	47.9	0	0	0	0	107.9	R78 V399 S403	R78-S401 PolarHBondContact NH2-OG 2.77Å; V399-S401 PolarHBondContact O-N 3.22Å; S401-S403 PolarHBondContact O-N 2.96Å
402	E	34.1	Very low	35	Very low	179 Å²	179	146.1 Å²	146.1	84%	0.836	81%	0.807	S	S	*	*			trans	-63	113.8	171	-72.7	-174.8	137.7	0	0	110
403	S	35.8	Very low	35.2	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	80%	0.799	S	S	*	*			trans	-91.5	107.3	162.5	60.5	0	0	0	0	108.8	S401 H405	S401-S403 PolarHBondContact O-N 2.96Å; S403-H405 PolarHBondContact O-N 2.8Å
404	Q	33.3	Very low	35.1	Very low	173 Å²	173	141.1 Å²	141.1	81%	0.808	80%	0.8	S	S	*	*			trans	-81.7	106.8	165.9	-71.3	-163	-15	0	0	109.3
405	H	36.7	Very low	35.3	Very low	177 Å²	177	143.5 Å²	143.5	82%	0.819	81%	0.805	S	S	*	*			trans	-87.3	104.6	160.2	-99.5	16.8	0	0	0	108.1	S403 K407	S403-H405 PolarHBondContact O-N 2.8Å; H405-K407 PolarHBondContact O-N 2.94Å
406	E	34.6	Very low	35.5	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	80%	0.804	S	S	*	*			trans	-81.2	104.3	161.6	-100.4	-176.9	149.1	0	0	109.3	V408	E406-V408 PolarHBondContact O-N 3.19Å
407	K	33.9	Very low	35.9	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	80%	0.802	S	S	*	*			trans	-70.9	114.9	162.1	-85	175.7	172.5	176	0	108.6	H405 Q409	H405-K407 PolarHBondContact O-N 2.94Å; K407-Q409 PolarHBondContact O-N 3.12Å
408	V	35.8	Very low	36	Very low	145 Å²	145	143 Å²	143	88%	0.879	80%	0.804	S	S	*	*			trans	-79.2	100.6	161.9	179.8	0	0	0	0	107.7	E406	E406-V408 PolarHBondContact O-N 3.19Å
409	Q	33.9	Very low	36.3	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	80%	0.8	S	S	*	*			trans	-87.6	127	164.5	-93.6	177.9	-52.4	0	0	109.4	K407	K407-Q409 PolarHBondContact O-N 3.12Å
410	S	31.6	Very low	36.8	Very low	111 Å²	111	143 Å²	143	78%	0.776	80%	0.804	S	S	*	*			trans	-70.7	140	165.6	63.9	0	0	0	0	110.3
411	C	34.6	Very low	37.1	Very low	127 Å²	127	142 Å²	142	86%	0.858	80%	0.8	S	S	*	*			trans	-141.6	108.6	160.4	-85.8	0	0	0	0	108.4
412	C	34.3	Very low	37.6	Very low	140 Å²	140	146.8 Å²	146.8	95%	0.946	82%	0.819	S	S	*	*			trans	-67.4	137.6	159.6	-69.6	0	0	0	0	109.2
413	G	36.6	Very low	38.1	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	81%	0.808	S	S	*	*			trans	-173.1	85.2	175.2	0	0	0	0	0	111.8
414	T	36.1	Very low	38.4	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	81%	0.813	S	S	*	*			trans	-44.9	137.5	167.4	28.5	0	0	0	0	114.5
415	T	38.7	Very low	39.4	Very low	146 Å²	146	147.7 Å²	147.7	90%	0.896	84%	0.838	S	S	*	*			trans	-166.2	137	133.3	20.7	0	0	0	0	109.9
416	V	41.3	Very low	39.6	Very low	132 Å²	132	146.3 Å²	146.3	80%	0.8	84%	0.839	S	S	*	*			trans	-114.4	-179.6	-176.1	-155.4	0	0	0	0	108.1
417	P	43	Very low	39.9	Very low	112 Å²	112	144.3 Å²	144.3	73%	0.727	84%	0.838	S	S	*	*				-121.2	177	-97.5	40.6	-23.2	0	0	0	114.3
418	M	39.1	Very low	40.2	Very low	178 Å²	178	141.9 Å²	141.9	88%	0.877	84%	0.839	S	S	*	*			trans	-143.2	107.7	154.9	-83.6	-176	-178.5	0	0	108.2
419	T	41	Very low	40.4	Very low	119 Å²	119	141.8 Å²	141.8	73%	0.73	84%	0.837	S	S	*	*				40.9	114.8	104.1	25.4	0	0	0	0	116.2
420	D	46.7	Very low	40.8	Very low	170 Å²	170	139.9 Å²	139.9	91%	0.909	84%	0.839	S	S	*	*				-157.6	136.7	122.1	-103	-24.2	0	0	0	112.3
421	Q	41.2	Very low	41.5	Very low	164 Å²	164	141.8 Å²	141.8	77%	0.766	84%	0.843	S	S	*	*			trans	-81.6	163	177.7	-67.9	176.6	-39.1	0	0	111.4
422	I	48	Very low	42	Very low	164 Å²	164	142.9 Å²	142.9	84%	0.841	84%	0.842	S	S	*	*			trans	162.6	103.2	144.9	-79.5	149.1	0	0	0	104.1
423	V	44.2	Very low	42.5	Very low	102 Å²	102	143.1 Å²	143.1	62%	0.618	83%	0.834	S	S	*	*				71.4	113.3	53.8	-174	0	0	0	0	114.9
424	N	41.6	Very low	43	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	84%	0.842	S	S	*	*			trans	69.7	124.3	162.5	-58.9	-18.4	0	0	0	116.6
425	V	55.6	Low	43.7	Very low	218 Å²	218	150.5 Å²	150.5	100%	1.321	85%	0.845	S	S	*	*			cis	-137	0	49.4	171.8	0	0	0	0	112.1

Retrieved 425 of 425 residues in 298.3 ms (Link to these results)

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