A0A077ZN80_TRITR Loading...

DnaJ CXXCXGXG and DnaJ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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	44.4	Very low	44	Very low	244 Å²	244	165.5 Å²	165.5	100%	1.202	86%	0.856	S	S	*	*				0	121.9	0	-81.4	175.5	169.9	0	0	107.9	T3	M1-T3 PolarHBondContact O-N 3.48Å
2	L	45	Very low	43.3	Very low	179 Å²	179	161.6 Å²	161.6	94%	0.937	85%	0.845	S	S	*	*			trans	-75.9	111.8	-177.2	-74	154.8	0	0	0	110	R4	L2-R4 PolarHBondContact O-N 2.85Å
3	T	42.9	Very low	42.8	Very low	139 Å²	139	161.3 Å²	161.3	85%	0.853	84%	0.843	S	S	*	*			trans	-79	112.7	172.5	37.4	0	0	0	0	110.1	M1	M1-T3 PolarHBondContact O-N 3.48Å
4	R	45.2	Very low	42.5	Very low	220 Å²	220	161.6 Å²	161.6	83%	0.83	84%	0.838	S	S	*	*			trans	-87.5	116	170.1	-79.6	-179	133.8	-179.1	-4.2	109.8	L2 F6	L2-R4 PolarHBondContact O-N 2.85Å; R4-F6 PolarHBondContact O-N 3.48Å
5	T	49.2	Very low	43	Very low	133 Å²	133	156.3 Å²	156.3	82%	0.816	83%	0.827	S	S	*	*			trans	-70.1	114.5	165.1	10.4	0	0	0	0	109	H7	T5-H7 PolarHBondContact O-N 2.92Å
6	F	45.8	Very low	43.9	Very low	192 Å²	192	158 Å²	158	84%	0.842	82%	0.819	S	S	*	*			trans	-76.4	109.7	169.2	-69.3	-84.2	0	0	0	108.4	R4 L8	R4-F6 PolarHBondContact O-N 3.48Å; F6-L8 PolarHBondContact O-N 2.9Å
7	H	47.1	Very low	45.3	Very low	176 Å²	176	155.2 Å²	155.2	82%	0.815	80%	0.799	S	S	*	*			trans	-63.9	112.3	164.7	-94.6	-88.5	0	0	0	108.5	T5 S9	T5-H7 PolarHBondContact O-N 2.92Å; H7-S9 VanDerWaalsContact C-N 3.25Å; H7-S9 PolarHBondContact O-N 2.99Å
8	L	41.2	Very low	47.6	Very low	176 Å²	176	149.2 Å²	149.2	92%	0.921	77%	0.768	S	S	*	*			trans	-65.2	92.9	153.5	-82.1	141.7	0	0	0	106.5	F6	F6-L8 PolarHBondContact O-N 2.9Å
9	S	39.7	Very low	49.8	Very low	90 Å²	90	143.1 Å²	143.1	63%	0.629	74%	0.735	S	S	*	*			trans	-65.4	135.1	168.7	49	0	0	0	0	108.5	H7 F11	H7-S9 VanDerWaalsContact C-N 3.25Å; H7-S9 PolarHBondContact O-N 2.99Å; S9-F11 PolarHBondContact O-N 3.17Å
10	A	44.2	Very low	51.8	Low	98 Å²	98	136.3 Å²	136.3	81%	0.81	70%	0.699	S	S	*	*			trans	-68	50.8	-175.1	0	0	0	0	0	113.7	V12	A10-V12 PolarHBondContact O-N 3.48Å
11	F	39.4	Very low	53.6	Low	173 Å²	173	136.8 Å²	136.8	76%	0.759	70%	0.699	S	S	*	*			trans	-78.1	0.6	177.1	-127.1	-87.5	0	0	0	113.1	S9	S9-F11 PolarHBondContact O-N 3.17Å
12	V	36.1	Very low	55.7	Low	119 Å²	119	126.6 Å²	126.6	72%	0.721	65%	0.65	S	S	*	*	S	Bend	trans	-78.9	118.3	174.6	179	0	0	0	0	108.3	A10	A10-V12 PolarHBondContact O-N 3.48Å
13	L	35.7	Very low	57.8	Low	158 Å²	158	118.4 Å²	118.4	83%	0.827	61%	0.608	S	S	*	*			trans	69.5	57	166.7	-61.7	159.7	0	0	0	116.8	A15	L13-A15 PolarHBondContact O-N 2.79Å
14	Q	39.5	Very low	59.9	Low	166 Å²	166	115 Å²	115	78%	0.776	60%	0.6	S	S	*	*			trans	-65	100.8	143.2	-98.4	165.9	-41.3	0	0	106.6	R16	Q14-R16 PolarHBondContact O-N 2.77Å
15	A	49.2	Very low	62	Low	81 Å²	81	105.6 Å²	105.6	67%	0.669	57%	0.566	S	S	*	*			trans	-39.7	110.7	171.4	0	0	0	0	0	107.9	L13 K17	L13-A15 PolarHBondContact O-N 2.79Å; A15-K17 PolarHBondContact O-N 3.1Å
16	R	57.3	Low	63.8	Low	184 Å²	184	103.1 Å²	103.1	69%	0.694	55%	0.552	S	S	*	*			trans	-58.8	112.1	176.2	-69.6	-175.9	-176.3	148.9	0.9	105.1	Q14 D18	Q14-R16 PolarHBondContact O-N 2.77Å; R16-D18 PolarHBondContact O-N 2.92Å
17	K	68.2	Low	65.7	Low	111 Å²	111	98.8 Å²	98.8	48%	0.483	53%	0.53	S	S	.	.			trans	-70.2	127.2	178.5	-67.3	178.4	172.8	-177.2	0	106.8	A15 Y19 V22 E62	A15-K17 PolarHBondContact O-N 3.1Å; K17-Y19 PolarHBondContact O-N 3.49Å; K17-V22 HydrophobicContact CB-CG2 3.77Å; K17-V22 HydrophobicContact CD-CG2 4.44Å; K17-E62 IonicContact NZ-OE1 2.83Å; K17-E62 PolarHBondContact NZ-OE1 3.18Å; K17-E62 IonicContact NZ-OE2 2.78Å; K17-E62 PolarHBondContact NZ-OE2 3.41Å
18	D	86.8	Confident	67.5	Low	46 Å²	46	97 Å²	97	25%	0.246	53%	0.527	C	S	.	.			trans	-64.5	122.5	175	-75.8	-42.4	0	0	0	108.9	R16 Y20 E21 V22 R27 Y79	R16-D18 PolarHBondContact O-N 2.92Å; D18-Y20 PolarHBondContact O-N 3.34Å; D18-E21 HydrophobicContact CB-CB 4.12Å; D18-E21 HydrophobicContact CB-CG 3.78Å; D18-E21 WeakPolarHBondContact O-CA 3.49Å; D18-E21 WeakPolarHBondContact O-CB 3.46Å; D18-E21 PolarHBondContact O-N 3.4Å; D18-V22 WeakPolarHBondContact O-CG2 3.39Å; D18-V22 PolarHBondContact O-N 2.98Å; D18-R27 IonicContact OD1-NH2 2.62Å; D18-Y79 WeakPolarHBondContact CA-OH 3.28Å; D18-Y79 PolarHBondContact OD1-OH 3.31Å
19	Y	88.9	Confident	69.6	Low	34 Å²	34	88.8 Å²	88.8	13%	0.133	48%	0.484	C	S	.	.	H	α-helix	trans	-62.6	-29.4	-174.7	-67.8	-45.4	0	0	0	112	K17 V22 L23 E65 A66 I69 Y79	K17-Y19 PolarHBondContact O-N 3.49Å; Y19-V22 PolarHBondContact O-N 3.17Å; Y19-L23 PolarHBondContact O-N 3.14Å; Y19-L23 VanDerWaalsContact O-N 3.13Å; Y19-E65 HydrophobicContact CE1-CG 3.92Å; Y19-E65 PolarHBondContact OH-OE1 2.83Å; Y19-A66 VanDerWaalsContact CD1-CA 3.48Å; Y19-A66 HydrophobicContact CD1-CB 3.67Å; Y19-A66 HydrophobicContact CG-CB 4.05Å; Y19-I69 HydrophobicContact CD2-CB 4Å; Y19-I69 HydrophobicContact CD2-CG1 4.26Å; Y19-I69 HydrophobicContact CD2-CG2 3.99Å; Y19-I69 HydrophobicContact CE2-CB 3.91Å; Y19-I69 HydrophobicContact CE2-CG1 3.68Å; Y19-I69 HydrophobicContact CE2-CG2 3.95Å; Y19-Y79 HydrophobicContact CD2-CD1 4.21Å; Y19-Y79 AromaticContact CD2-CD2 3.59Å; Y19-Y79 HydrophobicContact CD2-CD2 3.59Å; Y19-Y79 AromaticContact CD2-CE1 3.89Å; Y19-Y79 HydrophobicContact CD2-CE1 3.89Å; Y19-Y79 AromaticContact CD2-CE2 3.24Å; Y19-Y79 HydrophobicContact CD2-CE2 3.24Å; Y19-Y79 HydrophobicContact CD2-CG 4.06Å; Y19-Y79 AromaticContact CD2-CZ 3.41Å; Y19-Y79 VanDerWaalsContact CD2-CZ 3.41Å; Y19-Y79 AromaticContact CE2-CD2 3.62Å; Y19-Y79 HydrophobicContact CE2-CD2 3.62Å; Y19-Y79 AromaticContact CE2-CE2 3.44Å; Y19-Y79 HydrophobicContact CE2-CE2 3.44Å; Y19-Y79 VanDerWaalsContact CE2-CE2 3.44Å; Y19-Y79 HydrophobicContact CE2-CG 4.41Å; Y19-Y79 HydrophobicContact CG-CE2 4.22Å; Y19-Y79 PolarHBondContact N-OH 2.95Å
20	Y	90.3	Very high	71.7	Confident	6 Å²	6	87 Å²	87	2%	0.024	47%	0.472	C	S	.	.	H	α-helix	trans	-65.7	-38.6	172.7	-65.3	-79.8	0	0	0	112.2	D18 G24 I25 R27 L70 R76 Y79 D80	D18-Y20 PolarHBondContact O-N 3.34Å; Y20-G24 PolarHBondContact O-N 3.35Å; Y20-I25 HydrophobicContact CD1-CD1 4.22Å; Y20-I25 HydrophobicContact CD1-CG1 4.16Å; Y20-I25 PolarHBondContact O-N 2.89Å; Y20-R27 HydrophobicContact CD1-CB 4.44Å; Y20-R27 HydrophobicContact CD1-CG 4.21Å; Y20-R27 HydrophobicContact CD2-CG 3.81Å; Y20-R27 HydrophobicContact CE1-CB 4.36Å; Y20-R27 HydrophobicContact CE1-CG 4.45Å; Y20-R27 HydrophobicContact CE2-CG 4.05Å; Y20-R27 VanDerWaalsContact CE2-NH1 3.29Å; Y20-R27 HydrophobicContact CG-CG 3.88Å; Y20-L70 HydrophobicContact CD1-CD1 4.13Å; Y20-L70 HydrophobicContact CD1-CD2 4.37Å; Y20-L70 HydrophobicContact CD2-CD2 4.36Å; Y20-L70 HydrophobicContact CE1-CD1 4.28Å; Y20-L70 HydrophobicContact CE1-CD2 3.79Å; Y20-L70 HydrophobicContact CE2-CD2 3.8Å; Y20-L70 HydrophobicContact CG-CD1 4.38Å; Y20-L70 VanDerWaalsContact CZ-CD2 3.5Å; Y20-R76 PolarHBondContact OH-NE 2.89Å; Y20-Y79 AromaticContact CD2-CE1 4Å; Y20-Y79 HydrophobicContact CD2-CE1 4Å; Y20-Y79 HydrophobicContact CE2-CD1 4.09Å; Y20-Y79 AromaticContact CE2-CE1 3.77Å; Y20-Y79 HydrophobicContact CE2-CE1 3.77Å; Y20-D80 VanDerWaalsContact CE2-OD1 3.31Å; Y20-D80 WeakPolarHBondContact CE2-OD1 3.46Å; Y20-D80 PolarHBondContact OH-OD1 2.94Å; Y20-D80 PolarHBondContact OH-OD2 3.19Å
21	E	89.5	Confident	73.6	Confident	148 Å²	148	84.9 Å²	84.9	69%	0.692	45%	0.445	S	S	*	.	H	α-helix	trans	-71	-38.4	175.4	-65.1	-172.1	162.5	0	0	111.9	D18 L23 G24	D18-E21 HydrophobicContact CB-CB 4.12Å; D18-E21 HydrophobicContact CB-CG 3.78Å; D18-E21 WeakPolarHBondContact O-CA 3.49Å; D18-E21 WeakPolarHBondContact O-CB 3.46Å; D18-E21 PolarHBondContact O-N 3.4Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 2.72Å; E21-G24 PolarHBondContact O-N 2.79Å; E21-G24 VanDerWaalsContact O-N 3.11Å
22	V	88.5	Confident	75.6	Confident	29 Å²	29	80.1 Å²	80.1	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-59.8	-40.7	176	174.7	0	0	0	0	111.2	K17 D18 Y19 L41 E62 V63 A66	K17-V22 HydrophobicContact CB-CG2 3.77Å; K17-V22 HydrophobicContact CD-CG2 4.44Å; D18-V22 WeakPolarHBondContact O-CG2 3.39Å; D18-V22 PolarHBondContact O-N 2.98Å; Y19-V22 PolarHBondContact O-N 3.17Å; V22-L41 WeakPolarHBondContact O-CD1 3.45Å; V22-E62 HydrophobicContact CG1-CB 4.06Å; V22-V63 HydrophobicContact CG1-CG2 4Å; V22-A66 HydrophobicContact CB-CB 4.12Å; V22-A66 HydrophobicContact CG1-CB 3.95Å
23	L	88.3	Confident	78	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-84	-12.8	176.4	-69.9	-175.6	0	0	0	113.8	Y19 E21 I25 I34 A37 L41 V63 A66 L70	Y19-L23 PolarHBondContact O-N 3.14Å; Y19-L23 VanDerWaalsContact O-N 3.13Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 2.72Å; L23-I25 VanDerWaalsContact C-N 3.34Å; L23-I25 HydrophobicContact CB-CD1 3.97Å; L23-I25 HydrophobicContact CB-CG1 3.76Å; L23-I25 HydrophobicContact CD1-CD1 3.93Å; L23-I34 HydrophobicContact CD1-CG2 4Å; L23-A37 HydrophobicContact CB-CB 4.24Å; L23-A37 WeakPolarHBondContact O-CB 3.47Å; L23-L41 HydrophobicContact CD2-CD1 4Å; L23-V63 HydrophobicContact CD2-CG1 3.99Å; L23-A66 HydrophobicContact CD1-CB 4.31Å; L23-A66 HydrophobicContact CD2-CB 4.3Å; L23-A66 HydrophobicContact CG-CB 3.89Å; L23-L70 HydrophobicContact CD1-CD1 3.79Å
24	G	87.7	Confident	80.5	Confident	68 Å²	68	70.3 Å²	70.3	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	32.2	-176.9	0	0	0	0	0	113.6	Y20 E21	Y20-G24 PolarHBondContact O-N 3.35Å; E21-G24 PolarHBondContact O-N 2.79Å; E21-G24 VanDerWaalsContact O-N 3.11Å
25	I	88.8	Confident	82.7	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.108	34%	0.344	C	S	.	.			trans	-118.1	150.4	-177.6	54.6	172.1	0	0	0	111.2	Y20 L23 A29 I34 A37 L70	Y20-I25 HydrophobicContact CD1-CD1 4.22Å; Y20-I25 HydrophobicContact CD1-CG1 4.16Å; Y20-I25 PolarHBondContact O-N 2.89Å; L23-I25 VanDerWaalsContact C-N 3.34Å; L23-I25 HydrophobicContact CB-CD1 3.97Å; L23-I25 HydrophobicContact CB-CG1 3.76Å; L23-I25 HydrophobicContact CD1-CD1 3.93Å; I25-A29 HydrophobicContact CB-CB 4.03Å; I25-A29 HydrophobicContact CD1-CB 4.1Å; I25-A29 HydrophobicContact CG1-CB 4.46Å; I25-I34 HydrophobicContact CD1-CB 4.18Å; I25-I34 HydrophobicContact CD1-CG1 3.42Å; I25-I34 VanDerWaalsContact CD1-CG1 3.42Å; I25-A37 HydrophobicContact CG2-CB 3.43Å; I25-A37 VanDerWaalsContact CG2-CB 3.43Å; I25-L70 HydrophobicContact CD1-CD1 4.28Å
26	P	88	Confident	84.3	Confident	81 Å²	81	64.4 Å²	64.4	53%	0.526	33%	0.325	S	S	.	.			trans	-73.1	156	174.8	33.2	-37.3	0	0	0	111.3	N28 A29	P26-N28 WeakPolarHBondContact CB-OD1 3.2Å; P26-N28 WeakPolarHBondContact CG-OD1 3.29Å; P26-N28 PolarHBondContact O-N 3.13Å; P26-N28 VanDerWaalsContact O-N 3.11Å; P26-A29 HydrophobicContact CG-CB 4.31Å; P26-A29 WeakPolarHBondContact O-CB 3.42Å; P26-A29 PolarHBondContact O-N 2.87Å
27	R	85.1	Confident	85.8	Confident	101 Å²	101	56 Å²	56	38%	0.381	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.1	-179.9	-68.3	-177.7	178.1	-78.9	-0.9	114.3	D18 Y20 A29 R76 E83	D18-R27 IonicContact OD1-NH2 2.62Å; Y20-R27 HydrophobicContact CD1-CB 4.44Å; Y20-R27 HydrophobicContact CD1-CG 4.21Å; Y20-R27 HydrophobicContact CD2-CG 3.81Å; Y20-R27 HydrophobicContact CE1-CB 4.36Å; Y20-R27 HydrophobicContact CE1-CG 4.45Å; Y20-R27 HydrophobicContact CE2-CG 4.05Å; Y20-R27 VanDerWaalsContact CE2-NH1 3.29Å; Y20-R27 HydrophobicContact CG-CG 3.88Å; R27-A29 VanDerWaalsContact C-N 3.34Å; R27-R76 PolarHBondContact O-NH2 2.68Å; R27-E83 IonicContact CZ-OE1 3.06Å; R27-E83 VanDerWaalsContact CZ-OE1 3.25Å; R27-E83 IonicContact CZ-OE2 3.55Å; R27-E83 IonicContact NH1-OE1 2.69Å; R27-E83 IonicContact NH1-OE2 3.65Å; R27-E83 PolarHBondContact NH1-OE2 3.47Å; R27-E83 IonicContact NH2-OE1 3.94Å; R27-E83 PolarHBondContact NH2-OE1 3.18Å; R27-E83 IonicContact NH2-OE2 3.68Å; R27-E83 PolarHBondContact NH2-OE2 3.01Å
28	N	86.2	Confident	86.7	Confident	139 Å²	139	50.8 Å²	50.8	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	6.9	175.9	69.3	-16.6	0	0	0	113.7	P26	P26-N28 WeakPolarHBondContact CB-OD1 3.2Å; P26-N28 WeakPolarHBondContact CG-OD1 3.29Å; P26-N28 PolarHBondContact O-N 3.13Å; P26-N28 VanDerWaalsContact O-N 3.11Å
29	A	84.2	Confident	86.6	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.033	28%	0.276	C	S	.	.			trans	-57.9	140.5	-179.1	0	0	0	0	0	112.1	I25 P26 R27 D33 I34 R76	I25-A29 HydrophobicContact CB-CB 4.03Å; I25-A29 HydrophobicContact CD1-CB 4.1Å; I25-A29 HydrophobicContact CG1-CB 4.46Å; P26-A29 HydrophobicContact CG-CB 4.31Å; P26-A29 WeakPolarHBondContact O-CB 3.42Å; P26-A29 PolarHBondContact O-N 2.87Å; R27-A29 VanDerWaalsContact C-N 3.34Å; A29-D33 HydrophobicContact CB-CB 4.04Å; A29-I34 HydrophobicContact CB-CG1 4.38Å; A29-R76 PolarHBondContact O-NH1 3.48Å; A29-R76 PolarHBondContact O-NH2 3.16Å
30	S	84.8	Confident	86.3	Confident	53 Å²	53	54 Å²	54	37%	0.371	29%	0.285	S	S	.	.			trans	-73.6	162.1	174.8	74.2	0	0	0	0	110.8	K32 D33 I34	S30-K32 PolarHBondContact O-N 3.33Å; S30-K32 VanDerWaalsContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.86Å; S30-D33 WeakPolarHBondContact CB-OD2 3.21Å; S30-D33 PolarHBondContact N-OD2 3.28Å; S30-D33 PolarHBondContact O-N 2.81Å; S30-D33 VanDerWaalsContact OG-CG 3.25Å; S30-D33 PolarHBondContact OG-N 2.76Å; S30-D33 PolarHBondContact OG-OD2 2.75Å; S30-I34 PolarHBondContact O-N 2.79Å; S30-I34 VanDerWaalsContact O-N 3.09Å
31	Q	83.8	Confident	86.2	Confident	52 Å²	52	55.4 Å²	55.4	24%	0.243	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-26.1	172.1	-72	-64.4	-18.3	0	0	112.6	K35 L70 S71 E73	Q31-K35 WeakPolarHBondContact O-CB 3.16Å; Q31-K35 WeakPolarHBondContact O-CG 3.47Å; Q31-K35 PolarHBondContact O-N 2.58Å; Q31-L70 PolarHBondContact NE2-O 2.93Å; Q31-L70 VanDerWaalsContact NE2-O 3.16Å; Q31-S71 PolarHBondContact OE1-O 3.45Å; Q31-E73 PolarHBondContact NE2-OE2 3.39Å; Q31-E73 VanDerWaalsContact NE2-OE2 3.12Å
32	K	81.2	Confident	86.1	Confident	73 Å²	73	48.3 Å²	48.3	32%	0.317	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-43.4	174.1	-168.1	-178	178.7	-176	0	111	S30 K35 K36 W137 D141	S30-K32 PolarHBondContact O-N 3.33Å; S30-K32 VanDerWaalsContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.86Å; K32-K35 PolarHBondContact O-N 2.7Å; K32-K36 WeakPolarHBondContact O-CB 3.26Å; K32-K36 PolarHBondContact O-N 3.45Å; K32-W137 HydrophobicContact CB-CH2 4.33Å; K32-W137 HydrophobicContact CB-CZ2 4.1Å; K32-W137 HydrophobicContact CG-CD2 4.32Å; K32-W137 HydrophobicContact CG-CE3 4.23Å; K32-W137 HydrophobicContact CG-CH2 3.64Å; K32-W137 HydrophobicContact CG-CZ2 3.7Å; K32-W137 HydrophobicContact CG-CZ3 3.9Å; K32-W137 WeakPolarHBondContact O-CH2 3.39Å; K32-D141 IonicContact NZ-OD2 2.58Å; K32-D141 PolarHBondContact NZ-OD2 3.49Å
33	D	86.2	Confident	85.9	Confident	72 Å²	72	52.9 Å²	52.9	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-71.4	-40.5	-177.7	-55.1	-45.8	0	0	0	111.8	A29 S30 K35 K36 A37	A29-D33 HydrophobicContact CB-CB 4.04Å; S30-D33 WeakPolarHBondContact CB-OD2 3.21Å; S30-D33 PolarHBondContact N-OD2 3.28Å; S30-D33 PolarHBondContact O-N 2.81Å; S30-D33 VanDerWaalsContact OG-CG 3.25Å; S30-D33 PolarHBondContact OG-N 2.76Å; S30-D33 PolarHBondContact OG-OD2 2.75Å; D33-K35 VanDerWaalsContact C-N 3.32Å; D33-K35 PolarHBondContact O-N 3.01Å; D33-K36 PolarHBondContact O-N 2.93Å; D33-A37 WeakPolarHBondContact O-CB 3.48Å; D33-A37 PolarHBondContact O-N 2.81Å
34	I	87.8	Confident	85.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-47.6	174.8	-66.6	161.4	0	0	0	110.5	L23 I25 A29 S30 A37 Y38 Y67 L70	L23-I34 HydrophobicContact CD1-CG2 4Å; I25-I34 HydrophobicContact CD1-CB 4.18Å; I25-I34 HydrophobicContact CD1-CG1 3.42Å; I25-I34 VanDerWaalsContact CD1-CG1 3.42Å; A29-I34 HydrophobicContact CB-CG1 4.38Å; S30-I34 PolarHBondContact O-N 2.79Å; S30-I34 VanDerWaalsContact O-N 3.09Å; I34-A37 PolarHBondContact O-N 3.47Å; I34-Y38 WeakPolarHBondContact O-CB 3.27Å; I34-Y38 PolarHBondContact O-N 3.11Å; I34-Y67 HydrophobicContact CG2-CD2 3.98Å; I34-Y67 HydrophobicContact CG2-CE2 4.28Å; I34-L70 HydrophobicContact CD1-CB 4.21Å; I34-L70 HydrophobicContact CG2-CB 3.87Å
35	K	85.4	Confident	85.7	Confident	61 Å²	61	57.4 Å²	57.4	27%	0.265	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-41.8	176.6	-77.9	173.7	179.2	-174.2	0	112.6	Q31 K32 D33 Y39 Y67 W137	Q31-K35 WeakPolarHBondContact O-CB 3.16Å; Q31-K35 WeakPolarHBondContact O-CG 3.47Å; Q31-K35 PolarHBondContact O-N 2.58Å; K32-K35 PolarHBondContact O-N 2.7Å; D33-K35 VanDerWaalsContact C-N 3.32Å; D33-K35 PolarHBondContact O-N 3.01Å; K35-Y39 PolarHBondContact O-N 3.47Å; K35-Y67 HydrophobicContact CB-CE2 4.3Å; K35-Y67 WeakPolarHBondContact CE-OH 3.49Å; K35-Y67 HydrophobicContact CG-CE2 3.58Å; K35-Y67 WeakPolarHBondContact CG-OH 3.26Å; K35-W137 HydrophobicContact CB-CH2 3.52Å; K35-W137 HydrophobicContact CB-CZ2 3.52Å; K35-W137 HydrophobicContact CD-CH2 4.46Å; K35-W137 HydrophobicContact CD-CZ2 3.6Å; K35-W137 HydrophobicContact CG-CZ2 4.15Å
36	K	83.5	Confident	85.4	Confident	61 Å²	61	58.4 Å²	58.4	27%	0.265	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-43.5	178.4	-172.7	176.1	-178.2	173.3	0	111.7	K32 D33 Y39 Q40 S145	K32-K36 WeakPolarHBondContact O-CB 3.26Å; K32-K36 PolarHBondContact O-N 3.45Å; D33-K36 PolarHBondContact O-N 2.93Å; K36-Y39 WeakPolarHBondContact O-CB 3.33Å; K36-Y39 PolarHBondContact O-N 2.65Å; K36-Q40 WeakPolarHBondContact O-CG 3.41Å; K36-Q40 PolarHBondContact O-N 3.32Å; K36-Q40 VanDerWaalsContact O-N 3.13Å; K36-S145 PolarHBondContact NZ-OG 3.36Å
37	A	88.4	Confident	84.9	Confident	8 Å²	8	56.5 Å²	56.5	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-45.4	177.8	0	0	0	0	0	111.9	L23 I25 D33 I34 Y39 Q40 L41	L23-A37 HydrophobicContact CB-CB 4.24Å; L23-A37 WeakPolarHBondContact O-CB 3.47Å; I25-A37 HydrophobicContact CG2-CB 3.43Å; I25-A37 VanDerWaalsContact CG2-CB 3.43Å; D33-A37 WeakPolarHBondContact O-CB 3.48Å; D33-A37 PolarHBondContact O-N 2.81Å; I34-A37 PolarHBondContact O-N 3.47Å; A37-Y39 VanDerWaalsContact C-N 3.32Å; A37-Y39 PolarHBondContact O-N 2.93Å; A37-Q40 PolarHBondContact O-N 2.84Å; A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 3.06Å; A37-L41 VanDerWaalsContact O-N 3.08Å
38	Y	88.5	Confident	84.6	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-46.3	172.9	172.9	-106.2	0	0	0	111.6	I34 Q40 L41 A42 V63 Y67 I121 F122	I34-Y38 WeakPolarHBondContact O-CB 3.27Å; I34-Y38 PolarHBondContact O-N 3.11Å; Y38-Q40 VanDerWaalsContact C-N 3.35Å; Y38-Q40 PolarHBondContact O-N 2.95Å; Y38-L41 PolarHBondContact O-N 3.24Å; Y38-A42 HydrophobicContact CE1-CB 4.42Å; Y38-A42 HydrophobicContact CE2-CB 4.29Å; Y38-A42 WeakPolarHBondContact O-CB 3.29Å; Y38-A42 PolarHBondContact O-N 3.22Å; Y38-V63 HydrophobicContact CD2-CG1 3.56Å; Y38-V63 HydrophobicContact CE2-CG1 3.97Å; Y38-Y67 VanDerWaalsContact CB-CD2 3.41Å; Y38-Y67 HydrophobicContact CD1-CD1 4.26Å; Y38-Y67 AromaticContact CD1-CD2 3.97Å; Y38-Y67 HydrophobicContact CD1-CD2 3.97Å; Y38-Y67 HydrophobicContact CD1-CE2 4.23Å; Y38-Y67 AromaticContact CD1-CG 3.96Å; Y38-Y67 HydrophobicContact CD1-CG 3.96Å; Y38-Y67 HydrophobicContact CD2-CD1 4.39Å; Y38-Y67 HydrophobicContact CD2-CD2 4.17Å; Y38-Y67 AromaticContact CD2-CG 3.71Å; Y38-Y67 HydrophobicContact CD2-CG 3.71Å; Y38-Y67 HydrophobicContact CE1-CD1 4.37Å; Y38-Y67 HydrophobicContact CE1-CG 4.45Å; Y38-Y67 HydrophobicContact CE2-CG 4.26Å; Y38-Y67 HydrophobicContact CG-CD1 4.27Å; Y38-Y67 AromaticContact CG-CD2 3.58Å; Y38-Y67 HydrophobicContact CG-CD2 3.58Å; Y38-Y67 HydrophobicContact CG-CE2 4.26Å; Y38-Y67 AromaticContact CG-CG 3.56Å; Y38-Y67 HydrophobicContact CG-CG 3.56Å; Y38-I121 HydrophobicContact CD1-CD1 4.32Å; Y38-I121 HydrophobicContact CE1-CD1 3.61Å; Y38-F122 AromaticContact CE1-CE2 3.83Å; Y38-F122 HydrophobicContact CE1-CE2 3.83Å; Y38-F122 HydrophobicContact CE1-CZ 4.13Å
39	Y	83.1	Confident	84.3	Confident	80 Å²	80	54.8 Å²	54.8	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-55.4	-48.6	178	-174	-95.9	0	0	0	112.8	K35 K36 A37 K43 F122 F142	K35-Y39 PolarHBondContact O-N 3.47Å; K36-Y39 WeakPolarHBondContact O-CB 3.33Å; K36-Y39 PolarHBondContact O-N 2.65Å; A37-Y39 VanDerWaalsContact C-N 3.32Å; A37-Y39 PolarHBondContact O-N 2.93Å; Y39-K43 HydrophobicContact CE1-CD 4.43Å; Y39-K43 WeakPolarHBondContact O-CB 3.36Å; Y39-K43 PolarHBondContact O-N 3.06Å; Y39-F122 HydrophobicContact CD2-CD1 4.38Å; Y39-F122 AromaticContact CD2-CE1 3.23Å; Y39-F122 HydrophobicContact CD2-CE1 3.23Å; Y39-F122 AromaticContact CD2-CZ 3.5Å; Y39-F122 HydrophobicContact CD2-CZ 3.5Å; Y39-F122 VanDerWaalsContact CD2-CZ 3.5Å; Y39-F122 HydrophobicContact CE2-CD1 4.12Å; Y39-F122 AromaticContact CE2-CE1 3.34Å; Y39-F122 HydrophobicContact CE2-CE1 3.34Å; Y39-F122 AromaticContact CE2-CZ 3.96Å; Y39-F122 HydrophobicContact CE2-CZ 3.96Å; Y39-F142 AromaticContact CD1-CE2 3.97Å; Y39-F142 HydrophobicContact CD1-CE2 3.97Å; Y39-F142 AromaticContact CD1-CZ 3.68Å; Y39-F142 HydrophobicContact CD1-CZ 3.68Å; Y39-F142 HydrophobicContact CE1-CE1 4.14Å; Y39-F142 HydrophobicContact CE1-CE2 4.22Å; Y39-F142 AromaticContact CE1-CZ 3.45Å; Y39-F142 HydrophobicContact CE1-CZ 3.45Å; Y39-F142 VanDerWaalsContact CE1-CZ 3.45Å
40	Q	83.2	Confident	84.1	Confident	68 Å²	68	57 Å²	57	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-44	-177	-71.1	176.7	-9	0	0	111.5	K36 A37 Y38 K44	K36-Q40 WeakPolarHBondContact O-CG 3.41Å; K36-Q40 PolarHBondContact O-N 3.32Å; K36-Q40 VanDerWaalsContact O-N 3.13Å; A37-Q40 PolarHBondContact O-N 2.84Å; Y38-Q40 VanDerWaalsContact C-N 3.35Å; Y38-Q40 PolarHBondContact O-N 2.95Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.35Å; Q40-K44 VanDerWaalsContact O-N 3.13Å
41	L	88.9	Confident	83.9	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-74.4	-38.3	-179.2	-65.9	168.6	0	0	0	111.9	V22 L23 A37 Y38 K43 K44 Y45 V63	V22-L41 WeakPolarHBondContact O-CD1 3.45Å; L23-L41 HydrophobicContact CD2-CD1 4Å; A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 3.06Å; A37-L41 VanDerWaalsContact O-N 3.08Å; Y38-L41 PolarHBondContact O-N 3.24Å; L41-K43 PolarHBondContact O-N 2.92Å; L41-K44 PolarHBondContact O-N 2.74Å; L41-Y45 HydrophobicContact CB-CD2 4.33Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE2 3.85Å; L41-Y45 WeakPolarHBondContact O-CB 3.31Å; L41-Y45 VanDerWaalsContact O-CD2 3.24Å; L41-Y45 WeakPolarHBondContact O-CD2 3.39Å; L41-Y45 PolarHBondContact O-N 3.19Å; L41-V63 HydrophobicContact CB-CB 4.39Å; L41-V63 HydrophobicContact CB-CG1 3.67Å; L41-V63 HydrophobicContact CB-CG2 3.81Å; L41-V63 HydrophobicContact CD1-CG1 4.42Å; L41-V63 HydrophobicContact CD1-CG2 3.97Å; L41-V63 HydrophobicContact CG-CG2 4.43Å
42	A	86.6	Confident	83.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-45.4	175	0	0	0	0	0	111.4	Y38 K44 Y45 H46 F60 F118	Y38-A42 HydrophobicContact CE1-CB 4.42Å; Y38-A42 HydrophobicContact CE2-CB 4.29Å; Y38-A42 WeakPolarHBondContact O-CB 3.29Å; Y38-A42 PolarHBondContact O-N 3.22Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3.04Å; A42-Y45 PolarHBondContact O-N 3.37Å; A42-H46 WeakPolarHBondContact O-CA 3.44Å; A42-H46 WeakPolarHBondContact O-CB 3.41Å; A42-H46 PolarHBondContact O-N 3.21Å; A42-F60 HydrophobicContact CB-CD2 4.43Å; A42-F60 HydrophobicContact CB-CE2 3.83Å; A42-F118 HydrophobicContact CB-CD2 4.19Å; A42-F118 HydrophobicContact CB-CE2 4.12Å
43	K	84.9	Confident	83.5	Confident	125 Å²	125	66.6 Å²	66.6	54%	0.543	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-39	175.5	-173.5	176.3	-180	-179.4	0	112	Y39 L41	Y39-K43 HydrophobicContact CE1-CD 4.43Å; Y39-K43 WeakPolarHBondContact O-CB 3.36Å; Y39-K43 PolarHBondContact O-N 3.06Å; L41-K43 PolarHBondContact O-N 2.92Å
44	K	85.6	Confident	83.2	Confident	131 Å²	131	67.9 Å²	67.9	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-69.6	-37.6	-179.9	-173.4	176	-176.6	177.5	0	112.8	Q40 L41 A42 N50	Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.35Å; Q40-K44 VanDerWaalsContact O-N 3.13Å; L41-K44 PolarHBondContact O-N 2.74Å; A42-K44 VanDerWaalsContact C-N 3.33Å; A42-K44 PolarHBondContact O-N 3.04Å; K44-N50 PolarHBondContact O-ND2 3.49Å
45	Y	85.5	Confident	82.9	Confident	40 Å²	40	73.5 Å²	73.5	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-104.9	7.5	-174.9	-62.7	-55.8	0	0	0	114.1	L41 A42 A56 K59	L41-Y45 HydrophobicContact CB-CD2 4.33Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE2 3.85Å; L41-Y45 WeakPolarHBondContact O-CB 3.31Å; L41-Y45 VanDerWaalsContact O-CD2 3.24Å; L41-Y45 WeakPolarHBondContact O-CD2 3.39Å; L41-Y45 PolarHBondContact O-N 3.19Å; A42-Y45 PolarHBondContact O-N 3.37Å; Y45-A56 HydrophobicContact CD1-CB 4.26Å; Y45-K59 HydrophobicContact CD1-CB 3.92Å; Y45-K59 HydrophobicContact CD1-CD 3.96Å; Y45-K59 HydrophobicContact CD2-CB 3.83Å; Y45-K59 HydrophobicContact CE1-CB 4.17Å; Y45-K59 HydrophobicContact CE1-CD 3.4Å; Y45-K59 VanDerWaalsContact CE1-CD 3.4Å; Y45-K59 HydrophobicContact CE1-CG 4.43Å; Y45-K59 HydrophobicContact CE2-CB 4.05Å; Y45-K59 HydrophobicContact CE2-CD 4.06Å; Y45-K59 HydrophobicContact CG-CB 3.77Å; Y45-K59 VanDerWaalsContact CZ-CD 3.46Å
46	H	82.1	Confident	82.8	Confident	42 Å²	42	70.7 Å²	70.7	19%	0.194	35%	0.352	C	S	.	.			trans	-55.9	133	-179.9	-165.1	-91.9	0	0	0	110.7	A42 D48 V49 N50	A42-H46 WeakPolarHBondContact O-CA 3.44Å; A42-H46 WeakPolarHBondContact O-CB 3.41Å; A42-H46 PolarHBondContact O-N 3.21Å; H46-D48 WeakPolarHBondContact ND1-CB 3.43Å; H46-D48 PolarHBondContact ND1-N 3.04Å; H46-D48 VanDerWaalsContact ND1-N 3.14Å; H46-D48 PolarHBondContact O-N 3.18Å; H46-V49 HydrophobicContact CB-CG2 4.23Å; H46-V49 PolarHBondContact O-N 3.44Å; H46-N50 PolarHBondContact O-N 2.84Å; H46-N50 PolarHBondContact O-ND2 2.92Å
47	P	78.6	Confident	82.8	Confident	41 Å²	41	70.2 Å²	70.2	27%	0.266	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.4	-176.6	22.2	-31.9	0	0	0	112.7	V49 N50 K51 E115	P47-V49 VanDerWaalsContact C-N 3.34Å; P47-N50 CarbonylContact O-C 3.53Å; P47-N50 PolarHBondContact O-N 2.76Å; P47-K51 WeakPolarHBondContact O-CA 3.2Å; P47-K51 WeakPolarHBondContact O-CG 3.2Å; P47-K51 PolarHBondContact O-N 3.01Å; P47-K51 VanDerWaalsContact O-N 3.12Å; P47-E115 WeakPolarHBondContact CG-OE1 3.43Å
48	D	78.3	Confident	82.7	Confident	100 Å²	100	76.5 Å²	76.5	54%	0.535	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.3	174.3	-165.6	37.9	0	0	0	113	H46 K51	H46-D48 WeakPolarHBondContact ND1-CB 3.43Å; H46-D48 PolarHBondContact ND1-N 3.04Å; H46-D48 VanDerWaalsContact ND1-N 3.14Å; H46-D48 PolarHBondContact O-N 3.18Å; D48-K51 WeakPolarHBondContact O-CE 3.43Å; D48-K51 WeakPolarHBondContact O-CG 3.4Å; D48-K51 WeakPolarHBondContact OD1-CE 3.37Å; D48-K51 IonicContact OD1-NZ 3.25Å; D48-K51 PolarHBondContact OD1-NZ 2.7Å
49	V	80.7	Confident	82.6	Confident	103 Å²	103	80.1 Å²	80.1	62%	0.624	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-34.8	175.8	-178.9	0	0	0	0	110.5	H46 P47	H46-V49 HydrophobicContact CB-CG2 4.23Å; H46-V49 PolarHBondContact O-N 3.44Å; P47-V49 VanDerWaalsContact C-N 3.34Å
50	N	79.9	Confident	82.8	Confident	50 Å²	50	76.7 Å²	76.7	27%	0.267	39%	0.388	S	S	.	.			trans	-117.2	53.6	-174.1	-56.5	-77.4	0	0	0	112.4	K44 H46 P47 N52 D53 A56	K44-N50 PolarHBondContact O-ND2 3.49Å; H46-N50 PolarHBondContact O-N 2.84Å; H46-N50 PolarHBondContact O-ND2 2.92Å; P47-N50 CarbonylContact O-C 3.53Å; P47-N50 PolarHBondContact O-N 2.76Å; N50-N52 PolarHBondContact O-N 3.43Å; N50-D53 HydrophobicContact CB-CB 4.41Å; N50-D53 PolarHBondContact O-N 3.37Å; N50-A56 HydrophobicContact CB-CB 3.4Å; N50-A56 VanDerWaalsContact CB-CB 3.4Å
51	K	79.4	Confident	83	Confident	151 Å²	151	79.1 Å²	79.1	66%	0.657	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	-175.7	-60.2	-176.6	-172	-167.3	0	114.2	P47 D48	P47-K51 WeakPolarHBondContact O-CA 3.2Å; P47-K51 WeakPolarHBondContact O-CG 3.2Å; P47-K51 PolarHBondContact O-N 3.01Å; P47-K51 VanDerWaalsContact O-N 3.12Å; D48-K51 WeakPolarHBondContact O-CE 3.43Å; D48-K51 WeakPolarHBondContact O-CG 3.4Å; D48-K51 WeakPolarHBondContact OD1-CE 3.37Å; D48-K51 IonicContact OD1-NZ 3.25Å; D48-K51 PolarHBondContact OD1-NZ 2.7Å
52	N	76.8	Confident	83	Confident	161 Å²	161	80.1 Å²	80.1	86%	0.861	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-6.2	-172.5	-59.7	-28.4	0	0	0	114	N50 P54	N50-N52 PolarHBondContact O-N 3.43Å; N52-P54 WeakPolarHBondContact O-CD 3.42Å
53	D	79.4	Confident	83.1	Confident	69 Å²	69	80.3 Å²	80.3	37%	0.369	40%	0.404	S	S	.	.			trans	-106.5	105.2	-176	-172.1	0.4	0	0	0	111.6	N50 Q55 A56	N50-D53 HydrophobicContact CB-CB 4.41Å; N50-D53 PolarHBondContact O-N 3.37Å; D53-Q55 PolarHBondContact O-N 2.71Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.11Å; D53-Q55 VanDerWaalsContact OD1-CB 3.27Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.47Å; D53-Q55 PolarHBondContact OD1-N 3.48Å; D53-A56 HydrophobicContact CB-CB 4.03Å; D53-A56 WeakPolarHBondContact O-CB 3.41Å; D53-A56 PolarHBondContact O-N 3.21Å; D53-A56 VanDerWaalsContact O-N 3.09Å
54	P	79.9	Confident	83.3	Confident	98 Å²	98	74.6 Å²	74.6	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-19.5	175.8	27.6	-34.2	0	0	0	112.8	N52 K58	N52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-K58 PolarHBondContact O-N 2.87Å
55	Q	83	Confident	83.4	Confident	119 Å²	119	71.6 Å²	71.6	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-74.4	-31.1	173.5	-59.3	-163.9	-3.1	0	0	112.2	D53 K58 K59	D53-Q55 PolarHBondContact O-N 2.71Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.11Å; D53-Q55 VanDerWaalsContact OD1-CB 3.27Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.47Å; D53-Q55 PolarHBondContact OD1-N 3.48Å; Q55-K58 PolarHBondContact O-N 3.47Å; Q55-K59 WeakPolarHBondContact O-CG 3.23Å; Q55-K59 PolarHBondContact O-N 2.88Å
56	A	83.4	Confident	83.6	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-42.9	177.2	0	0	0	0	0	111	Y45 N50 D53 K58 K59 F60	Y45-A56 HydrophobicContact CD1-CB 4.26Å; N50-A56 HydrophobicContact CB-CB 3.4Å; N50-A56 VanDerWaalsContact CB-CB 3.4Å; D53-A56 HydrophobicContact CB-CB 4.03Å; D53-A56 WeakPolarHBondContact O-CB 3.41Å; D53-A56 PolarHBondContact O-N 3.21Å; D53-A56 VanDerWaalsContact O-N 3.09Å; A56-K58 VanDerWaalsContact C-N 3.35Å; A56-K58 PolarHBondContact O-N 3.29Å; A56-K59 PolarHBondContact O-N 2.62Å; A56-F60 WeakPolarHBondContact O-CB 3.44Å; A56-F60 PolarHBondContact O-N 2.75Å
57	A	82.5	Confident	84	Confident	52 Å²	52	68.4 Å²	68.4	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-43.5	174.1	0	0	0	0	0	112.4	F60 Q61	A57-F60 PolarHBondContact O-N 3.28Å; A57-Q61 PolarHBondContact O-N 2.99Å
58	K	86.2	Confident	84.4	Confident	139 Å²	139	67.5 Å²	67.5	60%	0.604	35%	0.346	S	S	*	.	H	α-helix	trans	-63.2	-44.1	175.6	-70.7	-177.1	179	-177.1	0	112.2	P54 Q55 A56 F60 Q61 E62	P54-K58 PolarHBondContact O-N 2.87Å; Q55-K58 PolarHBondContact O-N 3.47Å; A56-K58 VanDerWaalsContact C-N 3.35Å; A56-K58 PolarHBondContact O-N 3.29Å; K58-F60 VanDerWaalsContact C-N 3.34Å; K58-Q61 PolarHBondContact O-N 2.98Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.11Å
59	K	86.5	Confident	84.9	Confident	79 Å²	79	63 Å²	63	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177	-71.8	-179.8	-176.5	175.9	0	111.8	Y45 Q55 A56 Q61 E62 V63	Y45-K59 HydrophobicContact CD1-CB 3.92Å; Y45-K59 HydrophobicContact CD1-CD 3.96Å; Y45-K59 HydrophobicContact CD2-CB 3.83Å; Y45-K59 HydrophobicContact CE1-CB 4.17Å; Y45-K59 HydrophobicContact CE1-CD 3.4Å; Y45-K59 VanDerWaalsContact CE1-CD 3.4Å; Y45-K59 HydrophobicContact CE1-CG 4.43Å; Y45-K59 HydrophobicContact CE2-CB 4.05Å; Y45-K59 HydrophobicContact CE2-CD 4.06Å; Y45-K59 HydrophobicContact CG-CB 3.77Å; Y45-K59 VanDerWaalsContact CZ-CD 3.46Å; Q55-K59 WeakPolarHBondContact O-CG 3.23Å; Q55-K59 PolarHBondContact O-N 2.88Å; A56-K59 PolarHBondContact O-N 2.62Å; K59-Q61 VanDerWaalsContact C-N 3.32Å; K59-Q61 PolarHBondContact O-N 3.09Å; K59-E62 PolarHBondContact O-N 3.3Å; K59-V63 VanDerWaalsContact O-CB 3.31Å; K59-V63 WeakPolarHBondContact O-CB 3.44Å; K59-V63 WeakPolarHBondContact O-CG2 3.09Å; K59-V63 PolarHBondContact O-N 3.28Å
60	F	87.3	Confident	85.3	Confident	7 Å²	7	58 Å²	58	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-40.1	175.5	-173.1	-109.2	0	0	0	112.1	A42 A56 A57 K58 S64 P114 F118	A42-F60 HydrophobicContact CB-CD2 4.43Å; A42-F60 HydrophobicContact CB-CE2 3.83Å; A56-F60 WeakPolarHBondContact O-CB 3.44Å; A56-F60 PolarHBondContact O-N 2.75Å; A57-F60 PolarHBondContact O-N 3.28Å; K58-F60 VanDerWaalsContact C-N 3.34Å; F60-S64 WeakPolarHBondContact O-CB 3.35Å; F60-S64 PolarHBondContact O-N 2.99Å; F60-S64 PolarHBondContact O-OG 3.49Å; F60-P114 HydrophobicContact CD1-CB 3.62Å; F60-P114 HydrophobicContact CE1-CB 3.33Å; F60-P114 HydrophobicContact CZ-CB 4.36Å; F60-F118 HydrophobicContact CE2-CD2 4.43Å; F60-F118 HydrophobicContact CZ-CB 4.39Å; F60-F118 HydrophobicContact CZ-CD2 4.26Å
61	Q	86.9	Confident	85.4	Confident	119 Å²	119	57.4 Å²	57.4	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-47.9	174.6	-172	177	1.5	0	0	111.6	A57 K58 K59 V63 S64 E65	A57-Q61 PolarHBondContact O-N 2.99Å; K58-Q61 PolarHBondContact O-N 2.98Å; K59-Q61 VanDerWaalsContact C-N 3.32Å; K59-Q61 PolarHBondContact O-N 3.09Å; Q61-V63 PolarHBondContact O-N 2.98Å; Q61-S64 PolarHBondContact O-N 2.97Å; Q61-E65 PolarHBondContact O-N 2.92Å
62	E	88.8	Confident	85.7	Confident	55 Å²	55	54 Å²	54	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-43.3	178.2	-71	170.8	-167.3	0	0	112.2	K17 V22 K58 K59 S64 E65 A66	K17-E62 IonicContact NZ-OE1 2.83Å; K17-E62 PolarHBondContact NZ-OE1 3.18Å; K17-E62 IonicContact NZ-OE2 2.78Å; K17-E62 PolarHBondContact NZ-OE2 3.41Å; V22-E62 HydrophobicContact CG1-CB 4.06Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.11Å; K59-E62 PolarHBondContact O-N 3.3Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 2.85Å; E62-E65 PolarHBondContact O-N 3.48Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 2.98Å
63	V	90.1	Very high	86.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-37.6	177.4	165.3	0	0	0	0	111.6	V22 L23 Y38 L41 K59 Q61 Y67	V22-V63 HydrophobicContact CG1-CG2 4Å; L23-V63 HydrophobicContact CD2-CG1 3.99Å; Y38-V63 HydrophobicContact CD2-CG1 3.56Å; Y38-V63 HydrophobicContact CE2-CG1 3.97Å; L41-V63 HydrophobicContact CB-CB 4.39Å; L41-V63 HydrophobicContact CB-CG1 3.67Å; L41-V63 HydrophobicContact CB-CG2 3.81Å; L41-V63 HydrophobicContact CD1-CG1 4.42Å; L41-V63 HydrophobicContact CD1-CG2 3.97Å; L41-V63 HydrophobicContact CG-CG2 4.43Å; K59-V63 VanDerWaalsContact O-CB 3.31Å; K59-V63 WeakPolarHBondContact O-CB 3.44Å; K59-V63 WeakPolarHBondContact O-CG2 3.09Å; K59-V63 PolarHBondContact O-N 3.28Å; Q61-V63 PolarHBondContact O-N 2.98Å; V63-Y67 WeakPolarHBondContact O-CB 3.5Å; V63-Y67 PolarHBondContact O-N 3.31Å
64	S	88.1	Confident	86.4	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-41.6	177.5	-61.2	0	0	0	0	112.1	F60 Q61 E62 Y67 E68	F60-S64 WeakPolarHBondContact O-CB 3.35Å; F60-S64 PolarHBondContact O-N 2.99Å; F60-S64 PolarHBondContact O-OG 3.49Å; Q61-S64 PolarHBondContact O-N 2.97Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 2.85Å; S64-Y67 PolarHBondContact O-N 3.29Å; S64-E68 PolarHBondContact O-N 2.84Å
65	E	87.9	Confident	86.7	Confident	68 Å²	68	46.9 Å²	46.9	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-47	174.1	-170.7	-174.8	158	0	0	111.1	Y19 Q61 E62 Y67 E68 I69 A110	Y19-E65 HydrophobicContact CE1-CG 3.92Å; Y19-E65 PolarHBondContact OH-OE1 2.83Å; Q61-E65 PolarHBondContact O-N 2.92Å; E62-E65 PolarHBondContact O-N 3.48Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 3.41Å; E65-E68 PolarHBondContact O-N 2.9Å; E65-I69 PolarHBondContact O-N 3.42Å; E65-A110 HydrophobicContact CG-CB 4.42Å
66	A	90.4	Very high	86.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-43.3	176.7	0	0	0	0	0	112	Y19 V22 L23 E62 I69 L70	Y19-A66 VanDerWaalsContact CD1-CA 3.48Å; Y19-A66 HydrophobicContact CD1-CB 3.67Å; Y19-A66 HydrophobicContact CG-CB 4.05Å; V22-A66 HydrophobicContact CB-CB 4.12Å; V22-A66 HydrophobicContact CG1-CB 3.95Å; L23-A66 HydrophobicContact CD1-CB 4.31Å; L23-A66 HydrophobicContact CD2-CB 4.3Å; L23-A66 HydrophobicContact CG-CB 3.89Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 2.98Å; A66-I69 PolarHBondContact O-N 2.89Å; A66-L70 VanDerWaalsContact O-CB 3.3Å; A66-L70 WeakPolarHBondContact O-CB 3.17Å; A66-L70 VanDerWaalsContact O-CG 3.28Å; A66-L70 WeakPolarHBondContact O-CG 3.47Å; A66-L70 PolarHBondContact O-N 3.36Å
67	Y	89.4	Confident	87	Confident	15 Å²	15	47.6 Å²	47.6	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-39.3	177	179.9	-95.6	0	0	0	112.6	I34 K35 Y38 V63 S64 E65 I69 L70 S71 L117 I121	I34-Y67 HydrophobicContact CG2-CD2 3.98Å; I34-Y67 HydrophobicContact CG2-CE2 4.28Å; K35-Y67 HydrophobicContact CB-CE2 4.3Å; K35-Y67 WeakPolarHBondContact CE-OH 3.49Å; K35-Y67 HydrophobicContact CG-CE2 3.58Å; K35-Y67 WeakPolarHBondContact CG-OH 3.26Å; Y38-Y67 VanDerWaalsContact CB-CD2 3.41Å; Y38-Y67 HydrophobicContact CD1-CD1 4.26Å; Y38-Y67 AromaticContact CD1-CD2 3.97Å; Y38-Y67 HydrophobicContact CD1-CD2 3.97Å; Y38-Y67 HydrophobicContact CD1-CE2 4.23Å; Y38-Y67 AromaticContact CD1-CG 3.96Å; Y38-Y67 HydrophobicContact CD1-CG 3.96Å; Y38-Y67 HydrophobicContact CD2-CD1 4.39Å; Y38-Y67 HydrophobicContact CD2-CD2 4.17Å; Y38-Y67 AromaticContact CD2-CG 3.71Å; Y38-Y67 HydrophobicContact CD2-CG 3.71Å; Y38-Y67 HydrophobicContact CE1-CD1 4.37Å; Y38-Y67 HydrophobicContact CE1-CG 4.45Å; Y38-Y67 HydrophobicContact CE2-CG 4.26Å; Y38-Y67 HydrophobicContact CG-CD1 4.27Å; Y38-Y67 AromaticContact CG-CD2 3.58Å; Y38-Y67 HydrophobicContact CG-CD2 3.58Å; Y38-Y67 HydrophobicContact CG-CE2 4.26Å; Y38-Y67 AromaticContact CG-CG 3.56Å; Y38-Y67 HydrophobicContact CG-CG 3.56Å; V63-Y67 WeakPolarHBondContact O-CB 3.5Å; V63-Y67 PolarHBondContact O-N 3.31Å; S64-Y67 PolarHBondContact O-N 3.29Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 3.41Å; Y67-I69 VanDerWaalsContact C-N 3.25Å; Y67-I69 PolarHBondContact O-N 3.41Å; Y67-L70 PolarHBondContact O-N 3.15Å; Y67-S71 WeakPolarHBondContact O-CB 3.39Å; Y67-S71 PolarHBondContact O-N 3.3Å; Y67-S71 PolarHBondContact O-OG 3.02Å; Y67-L117 HydrophobicContact CD1-CD2 4.21Å; Y67-I121 HydrophobicContact CD1-CD1 3.74Å; Y67-I121 HydrophobicContact CE1-CD1 3.19Å; Y67-I121 HydrophobicContact CE1-CG1 4.09Å
68	E	87.4	Confident	87	Confident	21 Å²	21	50.2 Å²	50.2	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-37.6	179.1	-162.5	-165	143.4	0	0	112.1	S64 E65 K75 A110 I112	S64-E68 PolarHBondContact O-N 2.84Å; E65-E68 PolarHBondContact O-N 2.9Å; E68-K75 IonicContact OE1-NZ 3.02Å; E68-K75 PolarHBondContact OE1-NZ 2.87Å; E68-A110 WeakPolarHBondContact OE2-CA 3.38Å; E68-I112 HydrophobicContact CG-CD1 4.39Å
69	I	88.4	Confident	86.9	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-80.6	-43.4	179.7	-56.3	-42	0	0	0	111.6	Y19 E65 A66 Y67 K75 R76 Y79 F108	Y19-I69 HydrophobicContact CD2-CB 4Å; Y19-I69 HydrophobicContact CD2-CG1 4.26Å; Y19-I69 HydrophobicContact CD2-CG2 3.99Å; Y19-I69 HydrophobicContact CE2-CB 3.91Å; Y19-I69 HydrophobicContact CE2-CG1 3.68Å; Y19-I69 HydrophobicContact CE2-CG2 3.95Å; E65-I69 PolarHBondContact O-N 3.42Å; A66-I69 PolarHBondContact O-N 2.89Å; Y67-I69 VanDerWaalsContact C-N 3.25Å; Y67-I69 PolarHBondContact O-N 3.41Å; I69-K75 HydrophobicContact CD1-CD 4.07Å; I69-K75 HydrophobicContact CG2-CB 4.35Å; I69-K75 CarbonylContact O-C 3.55Å; I69-K75 WeakPolarHBondContact O-CB 3.19Å; I69-R76 PolarHBondContact O-N 2.9Å; I69-R76 VanDerWaalsContact O-N 3.12Å; I69-Y79 HydrophobicContact CG2-CD2 4.34Å; I69-Y79 HydrophobicContact CG2-CG 4.02Å; I69-F108 HydrophobicContact CD1-CD1 3.45Å; I69-F108 VanDerWaalsContact CD1-CD1 3.45Å; I69-F108 HydrophobicContact CD1-CE1 3.6Å; I69-F108 HydrophobicContact CG1-CD1 4.25Å; I69-F108 HydrophobicContact CG1-CE1 4.3Å; I69-F108 HydrophobicContact CG2-CE1 4.28Å
70	L	88.5	Confident	86.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-80.4	-24	-174.6	-65	177.5	0	0	0	113.5	Y20 L23 I25 Q31 I34 A66 Y67 R76 Y79	Y20-L70 HydrophobicContact CD1-CD1 4.13Å; Y20-L70 HydrophobicContact CD1-CD2 4.37Å; Y20-L70 HydrophobicContact CD2-CD2 4.36Å; Y20-L70 HydrophobicContact CE1-CD1 4.28Å; Y20-L70 HydrophobicContact CE1-CD2 3.79Å; Y20-L70 HydrophobicContact CE2-CD2 3.8Å; Y20-L70 HydrophobicContact CG-CD1 4.38Å; Y20-L70 VanDerWaalsContact CZ-CD2 3.5Å; L23-L70 HydrophobicContact CD1-CD1 3.79Å; I25-L70 HydrophobicContact CD1-CD1 4.28Å; Q31-L70 PolarHBondContact NE2-O 2.93Å; Q31-L70 VanDerWaalsContact NE2-O 3.16Å; I34-L70 HydrophobicContact CD1-CB 4.21Å; I34-L70 HydrophobicContact CG2-CB 3.87Å; A66-L70 VanDerWaalsContact O-CB 3.3Å; A66-L70 WeakPolarHBondContact O-CB 3.17Å; A66-L70 VanDerWaalsContact O-CG 3.28Å; A66-L70 WeakPolarHBondContact O-CG 3.47Å; A66-L70 PolarHBondContact O-N 3.36Å; Y67-L70 PolarHBondContact O-N 3.15Å; L70-R76 HydrophobicContact CD2-CG 4.08Å; L70-Y79 HydrophobicContact CD2-CD1 4.3Å
71	S	83.4	Confident	86.5	Confident	37 Å²	37	49.7 Å²	49.7	26%	0.259	25%	0.246	S	C	.	.	S	Bend	trans	-76.3	-24	-178.9	65.1	0	0	0	0	114.4	Q31 Y67	Q31-S71 PolarHBondContact OE1-O 3.45Å; Y67-S71 WeakPolarHBondContact O-CB 3.39Å; Y67-S71 PolarHBondContact O-N 3.3Å; Y67-S71 PolarHBondContact O-OG 3.02Å
72	D	84.9	Confident	85.8	Confident	80 Å²	80	49.4 Å²	49.4	43%	0.428	24%	0.24	S	C	.	.	S	Bend	trans	-96.8	119.7	173.8	-176	-73.1	0	0	0	109.3	G74 K75 R76	D72-G74 PolarHBondContact O-N 3.17Å; D72-G74 VanDerWaalsContact OD1-CA 3.3Å; D72-G74 WeakPolarHBondContact OD1-CA 3.33Å; D72-G74 PolarHBondContact OD1-N 3.35Å; D72-K75 HydrophobicContact CB-CB 4.04Å; D72-K75 HydrophobicContact CB-CD 4.14Å; D72-K75 HydrophobicContact CB-CG 4.02Å; D72-K75 PolarHBondContact O-N 2.89Å; D72-K75 VanDerWaalsContact O-N 3.15Å; D72-K75 PolarHBondContact OD1-N 3.44Å; D72-R76 WeakPolarHBondContact O-CB 3.22Å; D72-R76 PolarHBondContact O-N 2.6Å
73	E	85.1	Confident	84.6	Confident	91 Å²	91	49.5 Å²	49.5	43%	0.425	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-33.5	-176.4	-168.2	60.4	-150.6	0	0	112.2	Q31 Q77	Q31-E73 PolarHBondContact NE2-OE2 3.39Å; Q31-E73 VanDerWaalsContact NE2-OE2 3.12Å; E73-Q77 WeakPolarHBondContact O-CB 3.2Å; E73-Q77 WeakPolarHBondContact O-CG 3.43Å; E73-Q77 PolarHBondContact O-N 2.78Å; E73-Q77 PolarHBondContact OE1-NE2 2.87Å
74	G	86	Confident	83.1	Confident	31 Å²	31	54.4 Å²	54.4	32%	0.32	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-41.5	176.3	0	0	0	0	0	112.6	D72 Q78	D72-G74 PolarHBondContact O-N 3.17Å; D72-G74 VanDerWaalsContact OD1-CA 3.3Å; D72-G74 WeakPolarHBondContact OD1-CA 3.33Å; D72-G74 PolarHBondContact OD1-N 3.35Å; G74-Q78 VanDerWaalsContact O-CG 3.31Å; G74-Q78 WeakPolarHBondContact O-CG 3.31Å; G74-Q78 PolarHBondContact O-N 3.04Å; G74-Q78 VanDerWaalsContact O-N 3.14Å; G74-Q78 PolarHBondContact O-NE2 3.44Å
75	K	86	Confident	81.6	Confident	55 Å²	55	57.9 Å²	57.9	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-40	174.8	-68.1	-174.7	178.5	179.4	0	111.9	E68 I69 D72 Q78 Y79	E68-K75 IonicContact OE1-NZ 3.02Å; E68-K75 PolarHBondContact OE1-NZ 2.87Å; I69-K75 HydrophobicContact CD1-CD 4.07Å; I69-K75 HydrophobicContact CG2-CB 4.35Å; I69-K75 CarbonylContact O-C 3.55Å; I69-K75 WeakPolarHBondContact O-CB 3.19Å; D72-K75 HydrophobicContact CB-CB 4.04Å; D72-K75 HydrophobicContact CB-CD 4.14Å; D72-K75 HydrophobicContact CB-CG 4.02Å; D72-K75 PolarHBondContact O-N 2.89Å; D72-K75 VanDerWaalsContact O-N 3.15Å; D72-K75 PolarHBondContact OD1-N 3.44Å; K75-Q78 PolarHBondContact O-N 3.17Å; K75-Y79 WeakPolarHBondContact O-CB 3.46Å; K75-Y79 PolarHBondContact O-N 3Å
76	R	87.9	Confident	79.9	Confident	22 Å²	22	56.8 Å²	56.8	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-47.8	175.4	-178.7	-178.4	178.8	175.6	3.6	111	Y20 R27 A29 I69 L70 D72 Q78 Y79 D80	Y20-R76 PolarHBondContact OH-NE 2.89Å; R27-R76 PolarHBondContact O-NH2 2.68Å; A29-R76 PolarHBondContact O-NH1 3.48Å; A29-R76 PolarHBondContact O-NH2 3.16Å; I69-R76 PolarHBondContact O-N 2.9Å; I69-R76 VanDerWaalsContact O-N 3.12Å; L70-R76 HydrophobicContact CD2-CG 4.08Å; D72-R76 WeakPolarHBondContact O-CB 3.22Å; D72-R76 PolarHBondContact O-N 2.6Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-Q78 PolarHBondContact O-N 2.68Å; R76-Y79 WeakPolarHBondContact O-CB 3.41Å; R76-Y79 PolarHBondContact O-N 3.5Å; R76-D80 IonicContact NE-OD2 2.62Å; R76-D80 WeakPolarHBondContact O-CB 3.45Å; R76-D80 VanDerWaalsContact O-CG 3.23Å; R76-D80 PolarHBondContact O-N 3Å
77	Q	85.4	Confident	77.9	Confident	114 Å²	114	60.7 Å²	60.7	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.4	-73.4	173.4	16.4	0	0	112.6	E73 Y79 D80 H81	E73-Q77 WeakPolarHBondContact O-CB 3.2Å; E73-Q77 WeakPolarHBondContact O-CG 3.43Å; E73-Q77 PolarHBondContact O-N 2.78Å; E73-Q77 PolarHBondContact OE1-NE2 2.87Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Q77-D80 PolarHBondContact O-N 2.82Å; Q77-H81 VanDerWaalsContact O-CB 3.22Å; Q77-H81 WeakPolarHBondContact O-CB 3.42Å; Q77-H81 PolarHBondContact O-N 3.13Å
78	Q	81.5	Confident	75.4	Confident	107 Å²	107	63 Å²	63	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-40.2	173.9	-73.6	172.1	46.9	0	0	111.8	G74 K75 R76 W82 F108	G74-Q78 VanDerWaalsContact O-CG 3.31Å; G74-Q78 WeakPolarHBondContact O-CG 3.31Å; G74-Q78 PolarHBondContact O-N 3.04Å; G74-Q78 VanDerWaalsContact O-N 3.14Å; G74-Q78 PolarHBondContact O-NE2 3.44Å; K75-Q78 PolarHBondContact O-N 3.17Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-Q78 PolarHBondContact O-N 2.68Å; Q78-W82 VanDerWaalsContact O-CB 3.23Å; Q78-W82 WeakPolarHBondContact O-CB 3.48Å; Q78-W82 PolarHBondContact O-N 2.97Å; Q78-F108 HydrophobicContact CB-CZ 4.46Å
79	Y	84.7	Confident	72.8	Confident	32 Å²	32	65.5 Å²	65.5	13%	0.125	38%	0.384	C	S	.	.	H	α-helix	trans	-65.1	-47.5	175.4	176.3	-103.2	0	0	0	111.8	D18 Y19 Y20 I69 L70 K75 R76 Q77 H81 W82 E83	D18-Y79 WeakPolarHBondContact CA-OH 3.28Å; D18-Y79 PolarHBondContact OD1-OH 3.31Å; Y19-Y79 HydrophobicContact CD2-CD1 4.21Å; Y19-Y79 AromaticContact CD2-CD2 3.59Å; Y19-Y79 HydrophobicContact CD2-CD2 3.59Å; Y19-Y79 AromaticContact CD2-CE1 3.89Å; Y19-Y79 HydrophobicContact CD2-CE1 3.89Å; Y19-Y79 AromaticContact CD2-CE2 3.24Å; Y19-Y79 HydrophobicContact CD2-CE2 3.24Å; Y19-Y79 HydrophobicContact CD2-CG 4.06Å; Y19-Y79 AromaticContact CD2-CZ 3.41Å; Y19-Y79 VanDerWaalsContact CD2-CZ 3.41Å; Y19-Y79 AromaticContact CE2-CD2 3.62Å; Y19-Y79 HydrophobicContact CE2-CD2 3.62Å; Y19-Y79 AromaticContact CE2-CE2 3.44Å; Y19-Y79 HydrophobicContact CE2-CE2 3.44Å; Y19-Y79 VanDerWaalsContact CE2-CE2 3.44Å; Y19-Y79 HydrophobicContact CE2-CG 4.41Å; Y19-Y79 HydrophobicContact CG-CE2 4.22Å; Y19-Y79 PolarHBondContact N-OH 2.95Å; Y20-Y79 AromaticContact CD2-CE1 4Å; Y20-Y79 HydrophobicContact CD2-CE1 4Å; Y20-Y79 HydrophobicContact CE2-CD1 4.09Å; Y20-Y79 AromaticContact CE2-CE1 3.77Å; Y20-Y79 HydrophobicContact CE2-CE1 3.77Å; I69-Y79 HydrophobicContact CG2-CD2 4.34Å; I69-Y79 HydrophobicContact CG2-CG 4.02Å; L70-Y79 HydrophobicContact CD2-CD1 4.3Å; K75-Y79 WeakPolarHBondContact O-CB 3.46Å; K75-Y79 PolarHBondContact O-N 3Å; R76-Y79 WeakPolarHBondContact O-CB 3.41Å; R76-Y79 PolarHBondContact O-N 3.5Å; Q77-Y79 VanDerWaalsContact C-N 3.34Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.45Å; Y79-W82 PolarHBondContact O-N 3.11Å; Y79-E83 PolarHBondContact O-N 3.39Å
80	D	85.5	Confident	70.6	Confident	50 Å²	50	70 Å²	70	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-38.2	178.5	-66.1	-22.7	0	0	0	111.6	Y20 R76 Q77 T84	Y20-D80 VanDerWaalsContact CE2-OD1 3.31Å; Y20-D80 WeakPolarHBondContact CE2-OD1 3.46Å; Y20-D80 PolarHBondContact OH-OD1 2.94Å; Y20-D80 PolarHBondContact OH-OD2 3.19Å; R76-D80 IonicContact NE-OD2 2.62Å; R76-D80 WeakPolarHBondContact O-CB 3.45Å; R76-D80 VanDerWaalsContact O-CG 3.23Å; R76-D80 PolarHBondContact O-N 3Å; Q77-D80 PolarHBondContact O-N 2.82Å; D80-T84 PolarHBondContact O-N 3.08Å; D80-T84 VanDerWaalsContact O-N 3.17Å; D80-T84 PolarHBondContact O-OG1 3.27Å
81	H	80.2	Confident	68.1	Low	132 Å²	132	75 Å²	75	61%	0.611	46%	0.458	S	S	*	.	H	α-helix	trans	-69.4	-38.9	175.1	-174.5	69.2	0	0	0	112.4	Q77 Y79 T84 T85	Q77-H81 VanDerWaalsContact O-CB 3.22Å; Q77-H81 WeakPolarHBondContact O-CB 3.42Å; Q77-H81 PolarHBondContact O-N 3.13Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.45Å; H81-T84 PolarHBondContact O-N 3.34Å; H81-T85 WeakPolarHBondContact O-CB 3.28Å; H81-T85 PolarHBondContact O-N 3.4Å; H81-T85 PolarHBondContact O-OG1 3.01Å
82	W	71.5	Confident	66	Low	113 Å²	113	77.9 Å²	77.9	43%	0.428	48%	0.483	S	S	.	.	H	α-helix	trans	-69	-34.9	177.5	-177.9	-95.9	0	0	0	112.2	Q78 Y79 T85 G86 W105	Q78-W82 VanDerWaalsContact O-CB 3.23Å; Q78-W82 WeakPolarHBondContact O-CB 3.48Å; Q78-W82 PolarHBondContact O-N 2.97Å; Y79-W82 PolarHBondContact O-N 3.11Å; W82-T85 PolarHBondContact O-N 3.02Å; W82-G86 VanDerWaalsContact O-CA 3.26Å; W82-G86 WeakPolarHBondContact O-CA 3.3Å; W82-G86 PolarHBondContact O-N 3.31Å; W82-W105 HydrophobicContact CD2-CH2 4.32Å; W82-W105 AromaticContact CD2-CZ2 3.89Å; W82-W105 HydrophobicContact CD2-CZ2 3.89Å; W82-W105 AromaticContact CE2-CH2 3.92Å; W82-W105 AromaticContact CE2-CZ2 3.55Å; W82-W105 HydrophobicContact CE3-CZ2 4.13Å; W82-W105 AromaticContact CH2-CZ2 3.77Å; W82-W105 HydrophobicContact CH2-CZ2 3.77Å; W82-W105 HydrophobicContact CZ2-CH2 4.21Å; W82-W105 AromaticContact CZ2-CZ2 3.5Å; W82-W105 HydrophobicContact CZ2-CZ2 3.5Å; W82-W105 HydrophobicContact CZ3-CZ2 4.07Å; W82-W105 AromaticContact NE1-CH2 3.96Å
83	E	64.8	Low	63.8	Low	56 Å²	56	77.5 Å²	77.5	26%	0.262	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-42.1	173.2	-167.9	-171	155.6	0	0	111.3	R27 Y79 T85 G86 A87	R27-E83 IonicContact CZ-OE1 3.06Å; R27-E83 VanDerWaalsContact CZ-OE1 3.25Å; R27-E83 IonicContact CZ-OE2 3.55Å; R27-E83 IonicContact NH1-OE1 2.69Å; R27-E83 IonicContact NH1-OE2 3.65Å; R27-E83 PolarHBondContact NH1-OE2 3.47Å; R27-E83 IonicContact NH2-OE1 3.94Å; R27-E83 PolarHBondContact NH2-OE1 3.18Å; R27-E83 IonicContact NH2-OE2 3.68Å; R27-E83 PolarHBondContact NH2-OE2 3.01Å; Y79-E83 PolarHBondContact O-N 3.39Å; E83-T85 VanDerWaalsContact C-N 3.25Å; E83-T85 PolarHBondContact O-N 3.13Å; E83-G86 PolarHBondContact O-N 3.12Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.16Å
84	T	58.5	Low	61.5	Low	107 Å²	107	77.8 Å²	77.8	66%	0.656	52%	0.517	S	S	*	.	H	α-helix	trans	-60.9	-36.6	176.9	-54.6	0	0	0	0	111.8	D80 H81	D80-T84 PolarHBondContact O-N 3.08Å; D80-T84 VanDerWaalsContact O-N 3.17Å; D80-T84 PolarHBondContact O-OG1 3.27Å; H81-T84 PolarHBondContact O-N 3.34Å
85	T	56.6	Low	59.2	Low	80 Å²	80	82.5 Å²	82.5	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-89.2	-27.4	-179.2	-49	0	0	0	0	112.7	H81 W82 E83	H81-T85 WeakPolarHBondContact O-CB 3.28Å; H81-T85 PolarHBondContact O-N 3.4Å; H81-T85 PolarHBondContact O-OG1 3.01Å; W82-T85 PolarHBondContact O-N 3.02Å; E83-T85 VanDerWaalsContact C-N 3.25Å; E83-T85 PolarHBondContact O-N 3.13Å
86	G	52.3	Low	56.8	Low	44 Å²	44	83.8 Å²	83.8	45%	0.454	57%	0.573	S	S	.	*	H	α-helix	trans	-95.1	-17.1	-174.1	0	0	0	0	0	114.7	W82 E83	W82-G86 VanDerWaalsContact O-CA 3.26Å; W82-G86 WeakPolarHBondContact O-CA 3.3Å; W82-G86 PolarHBondContact O-N 3.31Å; E83-G86 PolarHBondContact O-N 3.12Å
87	A	48	Very low	54.2	Low	83 Å²	83	86.6 Å²	86.6	69%	0.686	61%	0.609	S	S	*	*	S	Bend	trans	-81	-19.9	167.4	0	0	0	0	0	112	E83 G89	E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.16Å; A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 3.13Å; A87-G89 VanDerWaalsContact O-N 3.15Å
88	A	37.4	Very low	51.6	Low	64 Å²	64	85.5 Å²	85.5	53%	0.529	63%	0.629	S	S	.	*			trans	-85	75.3	170.6	0	0	0	0	0	110.4	S90	A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.73Å
89	G	33.3	Very low	49.2	Very low	73 Å²	73	83.5 Å²	83.5	75%	0.753	64%	0.637	S	S	*	*			trans	-62.8	90.2	160.4	0	0	0	0	0	109.4	A87	A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 3.13Å; A87-G89 VanDerWaalsContact O-N 3.15Å
90	S	40.4	Very low	47	Very low	99 Å²	99	90.5 Å²	90.5	69%	0.692	67%	0.67	S	S	*	*			trans	-164.9	103.1	173.1	-72.4	0	0	0	0	108.4	A88	A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.73Å
91	A	36.2	Very low	44.7	Very low	105 Å²	105	94.6 Å²	94.6	87%	0.868	70%	0.7	S	S	*	*				50.4	68.1	86.7	0	0	0	0	0	113.5
92	A	40.3	Very low	42.9	Very low	97 Å²	97	92 Å²	92	80%	0.802	71%	0.708	S	S	*	*			trans	-177.5	116	149.5	0	0	0	0	0	108.4
93	G	38.4	Very low	41.5	Very low	72 Å²	72	90 Å²	90	74%	0.742	72%	0.716	S	S	*	*				85.6	84.8	104.4	0	0	0	0	0	111.1
94	A	36.6	Very low	40.2	Very low	98 Å²	98	95.4 Å²	95.4	81%	0.81	74%	0.741	S	S	*	*				70.2	98.1	102	0	0	0	0	0	114.2
95	S	38	Very low	39.4	Very low	129 Å²	129	97.8 Å²	97.8	90%	0.902	74%	0.738	S	S	*	*				157.8	138.8	117.5	56	0	0	0	0	111.3
96	G	35.2	Very low	38.6	Very low	82 Å²	82	100.2 Å²	100.2	85%	0.845	74%	0.744	S	S	*	*			trans	99.9	105.6	150	0	0	0	0	0	117.1
97	G	33.4	Very low	38	Very low	81 Å²	81	100.8 Å²	100.8	84%	0.835	75%	0.75	S	S	*	*			trans	103.9	108.2	141.7	0	0	0	0	0	115
98	G	30.5	Very low	37.7	Very low	92 Å²	92	100 Å²	100	95%	0.948	73%	0.731	S	S	*	*			trans	-61.2	138.1	-177.8	0	0	0	0	0	114
99	G	30.9	Very low	38	Very low	64 Å²	64	105.2 Å²	105.2	66%	0.66	74%	0.737	S	S	*	*			trans	-176.1	122.1	171.7	0	0	0	0	0	107.6	P101	G99-P101 WeakPolarHBondContact O-CD 3.38Å
100	H	39.4	Very low	38.6	Very low	179 Å²	179	104.1 Å²	104.1	83%	0.829	72%	0.721	S	S	*	*			trans	-44.2	118.7	-170.8	-64.3	-83.9	0	0	0	114.4	G102	H100-G102 PolarHBondContact O-N 3.45Å
101	P	37.2	Very low	39.1	Very low	137 Å²	137	104.4 Å²	104.4	89%	0.89	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	95.3	169.3	32	-26.5	0	0	0	108	G99	G99-P101 WeakPolarHBondContact O-CD 3.38Å
102	G	41.9	Very low	40.2	Very low	77 Å²	77	101.7 Å²	101.7	79%	0.794	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.5	-4	174.5	0	0	0	0	0	118.1	H100	H100-G102 PolarHBondContact O-N 3.45Å
103	A	41.4	Very low	41.3	Very low	72 Å²	72	102.3 Å²	102.3	60%	0.595	68%	0.683	S	S	*	*	S	Bend	trans	-115.8	-11.1	-166.9	0	0	0	0	0	117.1
104	Q	37.7	Very low	42.7	Very low	168 Å²	168	100.3 Å²	100.3	79%	0.785	66%	0.657	S	S	*	*	S	Bend	trans	-100.3	-12.9	-170.7	-165.6	157.8	-20.7	0	0	115.6	Q106 G107	Q104-Q106 PolarHBondContact O-N 3.2Å; Q104-G107 PolarHBondContact O-N 2.84Å
105	W	41.9	Very low	44.1	Very low	157 Å²	157	99.3 Å²	99.3	60%	0.595	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-70.9	-1.2	179.3	-86.4	90.6	0	0	0	115	W82 G107	W82-W105 HydrophobicContact CD2-CH2 4.32Å; W82-W105 AromaticContact CD2-CZ2 3.89Å; W82-W105 HydrophobicContact CD2-CZ2 3.89Å; W82-W105 AromaticContact CE2-CH2 3.92Å; W82-W105 AromaticContact CE2-CZ2 3.55Å; W82-W105 HydrophobicContact CE3-CZ2 4.13Å; W82-W105 AromaticContact CH2-CZ2 3.77Å; W82-W105 HydrophobicContact CH2-CZ2 3.77Å; W82-W105 HydrophobicContact CZ2-CH2 4.21Å; W82-W105 AromaticContact CZ2-CZ2 3.5Å; W82-W105 HydrophobicContact CZ2-CZ2 3.5Å; W82-W105 HydrophobicContact CZ3-CZ2 4.07Å; W82-W105 AromaticContact NE1-CH2 3.96Å; W105-G107 PolarHBondContact O-N 3.05Å
106	Q	40.4	Very low	45.4	Very low	132 Å²	132	98.6 Å²	98.6	62%	0.617	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-77.4	-8.9	172.7	-66.5	174.6	6.1	0	0	112.8	Q104	Q104-Q106 PolarHBondContact O-N 3.2Å
107	G	40.2	Very low	46.9	Very low	55 Å²	55	95.4 Å²	95.4	57%	0.567	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-84.5	-11.6	179.3	0	0	0	0	0	116.1	Q104 W105	Q104-G107 PolarHBondContact O-N 2.84Å; W105-G107 PolarHBondContact O-N 3.05Å
108	F	40.4	Very low	48.6	Very low	67 Å²	67	93.8 Å²	93.8	29%	0.294	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-99.5	23	173.8	-78.3	-91.7	0	0	0	112.2	I69 Q78 A110	I69-F108 HydrophobicContact CD1-CD1 3.45Å; I69-F108 VanDerWaalsContact CD1-CD1 3.45Å; I69-F108 HydrophobicContact CD1-CE1 3.6Å; I69-F108 HydrophobicContact CG1-CD1 4.25Å; I69-F108 HydrophobicContact CG1-CE1 4.3Å; I69-F108 HydrophobicContact CG2-CE1 4.28Å; Q78-F108 HydrophobicContact CB-CZ 4.46Å; F108-A110 PolarHBondContact O-N 2.66Å
109	R	43.6	Very low	50.4	Low	173 Å²	173	97.8 Å²	97.8	65%	0.653	54%	0.538	S	S	*	.			trans	-78.8	109.4	166.7	-67	-176.6	171.9	174.6	-1.9	106	S111	R109-S111 PolarHBondContact O-N 3.04Å
110	A	46.6	Very low	52.1	Low	51 Å²	51	103.2 Å²	103.2	42%	0.421	54%	0.539	S	S	.	.			trans	-59	79.7	162.8	0	0	0	0	0	107.7	E65 E68 F108 I112	E65-A110 HydrophobicContact CG-CB 4.42Å; E68-A110 WeakPolarHBondContact OE2-CA 3.38Å; F108-A110 PolarHBondContact O-N 2.66Å; A110-I112 PolarHBondContact O-N 3.36Å
111	S	51.6	Low	53.2	Low	104 Å²	104	96.5 Å²	96.5	73%	0.727	51%	0.509	S	S	*	.			trans	-85.8	4.6	178.5	77.5	0	0	0	0	110.8	R109	R109-S111 PolarHBondContact O-N 3.04Å
112	I	58.8	Low	54.4	Low	48 Å²	48	91.5 Å²	91.5	25%	0.246	47%	0.473	C	S	.	.	S	Bend	trans	-93.5	117.7	179.8	-52.9	176.2	0	0	0	105.7	E68 A110 E116 L117	E68-I112 HydrophobicContact CG-CD1 4.39Å; A110-I112 PolarHBondContact O-N 3.36Å; I112-E116 HydrophobicContact CG2-CB 4.31Å; I112-L117 HydrophobicContact CD1-CD1 4.38Å; I112-L117 HydrophobicContact CG2-CB 3.72Å; I112-L117 HydrophobicContact CG2-CD1 4.28Å
113	D	63.4	Low	54.9	Low	110 Å²	110	89.9 Å²	89.9	59%	0.588	46%	0.456	S	S	*	.			trans	-53	129	171.5	-79.8	-43.2	0	0	0	108.1	E115 E116 L117	D113-E115 PolarHBondContact O-N 3.3Å; D113-E115 VanDerWaalsContact O-N 3.09Å; D113-E116 HydrophobicContact CB-CB 4.03Å; D113-E116 CarbonylContact O-C 3.57Å; D113-E116 WeakPolarHBondContact O-CA 3.37Å; D113-E116 WeakPolarHBondContact O-CB 3.39Å; D113-E116 PolarHBondContact O-N 3.48Å; D113-L117 PolarHBondContact O-N 2.83Å
114	P	67	Low	55.4	Low	30 Å²	30	93.3 Å²	93.3	20%	0.195	47%	0.465	C	S	.	.	H	α-helix	trans	-52.4	-35.2	-179.6	-31.1	37.6	0	0	0	112.8	F60 F118	F60-P114 HydrophobicContact CD1-CB 3.62Å; F60-P114 HydrophobicContact CE1-CB 3.33Å; F60-P114 HydrophobicContact CZ-CB 4.36Å; P114-F118 VanDerWaalsContact O-CB 3.27Å; P114-F118 WeakPolarHBondContact O-CB 3.43Å; P114-F118 PolarHBondContact O-N 2.7Å
115	E	66.7	Low	55.9	Low	77 Å²	77	90.4 Å²	90.4	36%	0.36	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-36.5	170.6	-103.2	89.3	-156.4	0	0	113.8	P47 D113 R119	P47-E115 WeakPolarHBondContact CG-OE1 3.43Å; D113-E115 PolarHBondContact O-N 3.3Å; D113-E115 VanDerWaalsContact O-N 3.09Å; E115-R119 VanDerWaalsContact O-CB 3.29Å; E115-R119 WeakPolarHBondContact O-CB 3.48Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.95Å
116	E	65.1	Low	56	Low	114 Å²	114	89 Å²	89	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-75.9	-38.9	178.2	-169.6	178.3	-171.7	0	0	111.1	I112 D113 F118 R119 R120	I112-E116 HydrophobicContact CG2-CB 4.31Å; D113-E116 HydrophobicContact CB-CB 4.03Å; D113-E116 CarbonylContact O-C 3.57Å; D113-E116 WeakPolarHBondContact O-CA 3.37Å; D113-E116 WeakPolarHBondContact O-CB 3.39Å; D113-E116 PolarHBondContact O-N 3.48Å; E116-F118 VanDerWaalsContact C-N 3.29Å; E116-F118 PolarHBondContact O-N 2.93Å; E116-R119 CarbonylContact O-C 3.44Å; E116-R119 PolarHBondContact O-N 2.97Å; E116-R120 WeakPolarHBondContact O-CB 3.42Å; E116-R120 PolarHBondContact O-N 3.18Å
117	L	67.5	Low	56.2	Low	15 Å²	15	90.6 Å²	90.6	8%	0.079	47%	0.467	C	S	.	.	H	α-helix	trans	-58.3	-47.8	170.9	-173.6	69.7	0	0	0	109.6	Y67 I112 D113 R120 I121	Y67-L117 HydrophobicContact CD1-CD2 4.21Å; I112-L117 HydrophobicContact CD1-CD1 4.38Å; I112-L117 HydrophobicContact CG2-CB 3.72Å; I112-L117 HydrophobicContact CG2-CD1 4.28Å; D113-L117 PolarHBondContact O-N 2.83Å; L117-R120 PolarHBondContact O-N 3.48Å; L117-I121 HydrophobicContact CD1-CD1 4.04Å; L117-I121 HydrophobicContact CG-CD1 3.76Å; L117-I121 WeakPolarHBondContact O-CB 3.32Å; L117-I121 VanDerWaalsContact O-CD1 3.28Å; L117-I121 WeakPolarHBondContact O-CD1 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.36Å; L117-I121 PolarHBondContact O-N 2.86Å
118	F	68	Low	56.3	Low	48 Å²	48	92.1 Å²	92.1	21%	0.211	48%	0.483	C	S	.	.	H	α-helix	trans	-57	-57.1	172.7	-169.7	-85.1	0	0	0	109.6	A42 F60 P114 E116 R120 I121 F122	A42-F118 HydrophobicContact CB-CD2 4.19Å; A42-F118 HydrophobicContact CB-CE2 4.12Å; F60-F118 HydrophobicContact CE2-CD2 4.43Å; F60-F118 HydrophobicContact CZ-CB 4.39Å; F60-F118 HydrophobicContact CZ-CD2 4.26Å; P114-F118 VanDerWaalsContact O-CB 3.27Å; P114-F118 WeakPolarHBondContact O-CB 3.43Å; P114-F118 PolarHBondContact O-N 2.7Å; E116-F118 VanDerWaalsContact C-N 3.29Å; E116-F118 PolarHBondContact O-N 2.93Å; F118-R120 VanDerWaalsContact C-N 3.25Å; F118-R120 PolarHBondContact O-N 3.24Å; F118-R120 VanDerWaalsContact O-N 3.16Å; F118-I121 PolarHBondContact O-N 3.04Å; F118-I121 VanDerWaalsContact O-N 3.13Å; F118-F122 HydrophobicContact CB-CD2 3.99Å; F118-F122 HydrophobicContact CB-CE2 4.36Å; F118-F122 HydrophobicContact CD1-CB 4.16Å; F118-F122 AromaticContact CD1-CD2 3.39Å; F118-F122 HydrophobicContact CD1-CD2 3.39Å; F118-F122 HydrophobicContact CD1-CE2 4.2Å; F118-F122 HydrophobicContact CD1-CG 4.04Å; F118-F122 AromaticContact CD2-CD2 3.15Å; F118-F122 HydrophobicContact CD2-CD2 3.15Å; F118-F122 AromaticContact CD2-CE2 3.05Å; F118-F122 HydrophobicContact CD2-CE2 3.05Å; F118-F122 HydrophobicContact CD2-CG 4.31Å; F118-F122 HydrophobicContact CD2-CZ 4.16Å; F118-F122 HydrophobicContact CE1-CB 3.95Å; F118-F122 AromaticContact CE1-CD2 3.43Å; F118-F122 HydrophobicContact CE1-CD2 3.43Å; F118-F122 VanDerWaalsContact CE1-CD2 3.43Å; F118-F122 HydrophobicContact CE1-CE2 4.21Å; F118-F122 AromaticContact CE1-CG 3.74Å; F118-F122 HydrophobicContact CE1-CG 3.74Å; F118-F122 AromaticContact CE2-CD2 3.2Å; F118-F122 HydrophobicContact CE2-CD2 3.2Å; F118-F122 AromaticContact CE2-CE2 3.06Å; F118-F122 HydrophobicContact CE2-CE2 3.06Å; F118-F122 HydrophobicContact CE2-CG 4.03Å; F118-F122 AromaticContact CE2-CZ 3.8Å; F118-F122 HydrophobicContact CE2-CZ 3.8Å; F118-F122 AromaticContact CG-CD2 3.23Å; F118-F122 HydrophobicContact CG-CD2 3.23Å; F118-F122 AromaticContact CG-CE2 3.64Å; F118-F122 HydrophobicContact CG-CE2 3.64Å; F118-F122 HydrophobicContact CG-CG 4.29Å; F118-F122 HydrophobicContact CZ-CB 4.39Å; F118-F122 HydrophobicContact CZ-CD1 4.34Å; F118-F122 AromaticContact CZ-CD2 3.33Å; F118-F122 HydrophobicContact CZ-CD2 3.33Å; F118-F122 AromaticContact CZ-CE2 3.67Å; F118-F122 HydrophobicContact CZ-CE2 3.67Å; F118-F122 AromaticContact CZ-CG 3.72Å; F118-F122 HydrophobicContact CZ-CG 3.72Å; F118-F122 HydrophobicContact CZ-CZ 4.32Å; F118-F122 WeakPolarHBondContact O-CA 3.21Å; F118-F122 VanDerWaalsContact O-CB 3.23Å; F118-F122 WeakPolarHBondContact O-CB 3.3Å; F118-F122 WeakPolarHBondContact O-CD2 3.14Å; F118-F122 WeakPolarHBondContact O-CG 3.34Å; F118-F122 PolarHBondContact O-N 3.41Å
119	R	68.3	Low	56.3	Low	176 Å²	176	92.9 Å²	92.9	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-60.9	-28.9	-179.6	-76	171.7	-175.4	163.9	5	114.2	E115 E116 G123	E115-R119 VanDerWaalsContact O-CB 3.29Å; E115-R119 WeakPolarHBondContact O-CB 3.48Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.95Å; E116-R119 CarbonylContact O-C 3.44Å; E116-R119 PolarHBondContact O-N 2.97Å; R119-G123 WeakPolarHBondContact O-CA 3.4Å; R119-G123 PolarHBondContact O-N 3.25Å
120	R	65.9	Low	56.1	Low	178 Å²	178	90.2 Å²	90.2	67%	0.672	49%	0.494	S	S	*	.	H	α-helix	trans	-73.2	-44.4	176.3	-176.1	173.8	177.3	166.1	-2.2	110.4	E116 L117 F118 D124	E116-R120 WeakPolarHBondContact O-CB 3.42Å; E116-R120 PolarHBondContact O-N 3.18Å; L117-R120 PolarHBondContact O-N 3.48Å; F118-R120 VanDerWaalsContact C-N 3.25Å; F118-R120 PolarHBondContact O-N 3.24Å; F118-R120 VanDerWaalsContact O-N 3.16Å; R120-D124 PolarHBondContact O-N 2.91Å
121	I	63.3	Low	55.9	Low	38 Å²	38	91 Å²	91	20%	0.195	51%	0.507	C	S	.	.	H	α-helix	trans	-70.7	-43	178.4	-62.8	161.4	0	0	0	110.9	Y38 Y67 L117 F118 L125	Y38-I121 HydrophobicContact CD1-CD1 4.32Å; Y38-I121 HydrophobicContact CE1-CD1 3.61Å; Y67-I121 HydrophobicContact CD1-CD1 3.74Å; Y67-I121 HydrophobicContact CE1-CD1 3.19Å; Y67-I121 HydrophobicContact CE1-CG1 4.09Å; L117-I121 HydrophobicContact CD1-CD1 4.04Å; L117-I121 HydrophobicContact CG-CD1 3.76Å; L117-I121 WeakPolarHBondContact O-CB 3.32Å; L117-I121 VanDerWaalsContact O-CD1 3.28Å; L117-I121 WeakPolarHBondContact O-CD1 3.42Å; L117-I121 WeakPolarHBondContact O-CG1 3.36Å; L117-I121 PolarHBondContact O-N 2.86Å; F118-I121 PolarHBondContact O-N 3.04Å; F118-I121 VanDerWaalsContact O-N 3.13Å; I121-L125 VanDerWaalsContact O-CD1 3.32Å; I121-L125 WeakPolarHBondContact O-CD1 3.36Å; I121-L125 VanDerWaalsContact O-CG 3.3Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å
122	F	61.4	Low	55.1	Low	31 Å²	31	92.5 Å²	92.5	14%	0.136	52%	0.518	C	S	.	.	H	α-helix	trans	-92	-27.8	-173.8	-65.3	-65	0	0	0	113.7	Y38 Y39 F118 D124 L125 N126	Y38-F122 AromaticContact CE1-CE2 3.83Å; Y38-F122 HydrophobicContact CE1-CE2 3.83Å; Y38-F122 HydrophobicContact CE1-CZ 4.13Å; Y39-F122 HydrophobicContact CD2-CD1 4.38Å; Y39-F122 AromaticContact CD2-CE1 3.23Å; Y39-F122 HydrophobicContact CD2-CE1 3.23Å; Y39-F122 AromaticContact CD2-CZ 3.5Å; Y39-F122 HydrophobicContact CD2-CZ 3.5Å; Y39-F122 VanDerWaalsContact CD2-CZ 3.5Å; Y39-F122 HydrophobicContact CE2-CD1 4.12Å; Y39-F122 AromaticContact CE2-CE1 3.34Å; Y39-F122 HydrophobicContact CE2-CE1 3.34Å; Y39-F122 AromaticContact CE2-CZ 3.96Å; Y39-F122 HydrophobicContact CE2-CZ 3.96Å; F118-F122 HydrophobicContact CB-CD2 3.99Å; F118-F122 HydrophobicContact CB-CE2 4.36Å; F118-F122 HydrophobicContact CD1-CB 4.16Å; F118-F122 AromaticContact CD1-CD2 3.39Å; F118-F122 HydrophobicContact CD1-CD2 3.39Å; F118-F122 HydrophobicContact CD1-CE2 4.2Å; F118-F122 HydrophobicContact CD1-CG 4.04Å; F118-F122 AromaticContact CD2-CD2 3.15Å; F118-F122 HydrophobicContact CD2-CD2 3.15Å; F118-F122 AromaticContact CD2-CE2 3.05Å; F118-F122 HydrophobicContact CD2-CE2 3.05Å; F118-F122 HydrophobicContact CD2-CG 4.31Å; F118-F122 HydrophobicContact CD2-CZ 4.16Å; F118-F122 HydrophobicContact CE1-CB 3.95Å; F118-F122 AromaticContact CE1-CD2 3.43Å; F118-F122 HydrophobicContact CE1-CD2 3.43Å; F118-F122 VanDerWaalsContact CE1-CD2 3.43Å; F118-F122 HydrophobicContact CE1-CE2 4.21Å; F118-F122 AromaticContact CE1-CG 3.74Å; F118-F122 HydrophobicContact CE1-CG 3.74Å; F118-F122 AromaticContact CE2-CD2 3.2Å; F118-F122 HydrophobicContact CE2-CD2 3.2Å; F118-F122 AromaticContact CE2-CE2 3.06Å; F118-F122 HydrophobicContact CE2-CE2 3.06Å; F118-F122 HydrophobicContact CE2-CG 4.03Å; F118-F122 AromaticContact CE2-CZ 3.8Å; F118-F122 HydrophobicContact CE2-CZ 3.8Å; F118-F122 AromaticContact CG-CD2 3.23Å; F118-F122 HydrophobicContact CG-CD2 3.23Å; F118-F122 AromaticContact CG-CE2 3.64Å; F118-F122 HydrophobicContact CG-CE2 3.64Å; F118-F122 HydrophobicContact CG-CG 4.29Å; F118-F122 HydrophobicContact CZ-CB 4.39Å; F118-F122 HydrophobicContact CZ-CD1 4.34Å; F118-F122 AromaticContact CZ-CD2 3.33Å; F118-F122 HydrophobicContact CZ-CD2 3.33Å; F118-F122 AromaticContact CZ-CE2 3.67Å; F118-F122 HydrophobicContact CZ-CE2 3.67Å; F118-F122 AromaticContact CZ-CG 3.72Å; F118-F122 HydrophobicContact CZ-CG 3.72Å; F118-F122 HydrophobicContact CZ-CZ 4.32Å; F118-F122 WeakPolarHBondContact O-CA 3.21Å; F118-F122 VanDerWaalsContact O-CB 3.23Å; F118-F122 WeakPolarHBondContact O-CB 3.3Å; F118-F122 WeakPolarHBondContact O-CD2 3.14Å; F118-F122 WeakPolarHBondContact O-CG 3.34Å; F118-F122 PolarHBondContact O-N 3.41Å; F122-D124 VanDerWaalsContact C-N 3.34Å; F122-L125 HydrophobicContact CD1-CD1 4.13Å; F122-L125 HydrophobicContact CE1-CD1 4.37Å; F122-L125 PolarHBondContact O-N 2.95Å; F122-L125 VanDerWaalsContact O-N 3.16Å; F122-N126 WeakPolarHBondContact O-CB 3.31Å; F122-N126 PolarHBondContact O-N 3.14Å
123	G	53.1	Low	54.2	Low	43 Å²	43	93.8 Å²	93.8	44%	0.443	54%	0.543	S	S	.	.	H	α-helix	trans	-70.1	-32.3	173.2	0	0	0	0	0	112.1	R119 L125 N126	R119-G123 WeakPolarHBondContact O-CA 3.4Å; R119-G123 PolarHBondContact O-N 3.25Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.39Å; G123-N126 PolarHBondContact O-N 3.27Å
124	D	52.9	Low	53.2	Low	145 Å²	145	94.3 Å²	94.3	78%	0.775	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.2	169.5	-86.2	-23.9	0	0	0	113.1	R120 F122	R120-D124 PolarHBondContact O-N 2.91Å; F122-D124 VanDerWaalsContact C-N 3.34Å
125	L	47	Very low	51.9	Low	107 Å²	107	99.3 Å²	99.3	56%	0.56	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-4.8	175	-67.9	169	0	0	0	113.1	I121 F122 G123	I121-L125 VanDerWaalsContact O-CD1 3.32Å; I121-L125 WeakPolarHBondContact O-CD1 3.36Å; I121-L125 VanDerWaalsContact O-CG 3.3Å; I121-L125 WeakPolarHBondContact O-CG 3.47Å; F122-L125 HydrophobicContact CD1-CD1 4.13Å; F122-L125 HydrophobicContact CE1-CD1 4.37Å; F122-L125 PolarHBondContact O-N 2.95Å; F122-L125 VanDerWaalsContact O-N 3.16Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.39Å
126	N	44.9	Very low	50.7	Low	126 Å²	126	98 Å²	98	67%	0.674	58%	0.583	S	S	*	*	S	Bend	trans	-110.2	65	-175.6	-167.4	42.4	0	0	0	112	F122 G123	F122-N126 WeakPolarHBondContact O-CB 3.31Å; F122-N126 PolarHBondContact O-N 3.14Å; G123-N126 PolarHBondContact O-N 3.27Å
127	M	43.6	Very low	49.5	Very low	167 Å²	167	97 Å²	97	82%	0.823	57%	0.574	S	S	*	*	S	Bend	trans	-178.2	117.5	150	-92.3	-120.8	167.1	0	0	109.9	K129	M127-K129 VanDerWaalsContact C-N 3.29Å; M127-K129 PolarHBondContact O-N 2.88Å
128	G	42.9	Very low	48.4	Very low	86 Å²	86	100.6 Å²	100.6	89%	0.887	59%	0.594	S	S	*	*			trans	-59.4	78.6	177.6	0	0	0	0	0	114.8
129	K	41.5	Very low	47.4	Very low	84 Å²	84	104.6 Å²	104.6	37%	0.365	61%	0.611	S	S	.	*			trans	-141.2	116.8	170.1	-100.8	171.4	77.4	-163.1	0	112	M127 Q248	M127-K129 VanDerWaalsContact C-N 3.29Å; M127-K129 PolarHBondContact O-N 2.88Å; K129-Q248 HydrophobicContact CD-CB 3.77Å; K129-Q248 VanDerWaalsContact NZ-CD 3.28Å
130	S	38.5	Very low	46.4	Very low	116 Å²	116	100.9 Å²	100.9	81%	0.811	60%	0.604	S	S	*	*			trans	-20.7	126.7	152.6	58.7	0	0	0	0	115.1
131	G	41.5	Very low	45.7	Very low	68 Å²	68	96.4 Å²	96.4	70%	0.701	59%	0.594	S	S	*	*			trans	144.2	89.9	157.1	0	0	0	0	0	115
132	S	36.5	Very low	45	Very low	136 Å²	136	96.4 Å²	96.4	95%	0.951	59%	0.593	S	S	*	*	S	Bend	trans	71.2	89.4	147.5	-49.6	0	0	0	0	118.3
133	G	38.9	Very low	44.5	Very low	75 Å²	75	95.9 Å²	95.9	77%	0.773	59%	0.594	S	S	*	*	S	Bend	trans	164.5	-18.5	159.5	0	0	0	0	0	118
134	F	42	Very low	44.3	Very low	120 Å²	120	101.6 Å²	101.6	53%	0.526	61%	0.609	S	S	.	*			trans	-124.9	78.2	-171.8	-104.6	-105.5	0	0	0	111.6	G136 W137	F134-G136 PolarHBondContact O-N 2.96Å; F134-W137 HydrophobicContact CD1-CB 4.04Å; F134-W137 AromaticContact CD1-CD1 3.1Å; F134-W137 HydrophobicContact CD1-CD2 4.49Å; F134-W137 AromaticContact CD1-CG 3.62Å; F134-W137 HydrophobicContact CD1-CG 3.62Å; F134-W137 AromaticContact CD1-NE1 3.69Å; F134-W137 AromaticContact CE1-CD1 3.28Å; F134-W137 HydrophobicContact CE1-CD2 4.19Å; F134-W137 AromaticContact CE1-CE2 3.93Å; F134-W137 AromaticContact CE1-CG 3.78Å; F134-W137 HydrophobicContact CE1-CG 3.78Å; F134-W137 AromaticContact CE1-NE1 3.35Å; F134-W137 VanDerWaalsContact CE1-NE1 3.35Å
135	S	39.6	Very low	44.2	Very low	135 Å²	135	96 Å²	96	94%	0.944	58%	0.581	S	S	*	*	S	Bend	trans	-90	14	-176.5	99.5	0	0	0	0	115.5
136	G	42.3	Very low	44.4	Very low	50 Å²	50	99 Å²	99	52%	0.515	59%	0.592	S	S	.	*	S	Bend	trans	-137	5.5	-171.4	0	0	0	0	0	116.6	F134	F134-G136 PolarHBondContact O-N 2.96Å
137	W	40.6	Very low	44.7	Very low	92 Å²	92	98.9 Å²	98.9	35%	0.348	59%	0.586	S	S	.	*			trans	-110.1	99.5	-176	-71.1	79.9	0	0	0	110.2	K32 K35 F134 F139	K32-W137 HydrophobicContact CB-CH2 4.33Å; K32-W137 HydrophobicContact CB-CZ2 4.1Å; K32-W137 HydrophobicContact CG-CD2 4.32Å; K32-W137 HydrophobicContact CG-CE3 4.23Å; K32-W137 HydrophobicContact CG-CH2 3.64Å; K32-W137 HydrophobicContact CG-CZ2 3.7Å; K32-W137 HydrophobicContact CG-CZ3 3.9Å; K32-W137 WeakPolarHBondContact O-CH2 3.39Å; K35-W137 HydrophobicContact CB-CH2 3.52Å; K35-W137 HydrophobicContact CB-CZ2 3.52Å; K35-W137 HydrophobicContact CD-CH2 4.46Å; K35-W137 HydrophobicContact CD-CZ2 3.6Å; K35-W137 HydrophobicContact CG-CZ2 4.15Å; F134-W137 HydrophobicContact CD1-CB 4.04Å; F134-W137 AromaticContact CD1-CD1 3.1Å; F134-W137 HydrophobicContact CD1-CD2 4.49Å; F134-W137 AromaticContact CD1-CG 3.62Å; F134-W137 HydrophobicContact CD1-CG 3.62Å; F134-W137 AromaticContact CD1-NE1 3.69Å; F134-W137 AromaticContact CE1-CD1 3.28Å; F134-W137 HydrophobicContact CE1-CD2 4.19Å; F134-W137 AromaticContact CE1-CE2 3.93Å; F134-W137 AromaticContact CE1-CG 3.78Å; F134-W137 HydrophobicContact CE1-CG 3.78Å; F134-W137 AromaticContact CE1-NE1 3.35Å; F134-W137 VanDerWaalsContact CE1-NE1 3.35Å; W137-F139 PolarHBondContact O-N 3.24Å
138	N	44.5	Very low	44.8	Very low	92 Å²	92	91.5 Å²	91.5	49%	0.492	55%	0.553	S	S	.	*			trans	-79.4	107.4	164.9	-153.8	-22.3	0	0	0	107.1	N140 D141	N138-N140 PolarHBondContact O-N 3.15Å; N138-N140 WeakPolarHBondContact OD1-CB 3.18Å; N138-N140 PolarHBondContact OD1-N 2.86Å; N138-D141 HydrophobicContact CB-CB 4.43Å; N138-D141 WeakPolarHBondContact O-CB 3.26Å; N138-D141 PolarHBondContact O-N 2.82Å
139	F	45.8	Very low	45.1	Very low	132 Å²	132	93.5 Å²	93.5	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-58	-26.6	175.7	178.3	-107.5	0	0	0	111.4	W137 D141 F142 A143 F149	W137-F139 PolarHBondContact O-N 3.24Å; F139-D141 PolarHBondContact O-N 3.12Å; F139-F142 PolarHBondContact O-N 2.98Å; F139-A143 PolarHBondContact O-N 3.49Å; F139-F149 HydrophobicContact CE1-CE1 4.44Å; F139-F149 HydrophobicContact CE1-CE2 4.04Å; F139-F149 AromaticContact CE1-CZ 3.45Å; F139-F149 HydrophobicContact CE1-CZ 3.45Å; F139-F149 VanDerWaalsContact CE1-CZ 3.45Å; F139-F149 AromaticContact CE2-CE2 3.99Å; F139-F149 HydrophobicContact CE2-CE2 3.99Å; F139-F149 HydrophobicContact CE2-CZ 4.05Å; F139-F149 HydrophobicContact CZ-CE1 4.01Å; F139-F149 AromaticContact CZ-CE2 3.52Å; F139-F149 HydrophobicContact CZ-CE2 3.52Å; F139-F149 AromaticContact CZ-CZ 3.12Å; F139-F149 HydrophobicContact CZ-CZ 3.12Å
140	N	48.2	Very low	45	Very low	97 Å²	97	95 Å²	95	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-40.1	172.9	-68.3	10.5	0	0	0	112.3	N138 F142 A143 E144	N138-N140 PolarHBondContact O-N 3.15Å; N138-N140 WeakPolarHBondContact OD1-CB 3.18Å; N138-N140 PolarHBondContact OD1-N 2.86Å; N140-F142 PolarHBondContact O-N 3.44Å; N140-A143 PolarHBondContact O-N 3.23Å; N140-E144 WeakPolarHBondContact O-CB 3.15Å; N140-E144 PolarHBondContact O-N 3.31Å
141	D	51.8	Low	45.2	Very low	85 Å²	85	93.6 Å²	93.6	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-62	-29.8	177	-92.8	-25.7	0	0	0	112.9	K32 N138 F139 S145	K32-D141 IonicContact NZ-OD2 2.58Å; K32-D141 PolarHBondContact NZ-OD2 3.49Å; N138-D141 HydrophobicContact CB-CB 4.43Å; N138-D141 WeakPolarHBondContact O-CB 3.26Å; N138-D141 PolarHBondContact O-N 2.82Å; F139-D141 PolarHBondContact O-N 3.12Å; D141-S145 PolarHBondContact O-N 3.18Å
142	F	48.1	Very low	45.2	Very low	38 Å²	38	95.8 Å²	95.8	17%	0.167	55%	0.551	C	S	.	*	H	α-helix	trans	-79.5	-41.9	177.5	178	-102.6	0	0	0	110.7	Y39 F139 N140 E144 S145 G148 F149	Y39-F142 AromaticContact CD1-CE2 3.97Å; Y39-F142 HydrophobicContact CD1-CE2 3.97Å; Y39-F142 AromaticContact CD1-CZ 3.68Å; Y39-F142 HydrophobicContact CD1-CZ 3.68Å; Y39-F142 HydrophobicContact CE1-CE1 4.14Å; Y39-F142 HydrophobicContact CE1-CE2 4.22Å; Y39-F142 AromaticContact CE1-CZ 3.45Å; Y39-F142 HydrophobicContact CE1-CZ 3.45Å; Y39-F142 VanDerWaalsContact CE1-CZ 3.45Å; F139-F142 PolarHBondContact O-N 2.98Å; N140-F142 PolarHBondContact O-N 3.44Å; F142-E144 VanDerWaalsContact C-N 3.33Å; F142-S145 PolarHBondContact O-N 3.36Å; F142-S145 PolarHBondContact O-OG 2.94Å; F142-G148 WeakPolarHBondContact O-CA 3.23Å; F142-F149 HydrophobicContact CD1-CD2 4.31Å; F142-F149 HydrophobicContact CD1-CE2 4.33Å; F142-F149 HydrophobicContact CE1-CD2 4.16Å
143	A	51.2	Low	45.4	Very low	20 Å²	20	95 Å²	95	17%	0.165	53%	0.532	C	S	.	.	H	α-helix	trans	-61.6	-37.3	174.1	0	0	0	0	0	112.6	F139 N140 F149	F139-A143 PolarHBondContact O-N 3.49Å; N140-A143 PolarHBondContact O-N 3.23Å; A143-F149 HydrophobicContact CB-CE2 3.73Å; A143-F149 HydrophobicContact CB-CZ 4.23Å
144	E	48.9	Very low	45.3	Very low	163 Å²	163	98.9 Å²	98.9	76%	0.762	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.8	179	-100.7	164.2	131.2	0	0	114.9	N140 F142	N140-E144 WeakPolarHBondContact O-CB 3.15Å; N140-E144 PolarHBondContact O-N 3.31Å; F142-E144 VanDerWaalsContact C-N 3.33Å
145	S	49.9	Very low	45.1	Very low	26 Å²	26	100 Å²	100	18%	0.182	54%	0.541	C	S	.	.	S	Bend	trans	-77.4	154.6	175.5	70.8	0	0	0	0	111.1	K36 D141 F142 F147 G148	K36-S145 PolarHBondContact NZ-OG 3.36Å; D141-S145 PolarHBondContact O-N 3.18Å; F142-S145 PolarHBondContact O-N 3.36Å; F142-S145 PolarHBondContact O-OG 2.94Å; S145-F147 PolarHBondContact O-N 3.42Å; S145-G148 WeakPolarHBondContact O-CA 3.5Å; S145-G148 PolarHBondContact O-N 3.04Å
146	Q	50.5	Low	45	Very low	172 Å²	172	98.9 Å²	98.9	80%	0.804	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-8.3	-176.4	88.7	178.6	35.5	0	0	115.8
147	F	52.4	Low	44.8	Very low	123 Å²	123	100.6 Å²	100.6	54%	0.539	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	1.6	-179.5	-55.1	-70.3	0	0	0	112.7	S145	S145-F147 PolarHBondContact O-N 3.42Å
148	G	45	Very low	44.9	Very low	12 Å²	12	104.6 Å²	104.6	12%	0.124	56%	0.557	C	S	.	*	S	Bend	trans	-63.8	149	167	0	0	0	0	0	109.9	F142 S145 D150	F142-G148 WeakPolarHBondContact O-CA 3.23Å; S145-G148 WeakPolarHBondContact O-CA 3.5Å; S145-G148 PolarHBondContact O-N 3.04Å; G148-D150 PolarHBondContact O-N 3.47Å
149	F	50.1	Low	44.6	Very low	127 Å²	127	107.4 Å²	107.4	56%	0.557	57%	0.572	S	S	*	*	S	Bend	trans	-76.6	28.1	-171	58.2	112.3	0	0	0	112.8	F139 F142 A143	F139-F149 HydrophobicContact CE1-CE1 4.44Å; F139-F149 HydrophobicContact CE1-CE2 4.04Å; F139-F149 AromaticContact CE1-CZ 3.45Å; F139-F149 HydrophobicContact CE1-CZ 3.45Å; F139-F149 VanDerWaalsContact CE1-CZ 3.45Å; F139-F149 AromaticContact CE2-CE2 3.99Å; F139-F149 HydrophobicContact CE2-CE2 3.99Å; F139-F149 HydrophobicContact CE2-CZ 4.05Å; F139-F149 HydrophobicContact CZ-CE1 4.01Å; F139-F149 AromaticContact CZ-CE2 3.52Å; F139-F149 HydrophobicContact CZ-CE2 3.52Å; F139-F149 AromaticContact CZ-CZ 3.12Å; F139-F149 HydrophobicContact CZ-CZ 3.12Å; F142-F149 HydrophobicContact CD1-CD2 4.31Å; F142-F149 HydrophobicContact CD1-CE2 4.33Å; F142-F149 HydrophobicContact CE1-CD2 4.16Å; A143-F149 HydrophobicContact CB-CE2 3.73Å; A143-F149 HydrophobicContact CB-CZ 4.23Å
150	D	38.2	Very low	44.3	Very low	116 Å²	116	106.6 Å²	106.6	62%	0.62	58%	0.579	S	S	*	*			trans	-132.5	98.7	179.6	-156	27.8	0	0	0	105.5	G148	G148-D150 PolarHBondContact O-N 3.47Å
151	S	42.4	Very low	43.7	Very low	87 Å²	87	108.4 Å²	108.4	61%	0.608	59%	0.594	S	S	*	*			cis	-156.1	132.7	43.7	20.4	0	0	0	0	108.3	Q153	S151-Q153 PolarHBondContact O-N 2.92Å
152	A	41.4	Very low	43.2	Very low	113 Å²	113	114.9 Å²	114.9	93%	0.934	61%	0.614	S	S	*	*	S	Bend	trans	-76.4	65	165.5	0	0	0	0	0	109.3
153	Q	42	Very low	42.8	Very low	119 Å²	119	119.9 Å²	119.9	56%	0.556	64%	0.641	S	S	*	*	S	Bend	trans	-166.8	131.2	170.1	-110.1	163.7	-10.1	0	0	103.3	S151	S151-Q153 PolarHBondContact O-N 2.92Å
154	E	35.8	Very low	41.9	Very low	157 Å²	157	127.3 Å²	127.3	73%	0.734	68%	0.677	S	S	*	*	S	Bend	trans	93.1	42.9	-171.4	-50	-63	124.9	0	0	117.2
155	L	38.9	Very low	41.1	Very low	145 Å²	145	127.2 Å²	127.2	76%	0.759	68%	0.676	S	S	*	*			trans	-136.6	52.4	147.7	-76.5	-179.5	0	0	0	110.2
156	S	38.1	Very low	40.6	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	71%	0.706	S	S	*	*	S	Bend	trans	-95.2	0.5	169.6	53.1	0	0	0	0	113.5
157	S	37.9	Very low	39.7	Very low	86 Å²	86	129.7 Å²	129.7	60%	0.601	70%	0.698	S	S	*	*	S	Bend	trans	-107.6	-0.4	-175	53.3	0	0	0	0	115.9
158	F	42.6	Very low	38.8	Very low	176 Å²	176	133.6 Å²	133.6	77%	0.772	72%	0.715	S	S	*	*	S	Bend	trans	-136.9	24.8	-175.4	-78.3	-78.2	0	0	0	115.7	P160	F158-P160 WeakPolarHBondContact O-CD 3.26Å
159	L	37.2	Very low	38.3	Very low	151 Å²	151	140 Å²	140	79%	0.791	75%	0.746	S	S	*	*			trans	-94.6	113.8	167.9	-69.1	178.5	0	0	0	110.1	T161	L159-T161 PolarHBondContact O-N 2.68Å
160	P	40.6	Very low	37.6	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	76%	0.756	S	S	*	*			trans	-60.5	127.8	165.4	11.4	-6.8	0	0	0	108.5	F158 Y162	F158-P160 WeakPolarHBondContact O-CD 3.26Å; P160-Y162 PolarHBondContact O-N 3.44Å
161	T	34.9	Very low	37.7	Very low	136 Å²	136	141.7 Å²	141.7	83%	0.834	76%	0.764	S	S	*	*	S	Bend	trans	-40.7	100.1	170.5	38.5	0	0	0	0	112.5	L159	L159-T161 PolarHBondContact O-N 2.68Å
162	Y	41.7	Very low	37.2	Very low	220 Å²	220	142.5 Å²	142.5	86%	0.863	78%	0.776	S	S	*	*			trans	-173	147.7	145.8	-128.9	-111.3	0	0	0	108.8	P160	P160-Y162 PolarHBondContact O-N 3.44Å
163	I	38.9	Very low	37.1	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	77%	0.768	S	S	*	*			trans	88.6	59.9	174.6	-44	168	0	0	0	114.5
164	L	32.2	Very low	37	Very low	177 Å²	177	141.9 Å²	141.9	93%	0.927	78%	0.778	S	S	*	*			trans	-87.9	80.9	140.6	-90.2	173.5	0	0	0	108.2
165	H	33.7	Very low	36.7	Very low	160 Å²	160	141 Å²	141	74%	0.741	77%	0.772	S	S	*	*			trans	-172.3	108	157.1	-123.1	-150.8	0	0	0	105.7
166	L	39	Very low	36.6	Very low	155 Å²	155	141 Å²	141	81%	0.812	77%	0.771	S	S	*	*			trans	161.6	121.6	133.5	-81.9	169.5	0	0	0	109.6
167	C	31.3	Very low	36.4	Very low	95 Å²	95	141.3 Å²	141.3	64%	0.642	76%	0.763	S	S	*	*			trans	51.7	111.3	142.7	-65.7	0	0	0	0	117.1
168	K	32.8	Very low	36.1	Very low	205 Å²	205	142 Å²	142	89%	0.891	76%	0.76	S	S	*	*			cis	45.9	74.1	44.3	-131.3	155.3	-165.5	166.9	0	111.2
169	L	35.9	Very low	35.5	Very low	148 Å²	148	141 Å²	141	78%	0.775	76%	0.762	S	S	*	*			trans	-162.6	132.5	151.8	-105.2	139.3	0	0	0	110.9
170	E	33.9	Very low	35.6	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	75%	0.746	S	S	*	*			trans	-55.7	149.4	178.4	-67.4	113.2	132.1	0	0	113.3
171	S	40.6	Very low	35.7	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	74%	0.744	S	S	*	*				174.4	119.7	103.5	44.1	0	0	0	0	111.7
172	A	32.2	Very low	36.6	Very low	104 Å²	104	137.1 Å²	137.1	86%	0.86	74%	0.736	S	S	*	*			trans	23.4	102.8	144	0	0	0	0	0	118.5
173	S	39.9	Very low	37.5	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	71%	0.705	S	S	*	*			trans	-138.9	90.4	147.4	60.1	0	0	0	0	109.9
174	S	39.4	Very low	38.7	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	70%	0.695	S	S	*	*			trans	39.9	93.1	132.4	-27.4	0	0	0	0	117.7	I176	S174-I176 PolarHBondContact O-N 2.86Å
175	F	29.3	Very low	40.6	Very low	140 Å²	140	119.6 Å²	119.6	61%	0.614	67%	0.669	S	S	*	*				36.3	85.1	129.2	-115.5	-90	0	0	0	117.4	I177 T270	F175-I177 HydrophobicContact CD1-CD1 4.38Å; F175-I177 HydrophobicContact CD1-CG1 3.87Å; F175-I177 HydrophobicContact CE1-CD1 3.96Å; F175-I177 HydrophobicContact CE1-CG1 3.66Å; F175-T270 HydrophobicContact CE1-CG2 3.57Å; F175-T270 HydrophobicContact CE2-CG2 4.27Å; F175-T270 HydrophobicContact CZ-CG2 3.25Å
176	I	37	Very low	43	Very low	144 Å²	144	113.7 Å²	113.7	74%	0.738	64%	0.644	S	S	*	*			trans	-112.3	114.3	149.6	-55.6	178	0	0	0	105.8	S174 L178	S174-I176 PolarHBondContact O-N 2.86Å; I176-L178 HydrophobicContact CG2-CG 4.37Å; I176-L178 PolarHBondContact O-N 2.95Å
177	I	32.6	Very low	45.2	Very low	118 Å²	118	112.1 Å²	112.1	61%	0.605	64%	0.635	S	S	*	*			trans	-70.4	88.4	168.7	-58.5	179.4	0	0	0	106.1	F175 D179	F175-I177 HydrophobicContact CD1-CD1 4.38Å; F175-I177 HydrophobicContact CD1-CG1 3.87Å; F175-I177 HydrophobicContact CE1-CD1 3.96Å; F175-I177 HydrophobicContact CE1-CG1 3.66Å; I177-D179 PolarHBondContact O-N 2.79Å
178	L	33.2	Very low	47.7	Very low	101 Å²	101	108.3 Å²	108.3	53%	0.529	61%	0.608	S	S	.	*			trans	-76.2	103.7	155.3	-77.8	160	0	0	0	105.9	I176 V180	I176-L178 HydrophobicContact CG2-CG 4.37Å; I176-L178 PolarHBondContact O-N 2.95Å; L178-V180 HydrophobicContact CB-CB 4.35Å; L178-V180 HydrophobicContact CB-CG2 4.09Å; L178-V180 HydrophobicContact CD2-CG2 3.77Å; L178-V180 HydrophobicContact CG-CG2 4.42Å; L178-V180 PolarHBondContact O-N 3.37Å
179	D	30.2	Very low	50.4	Low	153 Å²	153	105.4 Å²	105.4	82%	0.818	60%	0.602	S	S	*	*			trans	-73.8	53.8	149	-77.4	-46.8	0	0	0	108.4	I177	I177-D179 PolarHBondContact O-N 2.79Å
180	V	38.9	Very low	52.8	Low	76 Å²	76	100.1 Å²	100.1	46%	0.461	58%	0.575	S	S	.	*	S	Bend	trans	-79.7	121.9	148.9	177.1	0	0	0	0	102.6	L178 H182	L178-V180 HydrophobicContact CB-CB 4.35Å; L178-V180 HydrophobicContact CB-CG2 4.09Å; L178-V180 HydrophobicContact CD2-CG2 3.77Å; L178-V180 HydrophobicContact CG-CG2 4.42Å; L178-V180 PolarHBondContact O-N 3.37Å; V180-H182 VanDerWaalsContact C-N 3.3Å; V180-H182 PolarHBondContact O-CD2 2.87Å; V180-H182 PolarHBondContact O-N 3.22Å
181	S	41.2	Very low	55.5	Low	99 Å²	99	95 Å²	95	69%	0.692	56%	0.557	S	S	*	*			trans	-49.1	99.6	172.7	50.7	0	0	0	0	108.7	N183	S181-N183 PolarHBondContact O-N 3.46Å
182	H	54.2	Low	57.8	Low	145 Å²	145	98.3 Å²	98.3	67%	0.671	56%	0.558	S	S	*	*			trans	-68.9	49.9	176.2	-88.3	-80	0	0	0	110.8	V180 S184	V180-H182 VanDerWaalsContact C-N 3.3Å; V180-H182 PolarHBondContact O-CD2 2.87Å; V180-H182 PolarHBondContact O-N 3.22Å; H182-S184 PolarHBondContact O-N 3.5Å
183	N	60.3	Low	60.6	Low	38 Å²	38	99.4 Å²	99.4	20%	0.203	55%	0.545	C	S	.	.			trans	-90.1	63.8	170.2	-95.5	28.8	0	0	0	108.1	S181 E301 F303	S181-N183 PolarHBondContact O-N 3.46Å; N183-E301 PolarHBondContact ND2-O 3.49Å; N183-E301 PolarHBondContact OD1-O 2.75Å; N183-F303 HydrophobicContact CB-CD2 3.87Å; N183-F303 HydrophobicContact CB-CE2 4.15Å; N183-F303 VanDerWaalsContact ND2-CD2 3.31Å; N183-F303 WeakPolarHBondContact ND2-CD2 3.35Å; N183-F303 VanDerWaalsContact ND2-CE2 3.29Å; N183-F303 WeakPolarHBondContact ND2-CE2 3.47Å
184	S	65.7	Low	63	Low	77 Å²	77	96.3 Å²	96.3	54%	0.538	52%	0.518	S	S	.	.			trans	-54.7	126.5	166.2	-175.2	0	0	0	0	107.4	H182 V186	H182-S184 PolarHBondContact O-N 3.5Å; S184-V186 PolarHBondContact O-N 2.74Å
185	P	71.6	Confident	65.4	Low	57 Å²	57	92 Å²	92	37%	0.37	49%	0.489	S	S	.	.			trans	-59.6	131.6	177.5	24.3	-32.1	0	0	0	108.5	F303	P185-F303 WeakPolarHBondContact CA-O 3.1Å
186	V	83.6	Confident	68.3	Low	36 Å²	36	87.9 Å²	87.9	22%	0.218	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116	173.5	-179.8	0	0	0	0	107	S184 I203 V205 V302 F303 V304 T305	S184-V186 PolarHBondContact O-N 2.74Å; V186-I203 HydrophobicContact CG1-CD1 4.25Å; V186-V205 HydrophobicContact CG2-CG1 4.11Å; V186-V205 HydrophobicContact CG2-CG2 4.14Å; V186-V302 HydrophobicContact CG2-CG1 3.97Å; V186-F303 PolarHBondContact N-O 3.01Å; V186-V304 CarbonylContact O-C 3.55Å; V186-V304 WeakPolarHBondContact O-CA 3.35Å; V186-T305 PolarHBondContact O-N 3.32Å
187	I	85.3	Confident	70.9	Confident	123 Å²	123	88.6 Å²	88.6	63%	0.631	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.9	177.5	-57.1	172.9	0	0	0	108.6	T305	I187-T305 CarbonylContact C-O 3.6Å; I187-T305 WeakPolarHBondContact CA-O 2.88Å
188	M	84.8	Confident	73.7	Confident	14 Å²	14	84.1 Å²	84.1	7%	0.069	46%	0.462	C	S	.	.			trans	-114.3	108.6	178.5	-178.2	-171.4	-71.5	0	0	110.3	L190 R201 I203 V281 V283 V304 T305 F306	M188-L190 HydrophobicContact CG-CD2 4.11Å; M188-L190 HydrophobicContact CG-CG 4.26Å; M188-L190 PolarHBondContact O-N 3.47Å; M188-L190 HydrophobicContact SD-CD1 4.46Å; M188-L190 HydrophobicContact SD-CD2 3.75Å; M188-L190 HydrophobicContact SD-CG 4.18Å; M188-R201 HydrophobicContact CE-CB 3.9Å; M188-R201 HydrophobicContact SD-CB 3.94Å; M188-R201 HydrophobicContact SD-CG 4.29Å; M188-I203 HydrophobicContact CE-CG2 3.24Å; M188-V281 HydrophobicContact CE-CB 4.01Å; M188-V281 HydrophobicContact CE-CG1 4.12Å; M188-V281 HydrophobicContact CE-CG2 4.41Å; M188-V283 HydrophobicContact SD-CG2 3.94Å; M188-V304 HydrophobicContact CB-CG1 3.96Å; M188-V304 HydrophobicContact CE-CG1 4.1Å; M188-T305 PolarHBondContact N-O 3.49Å; M188-F306 HydrophobicContact CB-CD1 4.19Å; M188-F306 HydrophobicContact CB-CE1 4.45Å; M188-F306 HydrophobicContact SD-CD1 4.12Å; M188-F306 HydrophobicContact SD-CE1 3.75Å
189	N	88.1	Confident	76.5	Confident	144 Å²	144	81 Å²	81	77%	0.77	45%	0.447	S	S	*	.			trans	-73.5	123.3	172.6	-59.2	-66.5	0	0	0	110.4
190	L	85.8	Confident	79.5	Confident	38 Å²	38	78.1 Å²	78.1	20%	0.199	44%	0.435	C	S	.	.			trans	-115.1	151.2	173.7	-65.1	175.5	0	0	0	110.2	M188 E194 V199 R201 V283 I287 F306	M188-L190 HydrophobicContact CG-CD2 4.11Å; M188-L190 HydrophobicContact CG-CG 4.26Å; M188-L190 PolarHBondContact O-N 3.47Å; M188-L190 HydrophobicContact SD-CD1 4.46Å; M188-L190 HydrophobicContact SD-CD2 3.75Å; M188-L190 HydrophobicContact SD-CG 4.18Å; L190-E194 HydrophobicContact CB-CB 4.45Å; L190-E194 HydrophobicContact CD2-CB 4.47Å; L190-V199 HydrophobicContact CD2-CG1 3.86Å; L190-R201 HydrophobicContact CD2-CG 4.07Å; L190-V283 HydrophobicContact CD1-CB 4.36Å; L190-V283 HydrophobicContact CD1-CG1 3.64Å; L190-V283 HydrophobicContact CD1-CG2 4.15Å; L190-I287 HydrophobicContact CD1-CG2 4.18Å; L190-F306 HydrophobicContact CD1-CD1 3.5Å; L190-F306 VanDerWaalsContact CD1-CD1 3.5Å; L190-F306 HydrophobicContact CD1-CE1 4.02Å; L190-F306 HydrophobicContact CD1-CG 4.29Å; L190-F306 HydrophobicContact CG-CD1 4.23Å
191	S	91.3	Very high	81.8	Confident	57 Å²	57	79.5 Å²	79.5	40%	0.399	43%	0.432	S	S	.	.			trans	-76.6	154.9	166.6	72.2	0	0	0	0	110.2	E193 E194 A195	S191-E193 PolarHBondContact O-N 2.91Å; S191-E194 WeakPolarHBondContact O-CB 3.23Å; S191-E194 PolarHBondContact O-N 2.72Å; S191-E194 WeakPolarHBondContact OG-CB 3.31Å; S191-E194 VanDerWaalsContact OG-CG 3.26Å; S191-E194 WeakPolarHBondContact OG-CG 3.44Å; S191-E194 PolarHBondContact OG-N 3.47Å; S191-A195 PolarHBondContact O-N 3.16Å
192	F	89.2	Confident	84.1	Confident	181 Å²	181	80.4 Å²	80.4	79%	0.794	43%	0.429	S	S	*	.	H	α-helix	trans	-52.5	-39.4	176.5	178	-99.3	0	0	0	112.4	A195 A196	F192-A195 PolarHBondContact O-N 3.21Å; F192-A196 VanDerWaalsContact O-CB 3.28Å; F192-A196 WeakPolarHBondContact O-CB 3.3Å; F192-A196 PolarHBondContact O-N 3.39Å
193	E	90.8	Very high	85.6	Confident	128 Å²	128	74.6 Å²	74.6	60%	0.598	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-37.5	177.5	-62.3	-176.2	-164.7	0	0	113	S191 A196 K197	S191-E193 PolarHBondContact O-N 2.91Å; E193-A196 PolarHBondContact O-N 2.81Å; E193-K197 WeakPolarHBondContact O-CB 3.36Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 3.41Å
194	E	90.1	Very high	86.9	Confident	46 Å²	46	76.3 Å²	76.3	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-70.6	-39.1	177.6	-75.4	-179.8	166.3	0	0	111.7	L190 S191 G198 V199 R201	L190-E194 HydrophobicContact CB-CB 4.45Å; L190-E194 HydrophobicContact CD2-CB 4.47Å; S191-E194 WeakPolarHBondContact O-CB 3.23Å; S191-E194 PolarHBondContact O-N 2.72Å; S191-E194 WeakPolarHBondContact OG-CB 3.31Å; S191-E194 VanDerWaalsContact OG-CG 3.26Å; S191-E194 WeakPolarHBondContact OG-CG 3.44Å; S191-E194 PolarHBondContact OG-N 3.47Å; E194-G198 CarbonylContact O-C 3.45Å; E194-G198 VanDerWaalsContact O-CA 3.27Å; E194-G198 WeakPolarHBondContact O-CA 3.45Å; E194-G198 PolarHBondContact O-N 2.83Å; E194-V199 HydrophobicContact CB-CB 4.32Å; E194-V199 HydrophobicContact CB-CG1 3.83Å; E194-V199 HydrophobicContact CG-CB 4.37Å; E194-V199 HydrophobicContact CG-CG1 4.24Å; E194-R201 IonicContact OE1-CZ 2.68Å; E194-R201 VanDerWaalsContact OE1-CZ 3.29Å; E194-R201 IonicContact OE1-NE 2.76Å; E194-R201 IonicContact OE1-NH2 3.45Å; E194-R201 PolarHBondContact OE1-NH2 2.92Å; E194-R201 IonicContact OE2-CZ 3.26Å; E194-R201 IonicContact OE2-NE 3.29Å; E194-R201 PolarHBondContact OE2-NE 3.1Å; E194-R201 IonicContact OE2-NH2 3.13Å; E194-R201 PolarHBondContact OE2-NH2 2.87Å
195	A	89.8	Confident	87.9	Confident	17 Å²	17	73.3 Å²	73.3	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-41.5	172.4	0	0	0	0	0	111.7	S191 F192 G286 I287	S191-A195 PolarHBondContact O-N 3.16Å; F192-A195 PolarHBondContact O-N 3.21Å; A195-G286 PolarHBondContact O-N 2.76Å; A195-I287 HydrophobicContact CB-CG2 3.68Å; A195-I287 PolarHBondContact O-N 3.01Å
196	A	90.3	Very high	88.7	Confident	54 Å²	54	75.3 Å²	75.3	45%	0.446	40%	0.404	S	S	.	.	H	α-helix	trans	-70.3	-38.5	-179.4	0	0	0	0	0	113.5	F192 E193	F192-A196 VanDerWaalsContact O-CB 3.28Å; F192-A196 WeakPolarHBondContact O-CB 3.3Å; F192-A196 PolarHBondContact O-N 3.39Å; E193-A196 PolarHBondContact O-N 2.81Å
197	K	92.4	Very high	88.8	Confident	158 Å²	158	73.9 Å²	73.9	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-93.3	-20.2	-177.3	-66.8	173.2	-176.8	164.3	0	113.8	E193 A285	E193-K197 WeakPolarHBondContact O-CB 3.36Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 3.41Å; K197-A285 WeakPolarHBondContact O-CB 3.4Å
198	G	91.3	Very high	88.9	Confident	25 Å²	25	70.2 Å²	70.2	26%	0.258	38%	0.378	S	S	.	.			trans	79	146.3	-166.9	0	0	0	0	0	111.7	E194 V283	E194-G198 CarbonylContact O-C 3.45Å; E194-G198 VanDerWaalsContact O-CA 3.27Å; E194-G198 WeakPolarHBondContact O-CA 3.45Å; E194-G198 PolarHBondContact O-N 2.83Å; G198-V283 CarbonylContact C-O 3.49Å; G198-V283 WeakPolarHBondContact CA-O 3.3Å
199	V	92.1	Very high	89.1	Confident	35 Å²	35	71 Å²	71	21%	0.212	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	147.8	-177.8	63.4	0	0	0	0	110.9	L190 E194 R201 V283	L190-V199 HydrophobicContact CD2-CG1 3.86Å; E194-V199 HydrophobicContact CB-CB 4.32Å; E194-V199 HydrophobicContact CB-CG1 3.83Å; E194-V199 HydrophobicContact CG-CB 4.37Å; E194-V199 HydrophobicContact CG-CG1 4.24Å; V199-R201 HydrophobicContact CG1-CG 3.8Å; V199-R201 HydrophobicContact CG2-CG 4.14Å; V199-V283 HydrophobicContact CG1-CB 4.29Å; V199-V283 HydrophobicContact CG1-CG2 4.33Å; V199-V283 PolarHBondContact N-O 3.3Å; V199-V283 VanDerWaalsContact N-O 3.14Å; V199-V283 WeakPolarHBondContact O-CA 3.35Å; V199-V283 VanDerWaalsContact O-CB 3.26Å; V199-V283 WeakPolarHBondContact O-CB 3.45Å; V199-V283 WeakPolarHBondContact O-CG2 3.47Å; V199-V283 PolarHBondContact O-N 3.05Å
200	T	92.1	Very high	89.3	Confident	92 Å²	92	66.2 Å²	66.2	56%	0.564	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	113	167.9	-54.5	0	0	0	0	109.1	A280 V281	T200-A280 HydrophobicContact CG2-CB 4Å; T200-V281 WeakPolarHBondContact CA-O 3.43Å
201	R	87.4	Confident	89.6	Confident	106 Å²	106	64.4 Å²	64.4	40%	0.4	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.1	178.6	-72.7	-64.1	-162.2	157.5	6.7	111	M188 L190 E194 V199 V281	M188-R201 HydrophobicContact CE-CB 3.9Å; M188-R201 HydrophobicContact SD-CB 3.94Å; M188-R201 HydrophobicContact SD-CG 4.29Å; L190-R201 HydrophobicContact CD2-CG 4.07Å; E194-R201 IonicContact OE1-CZ 2.68Å; E194-R201 VanDerWaalsContact OE1-CZ 3.29Å; E194-R201 IonicContact OE1-NE 2.76Å; E194-R201 IonicContact OE1-NH2 3.45Å; E194-R201 PolarHBondContact OE1-NH2 2.92Å; E194-R201 IonicContact OE2-CZ 3.26Å; E194-R201 IonicContact OE2-NE 3.29Å; E194-R201 PolarHBondContact OE2-NE 3.1Å; E194-R201 IonicContact OE2-NH2 3.13Å; E194-R201 PolarHBondContact OE2-NH2 2.87Å; V199-R201 HydrophobicContact CG1-CG 3.8Å; V199-R201 HydrophobicContact CG2-CG 4.14Å; R201-V281 PolarHBondContact N-O 3.09Å; R201-V281 PolarHBondContact O-N 3.5Å
202	N	89.4	Confident	89.7	Confident	118 Å²	118	65.1 Å²	65.1	63%	0.631	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.6	175	-68.8	-32.4	0	0	0	109.7	T278 V279 A280	N202-T278 HydrophobicContact CB-CG2 3.94Å; N202-V279 WeakPolarHBondContact CA-O 3.49Å; N202-A280 WeakPolarHBondContact OD1-CA 3.49Å; N202-A280 WeakPolarHBondContact OD1-CB 3.47Å
203	I	87	Confident	89.9	Confident	22 Å²	22	60.4 Å²	60.4	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.5	173.5	60.8	173.5	0	0	0	110.5	V186 M188 V205 T278 V279 V281 V304	V186-I203 HydrophobicContact CG1-CD1 4.25Å; M188-I203 HydrophobicContact CE-CG2 3.24Å; I203-V205 HydrophobicContact CB-CG2 4.46Å; I203-V205 HydrophobicContact CD1-CG2 3.59Å; I203-V205 HydrophobicContact CG1-CG2 3.79Å; I203-T278 CarbonylContact O-C 3.56Å; I203-T278 VanDerWaalsContact O-CA 3.29Å; I203-T278 WeakPolarHBondContact O-CA 3.19Å; I203-V279 HydrophobicContact CG1-CB 4.5Å; I203-V279 PolarHBondContact N-O 2.81Å; I203-V279 PolarHBondContact O-N 3.24Å; I203-V281 HydrophobicContact CD1-CG2 3.54Å; I203-V281 HydrophobicContact CG1-CG2 3.64Å; I203-V304 HydrophobicContact CD1-CG2 3.58Å
204	S	86.6	Confident	90	Very high	74 Å²	74	54.6 Å²	54.6	52%	0.517	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.8	172.5	-64.8	0	0	0	0	109.6	K277 T278	S204-K277 WeakPolarHBondContact CA-O 3.3Å; S204-T278 PolarHBondContact OG-OG1 2.88Å
205	V	87.1	Confident	90.1	Very high	14 Å²	14	56.4 Å²	56.4	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.9	-179.2	-168	0	0	0	0	109.4	V186 I203 V207 K277 V302	V186-V205 HydrophobicContact CG2-CG1 4.11Å; V186-V205 HydrophobicContact CG2-CG2 4.14Å; I203-V205 HydrophobicContact CB-CG2 4.46Å; I203-V205 HydrophobicContact CD1-CG2 3.59Å; I203-V205 HydrophobicContact CG1-CG2 3.79Å; V205-V207 HydrophobicContact CB-CG2 4.26Å; V205-V207 HydrophobicContact CG1-CG2 4.07Å; V205-V207 PolarHBondContact O-N 3.19Å; V205-K277 PolarHBondContact N-O 3.04Å; V205-K277 PolarHBondContact O-N 2.9Å; V205-V302 HydrophobicContact CG1-CG1 3.95Å; V205-V302 HydrophobicContact CG1-CG2 3.97Å; V205-V302 HydrophobicContact CG2-CG1 4.26Å
206	N	87.3	Confident	90.1	Very high	99 Å²	99	57.1 Å²	57.1	53%	0.529	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.5	172.1	-66.5	-27.8	0	0	0	108.4	V274	N206-V274 HydrophobicContact CB-CG1 3.77Å
207	V	86.2	Confident	90.1	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.6	-179.1	-175.6	0	0	0	0	108.5	V205 D209 Q275 V297 K300 V302	V205-V207 HydrophobicContact CB-CG2 4.26Å; V205-V207 HydrophobicContact CG1-CG2 4.07Å; V205-V207 PolarHBondContact O-N 3.19Å; V207-D209 PolarHBondContact O-N 3.06Å; V207-Q275 PolarHBondContact N-O 2.81Å; V207-Q275 PolarHBondContact O-N 3.28Å; V207-V297 HydrophobicContact CG2-CB 4.27Å; V207-V297 HydrophobicContact CG2-CG1 3.93Å; V207-K300 HydrophobicContact CG1-CB 3.77Å; V207-K300 HydrophobicContact CG1-CD 3.96Å; V207-K300 HydrophobicContact CG1-CG 4.05Å; V207-V302 HydrophobicContact CG2-CG2 4.34Å
208	V	88.1	Confident	90.1	Very high	46 Å²	46	58.6 Å²	58.6	28%	0.279	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115	170.5	177.5	0	0	0	0	107.9	N272 V274 K300	V208-N272 HydrophobicContact CG1-CB 3.61Å; V208-V274 HydrophobicContact CG2-CG2 4.1Å; V208-K300 HydrophobicContact CB-CD 4.31Å; V208-K300 WeakPolarHBondContact O-CD 3.17Å; V208-K300 VanDerWaalsContact O-CE 3.23Å; V208-K300 WeakPolarHBondContact O-CE 3.29Å
209	D	89	Confident	90.1	Very high	29 Å²	29	57.7 Å²	57.7	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	175	176.1	-155.7	-6.9	0	0	0	110.6	V207 C211 N272 T273 K277	V207-D209 PolarHBondContact O-N 3.06Å; D209-C211 PolarHBondContact O-N 3.19Å; D209-N272 CarbonylContact O-C 3.56Å; D209-N272 WeakPolarHBondContact O-CA 3.21Å; D209-N272 WeakPolarHBondContact O-CB 3.2Å; D209-T273 PolarHBondContact N-O 3.23Å; D209-T273 PolarHBondContact O-N 3.24Å; D209-K277 WeakPolarHBondContact OD2-CE 3.14Å; D209-K277 IonicContact OD2-NZ 3.33Å; D209-K277 PolarHBondContact OD2-NZ 3.45Å
210	T	92.2	Very high	90.1	Very high	44 Å²	44	57.3 Å²	57.3	27%	0.27	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	130.1	177.2	-48.9	0	0	0	0	109.5	S215 Q275	T210-S215 VanDerWaalsContact CG2-C 3.43Å; T210-Q275 PolarHBondContact O-NE2 3.22Å
211	C	92.8	Very high	90.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	31%	0.31	C	S	.	.			trans	-55.9	126.7	-179.3	174.5	0	0	0	0	110.8	D209 K213 S215 C267 G271 T273	D209-C211 PolarHBondContact O-N 3.19Å; C211-K213 PolarHBondContact O-N 3.42Å; C211-S215 WeakPolarHBondContact O-CA 3.1Å; C211-S215 PolarHBondContact O-N 3.27Å; C211-C267 HydrophobicContact CB-CB 3.74Å; C211-G271 WeakPolarHBondContact CB-O 3.27Å; C211-G271 PolarHBondContact N-O 2.69Å; C211-T273 HydrophobicContact CB-CG2 3.85Å
212	P	92.3	Very high	90.2	Very high	72 Å²	72	55.3 Å²	55.3	47%	0.468	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.3	-174	27.9	-31.4	0	0	0	111.7	E266 T273	P212-E266 WeakPolarHBondContact CD-OE1 3.39Å; P212-E266 WeakPolarHBondContact CG-OE1 3.31Å; P212-T273 VanDerWaalsContact CD-OG1 3.31Å; P212-T273 WeakPolarHBondContact CD-OG1 2.95Å
213	K	93.6	Very high	90.2	Very high	81 Å²	81	56.5 Å²	56.5	35%	0.352	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-47.1	179.2	-177	179.5	-169.8	-162.5	0	114.1	C211 E220 P221 E266	C211-K213 PolarHBondContact O-N 3.42Å; K213-E220 WeakPolarHBondContact CE-OE1 3.17Å; K213-E220 WeakPolarHBondContact CE-OE2 3.45Å; K213-E220 IonicContact NZ-OE1 2.78Å; K213-E220 PolarHBondContact NZ-OE1 3.49Å; K213-E220 IonicContact NZ-OE2 2.72Å; K213-E220 PolarHBondContact NZ-OE2 2.85Å; K213-P221 HydrophobicContact CG-CG 3.89Å; K213-P221 WeakPolarHBondContact O-CG 3.04Å; K213-E266 HydrophobicContact CB-CB 4.29Å; K213-E266 WeakPolarHBondContact CB-OE2 3.15Å; K213-E266 HydrophobicContact CD-CB 4.18Å; K213-E266 PolarHBondContact N-OE2 3.21Å
214	C	93.1	Very high	90.3	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.041	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-6.8	-179	72.9	0	0	0	0	114.4	G216 K217 K218 T219 C264	C214-G216 PolarHBondContact O-N 2.73Å; C214-K217 HydrophobicContact CB-CB 4.47Å; C214-K217 VanDerWaalsContact O-CB 3.23Å; C214-K217 WeakPolarHBondContact O-CB 3.24Å; C214-K217 VanDerWaalsContact O-CG 3.26Å; C214-K217 WeakPolarHBondContact O-CG 3.46Å; C214-K217 PolarHBondContact O-N 3.13Å; C214-K218 PolarHBondContact SG-N 3.04Å; C214-K218 VanDerWaalsContact SG-N 3.44Å; C214-T219 WeakPolarHBondContact CB-O 3.28Å; C214-C264 HydrophobicContact CB-CB 3.83Å
215	S	92.2	Very high	90.4	Very high	85 Å²	85	63.7 Å²	63.7	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	38.1	-174.6	-45	0	0	0	0	112.9	T210 C211 K217	T210-S215 VanDerWaalsContact CG2-C 3.43Å; C211-S215 WeakPolarHBondContact O-CA 3.1Å; C211-S215 PolarHBondContact O-N 3.27Å; S215-K217 VanDerWaalsContact C-N 3.35Å; S215-K217 PolarHBondContact O-N 3.46Å
216	G	90.1	Very high	90.6	Very high	31 Å²	31	65.8 Å²	65.8	32%	0.32	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	0.7	-179.2	0	0	0	0	0	115.7	C214 K218	C214-G216 PolarHBondContact O-N 2.73Å; G216-K218 PolarHBondContact O-N 2.93Å
217	K	91	Very high	90.9	Very high	150 Å²	150	64.7 Å²	64.7	65%	0.652	36%	0.364	S	S	*	.			trans	-71.1	-13.7	178.5	-66.1	175.9	-177	175.4	0	114.3	C214 S215 T219	C214-K217 HydrophobicContact CB-CB 4.47Å; C214-K217 VanDerWaalsContact O-CB 3.23Å; C214-K217 WeakPolarHBondContact O-CB 3.24Å; C214-K217 VanDerWaalsContact O-CG 3.26Å; C214-K217 WeakPolarHBondContact O-CG 3.46Å; C214-K217 PolarHBondContact O-N 3.13Å; S215-K217 VanDerWaalsContact C-N 3.35Å; S215-K217 PolarHBondContact O-N 3.46Å; K217-T219 PolarHBondContact O-N 3.07Å
218	K	90.6	Very high	91.2	Very high	94 Å²	94	64.4 Å²	64.4	41%	0.409	36%	0.362	S	S	.	.			trans	65.7	-6.9	-178.7	-52.9	179.6	179.9	-164.5	0	115	C214 G216 N260 C264 G269 T270	C214-K218 PolarHBondContact SG-N 3.04Å; C214-K218 VanDerWaalsContact SG-N 3.44Å; G216-K218 PolarHBondContact O-N 2.93Å; K218-N260 PolarHBondContact O-ND2 3.47Å; K218-C264 PolarHBondContact O-N 3.45Å; K218-G269 WeakPolarHBondContact CB-O 3.34Å; K218-G269 WeakPolarHBondContact CD-O 3.27Å; K218-G269 WeakPolarHBondContact CG-O 3.42Å; K218-T270 WeakPolarHBondContact CE-O 3.34Å
219	T	92.8	Very high	91.3	Very high	6 Å²	6	65.9 Å²	65.9	4%	0.037	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-104.5	158.5	177.2	57.6	0	0	0	0	111.6	C214 K217 Y223 M225 T262	C214-T219 WeakPolarHBondContact CB-O 3.28Å; K217-T219 PolarHBondContact O-N 3.07Å; T219-Y223 PolarHBondContact OG1-O 2.8Å; T219-Y223 VanDerWaalsContact OG1-O 3.04Å; T219-M225 HydrophobicContact CG2-CG 3.64Å; T219-M225 HydrophobicContact CG2-SD 3.47Å; T219-M225 WeakPolarHBondContact CG2-SD 3.34Å; T219-T262 WeakPolarHBondContact CA-O 3.37Å
220	E	91.8	Very high	91.4	Very high	26 Å²	26	70.3 Å²	70.3	12%	0.121	39%	0.388	C	S	.	.			trans	-58.5	144	166.2	-84.9	-64.7	128.5	0	0	111.5	K213 G222 Y223 T262 C264 L265	K213-E220 WeakPolarHBondContact CE-OE1 3.17Å; K213-E220 WeakPolarHBondContact CE-OE2 3.45Å; K213-E220 IonicContact NZ-OE1 2.78Å; K213-E220 PolarHBondContact NZ-OE1 3.49Å; K213-E220 IonicContact NZ-OE2 2.72Å; K213-E220 PolarHBondContact NZ-OE2 2.85Å; E220-G222 PolarHBondContact O-N 2.67Å; E220-Y223 HydrophobicContact CB-CD2 3.78Å; E220-Y223 HydrophobicContact CB-CE2 4.41Å; E220-Y223 PolarHBondContact O-N 2.94Å; E220-T262 HydrophobicContact CB-CG2 3.87Å; E220-T262 HydrophobicContact CG-CG2 3.82Å; E220-T262 PolarHBondContact N-O 3.34Å; E220-C264 WeakPolarHBondContact OE1-CA 3.47Å; E220-L265 HydrophobicContact CG-CG 4.43Å; E220-L265 WeakPolarHBondContact OE1-CB 3.34Å; E220-L265 VanDerWaalsContact OE1-CG 3.3Å; E220-L265 WeakPolarHBondContact OE1-CG 2.96Å; E220-L265 PolarHBondContact OE1-N 3.25Å
221	P	91.1	Very high	91.4	Very high	74 Å²	74	68.6 Å²	68.6	48%	0.481	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	130.9	175.2	-26.1	36.1	0	0	0	111.8	K213 Y223	K213-P221 HydrophobicContact CG-CG 3.89Å; K213-P221 WeakPolarHBondContact O-CG 3.04Å; P221-Y223 VanDerWaalsContact C-N 3.35Å
222	G	89.5	Confident	91.3	Very high	83 Å²	83	75.1 Å²	75.1	86%	0.856	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	-19.3	-176.1	0	0	0	0	0	114.6	E220	E220-G222 PolarHBondContact O-N 2.67Å
223	Y	90.5	Very high	91.3	Very high	142 Å²	142	73.3 Å²	73.3	56%	0.557	41%	0.407	S	S	*	.			trans	-95	149.5	174.6	-65.7	-91.8	0	0	0	111.5	T219 E220 P221 T262	T219-Y223 PolarHBondContact OG1-O 2.8Å; T219-Y223 VanDerWaalsContact OG1-O 3.04Å; E220-Y223 HydrophobicContact CB-CD2 3.78Å; E220-Y223 HydrophobicContact CB-CE2 4.41Å; E220-Y223 PolarHBondContact O-N 2.94Å; P221-Y223 VanDerWaalsContact C-N 3.35Å; Y223-T262 HydrophobicContact CD2-CG2 4.22Å; Y223-T262 HydrophobicContact CE2-CG2 4.35Å; Y223-T262 HydrophobicContact CG-CG2 4.37Å
224	K	87.9	Confident	91.3	Very high	183 Å²	183	72.8 Å²	72.8	80%	0.796	41%	0.413	S	S	*	.			trans	-113.2	149.1	179.1	-62.3	-178.5	-177.1	177.8	0	110.4
225	M	89.2	Confident	91.2	Very high	64 Å²	64	72.7 Å²	72.7	32%	0.315	41%	0.413	S	S	.	.			trans	-63.2	135.3	168.1	-73.4	-67.5	-93.5	0	0	109.5	T219 Q258 N260	T219-M225 HydrophobicContact CG2-CG 3.64Å; T219-M225 HydrophobicContact CG2-SD 3.47Å; T219-M225 WeakPolarHBondContact CG2-SD 3.34Å; M225-Q258 HydrophobicContact CE-CB 3.75Å; M225-N260 HydrophobicContact CE-CB 4.23Å; M225-N260 HydrophobicContact SD-CB 3.7Å
226	V	91.3	Very high	91.2	Very high	58 Å²	58	72.6 Å²	72.6	35%	0.352	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.8	-179.9	-155.1	0	0	0	0	108.2	Q258 Y259 K261	V226-Q258 CarbonylContact O-C 3.35Å; V226-Q258 WeakPolarHBondContact O-CA 3.37Å; V226-Y259 PolarHBondContact N-O 3Å; V226-Y259 PolarHBondContact O-N 3.22Å; V226-K261 HydrophobicContact CG2-CD 4.34Å
227	S	93.1	Very high	91.2	Very high	77 Å²	77	72.7 Å²	72.7	54%	0.538	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	143.7	170.4	54.6	0	0	0	0	110.2	P229	S227-P229 WeakPolarHBondContact O-CD 3.43Å
228	C	92.6	Very high	91.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.391	C	S	.	.			trans	-67.4	120.6	-179.5	-179.5	0	0	0	0	109.7	Y230 C231 N232 G233 C253 G257	C228-Y230 PolarHBondContact O-N 3.27Å; C228-C231 VanDerWaalsContact CB-SG 3.52Å; C228-N232 WeakPolarHBondContact O-CA 3Å; C228-N232 PolarHBondContact O-N 3.21Å; C228-G233 PolarHBondContact O-N 3.29Å; C228-C253 HydrophobicContact CB-CB 3.82Å; C228-G257 WeakPolarHBondContact CB-O 3.18Å; C228-G257 PolarHBondContact N-O 3.32Å
229	P	91.2	Very high	91	Very high	77 Å²	77	70 Å²	70	50%	0.5	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.1	-175.8	27.9	-34.5	0	0	0	113.3	S227	S227-P229 WeakPolarHBondContact O-CD 3.43Å
230	Y	90.5	Very high	90.7	Very high	122 Å²	122	73.4 Å²	73.4	48%	0.478	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-40.1	-177.5	-64.7	-91.9	0	0	0	112.6	C228 E237 R252	C228-Y230 PolarHBondContact O-N 3.27Å; Y230-E237 WeakPolarHBondContact CB-OE1 3.49Å; Y230-R252 HydrophobicContact CD1-CG 4.03Å; Y230-R252 HydrophobicContact CD2-CB 3.73Å; Y230-R252 HydrophobicContact CD2-CG 3.5Å; Y230-R252 VanDerWaalsContact CD2-CG 3.5Å; Y230-R252 HydrophobicContact CE1-CG 4.23Å; Y230-R252 HydrophobicContact CE2-CB 4.2Å; Y230-R252 HydrophobicContact CE2-CG 3.72Å; Y230-R252 HydrophobicContact CG-CB 4.15Å; Y230-R252 HydrophobicContact CG-CG 3.66Å
231	C	93.1	Very high	90.4	Very high	8 Å²	8	78.3 Å²	78.3	5%	0.054	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.3	176.5	70.4	0	0	0	0	113	C228 G233 S234 G235 M236 E237 C250 C253	C228-C231 VanDerWaalsContact CB-SG 3.52Å; C231-G233 PolarHBondContact O-N 3.16Å; C231-G233 VanDerWaalsContact O-N 3.16Å; C231-S234 WeakPolarHBondContact CB-OG 3.3Å; C231-S234 VanDerWaalsContact O-CB 3.29Å; C231-S234 WeakPolarHBondContact O-CB 3.49Å; C231-S234 PolarHBondContact O-N 2.79Å; C231-S234 PolarHBondContact O-OG 3.29Å; C231-G235 PolarHBondContact SG-N 3.44Å; C231-M236 WeakPolarHBondContact CB-O 3.23Å; C231-E237 HydrophobicContact CB-CG 4.34Å; C231-C250 HydrophobicContact CB-CB 3.75Å; C231-C253 VanDerWaalsContact SG-SG 3.64Å
232	N	90.8	Very high	90.2	Very high	138 Å²	138	78 Å²	78	74%	0.738	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	37	-173.4	-65.7	-48.1	0	0	0	113.4	C228 S234	C228-N232 WeakPolarHBondContact O-CA 3Å; C228-N232 PolarHBondContact O-N 3.21Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 2.98Å
233	G	91.2	Very high	90.3	Very high	35 Å²	35	79.8 Å²	79.8	36%	0.361	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-6.3	-177.9	0	0	0	0	0	116.2	C228 C231 G235 G257	C228-G233 PolarHBondContact O-N 3.29Å; C231-G233 PolarHBondContact O-N 3.16Å; C231-G233 VanDerWaalsContact O-N 3.16Å; G233-G235 PolarHBondContact O-N 3.37Å; G233-G257 WeakPolarHBondContact CA-O 3.29Å
234	S	93.4	Very high	90.1	Very high	69 Å²	69	80.5 Å²	80.5	48%	0.483	45%	0.453	S	S	.	.	S	Bend	trans	-72.1	-14.4	-178.3	66.5	0	0	0	0	114.6	C231 N232 M236	C231-S234 WeakPolarHBondContact CB-OG 3.3Å; C231-S234 VanDerWaalsContact O-CB 3.29Å; C231-S234 WeakPolarHBondContact O-CB 3.49Å; C231-S234 PolarHBondContact O-N 2.79Å; C231-S234 PolarHBondContact O-OG 3.29Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 2.98Å; S234-M236 PolarHBondContact O-N 3.33Å; S234-M236 PolarHBondContact OG-N 3.04Å; S234-M236 PolarHBondContact OG-O 2.99Å
235	G	91.3	Very high	90.1	Very high	4 Å²	4	78.2 Å²	78.2	4%	0.041	45%	0.448	C	S	.	.	S	Bend	trans	69.2	-4.1	-172.6	0	0	0	0	0	114	C231 G233 C250 G255	C231-G235 PolarHBondContact SG-N 3.44Å; G233-G235 PolarHBondContact O-N 3.37Å; G235-C250 VanDerWaalsContact O-CB 3.29Å; G235-C250 WeakPolarHBondContact O-CB 3.29Å; G235-C250 PolarHBondContact O-N 2.99Å; G235-G255 WeakPolarHBondContact O-CA 3.18Å
236	M	93.4	Very high	90.1	Very high	83 Å²	83	78.8 Å²	78.8	41%	0.409	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.9	-175	-66.3	-173.7	-74.4	0	0	111.1	C231 S234 R247 Q248	C231-M236 WeakPolarHBondContact CB-O 3.23Å; S234-M236 PolarHBondContact O-N 3.33Å; S234-M236 PolarHBondContact OG-N 3.04Å; S234-M236 PolarHBondContact OG-O 2.99Å; M236-R247 HydrophobicContact CB-CG 3.83Å; M236-R247 HydrophobicContact CG-CG 4.37Å; M236-R247 WeakPolarHBondContact SD-CD 3.5Å; M236-R247 HydrophobicContact SD-CG 4.06Å; M236-Q248 CarbonylContact C-O 3.59Å; M236-Q248 VanDerWaalsContact CA-O 3.3Å; M236-Q248 WeakPolarHBondContact CA-O 3.45Å
237	E	89.7	Confident	90	Very high	34 Å²	34	83.9 Å²	83.9	16%	0.159	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.9	173.1	-76.6	169	-175.2	0	0	108.5	Y230 C231 Q248 C250 R251	Y230-E237 WeakPolarHBondContact CB-OE1 3.49Å; C231-E237 HydrophobicContact CB-CG 4.34Å; E237-Q248 HydrophobicContact CB-CG 4.09Å; E237-Q248 PolarHBondContact N-O 2.93Å; E237-Q248 WeakPolarHBondContact O-CG 3.47Å; E237-Q248 PolarHBondContact O-N 2.78Å; E237-C250 HydrophobicContact CG-CB 3.92Å; E237-C250 PolarHBondContact OE1-SG 3.03Å; E237-R251 PolarHBondContact OE2-N 2.84Å
238	T	90.1	Very high	90	Very high	85 Å²	85	80.8 Å²	80.8	52%	0.521	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.4	172	-58.2	0	0	0	0	107.9	I245 M246	T238-I245 HydrophobicContact CG2-CG2 3.26Å; T238-M246 WeakPolarHBondContact CA-O 3.28Å
239	F	86	Confident	90	Very high	101 Å²	101	84.7 Å²	84.7	44%	0.443	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.1	176.8	-178	-91.4	0	0	0	109.2	Q241 M246	F239-Q241 HydrophobicContact CD1-CB 4.4Å; F239-Q241 HydrophobicContact CE1-CB 3.9Å; F239-Q241 HydrophobicContact CE1-CG 4.47Å; F239-M246 HydrophobicContact CB-CG 4.4Å; F239-M246 HydrophobicContact CD1-CE 3.5Å; F239-M246 VanDerWaalsContact CD1-CE 3.5Å; F239-M246 HydrophobicContact CD1-CG 4.44Å; F239-M246 HydrophobicContact CE1-CE 3.96Å; F239-M246 PolarHBondContact N-O 2.62Å; F239-M246 WeakPolarHBondContact O-CG 3.45Å; F239-M246 PolarHBondContact O-N 2.69Å; F239-M246 VanDerWaalsContact O-O 3.12Å
240	S	88.1	Confident	90.1	Very high	78 Å²	78	81 Å²	81	55%	0.545	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.6	173.5	46.7	0	0	0	0	110	F244	S240-F244 CarbonylContact C-O 3.48Å; S240-F244 VanDerWaalsContact CA-O 3.3Å; S240-F244 WeakPolarHBondContact CA-O 3.3Å
241	Q	84.8	Confident	90.1	Very high	130 Å²	130	82.9 Å²	82.9	61%	0.607	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	96.6	168.2	-165.2	170.4	2.9	0	0	108.2	F239 F244 M246	F239-Q241 HydrophobicContact CD1-CB 4.4Å; F239-Q241 HydrophobicContact CE1-CB 3.9Å; F239-Q241 HydrophobicContact CE1-CG 4.47Å; Q241-F244 PolarHBondContact N-O 2.68Å; Q241-F244 PolarHBondContact O-N 2.93Å; Q241-M246 HydrophobicContact CB-CE 4.19Å
242	G	87.2	Confident	90	Very high	67 Å²	67	89.1 Å²	89.1	69%	0.691	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-132.4	-173.2	0	0	0	0	0	111.4	F244	G242-F244 PolarHBondContact O-N 2.96Å
243	P	91.3	Very high	89.9	Confident	121 Å²	121	82.9 Å²	82.9	79%	0.786	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.2	-179.4	31.4	-34.6	0	0	0	113.5
244	F	86.5	Confident	89.8	Confident	157 Å²	157	89.3 Å²	89.3	69%	0.689	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.1	-178.5	-57.7	-73.7	0	0	0	111.1	S240 Q241 G242	S240-F244 CarbonylContact C-O 3.48Å; S240-F244 VanDerWaalsContact CA-O 3.3Å; S240-F244 WeakPolarHBondContact CA-O 3.3Å; Q241-F244 PolarHBondContact N-O 2.68Å; Q241-F244 PolarHBondContact O-N 2.93Å; G242-F244 PolarHBondContact O-N 2.96Å
245	I	88.2	Confident	89.7	Confident	135 Å²	135	87.9 Å²	87.9	69%	0.692	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.5	172.1	-59.3	177.6	0	0	0	107.9	T238	T238-I245 HydrophobicContact CG2-CG2 3.26Å
246	M	88.5	Confident	89.6	Confident	76 Å²	76	92.2 Å²	92.2	37%	0.374	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.9	177.7	54.3	172	150.8	0	0	111.4	T238 F239 Q241	T238-M246 WeakPolarHBondContact CA-O 3.28Å; F239-M246 HydrophobicContact CB-CG 4.4Å; F239-M246 HydrophobicContact CD1-CE 3.5Å; F239-M246 VanDerWaalsContact CD1-CE 3.5Å; F239-M246 HydrophobicContact CD1-CG 4.44Å; F239-M246 HydrophobicContact CE1-CE 3.96Å; F239-M246 PolarHBondContact N-O 2.62Å; F239-M246 WeakPolarHBondContact O-CG 3.45Å; F239-M246 PolarHBondContact O-N 2.69Å; F239-M246 VanDerWaalsContact O-O 3.12Å; Q241-M246 HydrophobicContact CB-CE 4.19Å
247	R	90.1	Very high	89.4	Confident	165 Å²	165	88.6 Å²	88.6	62%	0.623	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	174.1	-168.2	178.3	-71.4	177.8	-5.8	109.4	M236	M236-R247 HydrophobicContact CB-CG 3.83Å; M236-R247 HydrophobicContact CG-CG 4.37Å; M236-R247 WeakPolarHBondContact SD-CD 3.5Å; M236-R247 HydrophobicContact SD-CG 4.06Å
248	Q	91.5	Very high	89.5	Confident	12 Å²	12	91.7 Å²	91.7	6%	0.056	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.3	178.2	66.6	-170.7	-50.7	0	0	111.1	K129 M236 E237 C250	K129-Q248 HydrophobicContact CD-CB 3.77Å; K129-Q248 VanDerWaalsContact NZ-CD 3.28Å; M236-Q248 CarbonylContact C-O 3.59Å; M236-Q248 VanDerWaalsContact CA-O 3.3Å; M236-Q248 WeakPolarHBondContact CA-O 3.45Å; E237-Q248 HydrophobicContact CB-CG 4.09Å; E237-Q248 PolarHBondContact N-O 2.93Å; E237-Q248 WeakPolarHBondContact O-CG 3.47Å; E237-Q248 PolarHBondContact O-N 2.78Å; Q248-C250 PolarHBondContact O-N 3.22Å
249	T	93.9	Very high	89.4	Confident	82 Å²	82	91.7 Å²	91.7	50%	0.503	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.4	166	46.4	0	0	0	0	108.8	R251	T249-R251 PolarHBondContact O-N 3.36Å
250	C	92.7	Very high	89.4	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	45%	0.454	C	S	.	.			trans	-58.5	124.7	-178.2	166.6	0	0	0	0	109.7	C231 G235 E237 Q248 R252 C253 F254	C231-C250 HydrophobicContact CB-CB 3.75Å; G235-C250 VanDerWaalsContact O-CB 3.29Å; G235-C250 WeakPolarHBondContact O-CB 3.29Å; G235-C250 PolarHBondContact O-N 2.99Å; E237-C250 HydrophobicContact CG-CB 3.92Å; E237-C250 PolarHBondContact OE1-SG 3.03Å; Q248-C250 PolarHBondContact O-N 3.22Å; C250-R252 PolarHBondContact O-N 3.48Å; C250-R252 VanDerWaalsContact O-N 3.1Å; C250-R252 PolarHBondContact SG-N 2.92Å; C250-C253 WeakPolarHBondContact CB-SG 3.22Å; C250-C253 PolarHBondContact SG-N 3.37Å; C250-C253 VanDerWaalsContact SG-N 3.45Å; C250-C253 PolarHBondContact SG-SG 3.25Å; C250-F254 VanDerWaalsContact O-CA 3.28Å; C250-F254 WeakPolarHBondContact O-CA 3.45Å; C250-F254 PolarHBondContact O-N 3.3Å
251	R	90.7	Very high	89.4	Confident	161 Å²	161	91.9 Å²	91.9	61%	0.608	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.9	-175.5	-62.1	-177.6	177.8	-165	-0.6	113.4	E237 T249	E237-R251 PolarHBondContact OE2-N 2.84Å; T249-R251 PolarHBondContact O-N 3.36Å
252	R	90	Very high	89.7	Confident	138 Å²	138	87.9 Å²	87.9	52%	0.521	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-43.7	-174.7	-64.4	-69.9	-161.6	-172.1	2.2	113.5	Y230 C250	Y230-R252 HydrophobicContact CD1-CG 4.03Å; Y230-R252 HydrophobicContact CD2-CB 3.73Å; Y230-R252 HydrophobicContact CD2-CG 3.5Å; Y230-R252 VanDerWaalsContact CD2-CG 3.5Å; Y230-R252 HydrophobicContact CE1-CG 4.23Å; Y230-R252 HydrophobicContact CE2-CB 4.2Å; Y230-R252 HydrophobicContact CE2-CG 3.72Å; Y230-R252 HydrophobicContact CG-CB 4.15Å; Y230-R252 HydrophobicContact CG-CG 3.66Å; C250-R252 PolarHBondContact O-N 3.48Å; C250-R252 VanDerWaalsContact O-N 3.1Å; C250-R252 PolarHBondContact SG-N 2.92Å
253	C	90.4	Very high	89.9	Confident	7 Å²	7	87.5 Å²	87.5	5%	0.047	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-4	177.9	70.4	0	0	0	0	113.4	C228 C231 C250 G255 T256 G257 Q258	C228-C253 HydrophobicContact CB-CB 3.82Å; C231-C253 VanDerWaalsContact SG-SG 3.64Å; C250-C253 WeakPolarHBondContact CB-SG 3.22Å; C250-C253 PolarHBondContact SG-N 3.37Å; C250-C253 VanDerWaalsContact SG-N 3.45Å; C250-C253 PolarHBondContact SG-SG 3.25Å; C253-G255 PolarHBondContact O-N 3.42Å; C253-T256 WeakPolarHBondContact CB-OG1 3.39Å; C253-T256 WeakPolarHBondContact O-CB 3.39Å; C253-T256 WeakPolarHBondContact O-CG2 3.34Å; C253-T256 PolarHBondContact O-N 3.09Å; C253-T256 PolarHBondContact O-OG1 3.21Å; C253-G257 PolarHBondContact SG-N 3.3Å; C253-Q258 WeakPolarHBondContact CB-O 3.45Å
254	F	89	Confident	90	Very high	171 Å²	171	81.7 Å²	81.7	75%	0.75	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	38.7	-177.1	-55.2	-78.6	0	0	0	112.7	C250	C250-F254 VanDerWaalsContact O-CA 3.28Å; C250-F254 WeakPolarHBondContact O-CA 3.45Å; C250-F254 PolarHBondContact O-N 3.3Å
255	G	89.6	Confident	90.3	Very high	38 Å²	38	80.6 Å²	80.6	39%	0.392	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-11.7	179.6	0	0	0	0	0	115.7	G235 C253 G257	G235-G255 WeakPolarHBondContact O-CA 3.18Å; C253-G255 PolarHBondContact O-N 3.42Å; G255-G257 PolarHBondContact O-N 3.47Å
256	T	89.3	Confident	90.5	Very high	96 Å²	96	78.6 Å²	78.6	59%	0.589	38%	0.379	S	S	*	.	S	Bend	trans	-69.1	-17.4	-177.2	61	0	0	0	0	114.2	C253 Q258	C253-T256 WeakPolarHBondContact CB-OG1 3.39Å; C253-T256 WeakPolarHBondContact O-CB 3.39Å; C253-T256 WeakPolarHBondContact O-CG2 3.34Å; C253-T256 PolarHBondContact O-N 3.09Å; C253-T256 PolarHBondContact O-OG1 3.21Å; T256-Q258 PolarHBondContact O-N 2.83Å; T256-Q258 PolarHBondContact OG1-N 2.78Å; T256-Q258 PolarHBondContact OG1-O 3.01Å; T256-Q258 VanDerWaalsContact OG1-O 3.13Å
257	G	90	Very high	90.8	Very high	7 Å²	7	75.3 Å²	75.3	7%	0.072	36%	0.363	C	S	.	.	S	Bend	trans	69.5	-5.2	-174.4	0	0	0	0	0	114	C228 G233 C253 G255	C228-G257 WeakPolarHBondContact CB-O 3.18Å; C228-G257 PolarHBondContact N-O 3.32Å; G233-G257 WeakPolarHBondContact CA-O 3.29Å; C253-G257 PolarHBondContact SG-N 3.3Å; G255-G257 PolarHBondContact O-N 3.47Å
258	Q	90.9	Very high	90.8	Very high	98 Å²	98	74.4 Å²	74.4	46%	0.458	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.8	-179.6	-60.6	-175	2.7	0	0	110.1	M225 V226 C253 T256	M225-Q258 HydrophobicContact CE-CB 3.75Å; V226-Q258 CarbonylContact O-C 3.35Å; V226-Q258 WeakPolarHBondContact O-CA 3.37Å; C253-Q258 WeakPolarHBondContact CB-O 3.45Å; T256-Q258 PolarHBondContact O-N 2.83Å; T256-Q258 PolarHBondContact OG1-N 2.78Å; T256-Q258 PolarHBondContact OG1-O 3.01Å; T256-Q258 VanDerWaalsContact OG1-O 3.13Å
259	Y	88.5	Confident	90.6	Very high	86 Å²	86	74.8 Å²	74.8	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	177.2	-178.5	-97.5	0	0	0	109.8	V226 K261	V226-Y259 PolarHBondContact N-O 3Å; V226-Y259 PolarHBondContact O-N 3.22Å; Y259-K261 HydrophobicContact CD1-CG 3.77Å; Y259-K261 HydrophobicContact CE1-CB 4.44Å; Y259-K261 HydrophobicContact CE1-CG 3.73Å; Y259-K261 PolarHBondContact O-N 2.94Å
260	N	87.1	Confident	90.4	Very high	35 Å²	35	72.8 Å²	72.8	19%	0.187	36%	0.361	C	S	.	.			trans	-92.8	100.3	179.5	-168.6	-7.4	0	0	0	109.8	K218 M225 T262 P263	K218-N260 PolarHBondContact O-ND2 3.47Å; M225-N260 HydrophobicContact CE-CB 4.23Å; M225-N260 HydrophobicContact SD-CB 3.7Å; N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact OD1-N 2.99Å; N260-T262 PolarHBondContact OD1-O 2.88Å; N260-T262 VanDerWaalsContact OD1-O 3.09Å; N260-P263 VanDerWaalsContact ND2-CA 3.34Å; N260-P263 WeakPolarHBondContact ND2-CA 3.4Å
261	K	87.8	Confident	90.2	Very high	148 Å²	148	72.9 Å²	72.9	64%	0.643	36%	0.362	S	S	*	.	S	Bend	trans	-68.4	-29.7	176.4	-69.2	-177	178.2	-176.7	0	112.5	V226 Y259	V226-K261 HydrophobicContact CG2-CD 4.34Å; Y259-K261 HydrophobicContact CD1-CG 3.77Å; Y259-K261 HydrophobicContact CE1-CB 4.44Å; Y259-K261 HydrophobicContact CE1-CG 3.73Å; Y259-K261 PolarHBondContact O-N 2.94Å
262	T	90.7	Very high	90.3	Very high	45 Å²	45	69 Å²	69	28%	0.276	35%	0.353	S	S	.	.	S	Bend	trans	-138	78.9	-171.5	-45.4	0	0	0	0	108.9	T219 E220 Y223 N260	T219-T262 WeakPolarHBondContact CA-O 3.37Å; E220-T262 HydrophobicContact CB-CG2 3.87Å; E220-T262 HydrophobicContact CG-CG2 3.82Å; E220-T262 PolarHBondContact N-O 3.34Å; Y223-T262 HydrophobicContact CD2-CG2 4.22Å; Y223-T262 HydrophobicContact CE2-CG2 4.35Å; Y223-T262 HydrophobicContact CG-CG2 4.37Å; N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact OD1-N 2.99Å; N260-T262 PolarHBondContact OD1-O 2.88Å; N260-T262 VanDerWaalsContact OD1-O 3.09Å
263	P	91.9	Very high	90.4	Very high	59 Å²	59	63.2 Å²	63.2	38%	0.383	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-61.6	146.9	178.6	27.2	-34.2	0	0	0	111	N260 L265	N260-P263 VanDerWaalsContact ND2-CA 3.34Å; N260-P263 WeakPolarHBondContact ND2-CA 3.4Å; P263-L265 PolarHBondContact O-N 2.71Å
264	C	93.8	Very high	90.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.361	C	S	.	.			trans	-60	127.5	174.9	177.1	0	0	0	0	109.7	C214 K218 E220 E266 C267 E268 G269	C214-C264 HydrophobicContact CB-CB 3.83Å; K218-C264 PolarHBondContact O-N 3.45Å; E220-C264 WeakPolarHBondContact OE1-CA 3.47Å; C264-E266 VanDerWaalsContact C-N 3.25Å; C264-E266 PolarHBondContact O-N 3.14Å; C264-C267 VanDerWaalsContact CB-SG 3.56Å; C264-E268 WeakPolarHBondContact O-CA 3.46Å; C264-E268 PolarHBondContact O-N 3.04Å; C264-G269 PolarHBondContact O-N 3Å
265	L	92.6	Very high	90.3	Very high	134 Å²	134	62 Å²	62	70%	0.702	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.2	-177.3	-64.3	172.1	0	0	0	113.3	E220 P263	E220-L265 HydrophobicContact CG-CG 4.43Å; E220-L265 WeakPolarHBondContact OE1-CB 3.34Å; E220-L265 VanDerWaalsContact OE1-CG 3.3Å; E220-L265 WeakPolarHBondContact OE1-CG 2.96Å; E220-L265 PolarHBondContact OE1-N 3.25Å; P263-L265 PolarHBondContact O-N 2.71Å
266	E	92.5	Very high	90.3	Very high	93 Å²	93	69.1 Å²	69.1	44%	0.435	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-34.5	-178.3	-161.9	-171.5	160.8	0	0	112.7	P212 K213 C264 T273	P212-E266 WeakPolarHBondContact CD-OE1 3.39Å; P212-E266 WeakPolarHBondContact CG-OE1 3.31Å; K213-E266 HydrophobicContact CB-CB 4.29Å; K213-E266 WeakPolarHBondContact CB-OE2 3.15Å; K213-E266 HydrophobicContact CD-CB 4.18Å; K213-E266 PolarHBondContact N-OE2 3.21Å; C264-E266 VanDerWaalsContact C-N 3.25Å; C264-E266 PolarHBondContact O-N 3.14Å; E266-T273 HydrophobicContact CG-CG2 4.1Å
267	C	93	Very high	90.2	Very high	7 Å²	7	67.1 Å²	67.1	5%	0.047	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	3	-179.9	71.4	0	0	0	0	113.8	C211 C264 G269 T270 G271 N272 T273	C211-C267 HydrophobicContact CB-CB 3.74Å; C264-C267 VanDerWaalsContact CB-SG 3.56Å; C267-G269 PolarHBondContact O-N 3.12Å; C267-G269 VanDerWaalsContact O-N 3.07Å; C267-T270 WeakPolarHBondContact CB-OG1 3.44Å; C267-T270 VanDerWaalsContact O-CB 3.3Å; C267-T270 WeakPolarHBondContact O-CB 3.49Å; C267-T270 WeakPolarHBondContact O-CG2 3.39Å; C267-T270 PolarHBondContact O-N 3.44Å; C267-T270 PolarHBondContact O-OG1 3.13Å; C267-G271 PolarHBondContact SG-N 3.16Å; C267-N272 WeakPolarHBondContact CB-O 3Å; C267-T273 HydrophobicContact CB-CG2 3.65Å
268	E	90.1	Very high	90.2	Very high	146 Å²	146	71.2 Å²	71.2	68%	0.682	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33	-178	-57.8	-177.1	168.4	0	0	113.4	C264	C264-E268 WeakPolarHBondContact O-CA 3.46Å; C264-E268 PolarHBondContact O-N 3.04Å
269	G	88.2	Confident	90.2	Very high	20 Å²	20	67.7 Å²	67.7	21%	0.206	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	6.9	-179.2	0	0	0	0	0	115.6	K218 C264 C267	K218-G269 WeakPolarHBondContact CB-O 3.34Å; K218-G269 WeakPolarHBondContact CD-O 3.27Å; K218-G269 WeakPolarHBondContact CG-O 3.42Å; C264-G269 PolarHBondContact O-N 3Å; C267-G269 PolarHBondContact O-N 3.12Å; C267-G269 VanDerWaalsContact O-N 3.07Å
270	T	88.6	Confident	90.3	Very high	39 Å²	39	66.2 Å²	66.2	24%	0.239	35%	0.349	C	S	.	.	S	Bend	trans	-77.2	-34.1	178.1	62.9	0	0	0	0	112.5	F175 K218 C267 N272	F175-T270 HydrophobicContact CE1-CG2 3.57Å; F175-T270 HydrophobicContact CE2-CG2 4.27Å; F175-T270 HydrophobicContact CZ-CG2 3.25Å; K218-T270 WeakPolarHBondContact CE-O 3.34Å; C267-T270 WeakPolarHBondContact CB-OG1 3.44Å; C267-T270 VanDerWaalsContact O-CB 3.3Å; C267-T270 WeakPolarHBondContact O-CB 3.49Å; C267-T270 WeakPolarHBondContact O-CG2 3.39Å; C267-T270 PolarHBondContact O-N 3.44Å; C267-T270 PolarHBondContact O-OG1 3.13Å; T270-N272 PolarHBondContact OG1-N 3.48Å; T270-N272 PolarHBondContact OG1-O 2.84Å; T270-N272 VanDerWaalsContact OG1-O 3.05Å
271	G	90	Very high	90.4	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.021	34%	0.34	C	S	.	.	S	Bend	trans	94.5	-9.8	-176.8	0	0	0	0	0	114.3	C211 C267	C211-G271 WeakPolarHBondContact CB-O 3.27Å; C211-G271 PolarHBondContact N-O 2.69Å; C267-G271 PolarHBondContact SG-N 3.16Å
272	N	92	Very high	90.5	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.4	-179.2	-61	-34	0	0	0	110.7	V208 D209 C267 T270	V208-N272 HydrophobicContact CG1-CB 3.61Å; D209-N272 CarbonylContact O-C 3.56Å; D209-N272 WeakPolarHBondContact O-CA 3.21Å; D209-N272 WeakPolarHBondContact O-CB 3.2Å; C267-N272 WeakPolarHBondContact CB-O 3Å; T270-N272 PolarHBondContact OG1-N 3.48Å; T270-N272 PolarHBondContact OG1-O 2.84Å; T270-N272 VanDerWaalsContact OG1-O 3.05Å
273	T	91.7	Very high	90.5	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.2	172.4	57.5	0	0	0	0	110.1	D209 C211 P212 E266 C267 Q275	D209-T273 PolarHBondContact N-O 3.23Å; D209-T273 PolarHBondContact O-N 3.24Å; C211-T273 HydrophobicContact CB-CG2 3.85Å; P212-T273 VanDerWaalsContact CD-OG1 3.31Å; P212-T273 WeakPolarHBondContact CD-OG1 2.95Å; E266-T273 HydrophobicContact CG-CG2 4.1Å; C267-T273 HydrophobicContact CB-CG2 3.65Å; T273-Q275 PolarHBondContact O-N 2.86Å
274	V	90.3	Very high	90.4	Very high	102 Å²	102	60 Å²	60	62%	0.618	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	112.7	173.4	-179.7	0	0	0	0	107.8	N206 V208	N206-V274 HydrophobicContact CB-CG1 3.77Å; V208-V274 HydrophobicContact CG2-CG2 4.1Å
275	Q	87.3	Confident	90.4	Very high	51 Å²	51	63.3 Å²	63.3	24%	0.238	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.7	178.4	-64.7	-177.2	-3.9	0	0	109.9	V207 T210 T273 K277	V207-Q275 PolarHBondContact N-O 2.81Å; V207-Q275 PolarHBondContact O-N 3.28Å; T210-Q275 PolarHBondContact O-NE2 3.22Å; T273-Q275 PolarHBondContact O-N 2.86Å; Q275-K277 PolarHBondContact O-N 3.48Å
276	R	89	Confident	90.3	Very high	187 Å²	187	59.5 Å²	59.5	71%	0.706	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	116.6	170.6	-178.5	177	-76.8	178.7	-5.6	108.8
277	K	88.2	Confident	90.2	Very high	53 Å²	53	56 Å²	56	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.4	176	-68	-173.1	178.6	-176.3	0	110.1	S204 V205 D209 Q275 V279 V297	S204-K277 WeakPolarHBondContact CA-O 3.3Å; V205-K277 PolarHBondContact N-O 3.04Å; V205-K277 PolarHBondContact O-N 2.9Å; D209-K277 WeakPolarHBondContact OD2-CE 3.14Å; D209-K277 IonicContact OD2-NZ 3.33Å; D209-K277 PolarHBondContact OD2-NZ 3.45Å; Q275-K277 PolarHBondContact O-N 3.48Å; K277-V279 HydrophobicContact CB-CG2 4.5Å; K277-V297 HydrophobicContact CB-CG1 4.24Å; K277-V297 HydrophobicContact CD-CG1 4.03Å
278	T	90.7	Very high	90	Very high	94 Å²	94	62.8 Å²	62.8	58%	0.577	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	171.7	-58.2	0	0	0	0	108.8	N202 I203 S204	N202-T278 HydrophobicContact CB-CG2 3.94Å; I203-T278 CarbonylContact O-C 3.56Å; I203-T278 VanDerWaalsContact O-CA 3.29Å; I203-T278 WeakPolarHBondContact O-CA 3.19Å; S204-T278 PolarHBondContact OG-OG1 2.88Å
279	V	89.3	Confident	89.9	Confident	24 Å²	24	63.2 Å²	63.2	15%	0.145	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	-175.4	-177.1	0	0	0	0	108.7	N202 I203 K277 V281 I295 V297	N202-V279 WeakPolarHBondContact CA-O 3.49Å; I203-V279 HydrophobicContact CG1-CB 4.5Å; I203-V279 PolarHBondContact N-O 2.81Å; I203-V279 PolarHBondContact O-N 3.24Å; K277-V279 HydrophobicContact CB-CG2 4.5Å; V279-V281 HydrophobicContact CG1-CG2 4.42Å; V279-V281 PolarHBondContact O-N 3.45Å; V279-I295 HydrophobicContact CG1-CG2 4.23Å; V279-V297 HydrophobicContact CB-CG2 4.38Å; V279-V297 HydrophobicContact CG1-CG2 4.09Å; V279-V297 HydrophobicContact CG2-CB 4.19Å; V279-V297 HydrophobicContact CG2-CG1 3.43Å; V279-V297 VanDerWaalsContact CG2-CG1 3.43Å; V279-V297 HydrophobicContact CG2-CG2 3.66Å
280	A	90.7	Very high	89.9	Confident	55 Å²	55	64.7 Å²	64.7	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.1	172	0	0	0	0	0	108.9	T200 N202 P282	T200-A280 HydrophobicContact CG2-CB 4Å; N202-A280 WeakPolarHBondContact OD1-CA 3.49Å; N202-A280 WeakPolarHBondContact OD1-CB 3.47Å; A280-P282 WeakPolarHBondContact O-CD 3.19Å
281	V	90.2	Very high	89.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.2	-178.8	175.3	0	0	0	0	108.5	M188 T200 R201 I203 V279 V283 L293 I295	M188-V281 HydrophobicContact CE-CB 4.01Å; M188-V281 HydrophobicContact CE-CG1 4.12Å; M188-V281 HydrophobicContact CE-CG2 4.41Å; T200-V281 WeakPolarHBondContact CA-O 3.43Å; R201-V281 PolarHBondContact N-O 3.09Å; R201-V281 PolarHBondContact O-N 3.5Å; I203-V281 HydrophobicContact CD1-CG2 3.54Å; I203-V281 HydrophobicContact CG1-CG2 3.64Å; V279-V281 HydrophobicContact CG1-CG2 4.42Å; V279-V281 PolarHBondContact O-N 3.45Å; V281-V283 HydrophobicContact CG1-CG2 4.36Å; V281-V283 PolarHBondContact O-N 3.19Å; V281-L293 HydrophobicContact CG1-CD2 3.89Å; V281-I295 HydrophobicContact CB-CD1 3.8Å; V281-I295 HydrophobicContact CG1-CD1 3.29Å; V281-I295 HydrophobicContact CG2-CD1 3.31Å
282	P	89.5	Confident	89.7	Confident	84 Å²	84	70.4 Å²	70.4	55%	0.545	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	111.2	172.5	30.3	-31.1	0	0	0	109.2	A280	A280-P282 WeakPolarHBondContact O-CD 3.19Å
283	V	90.4	Very high	89.5	Confident	8 Å²	8	69 Å²	69	5%	0.048	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.4	174.6	-172.6	0	0	0	0	108.5	M188 L190 G198 V199 V281 I287 F306	M188-V283 HydrophobicContact SD-CG2 3.94Å; L190-V283 HydrophobicContact CD1-CB 4.36Å; L190-V283 HydrophobicContact CD1-CG1 3.64Å; L190-V283 HydrophobicContact CD1-CG2 4.15Å; G198-V283 CarbonylContact C-O 3.49Å; G198-V283 WeakPolarHBondContact CA-O 3.3Å; V199-V283 HydrophobicContact CG1-CB 4.29Å; V199-V283 HydrophobicContact CG1-CG2 4.33Å; V199-V283 PolarHBondContact N-O 3.3Å; V199-V283 VanDerWaalsContact N-O 3.14Å; V199-V283 WeakPolarHBondContact O-CA 3.35Å; V199-V283 VanDerWaalsContact O-CB 3.26Å; V199-V283 WeakPolarHBondContact O-CB 3.45Å; V199-V283 WeakPolarHBondContact O-CG2 3.47Å; V199-V283 PolarHBondContact O-N 3.05Å; V281-V283 HydrophobicContact CG1-CG2 4.36Å; V281-V283 PolarHBondContact O-N 3.19Å; V283-I287 HydrophobicContact CG1-CB 4.25Å; V283-I287 HydrophobicContact CG1-CD1 4.26Å; V283-I287 HydrophobicContact CG1-CG2 3.92Å; V283-F306 HydrophobicContact CB-CE1 4.3Å; V283-F306 HydrophobicContact CG1-CD1 4.33Å; V283-F306 HydrophobicContact CG1-CE1 3.81Å; V283-F306 HydrophobicContact CG1-CZ 3.99Å; V283-F306 HydrophobicContact CG2-CD1 4.5Å; V283-F306 HydrophobicContact CG2-CE1 3.54Å; V283-F306 HydrophobicContact CG2-CZ 4.01Å
284	P	91.2	Very high	89.4	Confident	65 Å²	65	75.4 Å²	75.4	42%	0.422	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.4	177.2	29.9	-34.9	0	0	0	111.4	I287	P284-I287 HydrophobicContact CG-CD1 3.9Å
285	A	92.3	Very high	89.3	Confident	68 Å²	68	71.7 Å²	71.7	56%	0.562	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	140.3	174.1	0	0	0	0	0	111.1	K197	K197-A285 WeakPolarHBondContact O-CB 3.4Å
286	G	91.4	Very high	89.3	Confident	55 Å²	55	76.2 Å²	76.2	57%	0.567	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	31.9	178.7	0	0	0	0	0	114.1	A195	A195-G286 PolarHBondContact O-N 2.76Å
287	I	90.2	Very high	89.1	Confident	18 Å²	18	67.8 Å²	67.8	9%	0.092	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-71.9	139.7	174.8	-159.8	111.2	0	0	0	110.8	L190 A195 V283 P284 Q291 F306	L190-I287 HydrophobicContact CD1-CG2 4.18Å; A195-I287 HydrophobicContact CB-CG2 3.68Å; A195-I287 PolarHBondContact O-N 3.01Å; V283-I287 HydrophobicContact CG1-CB 4.25Å; V283-I287 HydrophobicContact CG1-CD1 4.26Å; V283-I287 HydrophobicContact CG1-CG2 3.92Å; P284-I287 HydrophobicContact CG-CD1 3.9Å; I287-Q291 HydrophobicContact CD1-CB 4.29Å; I287-Q291 HydrophobicContact CD1-CG 4.04Å; I287-Q291 HydrophobicContact CG1-CB 3.97Å; I287-Q291 HydrophobicContact CG1-CG 4.21Å; I287-F306 HydrophobicContact CD1-CD2 3.38Å; I287-F306 HydrophobicContact CD1-CE2 3.26Å; I287-F306 HydrophobicContact CD1-CG 4.27Å; I287-F306 HydrophobicContact CD1-CZ 4.05Å; I287-F306 HydrophobicContact CG1-CB 4.4Å; I287-F306 HydrophobicContact CG1-CD2 3.44Å; I287-F306 VanDerWaalsContact CG1-CD2 3.44Å; I287-F306 HydrophobicContact CG1-CE2 3.89Å; I287-F306 HydrophobicContact CG1-CG 3.97Å
288	E	88.9	Confident	88.7	Confident	150 Å²	150	68.1 Å²	68.1	70%	0.701	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-98.2	154.9	176.1	-64.1	-179.4	178.6	0	0	111.6	G290 Q291	E288-G290 PolarHBondContact O-N 3.33Å; E288-Q291 WeakPolarHBondContact O-CB 3.18Å; E288-Q291 PolarHBondContact O-N 2.72Å
289	D	88.1	Confident	88.2	Confident	155 Å²	155	72.1 Å²	72.1	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	133.4	176.2	-60.5	-38.6	0	0	0	110.6	Q291	D289-Q291 VanDerWaalsContact C-N 3.3Å
290	G	87.5	Confident	87.8	Confident	51 Å²	51	74.3 Å²	74.3	53%	0.526	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-1.7	-176.8	0	0	0	0	0	114.6	E288 F306	E288-G290 PolarHBondContact O-N 3.33Å; G290-F306 WeakPolarHBondContact CA-O 3.41Å; G290-F306 PolarHBondContact N-O 2.83Å
291	Q	87.2	Confident	87.5	Confident	86 Å²	86	74.1 Å²	74.1	40%	0.402	42%	0.419	S	S	.	.			trans	-67.5	137.1	173.5	-171.5	172.7	-17.2	0	0	110.4	I287 E288 D289 T305 F306	I287-Q291 HydrophobicContact CD1-CB 4.29Å; I287-Q291 HydrophobicContact CD1-CG 4.04Å; I287-Q291 HydrophobicContact CG1-CB 3.97Å; I287-Q291 HydrophobicContact CG1-CG 4.21Å; E288-Q291 WeakPolarHBondContact O-CB 3.18Å; E288-Q291 PolarHBondContact O-N 2.72Å; D289-Q291 VanDerWaalsContact C-N 3.3Å; Q291-T305 WeakPolarHBondContact O-CA 3.49Å; Q291-F306 HydrophobicContact CB-CD2 4.41Å; Q291-F306 WeakPolarHBondContact O-CD2 3.4Å; Q291-F306 PolarHBondContact O-N 3.31Å; Q291-F306 VanDerWaalsContact O-N 3.1Å
292	T	88.2	Confident	87.3	Confident	75 Å²	75	74.4 Å²	74.4	46%	0.46	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.1	179.6	-50.8	0	0	0	0	111.6	F303 V304 T305	T292-F303 HydrophobicContact CG2-CB 3.72Å; T292-F303 HydrophobicContact CG2-CD1 3.99Å; T292-F303 HydrophobicContact CG2-CG 4.32Å; T292-V304 CarbonylContact C-O 3.54Å; T292-V304 VanDerWaalsContact CA-O 3.29Å; T292-V304 WeakPolarHBondContact CA-O 3.44Å; T292-T305 PolarHBondContact OG1-OG1 3.4Å
293	L	88.1	Confident	87.2	Confident	49 Å²	49	73.9 Å²	73.9	26%	0.257	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130	171.3	-172.3	67.7	0	0	0	110.5	V281 I295 V304 F306	V281-L293 HydrophobicContact CG1-CD2 3.89Å; L293-I295 HydrophobicContact CD2-CD1 3.94Å; L293-I295 HydrophobicContact CD2-CG1 4.07Å; L293-I295 HydrophobicContact CG-CD1 4.33Å; L293-I295 HydrophobicContact CG-CG1 3.99Å; L293-V304 PolarHBondContact N-O 3.27Å; L293-V304 PolarHBondContact O-N 3.44Å; L293-F306 HydrophobicContact CB-CE2 3.82Å; L293-F306 HydrophobicContact CB-CZ 4.02Å; L293-F306 HydrophobicContact CD2-CZ 4.29Å
294	R	89	Confident	87	Confident	153 Å²	153	73.5 Å²	73.5	58%	0.577	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.7	175.1	-178.7	178.9	173.3	-170.4	-2.4	109.9	E301 F303	R294-E301 IonicContact CZ-OE1 3.07Å; R294-E301 VanDerWaalsContact CZ-OE1 3.26Å; R294-E301 IonicContact CZ-OE2 2.9Å; R294-E301 IonicContact NE-OE1 2.79Å; R294-E301 PolarHBondContact NE-OE1 3.25Å; R294-E301 VanDerWaalsContact NE-OE1 3.13Å; R294-E301 IonicContact NE-OE2 2.68Å; R294-E301 PolarHBondContact NE-OE2 3.09Å; R294-E301 IonicContact NH2-OE1 2.72Å; R294-E301 PolarHBondContact NH2-OE1 3.07Å; R294-E301 IonicContact NH2-OE2 2.6Å; R294-E301 PolarHBondContact NH2-OE2 2.78Å; R294-F303 HydrophobicContact CB-CD1 4.14Å; R294-F303 HydrophobicContact CB-CE1 4.06Å; R294-F303 HydrophobicContact CG-CD1 4.32Å; R294-F303 HydrophobicContact CG-CE1 3.89Å; R294-F303 HydrophobicContact CG-CZ 4.42Å
295	I	88.1	Confident	86.9	Confident	24 Å²	24	71.8 Å²	71.8	12%	0.123	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.3	-174.8	-50.1	178.6	0	0	0	109	V279 V281 L293 V297 E301 V302 V304	V279-I295 HydrophobicContact CG1-CG2 4.23Å; V281-I295 HydrophobicContact CB-CD1 3.8Å; V281-I295 HydrophobicContact CG1-CD1 3.29Å; V281-I295 HydrophobicContact CG2-CD1 3.31Å; L293-I295 HydrophobicContact CD2-CD1 3.94Å; L293-I295 HydrophobicContact CD2-CG1 4.07Å; L293-I295 HydrophobicContact CG-CD1 4.33Å; L293-I295 HydrophobicContact CG-CG1 3.99Å; I295-V297 HydrophobicContact CG2-CG2 4.32Å; I295-E301 CarbonylContact O-C 3.51Å; I295-E301 WeakPolarHBondContact O-CA 3.36Å; I295-V302 PolarHBondContact N-O 3.19Å; I295-V302 PolarHBondContact O-N 2.75Å; I295-V304 HydrophobicContact CD1-CB 4.42Å; I295-V304 HydrophobicContact CD1-CG2 3.69Å; I295-V304 HydrophobicContact CG1-CG2 4.44Å
296	Q	87.1	Confident	86.6	Confident	147 Å²	147	69.9 Å²	69.9	69%	0.687	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.1	175.2	-66.5	-171.9	-10.7	0	0	110.3	E301	Q296-E301 HydrophobicContact CG-CG 4.34Å; Q296-E301 PolarHBondContact NE2-OE1 2.77Å
297	V	84.7	Confident	86.3	Confident	10 Å²	10	70.6 Å²	70.6	6%	0.061	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	89.8	179.6	-172.9	0	0	0	0	108.6	V207 K277 V279 I295 K299 K300 V302	V207-V297 HydrophobicContact CG2-CB 4.27Å; V207-V297 HydrophobicContact CG2-CG1 3.93Å; K277-V297 HydrophobicContact CB-CG1 4.24Å; K277-V297 HydrophobicContact CD-CG1 4.03Å; V279-V297 HydrophobicContact CB-CG2 4.38Å; V279-V297 HydrophobicContact CG1-CG2 4.09Å; V279-V297 HydrophobicContact CG2-CB 4.19Å; V279-V297 HydrophobicContact CG2-CG1 3.43Å; V279-V297 VanDerWaalsContact CG2-CG1 3.43Å; V279-V297 HydrophobicContact CG2-CG2 3.66Å; I295-V297 HydrophobicContact CG2-CG2 4.32Å; V297-K299 PolarHBondContact O-N 3.46Å; V297-K300 CarbonylContact C-O 3.47Å; V297-K300 PolarHBondContact N-O 2.67Å; V297-K300 PolarHBondContact O-N 3.29Å; V297-V302 HydrophobicContact CB-CG2 4.09Å; V297-V302 HydrophobicContact CG2-CB 4.26Å; V297-V302 HydrophobicContact CG2-CG2 3.67Å
298	G	80.6	Confident	86.1	Confident	60 Å²	60	73.4 Å²	73.4	62%	0.619	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-122.5	-173.7	0	0	0	0	0	111.5
299	K	79.9	Confident	86	Confident	178 Å²	178	69.1 Å²	69.1	77%	0.774	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.5	178.2	-61.9	-179.3	-176.7	172.5	0	113.7	V297	V297-K299 PolarHBondContact O-N 3.46Å
300	K	80.6	Confident	85.8	Confident	70 Å²	70	64.1 Å²	64.1	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156	-179.5	-65.7	-160.3	171.2	-155.2	0	110	V207 V208 V297	V207-K300 HydrophobicContact CG1-CB 3.77Å; V207-K300 HydrophobicContact CG1-CD 3.96Å; V207-K300 HydrophobicContact CG1-CG 4.05Å; V208-K300 HydrophobicContact CB-CD 4.31Å; V208-K300 WeakPolarHBondContact O-CD 3.17Å; V208-K300 VanDerWaalsContact O-CE 3.23Å; V208-K300 WeakPolarHBondContact O-CE 3.29Å; V297-K300 CarbonylContact C-O 3.47Å; V297-K300 PolarHBondContact N-O 2.67Å; V297-K300 PolarHBondContact O-N 3.29Å
301	E	84.9	Confident	85.7	Confident	51 Å²	51	64.9 Å²	64.9	24%	0.238	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	160.1	174.6	-51	-168.5	134.4	0	0	108	N183 R294 I295 Q296	N183-E301 PolarHBondContact ND2-O 3.49Å; N183-E301 PolarHBondContact OD1-O 2.75Å; R294-E301 IonicContact CZ-OE1 3.07Å; R294-E301 VanDerWaalsContact CZ-OE1 3.26Å; R294-E301 IonicContact CZ-OE2 2.9Å; R294-E301 IonicContact NE-OE1 2.79Å; R294-E301 PolarHBondContact NE-OE1 3.25Å; R294-E301 VanDerWaalsContact NE-OE1 3.13Å; R294-E301 IonicContact NE-OE2 2.68Å; R294-E301 PolarHBondContact NE-OE2 3.09Å; R294-E301 IonicContact NH2-OE1 2.72Å; R294-E301 PolarHBondContact NH2-OE1 3.07Å; R294-E301 IonicContact NH2-OE2 2.6Å; R294-E301 PolarHBondContact NH2-OE2 2.78Å; I295-E301 CarbonylContact O-C 3.51Å; I295-E301 WeakPolarHBondContact O-CA 3.36Å; Q296-E301 HydrophobicContact CG-CG 4.34Å; Q296-E301 PolarHBondContact NE2-OE1 2.77Å
302	V	86.1	Confident	85.6	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.1	174.7	179.8	0	0	0	0	106.7	V186 V205 V207 I295 V297 V304	V186-V302 HydrophobicContact CG2-CG1 3.97Å; V205-V302 HydrophobicContact CG1-CG1 3.95Å; V205-V302 HydrophobicContact CG1-CG2 3.97Å; V205-V302 HydrophobicContact CG2-CG1 4.26Å; V207-V302 HydrophobicContact CG2-CG2 4.34Å; I295-V302 PolarHBondContact N-O 3.19Å; I295-V302 PolarHBondContact O-N 2.75Å; V297-V302 HydrophobicContact CB-CG2 4.09Å; V297-V302 HydrophobicContact CG2-CB 4.26Å; V297-V302 HydrophobicContact CG2-CG2 3.67Å; V302-V304 HydrophobicContact CG1-CG2 4.31Å
303	F	87.2	Confident	85.5	Confident	73 Å²	73	62.6 Å²	62.6	32%	0.32	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.9	173.4	-62.8	-83.6	0	0	0	108.3	N183 P185 V186 T292 R294	N183-F303 HydrophobicContact CB-CD2 3.87Å; N183-F303 HydrophobicContact CB-CE2 4.15Å; N183-F303 VanDerWaalsContact ND2-CD2 3.31Å; N183-F303 WeakPolarHBondContact ND2-CD2 3.35Å; N183-F303 VanDerWaalsContact ND2-CE2 3.29Å; N183-F303 WeakPolarHBondContact ND2-CE2 3.47Å; P185-F303 WeakPolarHBondContact CA-O 3.1Å; V186-F303 PolarHBondContact N-O 3.01Å; T292-F303 HydrophobicContact CG2-CB 3.72Å; T292-F303 HydrophobicContact CG2-CD1 3.99Å; T292-F303 HydrophobicContact CG2-CG 4.32Å; R294-F303 HydrophobicContact CB-CD1 4.14Å; R294-F303 HydrophobicContact CB-CE1 4.06Å; R294-F303 HydrophobicContact CG-CD1 4.32Å; R294-F303 HydrophobicContact CG-CE1 3.89Å; R294-F303 HydrophobicContact CG-CZ 4.42Å
304	V	86.9	Confident	85.3	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	176.5	-176.8	0	0	0	0	107.1	V186 M188 I203 T292 L293 I295 V302 F306	V186-V304 CarbonylContact O-C 3.55Å; V186-V304 WeakPolarHBondContact O-CA 3.35Å; M188-V304 HydrophobicContact CB-CG1 3.96Å; M188-V304 HydrophobicContact CE-CG1 4.1Å; I203-V304 HydrophobicContact CD1-CG2 3.58Å; T292-V304 CarbonylContact C-O 3.54Å; T292-V304 VanDerWaalsContact CA-O 3.29Å; T292-V304 WeakPolarHBondContact CA-O 3.44Å; L293-V304 PolarHBondContact N-O 3.27Å; L293-V304 PolarHBondContact O-N 3.44Å; I295-V304 HydrophobicContact CD1-CB 4.42Å; I295-V304 HydrophobicContact CD1-CG2 3.69Å; I295-V304 HydrophobicContact CG1-CG2 4.44Å; V302-V304 HydrophobicContact CG1-CG2 4.31Å; V304-F306 HydrophobicContact CG1-CE1 4.2Å; V304-F306 HydrophobicContact CG1-CZ 4.35Å
305	T	87.7	Confident	84.9	Confident	30 Å²	30	56.3 Å²	56.3	18%	0.184	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.1	177	-50.5	0	0	0	0	108.4	V186 I187 M188 Q291 T292	V186-T305 PolarHBondContact O-N 3.32Å; I187-T305 CarbonylContact C-O 3.6Å; I187-T305 WeakPolarHBondContact CA-O 2.88Å; M188-T305 PolarHBondContact N-O 3.49Å; Q291-T305 WeakPolarHBondContact O-CA 3.49Å; T292-T305 PolarHBondContact OG1-OG1 3.4Å
306	F	85.7	Confident	84.7	Confident	27 Å²	27	59.2 Å²	59.2	12%	0.118	30%	0.303	C	S	.	.			trans	-91.2	0	179.2	-54.2	-75.2	0	0	0	110.8	M188 L190 V283 I287 G290 Q291 L293 V304	M188-F306 HydrophobicContact CB-CD1 4.19Å; M188-F306 HydrophobicContact CB-CE1 4.45Å; M188-F306 HydrophobicContact SD-CD1 4.12Å; M188-F306 HydrophobicContact SD-CE1 3.75Å; L190-F306 HydrophobicContact CD1-CD1 3.5Å; L190-F306 VanDerWaalsContact CD1-CD1 3.5Å; L190-F306 HydrophobicContact CD1-CE1 4.02Å; L190-F306 HydrophobicContact CD1-CG 4.29Å; L190-F306 HydrophobicContact CG-CD1 4.23Å; V283-F306 HydrophobicContact CB-CE1 4.3Å; V283-F306 HydrophobicContact CG1-CD1 4.33Å; V283-F306 HydrophobicContact CG1-CE1 3.81Å; V283-F306 HydrophobicContact CG1-CZ 3.99Å; V283-F306 HydrophobicContact CG2-CD1 4.5Å; V283-F306 HydrophobicContact CG2-CE1 3.54Å; V283-F306 HydrophobicContact CG2-CZ 4.01Å; I287-F306 HydrophobicContact CD1-CD2 3.38Å; I287-F306 HydrophobicContact CD1-CE2 3.26Å; I287-F306 HydrophobicContact CD1-CG 4.27Å; I287-F306 HydrophobicContact CD1-CZ 4.05Å; I287-F306 HydrophobicContact CG1-CB 4.4Å; I287-F306 HydrophobicContact CG1-CD2 3.44Å; I287-F306 VanDerWaalsContact CG1-CD2 3.44Å; I287-F306 HydrophobicContact CG1-CE2 3.89Å; I287-F306 HydrophobicContact CG1-CG 3.97Å; G290-F306 WeakPolarHBondContact CA-O 3.41Å; G290-F306 PolarHBondContact N-O 2.83Å; Q291-F306 HydrophobicContact CB-CD2 4.41Å; Q291-F306 WeakPolarHBondContact O-CD2 3.4Å; Q291-F306 PolarHBondContact O-N 3.31Å; Q291-F306 VanDerWaalsContact O-N 3.1Å; L293-F306 HydrophobicContact CB-CE2 3.82Å; L293-F306 HydrophobicContact CB-CZ 4.02Å; L293-F306 HydrophobicContact CD2-CZ 4.29Å; V304-F306 HydrophobicContact CG1-CE1 4.2Å; V304-F306 HydrophobicContact CG1-CZ 4.35Å

Retrieved 306 of 306 residues in 179.9 ms (Link to these results)

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