A0A077YZB8_TRITR Loading...

mRNA-capping enzyme

Bifunctional mRNA-capping enzyme exhibiting RNA 5'-triphosphate monophosphatase activity in the N-terminal part and mRNA guanylyltransferase activity in the C-terminal part. Catalyzes the first two steps of cap formation: by removing the gamma-phosphate from the 5'-triphosphate end of nascent mRNA to yield a diphosphate end, and by transferring the GMP moiety of GTP to the 5'-diphosphate terminus of RNA via a covalent enzyme-GMP reaction intermediate.

AlphaFold DB , UniProt , Accession A0A077YZB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 612 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	33.7	Very low	35.8	Very low	241 Å²	241	120.8 Å²	120.8	100%	1.187	62%	0.623	S	S	*	*				0	122.8	0	-67.4	-176.1	-142.7	0	0	108.1	K3	M1-K3 PolarHBondContact O-N 3.25Å
2	S	34.3	Very low	36.9	Very low	114 Å²	114	121.6 Å²	121.6	80%	0.797	62%	0.621	S	S	*	*			trans	-55.5	122.4	-175.4	60.9	0	0	0	0	110.8	R4	S2-R4 PolarHBondContact O-N 2.95Å
3	K	33.2	Very low	38.8	Very low	210 Å²	210	119.7 Å²	119.7	91%	0.913	61%	0.613	S	S	*	*			trans	-60.1	104	171.2	-76	179.8	176.5	177.2	0	107.9	M1 S5	M1-K3 PolarHBondContact O-N 3.25Å; K3-S5 PolarHBondContact O-N 2.72Å
4	R	34.2	Very low	40.8	Very low	152 Å²	152	113.9 Å²	113.9	57%	0.574	60%	0.598	S	S	*	*			trans	-59.8	136.2	168.7	-69.9	-174.2	-174	-163.4	-1.2	107.9	S2 E12	S2-R4 PolarHBondContact O-N 2.95Å; R4-E12 IonicContact NH1-OE1 3.29Å; R4-E12 PolarHBondContact NH1-OE1 3.49Å; R4-E12 IonicContact NH1-OE2 3.58Å
5	S	35.3	Very low	42.7	Very low	48 Å²	48	107.5 Å²	107.5	34%	0.336	57%	0.566	S	S	.	*			trans	-67.6	148.3	173.1	67.9	0	0	0	0	109.6	K3 S7 Q8 A9	K3-S5 PolarHBondContact O-N 2.72Å; S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.09Å; S5-S7 PolarHBondContact OG-OG 2.69Å; S5-Q8 PolarHBondContact O-N 2.8Å; S5-Q8 WeakPolarHBondContact OG-CG 3.45Å; S5-Q8 PolarHBondContact OG-N 3.27Å; S5-A9 PolarHBondContact O-N 2.97Å
6	W	30.4	Very low	44	Very low	206 Å²	206	101.8 Å²	101.8	78%	0.78	54%	0.536	S	S	*	.	H	α-helix	trans	-54.1	-30.2	175.2	-134.2	93.5	0	0	0	112	N10	W6-N10 HydrophobicContact CE3-CB 4.46Å; W6-N10 WeakPolarHBondContact O-CB 3.22Å; W6-N10 PolarHBondContact O-N 3.19Å
7	S	32.1	Very low	45.2	Very low	88 Å²	88	98.8 Å²	98.8	62%	0.615	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-39.7	174.9	53.2	0	0	0	0	113.6	S5 N10 S11	S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.09Å; S5-S7 PolarHBondContact OG-OG 2.69Å; S7-N10 PolarHBondContact O-N 2.88Å; S7-S11 PolarHBondContact O-N 3.13Å; S7-S11 PolarHBondContact O-OG 3.39Å
8	Q	34.4	Very low	45.9	Very low	110 Å²	110	98.3 Å²	98.3	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-70.6	-36.2	178.3	-76.6	173.3	-29.4	0	0	112.5	S5 N10 S11	S5-Q8 PolarHBondContact O-N 2.8Å; S5-Q8 WeakPolarHBondContact OG-CG 3.45Å; S5-Q8 PolarHBondContact OG-N 3.27Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-S11 PolarHBondContact O-OG 3.29Å
9	A	36.3	Very low	47.1	Very low	48 Å²	48	93.3 Å²	93.3	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-30.9	176.1	0	0	0	0	0	112.4	S5	S5-A9 PolarHBondContact O-N 2.97Å
10	N	44.1	Very low	48	Very low	29 Å²	29	90.6 Å²	90.6	16%	0.155	48%	0.483	C	S	.	.	H	α-helix	trans	-81.3	-23.1	-175	-150.7	15.5	0	0	0	113.2	W6 S7 Q8	W6-N10 HydrophobicContact CE3-CB 4.46Å; W6-N10 WeakPolarHBondContact O-CB 3.22Å; W6-N10 PolarHBondContact O-N 3.19Å; S7-N10 PolarHBondContact O-N 2.88Å; Q8-N10 VanDerWaalsContact C-N 3.32Å
11	S	45.4	Very low	48.9	Very low	83 Å²	83	92.6 Å²	92.6	58%	0.58	49%	0.489	S	S	*	.	H	α-helix	trans	-74	-24.5	174.3	47.6	0	0	0	0	113.8	S7 Q8 L13	S7-S11 PolarHBondContact O-N 3.13Å; S7-S11 PolarHBondContact O-OG 3.39Å; Q8-S11 PolarHBondContact O-OG 3.29Å; S11-L13 VanDerWaalsContact C-N 3.34Å
12	E	49.8	Very low	50.2	Low	130 Å²	130	82.3 Å²	82.3	61%	0.607	44%	0.441	S	S	*	.	S	Bend	trans	-80.9	-13.8	176.6	-68.1	178.3	-174.8	0	0	112.7	R4 G14	R4-E12 IonicContact NH1-OE1 3.29Å; R4-E12 PolarHBondContact NH1-OE1 3.49Å; R4-E12 IonicContact NH1-OE2 3.58Å; E12-G14 PolarHBondContact O-N 3.32Å
13	L	61.1	Low	51.5	Low	97 Å²	97	80.9 Å²	80.9	51%	0.508	43%	0.429	S	S	.	.	S	Bend	trans	-82.1	116.9	178.6	-68.2	169.4	0	0	0	109.6	S11 R72	S11-L13 VanDerWaalsContact C-N 3.34Å; L13-R72 WeakPolarHBondContact O-CD 3.32Å; L13-R72 PolarHBondContact O-NH1 2.98Å
14	G	67.6	Low	53.1	Low	39 Å²	39	76 Å²	76	40%	0.402	41%	0.405	S	S	.	.			trans	-59.1	-176.5	172.7	0	0	0	0	0	114.4	E12 R72	E12-G14 PolarHBondContact O-N 3.32Å; G14-R72 PolarHBondContact O-NH1 2.68Å
15	P	68	Low	53.8	Low	18 Å²	18	74.2 Å²	74.2	12%	0.117	40%	0.401	C	S	.	.	S	Bend	trans	-66	150.7	-178.9	30.7	-27.1	0	0	0	109.2	G17 L20 L30 Y34 V37	P15-G17 PolarHBondContact O-N 3.36Å; P15-L20 HydrophobicContact CG-CD2 3.83Å; P15-L30 HydrophobicContact CB-CD1 3.85Å; P15-L30 HydrophobicContact CB-CD2 3.96Å; P15-L30 HydrophobicContact CG-CD1 4.34Å; P15-Y34 HydrophobicContact CB-CD1 4.48Å; P15-Y34 VanDerWaalsContact CD-CD1 3.44Å; P15-Y34 VanDerWaalsContact CD-CE1 3.44Å; P15-Y34 HydrophobicContact CG-CD1 3.75Å; P15-Y34 HydrophobicContact CG-CE1 4.1Å; P15-Y34 HydrophobicContact CG-CG 4.06Å; P15-V37 HydrophobicContact CG-CG2 4.16Å
16	P	64.7	Low	54.5	Low	15 Å²	15	73.7 Å²	73.7	10%	0.097	40%	0.403	C	S	.	.			trans	-51.4	128.7	174.7	-25.8	32.4	0	0	0	110.3	R18 W19 F73	P16-R18 HydrophobicContact CB-CG 3.73Å; P16-R18 PolarHBondContact O-N 3.45Å; P16-W19 HydrophobicContact CB-CD2 4.22Å; P16-W19 HydrophobicContact CB-CG 4.17Å; P16-W19 HydrophobicContact CG-CD2 3.91Å; P16-W19 HydrophobicContact CG-CE3 4.14Å; P16-W19 HydrophobicContact CG-CG 4.38Å; P16-W19 HydrophobicContact CG-CH2 4.43Å; P16-W19 HydrophobicContact CG-CZ2 4.25Å; P16-W19 HydrophobicContact CG-CZ3 4.38Å; P16-W19 WeakPolarHBondContact O-CB 3.35Å; P16-W19 PolarHBondContact O-N 3.09Å; P16-F73 HydrophobicContact CG-CE1 4.38Å
17	G	63.1	Low	55.9	Low	51 Å²	51	64.5 Å²	64.5	53%	0.526	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-54.4	-33.3	-174	0	0	0	0	0	114.2	P15 W19 L20	P15-G17 PolarHBondContact O-N 3.36Å; G17-W19 PolarHBondContact O-N 2.92Å; G17-W19 VanDerWaalsContact O-N 3.14Å; G17-L20 WeakPolarHBondContact O-CB 3.34Å; G17-L20 VanDerWaalsContact O-CG 3.29Å; G17-L20 WeakPolarHBondContact O-CG 3.25Å; G17-L20 PolarHBondContact O-N 3.43Å; G17-L20 VanDerWaalsContact O-N 3.14Å
18	R	59	Low	57.7	Low	91 Å²	91	60.5 Å²	60.5	34%	0.343	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.9	-16.5	171.4	53.2	167.8	175.9	-101.1	8.6	116	P16 L130	P16-R18 HydrophobicContact CB-CG 3.73Å; P16-R18 PolarHBondContact O-N 3.45Å; R18-L130 VanDerWaalsContact NE-CD1 3.27Å
19	W	68	Low	59.9	Low	2 Å²	2	55.5 Å²	55.5	1%	0.008	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-90.8	-16.3	178.5	-67	-0.2	0	0	0	112.5	P16 G17 H21 C22 T28 L30 F73 Q126 V128	P16-W19 HydrophobicContact CB-CD2 4.22Å; P16-W19 HydrophobicContact CB-CG 4.17Å; P16-W19 HydrophobicContact CG-CD2 3.91Å; P16-W19 HydrophobicContact CG-CE3 4.14Å; P16-W19 HydrophobicContact CG-CG 4.38Å; P16-W19 HydrophobicContact CG-CH2 4.43Å; P16-W19 HydrophobicContact CG-CZ2 4.25Å; P16-W19 HydrophobicContact CG-CZ3 4.38Å; P16-W19 WeakPolarHBondContact O-CB 3.35Å; P16-W19 PolarHBondContact O-N 3.09Å; G17-W19 PolarHBondContact O-N 2.92Å; G17-W19 VanDerWaalsContact O-N 3.14Å; W19-H21 VanDerWaalsContact C-N 3.29Å; W19-H21 PolarHBondContact O-N 3.47Å; W19-C22 PolarHBondContact O-N 3.36Å; W19-T28 HydrophobicContact CH2-CG2 3.61Å; W19-T28 WeakPolarHBondContact CH2-OG1 3.37Å; W19-T28 WeakPolarHBondContact CZ2-OG1 3.38Å; W19-T28 HydrophobicContact CZ3-CG2 3.5Å; W19-L30 HydrophobicContact CE3-CD1 4.47Å; W19-L30 HydrophobicContact CE3-CD2 3.96Å; W19-L30 HydrophobicContact CE3-CG 4.41Å; W19-L30 HydrophobicContact CZ3-CD2 4.1Å; W19-F73 HydrophobicContact CE3-CD1 4.44Å; W19-F73 HydrophobicContact CE3-CE1 4.33Å; W19-F73 HydrophobicContact CH2-CD1 4.24Å; W19-F73 HydrophobicContact CH2-CD2 4.25Å; W19-F73 AromaticContact CH2-CE1 3.84Å; W19-F73 HydrophobicContact CH2-CE1 3.84Å; W19-F73 AromaticContact CH2-CE2 3.82Å; W19-F73 HydrophobicContact CH2-CE2 3.82Å; W19-F73 HydrophobicContact CH2-CG 4.44Å; W19-F73 AromaticContact CH2-CZ 3.6Å; W19-F73 HydrophobicContact CH2-CZ 3.6Å; W19-F73 AromaticContact CZ3-CD1 3.56Å; W19-F73 HydrophobicContact CZ3-CD1 3.56Å; W19-F73 HydrophobicContact CZ3-CD2 4.23Å; W19-F73 AromaticContact CZ3-CE1 3.46Å; W19-F73 HydrophobicContact CZ3-CE1 3.46Å; W19-F73 VanDerWaalsContact CZ3-CE1 3.46Å; W19-F73 HydrophobicContact CZ3-CE2 4.11Å; W19-F73 AromaticContact CZ3-CG 3.96Å; W19-F73 HydrophobicContact CZ3-CG 3.96Å; W19-F73 AromaticContact CZ3-CZ 3.74Å; W19-F73 HydrophobicContact CZ3-CZ 3.74Å; W19-Q126 HydrophobicContact CZ2-CG 4.45Å; W19-V128 HydrophobicContact CZ2-CG2 4.26Å; W19-V128 VanDerWaalsContact NE1-CG2 3.34Å
20	L	65.9	Low	62.2	Low	40 Å²	40	53.6 Å²	53.6	21%	0.209	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.9	-174.5	-60.7	179	0	0	0	112.3	P15 G17 V37 V38 P39 N42	P15-L20 HydrophobicContact CG-CD2 3.83Å; G17-L20 WeakPolarHBondContact O-CB 3.34Å; G17-L20 VanDerWaalsContact O-CG 3.29Å; G17-L20 WeakPolarHBondContact O-CG 3.25Å; G17-L20 PolarHBondContact O-N 3.43Å; G17-L20 VanDerWaalsContact O-N 3.14Å; L20-V37 HydrophobicContact CD2-CB 4.29Å; L20-V37 HydrophobicContact CD2-CG2 4.09Å; L20-V38 HydrophobicContact CD2-CG2 3.84Å; L20-P39 VanDerWaalsContact O-CD 3.31Å; L20-P39 WeakPolarHBondContact O-CD 3.2Å; L20-N42 WeakPolarHBondContact O-CB 3.16Å
21	H	65.8	Low	64.2	Low	132 Å²	132	52.4 Å²	52.4	61%	0.611	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	12	179.5	-55.1	-69.7	0	0	0	113.2	W19	W19-H21 VanDerWaalsContact C-N 3.29Å; W19-H21 PolarHBondContact O-N 3.47Å
22	C	60.5	Low	66.3	Low	26 Å²	26	53.3 Å²	53.3	18%	0.176	29%	0.291	C	S	.	.			trans	-74.2	130.5	-179.3	-169.7	0	0	0	0	109.4	W19 K27	W19-C22 PolarHBondContact O-N 3.36Å; C22-K27 HydrophobicContact CB-CB 4.33Å; C22-K27 HydrophobicContact CB-CD 4.04Å; C22-K27 PolarHBondContact O-NZ 3.49Å
23	P	62.8	Low	68.1	Low	84 Å²	84	53.8 Å²	53.8	55%	0.545	29%	0.287	S	S	.	.			trans	-53	155.7	175.8	-25.8	33.4	0	0	0	112.3	K25 K27	P23-K25 PolarHBondContact O-N 3.35Å; P23-K27 WeakPolarHBondContact O-CD 3.27Å; P23-K27 PolarHBondContact O-NZ 2.7Å
24	R	66	Low	69.3	Low	106 Å²	106	50.2 Å²	50.2	40%	0.4	27%	0.267	S	S	.	.	S	Bend	trans	-58.4	-23.7	-176.1	-59.1	-173.9	-177.4	171.2	-6.7	114.2	E40 E41 R43 F44	R24-E40 PolarHBondContact NH2-O 3.16Å; R24-E41 WeakPolarHBondContact CG-O 3.29Å; R24-E41 PolarHBondContact NE-O 3.41Å; R24-R43 WeakPolarHBondContact CD-O 3.47Å; R24-R43 VanDerWaalsContact CG-O 3.3Å; R24-R43 WeakPolarHBondContact CG-O 3.16Å; R24-R43 PolarHBondContact NE-O 2.83Å; R24-R43 VanDerWaalsContact NE-O 3.11Å; R24-F44 HydrophobicContact CB-CB 4.37Å; R24-F44 HydrophobicContact CB-CD2 4.32Å; R24-F44 WeakPolarHBondContact O-CD1 3.35Å; R24-F44 WeakPolarHBondContact O-CG 3.07Å
25	K	50.5	Low	70.2	Confident	115 Å²	115	50.1 Å²	50.1	50%	0.5	26%	0.257	S	S	.	.	S	Bend	trans	-94.6	124.6	-179.5	-60.8	-173.2	174.7	-169.1	0	110.8	P23 C178	P23-K25 PolarHBondContact O-N 3.35Å; K25-C178 HydrophobicContact CD-CB 4.38Å
26	G	49.1	Very low	71.1	Confident	37 Å²	37	58.6 Å²	58.6	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	95.3	7.6	174.4	0	0	0	0	0	116.5
27	K	60	Low	71.9	Confident	14 Å²	14	61.7 Å²	61.7	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-112.6	159.3	174.9	71.5	-177.9	176.7	-149.1	0	112	C22 P23 N42 F44	C22-K27 HydrophobicContact CB-CB 4.33Å; C22-K27 HydrophobicContact CB-CD 4.04Å; C22-K27 PolarHBondContact O-NZ 3.49Å; P23-K27 WeakPolarHBondContact O-CD 3.27Å; P23-K27 PolarHBondContact O-NZ 2.7Å; K27-N42 VanDerWaalsContact NZ-C 3.33Å; K27-N42 PolarHBondContact NZ-O 3.07Å; K27-F44 HydrophobicContact CD-CB 4.37Å; K27-F44 HydrophobicContact CG-CB 4.41Å; K27-F44 HydrophobicContact CG-CD1 3.93Å
28	T	70.3	Confident	72.7	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.025	29%	0.29	C	S	.	.			trans	-61	129.5	167.9	-61	0	0	0	0	109.9	W19 L30 F73 Y74 L124	W19-T28 HydrophobicContact CH2-CG2 3.61Å; W19-T28 WeakPolarHBondContact CH2-OG1 3.37Å; W19-T28 WeakPolarHBondContact CZ2-OG1 3.38Å; W19-T28 HydrophobicContact CZ3-CG2 3.5Å; T28-L30 PolarHBondContact O-N 3.04Å; T28-F73 HydrophobicContact CG2-CB 4.03Å; T28-F73 HydrophobicContact CG2-CD2 3.94Å; T28-F73 HydrophobicContact CG2-CG 4.02Å; T28-Y74 HydrophobicContact CG2-CE1 4.49Å; T28-L124 HydrophobicContact CG2-CD1 3.76Å; T28-L124 HydrophobicContact CG2-CD2 3.78Å; T28-L124 HydrophobicContact CG2-CG 4.3Å
29	P	80.3	Confident	73.8	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.032	29%	0.285	C	S	.	.			trans	-54.7	139.9	170.2	-23.9	33.4	0	0	0	111.1	F44 P46 A49 W64 Y74	P29-F44 CarbonylContact C-O 3.59Å; P29-F44 WeakPolarHBondContact CA-O 3.39Å; P29-F44 HydrophobicContact CB-CD1 4.19Å; P29-F44 HydrophobicContact CB-CE1 4.35Å; P29-F44 HydrophobicContact CG-CD1 3.98Å; P29-F44 HydrophobicContact CG-CE1 3.67Å; P29-F44 HydrophobicContact CG-CZ 4.46Å; P29-P46 HydrophobicContact CB-CB 4.48Å; P29-P46 HydrophobicContact CB-CG 4.05Å; P29-A49 HydrophobicContact CG-CB 4.47Å; P29-W64 HydrophobicContact CG-CH2 3.95Å; P29-W64 HydrophobicContact CG-CZ2 3.95Å; P29-Y74 WeakPolarHBondContact O-CD1 3.45Å
30	L	84	Confident	74.6	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	32%	0.315	C	S	.	.			trans	-118.8	131.6	176.6	-71.5	179.8	0	0	0	107.9	P15 W19 T28 Y34 V38 F44 Y45 F73	P15-L30 HydrophobicContact CB-CD1 3.85Å; P15-L30 HydrophobicContact CB-CD2 3.96Å; P15-L30 HydrophobicContact CG-CD1 4.34Å; W19-L30 HydrophobicContact CE3-CD1 4.47Å; W19-L30 HydrophobicContact CE3-CD2 3.96Å; W19-L30 HydrophobicContact CE3-CG 4.41Å; W19-L30 HydrophobicContact CZ3-CD2 4.1Å; T28-L30 PolarHBondContact O-N 3.04Å; L30-Y34 HydrophobicContact CB-CD2 3.93Å; L30-Y34 HydrophobicContact CD2-CD2 3.92Å; L30-Y34 HydrophobicContact CD2-CE2 4.01Å; L30-Y34 HydrophobicContact CG-CD2 4.37Å; L30-V38 HydrophobicContact CD1-CG2 3.95Å; L30-F44 PolarHBondContact N-O 3.29Å; L30-Y45 WeakPolarHBondContact O-CD1 3.5Å; L30-F73 CarbonylContact C-O 3.52Å; L30-F73 VanDerWaalsContact CA-O 3.31Å; L30-F73 WeakPolarHBondContact CA-O 3.31Å; L30-F73 HydrophobicContact CD2-CB 4.14Å; L30-F73 HydrophobicContact CD2-CD1 4Å; L30-F73 HydrophobicContact CD2-CG 4.45Å
31	G	86.4	Confident	75.4	Confident	4 Å²	4	67.3 Å²	67.3	4%	0.041	33%	0.332	C	S	.	.			trans	-70.6	164.7	176.1	0	0	0	0	0	112.3	R33 Y34 F73	G31-R33 PolarHBondContact O-N 2.99Å; G31-Y34 PolarHBondContact O-N 3.23Å; G31-Y34 VanDerWaalsContact O-N 3.12Å; G31-F73 PolarHBondContact N-O 2.8Å
32	H	88.9	Confident	76	Confident	102 Å²	102	62 Å²	62	47%	0.472	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-53.3	-21.6	-178.3	-69.4	-73.3	0	0	0	115.4	Y34 D35 Y45	H32-Y34 PolarHBondContact O-N 3.33Å; H32-D35 WeakPolarHBondContact CA-OD1 3.5Å; H32-D35 IonicContact ND1-OD2 3.66Å; H32-D35 PolarHBondContact ND1-OD2 2.63Å; H32-D35 WeakPolarHBondContact O-CB 3.47Å; H32-D35 PolarHBondContact O-N 2.86Å; H32-D35 VanDerWaalsContact O-N 3.09Å; H32-Y45 AromaticContact CE1-CD1 3.65Å; H32-Y45 AromaticContact CE1-CD2 3.63Å; H32-Y45 AromaticContact CE1-CE1 3.5Å; H32-Y45 VanDerWaalsContact CE1-CE1 3.5Å; H32-Y45 WeakPolarHBondContact CE1-CE1 3.35Å; H32-Y45 AromaticContact CE1-CE2 3.45Å; H32-Y45 VanDerWaalsContact CE1-CE2 3.45Å; H32-Y45 WeakPolarHBondContact CE1-CE2 3.31Å; H32-Y45 AromaticContact CE1-CG 3.74Å; H32-Y45 AromaticContact CE1-CZ 3.37Å; H32-Y45 AromaticContact CG-CE1 3.91Å; H32-Y45 AromaticContact ND1-CD1 3.78Å; H32-Y45 AromaticContact ND1-CE1 3.3Å; H32-Y45 VanDerWaalsContact ND1-CE1 3.3Å; H32-Y45 WeakPolarHBondContact ND1-CE1 3.25Å; H32-Y45 AromaticContact ND1-CE2 3.95Å; H32-Y45 AromaticContact ND1-CZ 3.37Å; H32-Y45 AromaticContact NE2-CD1 3.9Å; H32-Y45 AromaticContact NE2-CG 3.88Å
33	R	87.2	Confident	77.2	Confident	140 Å²	140	63.7 Å²	63.7	53%	0.528	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56.8	-17.4	175.3	74.4	-177.5	82.7	-176.4	3.3	114.1	G31	G31-R33 PolarHBondContact O-N 2.99Å
34	Y	86.4	Confident	78.2	Confident	21 Å²	21	61.5 Å²	61.5	8%	0.082	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-102.8	6.4	-178.4	-58.7	-60.5	0	0	0	114.2	P15 L30 G31 H32 Q36 V37 V38 R72 F73	P15-Y34 HydrophobicContact CB-CD1 4.48Å; P15-Y34 VanDerWaalsContact CD-CD1 3.44Å; P15-Y34 VanDerWaalsContact CD-CE1 3.44Å; P15-Y34 HydrophobicContact CG-CD1 3.75Å; P15-Y34 HydrophobicContact CG-CE1 4.1Å; P15-Y34 HydrophobicContact CG-CG 4.06Å; L30-Y34 HydrophobicContact CB-CD2 3.93Å; L30-Y34 HydrophobicContact CD2-CD2 3.92Å; L30-Y34 HydrophobicContact CD2-CE2 4.01Å; L30-Y34 HydrophobicContact CG-CD2 4.37Å; G31-Y34 PolarHBondContact O-N 3.23Å; G31-Y34 VanDerWaalsContact O-N 3.12Å; H32-Y34 PolarHBondContact O-N 3.33Å; Y34-Q36 PolarHBondContact O-N 2.66Å; Y34-Q36 VanDerWaalsContact O-N 3.15Å; Y34-V37 HydrophobicContact CD1-CG2 4.26Å; Y34-V37 VanDerWaalsContact O-CG2 3.25Å; Y34-V37 WeakPolarHBondContact O-CG2 3.14Å; Y34-V37 PolarHBondContact O-N 2.82Å; Y34-V38 PolarHBondContact O-N 2.75Å; Y34-R72 WeakPolarHBondContact CE2-O 3.42Å; Y34-R72 PolarHBondContact OH-O 2.79Å; Y34-F73 WeakPolarHBondContact CE2-O 3.37Å
35	D	88	Confident	79.2	Confident	37 Å²	37	57.7 Å²	57.7	20%	0.198	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.1	-174.7	-69.7	-0.4	0	0	0	113.1	H32 V37 R43 Y45	H32-D35 WeakPolarHBondContact CA-OD1 3.5Å; H32-D35 IonicContact ND1-OD2 3.66Å; H32-D35 PolarHBondContact ND1-OD2 2.63Å; H32-D35 WeakPolarHBondContact O-CB 3.47Å; H32-D35 PolarHBondContact O-N 2.86Å; H32-D35 VanDerWaalsContact O-N 3.09Å; D35-V37 VanDerWaalsContact C-N 3.34Å; D35-R43 PolarHBondContact O-NE 3.41Å; D35-R43 PolarHBondContact O-NH2 2.71Å; D35-R43 IonicContact OD1-NE 3.67Å; D35-Y45 VanDerWaalsContact OD1-CE1 3.32Å; D35-Y45 WeakPolarHBondContact OD1-CE1 3.37Å; D35-Y45 PolarHBondContact OD1-OH 3.03Å; D35-Y45 VanDerWaalsContact OD1-OH 3.13Å; D35-Y45 PolarHBondContact OD2-OH 2.86Å
36	Q	85.8	Confident	80.9	Confident	196 Å²	196	52.2 Å²	52.2	92%	0.916	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.1	176.5	-63.9	-174.4	-5.6	0	0	113.8	Y34	Y34-Q36 PolarHBondContact O-N 2.66Å; Y34-Q36 VanDerWaalsContact O-N 3.15Å
37	V	81	Confident	82.6	Confident	80 Å²	80	52 Å²	52	49%	0.485	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-19.8	-177.5	-62.1	0	0	0	0	113.2	P15 L20 Y34 D35	P15-V37 HydrophobicContact CG-CG2 4.16Å; L20-V37 HydrophobicContact CD2-CB 4.29Å; L20-V37 HydrophobicContact CD2-CG2 4.09Å; Y34-V37 HydrophobicContact CD1-CG2 4.26Å; Y34-V37 VanDerWaalsContact O-CG2 3.25Å; Y34-V37 WeakPolarHBondContact O-CG2 3.14Å; Y34-V37 PolarHBondContact O-N 2.82Å; D35-V37 VanDerWaalsContact C-N 3.34Å
38	V	80.7	Confident	83.7	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	26%	0.262	C	S	.	.	S	Bend	trans	-103.3	119.4	177.7	-176.3	0	0	0	0	109.5	L20 L30 Y34 N42 R43	L20-V38 HydrophobicContact CD2-CG2 3.84Å; L30-V38 HydrophobicContact CD1-CG2 3.95Å; Y34-V38 PolarHBondContact O-N 2.75Å; V38-N42 HydrophobicContact CG1-CB 3.97Å; V38-N42 WeakPolarHBondContact CG1-O 3.43Å; V38-R43 HydrophobicContact CB-CG 4.26Å; V38-R43 HydrophobicContact CG1-CG 3.96Å; V38-R43 PolarHBondContact O-NE 3.3Å
39	P	82.4	Confident	84	Confident	37 Å²	37	55.4 Å²	55.4	24%	0.24	27%	0.268	C	S	.	.			trans	-52.7	144	173.9	-24.7	33.7	0	0	0	112	L20 E41 N42 R43	L20-P39 VanDerWaalsContact O-CD 3.31Å; L20-P39 WeakPolarHBondContact O-CD 3.2Å; P39-E41 VanDerWaalsContact C-N 3.31Å; P39-E41 VanDerWaalsContact CB-CD 3.43Å; P39-E41 HydrophobicContact CB-CG 4.41Å; P39-E41 VanDerWaalsContact CB-OE1 3.23Å; P39-E41 WeakPolarHBondContact CB-OE1 3.19Å; P39-E41 WeakPolarHBondContact CB-OE2 3.22Å; P39-E41 PolarHBondContact O-N 3.33Å; P39-N42 HydrophobicContact CB-CB 4.48Å; P39-N42 CarbonylContact O-C 3.48Å; P39-N42 VanDerWaalsContact O-CA 3.3Å; P39-N42 WeakPolarHBondContact O-CA 3.39Å; P39-N42 WeakPolarHBondContact O-CB 3.49Å; P39-N42 PolarHBondContact O-N 3.2Å; P39-R43 WeakPolarHBondContact O-CG 3.32Å; P39-R43 PolarHBondContact O-N 2.97Å
40	E	85.1	Confident	83.8	Confident	137 Å²	137	56.6 Å²	56.6	64%	0.64	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-55.8	-42.8	-171.9	-174	178.6	165.3	0	0	113	R24 N42 R43	R24-E40 PolarHBondContact NH2-O 3.16Å; E40-N42 PolarHBondContact O-N 3.43Å; E40-R43 PolarHBondContact O-N 3.02Å; E40-R43 VanDerWaalsContact O-N 3.12Å
41	E	82.2	Confident	83.1	Confident	123 Å²	123	64.4 Å²	64.4	58%	0.575	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.2	174.8	66.6	-83.2	-165.5	0	0	112.6	R24 P39	R24-E41 WeakPolarHBondContact CG-O 3.29Å; R24-E41 PolarHBondContact NE-O 3.41Å; P39-E41 VanDerWaalsContact C-N 3.31Å; P39-E41 VanDerWaalsContact CB-CD 3.43Å; P39-E41 HydrophobicContact CB-CG 4.41Å; P39-E41 VanDerWaalsContact CB-OE1 3.23Å; P39-E41 WeakPolarHBondContact CB-OE1 3.19Å; P39-E41 WeakPolarHBondContact CB-OE2 3.22Å; P39-E41 PolarHBondContact O-N 3.33Å
42	N	78.9	Confident	81.5	Confident	22 Å²	22	66 Å²	66	12%	0.118	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-103.7	12.1	179.9	-63.4	-44.3	0	0	0	113.3	L20 K27 V38 P39 E40	L20-N42 WeakPolarHBondContact O-CB 3.16Å; K27-N42 VanDerWaalsContact NZ-C 3.33Å; K27-N42 PolarHBondContact NZ-O 3.07Å; V38-N42 HydrophobicContact CG1-CB 3.97Å; V38-N42 WeakPolarHBondContact CG1-O 3.43Å; P39-N42 HydrophobicContact CB-CB 4.48Å; P39-N42 CarbonylContact O-C 3.48Å; P39-N42 VanDerWaalsContact O-CA 3.3Å; P39-N42 WeakPolarHBondContact O-CA 3.39Å; P39-N42 WeakPolarHBondContact O-CB 3.49Å; P39-N42 PolarHBondContact O-N 3.2Å; E40-N42 PolarHBondContact O-N 3.43Å
43	R	84.9	Confident	79.5	Confident	60 Å²	60	64 Å²	64	23%	0.226	33%	0.331	C	S	.	.			trans	-80	138.6	173.6	-61.1	-177.8	-167.1	151.6	-4.1	111.1	R24 D35 V38 P39 E40 Y45	R24-R43 WeakPolarHBondContact CD-O 3.47Å; R24-R43 VanDerWaalsContact CG-O 3.3Å; R24-R43 WeakPolarHBondContact CG-O 3.16Å; R24-R43 PolarHBondContact NE-O 2.83Å; R24-R43 VanDerWaalsContact NE-O 3.11Å; D35-R43 PolarHBondContact O-NE 3.41Å; D35-R43 PolarHBondContact O-NH2 2.71Å; D35-R43 IonicContact OD1-NE 3.67Å; V38-R43 HydrophobicContact CB-CG 4.26Å; V38-R43 HydrophobicContact CG1-CG 3.96Å; V38-R43 PolarHBondContact O-NE 3.3Å; P39-R43 WeakPolarHBondContact O-CG 3.32Å; P39-R43 PolarHBondContact O-N 2.97Å; E40-R43 PolarHBondContact O-N 3.02Å; E40-R43 VanDerWaalsContact O-N 3.12Å; R43-Y45 HydrophobicContact CB-CE1 4.23Å; R43-Y45 HydrophobicContact CB-CE2 4.33Å; R43-Y45 WeakPolarHBondContact CD-OH 3.34Å
44	F	84.5	Confident	77.8	Confident	39 Å²	39	60.3 Å²	60.3	17%	0.171	34%	0.337	C	S	.	.			trans	-145.8	100.7	177.9	-178.7	-127	0	0	0	109.3	R24 K27 P29 L30 M48 A49	R24-F44 HydrophobicContact CB-CB 4.37Å; R24-F44 HydrophobicContact CB-CD2 4.32Å; R24-F44 WeakPolarHBondContact O-CD1 3.35Å; R24-F44 WeakPolarHBondContact O-CG 3.07Å; K27-F44 HydrophobicContact CD-CB 4.37Å; K27-F44 HydrophobicContact CG-CB 4.41Å; K27-F44 HydrophobicContact CG-CD1 3.93Å; P29-F44 CarbonylContact C-O 3.59Å; P29-F44 WeakPolarHBondContact CA-O 3.39Å; P29-F44 HydrophobicContact CB-CD1 4.19Å; P29-F44 HydrophobicContact CB-CE1 4.35Å; P29-F44 HydrophobicContact CG-CD1 3.98Å; P29-F44 HydrophobicContact CG-CE1 3.67Å; P29-F44 HydrophobicContact CG-CZ 4.46Å; L30-F44 PolarHBondContact N-O 3.29Å; F44-M48 HydrophobicContact CD2-CB 3.9Å; F44-M48 HydrophobicContact CD2-SD 4.26Å; F44-M48 HydrophobicContact CE2-CB 3.99Å; F44-A49 HydrophobicContact CE2-CB 4.33Å; F44-A49 HydrophobicContact CZ-CB 3.82Å
45	Y	86.9	Confident	75.7	Confident	26 Å²	26	62.3 Å²	62.3	10%	0.102	35%	0.349	C	S	.	.			trans	-88.5	157.4	-176.5	-49.4	-62.4	0	0	0	111.5	L30 H32 D35 R43 S47 M48 A49	L30-Y45 WeakPolarHBondContact O-CD1 3.5Å; H32-Y45 AromaticContact CE1-CD1 3.65Å; H32-Y45 AromaticContact CE1-CD2 3.63Å; H32-Y45 AromaticContact CE1-CE1 3.5Å; H32-Y45 VanDerWaalsContact CE1-CE1 3.5Å; H32-Y45 WeakPolarHBondContact CE1-CE1 3.35Å; H32-Y45 AromaticContact CE1-CE2 3.45Å; H32-Y45 VanDerWaalsContact CE1-CE2 3.45Å; H32-Y45 WeakPolarHBondContact CE1-CE2 3.31Å; H32-Y45 AromaticContact CE1-CG 3.74Å; H32-Y45 AromaticContact CE1-CZ 3.37Å; H32-Y45 AromaticContact CG-CE1 3.91Å; H32-Y45 AromaticContact ND1-CD1 3.78Å; H32-Y45 AromaticContact ND1-CE1 3.3Å; H32-Y45 VanDerWaalsContact ND1-CE1 3.3Å; H32-Y45 WeakPolarHBondContact ND1-CE1 3.25Å; H32-Y45 AromaticContact ND1-CE2 3.95Å; H32-Y45 AromaticContact ND1-CZ 3.37Å; H32-Y45 AromaticContact NE2-CD1 3.9Å; H32-Y45 AromaticContact NE2-CG 3.88Å; D35-Y45 VanDerWaalsContact OD1-CE1 3.32Å; D35-Y45 WeakPolarHBondContact OD1-CE1 3.37Å; D35-Y45 PolarHBondContact OD1-OH 3.03Å; D35-Y45 VanDerWaalsContact OD1-OH 3.13Å; D35-Y45 PolarHBondContact OD2-OH 2.86Å; R43-Y45 HydrophobicContact CB-CE1 4.23Å; R43-Y45 HydrophobicContact CB-CE2 4.33Å; R43-Y45 WeakPolarHBondContact CD-OH 3.34Å; Y45-S47 WeakPolarHBondContact CB-OG 3.37Å; Y45-S47 PolarHBondContact O-N 3.47Å; Y45-M48 HydrophobicContact CD2-CE 3.45Å; Y45-M48 VanDerWaalsContact CD2-CE 3.45Å; Y45-M48 HydrophobicContact CD2-CG 4.03Å; Y45-M48 HydrophobicContact CD2-SD 3.86Å; Y45-M48 HydrophobicContact CE2-CE 3.57Å; Y45-M48 HydrophobicContact CE2-SD 4.44Å; Y45-M48 WeakPolarHBondContact O-CA 3.36Å; Y45-M48 WeakPolarHBondContact O-CB 3.42Å; Y45-M48 PolarHBondContact O-N 2.98Å; Y45-A49 PolarHBondContact O-N 3.46Å
46	P	85.4	Confident	73.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-52.1	-42.7	169.3	-22.2	29.8	0	0	0	112.8	P29 M48 A49 L50 W64 Y74 E78 I79	P29-P46 HydrophobicContact CB-CB 4.48Å; P29-P46 HydrophobicContact CB-CG 4.05Å; P46-M48 PolarHBondContact O-N 3.12Å; P46-A49 CarbonylContact O-C 3.58Å; P46-A49 WeakPolarHBondContact O-CA 3.21Å; P46-A49 WeakPolarHBondContact O-CB 3.45Å; P46-A49 PolarHBondContact O-N 3.15Å; P46-L50 WeakPolarHBondContact O-CG 3.35Å; P46-L50 PolarHBondContact O-N 2.94Å; P46-W64 HydrophobicContact CB-CH2 4.34Å; P46-Y74 VanDerWaalsContact CG-CB 3.44Å; P46-Y74 HydrophobicContact CG-CD2 4Å; P46-Y74 HydrophobicContact CG-CG 3.77Å; P46-E78 HydrophobicContact CB-CG 4.22Å; P46-E78 WeakPolarHBondContact CD-OE1 3.5Å; P46-E78 WeakPolarHBondContact CD-OE2 3.45Å; P46-E78 WeakPolarHBondContact CG-OE2 3.3Å; P46-I79 HydrophobicContact CB-CD1 3.48Å; P46-I79 VanDerWaalsContact CB-CD1 3.48Å; P46-I79 HydrophobicContact CB-CG1 4.43Å
47	S	85.1	Confident	72.1	Confident	32 Å²	32	54.5 Å²	54.5	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-32.7	173.1	51.2	0	0	0	0	113.8	Y45 A49 L50 K51 E78	Y45-S47 WeakPolarHBondContact CB-OG 3.37Å; Y45-S47 PolarHBondContact O-N 3.47Å; S47-A49 VanDerWaalsContact C-N 3.35Å; S47-L50 PolarHBondContact O-N 3.13Å; S47-K51 WeakPolarHBondContact O-CB 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.09Å; S47-E78 WeakPolarHBondContact CB-OE1 3.42Å; S47-E78 PolarHBondContact N-OE1 2.84Å; S47-E78 PolarHBondContact OG-OE1 2.79Å
48	M	82.8	Confident	71.1	Confident	70 Å²	70	58.9 Å²	58.9	35%	0.345	35%	0.345	S	S	.	.	H	α-helix	trans	-70.5	-31.9	173.5	-65.5	179.1	170.3	0	0	112.3	F44 Y45 P46	F44-M48 HydrophobicContact CD2-CB 3.9Å; F44-M48 HydrophobicContact CD2-SD 4.26Å; F44-M48 HydrophobicContact CE2-CB 3.99Å; Y45-M48 HydrophobicContact CD2-CE 3.45Å; Y45-M48 VanDerWaalsContact CD2-CE 3.45Å; Y45-M48 HydrophobicContact CD2-CG 4.03Å; Y45-M48 HydrophobicContact CD2-SD 3.86Å; Y45-M48 HydrophobicContact CE2-CE 3.57Å; Y45-M48 HydrophobicContact CE2-SD 4.44Å; Y45-M48 WeakPolarHBondContact O-CA 3.36Å; Y45-M48 WeakPolarHBondContact O-CB 3.42Å; Y45-M48 PolarHBondContact O-N 2.98Å; P46-M48 PolarHBondContact O-N 3.12Å
49	A	76.5	Confident	70.1	Confident	19 Å²	19	62.8 Å²	62.8	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-75.2	-33.5	174.2	0	0	0	0	0	112	P29 F44 Y45 P46 S47 W64	P29-A49 HydrophobicContact CG-CB 4.47Å; F44-A49 HydrophobicContact CE2-CB 4.33Å; F44-A49 HydrophobicContact CZ-CB 3.82Å; Y45-A49 PolarHBondContact O-N 3.46Å; P46-A49 CarbonylContact O-C 3.58Å; P46-A49 WeakPolarHBondContact O-CA 3.21Å; P46-A49 WeakPolarHBondContact O-CB 3.45Å; P46-A49 PolarHBondContact O-N 3.15Å; S47-A49 VanDerWaalsContact C-N 3.35Å; A49-W64 HydrophobicContact CB-CH2 3.78Å; A49-W64 HydrophobicContact CB-CZ3 4.01Å
50	L	77	Confident	69.5	Low	30 Å²	30	66.7 Å²	66.7	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-79.1	-35.2	-179	-70.9	170.4	0	0	0	114	P46 S47 G52 I61 W64 I79 A82 V84	P46-L50 WeakPolarHBondContact O-CG 3.35Å; P46-L50 PolarHBondContact O-N 2.94Å; S47-L50 PolarHBondContact O-N 3.13Å; L50-G52 PolarHBondContact O-N 3.18Å; L50-I61 HydrophobicContact CD2-CB 4.37Å; L50-W64 HydrophobicContact CD2-CE3 3.94Å; L50-W64 HydrophobicContact CD2-CZ3 3.89Å; L50-W64 HydrophobicContact CG-CE3 4.46Å; L50-W64 HydrophobicContact CG-CZ3 3.98Å; L50-I79 HydrophobicContact CD1-CD1 3.66Å; L50-I79 HydrophobicContact CD2-CD1 4.42Å; L50-I79 HydrophobicContact CG-CD1 4.17Å; L50-A82 HydrophobicContact CD1-CB 3.56Å; L50-V84 HydrophobicContact CD2-CB 4.32Å; L50-V84 HydrophobicContact CD2-CG1 4.5Å; L50-V84 HydrophobicContact CD2-CG2 3.58Å
51	K	68.5	Low	69.1	Low	172 Å²	172	60.9 Å²	60.9	75%	0.748	35%	0.35	S	S	*	.	S	Bend	trans	-64.2	14.1	-175	-86.9	-179.8	178.6	-177.5	0	115.6	S47 G53	S47-K51 WeakPolarHBondContact O-CB 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.09Å; K51-G53 PolarHBondContact O-N 3.35Å
52	G	54.2	Low	68.9	Low	37 Å²	37	55.4 Å²	55.4	38%	0.381	33%	0.326	S	S	.	.			trans	49.7	54.7	170.2	0	0	0	0	0	111.9	L50	L50-G52 PolarHBondContact O-N 3.18Å
53	G	45.3	Very low	69	Low	60 Å²	60	54.4 Å²	54.4	62%	0.619	32%	0.32	S	S	*	.			trans	-122.9	122.5	-172.9	0	0	0	0	0	111.8	K51	K51-G53 PolarHBondContact O-N 3.35Å
54	G	53.1	Low	68.9	Low	64 Å²	64	52 Å²	52	66%	0.66	31%	0.311	S	S	*	.	S	Bend	trans	101.1	-134.6	-174.9	0	0	0	0	0	111.7	L56	G54-L56 PolarHBondContact O-N 2.82Å; G54-L56 VanDerWaalsContact O-N 3.14Å
55	D	41.4	Very low	68.8	Low	63 Å²	63	50.1 Å²	50.1	34%	0.337	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.6	-167.7	-65.3	-20.1	0	0	0	114.2	G57 V177 C178 K180	D55-G57 PolarHBondContact O-N 3.21Å; D55-G57 VanDerWaalsContact O-N 3.1Å; D55-V177 WeakPolarHBondContact OD2-CA 3.16Å; D55-C178 HydrophobicContact CB-CB 4.1Å; D55-C178 WeakPolarHBondContact OD2-CA 3.38Å; D55-C178 WeakPolarHBondContact OD2-CB 3.43Å; D55-C178 PolarHBondContact OD2-N 3.06Å; D55-K180 VanDerWaalsContact C-NZ 3.31Å; D55-K180 WeakPolarHBondContact O-CE 3.46Å; D55-K180 PolarHBondContact O-NZ 2.89Å
56	L	44.8	Very low	68.7	Low	24 Å²	24	49 Å²	49	13%	0.126	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.7	-179.5	-83.4	151.3	0	0	0	114.5	G54 K59 I120 K180	G54-L56 PolarHBondContact O-N 2.82Å; G54-L56 VanDerWaalsContact O-N 3.14Å; L56-K59 WeakPolarHBondContact O-CB 3.2Å; L56-K59 PolarHBondContact O-N 3.33Å; L56-I120 HydrophobicContact CD2-CD1 3.54Å; L56-K180 VanDerWaalsContact CA-NZ 3.33Å; L56-K180 HydrophobicContact CD2-CG 4.22Å; L56-K180 HydrophobicContact CG-CG 4.27Å
57	G	53.1	Low	68.2	Low	45 Å²	45	50.2 Å²	50.2	46%	0.464	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-145.7	-172.3	0	0	0	0	0	109.6	D55 K59	D55-G57 PolarHBondContact O-N 3.21Å; D55-G57 VanDerWaalsContact O-N 3.1Å; G57-K59 PolarHBondContact O-N 2.58Å
58	D	60.7	Low	67.7	Low	172 Å²	172	48.7 Å²	48.7	92%	0.92	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	9.5	179.6	-54.8	-29.2	0	0	0	113.7
59	K	59.7	Low	67.3	Low	87 Å²	87	48.5 Å²	48.5	38%	0.378	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-86.1	121.2	-176.3	-62	-169.6	175.6	-172.8	0	111.6	L56 G57 I120	L56-K59 WeakPolarHBondContact O-CB 3.2Å; L56-K59 PolarHBondContact O-N 3.33Å; G57-K59 PolarHBondContact O-N 2.58Å; K59-I120 HydrophobicContact CB-CD1 3.32Å; K59-I120 HydrophobicContact CB-CG1 4Å; K59-I120 HydrophobicContact CD-CD1 3.7Å; K59-I120 HydrophobicContact CD-CG1 4.21Å; K59-I120 HydrophobicContact CG-CD1 4.15Å
60	E	70	Confident	67.1	Low	119 Å²	119	48.3 Å²	48.3	56%	0.556	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-86.4	146	176.3	-62.3	-177.1	168.2	0	0	112.4	K119 I120	E60-K119 HydrophobicContact CB-CD 4.31Å; E60-K119 WeakPolarHBondContact O-CB 3.33Å; E60-K119 IonicContact OE2-NZ 3.05Å; E60-K119 PolarHBondContact OE2-NZ 2.82Å; E60-I120 WeakPolarHBondContact O-CB 3.22Å; E60-I120 PolarHBondContact O-N 3.5Å
61	I	75.1	Confident	67.4	Low	15 Å²	15	55 Å²	55	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.6	168.2	-60.5	175.4	0	0	0	107.6	L50 L63 V84 I120	L50-I61 HydrophobicContact CD2-CB 4.37Å; I61-L63 WeakPolarHBondContact CG2-O 2.98Å; I61-V84 HydrophobicContact CG2-CG1 3.88Å; I61-V84 WeakPolarHBondContact O-CG2 3.27Å; I61-I120 CarbonylContact C-O 3.52Å; I61-I120 WeakPolarHBondContact CA-O 3.27Å; I61-I120 HydrophobicContact CG1-CG2 4.45Å
62	G	79	Confident	68	Low	8 Å²	8	47.9 Å²	47.9	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-12.8	175.9	0	0	0	0	0	114.2	E85 F113 I120	G62-E85 PolarHBondContact O-N 2.91Å; G62-F113 VanDerWaalsContact C-CE2 3.49Å; G62-F113 VanDerWaalsContact C-CZ 3.42Å; G62-F113 WeakPolarHBondContact O-CE2 3.41Å; G62-I120 PolarHBondContact N-O 3.27Å
63	L	81	Confident	69.4	Low	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.5	174	173.5	66.1	0	0	0	110.3	I61 I65 E85 V87 I109 F113 I120 V121 G122	I61-L63 WeakPolarHBondContact CG2-O 2.98Å; L63-I65 HydrophobicContact CD1-CG1 4.31Å; L63-I65 HydrophobicContact CD2-CD1 3.93Å; L63-I65 HydrophobicContact CD2-CG1 3.92Å; L63-I65 HydrophobicContact CG-CD1 4.42Å; L63-I65 HydrophobicContact CG-CG1 3.87Å; L63-E85 CarbonylContact C-O 3.48Å; L63-E85 WeakPolarHBondContact CA-O 3.43Å; L63-E85 HydrophobicContact CD1-CB 3.92Å; L63-E85 HydrophobicContact CD1-CG 3.82Å; L63-V87 HydrophobicContact CD1-CB 4.38Å; L63-V87 HydrophobicContact CD1-CG2 3.69Å; L63-I109 HydrophobicContact CD2-CG2 3.77Å; L63-F113 HydrophobicContact CB-CD1 4.05Å; L63-F113 HydrophobicContact CB-CD2 3.58Å; L63-F113 HydrophobicContact CB-CE1 3.95Å; L63-F113 HydrophobicContact CB-CE2 3.53Å; L63-F113 HydrophobicContact CB-CG 3.86Å; L63-F113 HydrophobicContact CB-CZ 3.7Å; L63-F113 HydrophobicContact CD2-CB 3.66Å; L63-F113 HydrophobicContact CD2-CD1 4.16Å; L63-F113 HydrophobicContact CD2-CD2 4.01Å; L63-F113 HydrophobicContact CD2-CG 3.67Å; L63-F113 HydrophobicContact CG-CD2 4.31Å; L63-F113 HydrophobicContact CG-CG 4.38Å; L63-I120 PolarHBondContact N-O 3.23Å; L63-V121 HydrophobicContact CB-CG1 4.36Å; L63-V121 HydrophobicContact CB-CG2 4.35Å; L63-V121 HydrophobicContact CD2-CG1 3.88Å; L63-V121 HydrophobicContact CD2-CG2 4.05Å; L63-V121 HydrophobicContact CG-CG1 4.09Å; L63-V121 CarbonylContact O-C 3.53Å; L63-V121 WeakPolarHBondContact O-CA 3.47Å; L63-G122 WeakPolarHBondContact O-CA 3.37Å; L63-G122 PolarHBondContact O-N 2.91Å
64	W	83.6	Confident	71.4	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.038	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.4	176.6	-168	-64.8	0	0	0	110	P29 P46 A49 L50 Y74 I79 V84 E85 Y86 V87 G122	P29-W64 HydrophobicContact CG-CH2 3.95Å; P29-W64 HydrophobicContact CG-CZ2 3.95Å; P46-W64 HydrophobicContact CB-CH2 4.34Å; A49-W64 HydrophobicContact CB-CH2 3.78Å; A49-W64 HydrophobicContact CB-CZ3 4.01Å; L50-W64 HydrophobicContact CD2-CE3 3.94Å; L50-W64 HydrophobicContact CD2-CZ3 3.89Å; L50-W64 HydrophobicContact CG-CE3 4.46Å; L50-W64 HydrophobicContact CG-CZ3 3.98Å; W64-Y74 AromaticContact NE1-CZ 3.78Å; W64-Y74 PolarHBondContact NE1-OH 2.97Å; W64-I79 HydrophobicContact CB-CG2 3.68Å; W64-I79 HydrophobicContact CD2-CD1 3.72Å; W64-I79 HydrophobicContact CD2-CG1 4.15Å; W64-I79 HydrophobicContact CD2-CG2 4.23Å; W64-I79 HydrophobicContact CE3-CD1 3.43Å; W64-I79 VanDerWaalsContact CE3-CD1 3.43Å; W64-I79 HydrophobicContact CE3-CG1 4.3Å; W64-I79 HydrophobicContact CE3-CG2 4.25Å; W64-I79 HydrophobicContact CG-CD1 4.47Å; W64-I79 HydrophobicContact CG-CG1 4.43Å; W64-I79 HydrophobicContact CG-CG2 4.03Å; W64-I79 HydrophobicContact CH2-CD1 3.8Å; W64-I79 HydrophobicContact CZ2-CD1 4.08Å; W64-I79 HydrophobicContact CZ3-CD1 3.48Å; W64-I79 VanDerWaalsContact CZ3-CD1 3.48Å; W64-V84 HydrophobicContact CB-CG1 3.98Å; W64-E85 PolarHBondContact N-O 2.71Å; W64-Y86 HydrophobicContact CB-CD2 4.27Å; W64-Y86 AromaticContact CD1-CD2 3.85Å; W64-Y86 AromaticContact CD1-CE2 3.89Å; W64-Y86 HydrophobicContact CG-CD2 4.22Å; W64-Y86 WeakPolarHBondContact O-CA 3.34Å; W64-V87 PolarHBondContact O-N 3.43Å; W64-G122 CarbonylContact C-O 3.58Å; W64-G122 VanDerWaalsContact CA-O 3.31Å; W64-G122 WeakPolarHBondContact CA-O 3.43Å
65	I	82.2	Confident	73	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.6	178.4	-50.8	178.8	0	0	0	109.6	L63 L67 V87 L89 F106 I109 C110 V121 G122 I123 L124	L63-I65 HydrophobicContact CD1-CG1 4.31Å; L63-I65 HydrophobicContact CD2-CD1 3.93Å; L63-I65 HydrophobicContact CD2-CG1 3.92Å; L63-I65 HydrophobicContact CG-CD1 4.42Å; L63-I65 HydrophobicContact CG-CG1 3.87Å; I65-L67 HydrophobicContact CG2-CD2 3.6Å; I65-L67 HydrophobicContact CG2-CG 4.42Å; I65-V87 CarbonylContact C-O 3.49Å; I65-V87 VanDerWaalsContact CA-O 3.32Å; I65-V87 WeakPolarHBondContact CA-O 3.35Å; I65-L89 HydrophobicContact CG2-CD1 4.05Å; I65-L89 HydrophobicContact CG2-CG 4.4Å; I65-F106 HydrophobicContact CB-CE2 4.45Å; I65-F106 HydrophobicContact CD1-CD2 3.97Å; I65-F106 HydrophobicContact CD1-CE2 3.66Å; I65-F106 HydrophobicContact CD1-CZ 4.47Å; I65-F106 HydrophobicContact CG2-CD2 4Å; I65-F106 HydrophobicContact CG2-CE2 4.13Å; I65-I109 HydrophobicContact CD1-CG2 3.79Å; I65-I109 HydrophobicContact CG1-CG2 4.28Å; I65-C110 VanDerWaalsContact CD1-SG 3.56Å; I65-V121 HydrophobicContact CD1-CG1 3.7Å; I65-V121 HydrophobicContact CG1-CG1 3.98Å; I65-G122 PolarHBondContact N-O 2.82Å; I65-I123 HydrophobicContact CB-CG2 4.25Å; I65-I123 CarbonylContact O-C 3.6Å; I65-I123 WeakPolarHBondContact O-CA 3.08Å; I65-L124 PolarHBondContact O-N 2.96Å
66	D	83.7	Confident	75.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.6	175.6	-178	-11.5	0	0	0	110.7	T68 Y74 Y86 V87 K88 L89	D66-T68 VanDerWaalsContact OD1-CB 3.31Å; D66-T68 WeakPolarHBondContact OD1-CB 3.34Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.31Å; D66-T68 PolarHBondContact OD1-N 3.23Å; D66-T68 PolarHBondContact OD1-OG1 2.94Å; D66-Y74 WeakPolarHBondContact CB-OH 3.47Å; D66-Y74 PolarHBondContact OD2-OH 3.07Å; D66-Y86 HydrophobicContact CB-CE2 3.71Å; D66-Y86 WeakPolarHBondContact CB-OH 3.46Å; D66-Y86 PolarHBondContact OD2-OH 3.36Å; D66-V87 PolarHBondContact N-O 2.86Å; D66-K88 HydrophobicContact CB-CD 3.81Å; D66-K88 WeakPolarHBondContact O-CA 3.46Å; D66-K88 WeakPolarHBondContact O-CD 3.3Å; D66-K88 IonicContact OD1-NZ 2.66Å; D66-K88 PolarHBondContact OD1-NZ 3.17Å; D66-K88 IonicContact OD2-NZ 2.63Å; D66-K88 PolarHBondContact OD2-NZ 2.93Å; D66-L89 PolarHBondContact O-N 2.94Å
67	L	76.2	Confident	77.5	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.131	24%	0.241	C	C	.	.			trans	-92.3	2.9	179.5	-53.7	-173.9	0	0	0	113.5	I65 L89 C91 F106 I123 L124 F125	I65-L67 HydrophobicContact CG2-CD2 3.6Å; I65-L67 HydrophobicContact CG2-CG 4.42Å; L67-L89 CarbonylContact C-O 3.24Å; L67-L89 VanDerWaalsContact C-O 3.24Å; L67-L89 WeakPolarHBondContact CA-O 3.38Å; L67-L89 HydrophobicContact CD2-CB 3.75Å; L67-L89 HydrophobicContact CD2-CD1 3.83Å; L67-L89 HydrophobicContact CD2-CG 4.28Å; L67-C91 HydrophobicContact CB-CB 4.48Å; L67-C91 WeakPolarHBondContact O-CB 3.23Å; L67-C91 PolarHBondContact O-N 3.2Å; L67-F106 HydrophobicContact CD2-CD2 4.05Å; L67-F106 HydrophobicContact CD2-CE2 4.49Å; L67-I123 HydrophobicContact CD1-CG2 4.03Å; L67-I123 HydrophobicContact CG-CG2 4.11Å; L67-L124 WeakPolarHBondContact CB-O 3.34Å; L67-L124 PolarHBondContact N-O 3.32Å; L67-F125 HydrophobicContact CD1-CB 4.22Å; L67-F125 HydrophobicContact CD1-CD1 3.44Å; L67-F125 VanDerWaalsContact CD1-CD1 3.44Å; L67-F125 HydrophobicContact CD1-CE1 4.26Å; L67-F125 HydrophobicContact CD1-CG 4.22Å; L67-F125 HydrophobicContact CG-CD1 4.44Å
68	T	74.1	Confident	79.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.			trans	-77.2	147.3	-175.4	70.1	0	0	0	0	111	D66 T70 F73 K88 L124 Q126	D66-T68 VanDerWaalsContact OD1-CB 3.31Å; D66-T68 WeakPolarHBondContact OD1-CB 3.34Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.31Å; D66-T68 PolarHBondContact OD1-N 3.23Å; D66-T68 PolarHBondContact OD1-OG1 2.94Å; T68-T70 PolarHBondContact O-N 3.26Å; T68-T70 PolarHBondContact OG1-O 2.71Å; T68-F73 HydrophobicContact CG2-CD2 4.14Å; T68-F73 HydrophobicContact CG2-CE2 3.95Å; T68-K88 WeakPolarHBondContact O-CE 3.34Å; T68-K88 PolarHBondContact O-NZ 3.45Å; T68-K88 PolarHBondContact OG1-NZ 3.38Å; T68-L124 HydrophobicContact CG2-CD2 3.9Å; T68-L124 HydrophobicContact CG2-CG 4.17Å; T68-Q126 HydrophobicContact CG2-CB 4.07Å
69	N	74.9	Confident	80.5	Confident	66 Å²	66	39.9 Å²	39.9	35%	0.353	18%	0.184	S	C	.	.	S	Bend	trans	-79.8	23.5	175.5	-155.1	13.8	0	0	0	113.9	C91	N69-C91 VanDerWaalsContact CB-O 3.27Å; N69-C91 WeakPolarHBondContact CB-O 3.34Å; N69-C91 PolarHBondContact N-O 3.45Å
70	T	72.5	Confident	82	Confident	15 Å²	15	39.4 Å²	39.4	9%	0.092	18%	0.183	C	C	.	.			trans	-150.8	149.8	-173.6	-176.3	0	0	0	0	111	T68 R72 F73 K88	T68-T70 PolarHBondContact O-N 3.26Å; T68-T70 PolarHBondContact OG1-O 2.71Å; T70-R72 HydrophobicContact CG2-CG 3.93Å; T70-R72 WeakPolarHBondContact OG1-CD 3.47Å; T70-R72 VanDerWaalsContact OG1-CG 3.25Å; T70-R72 WeakPolarHBondContact OG1-CG 3.15Å; T70-R72 PolarHBondContact OG1-N 2.78Å; T70-F73 HydrophobicContact CG2-CD2 3.77Å; T70-F73 HydrophobicContact CG2-CE1 4.28Å; T70-F73 HydrophobicContact CG2-CE2 3.22Å; T70-F73 HydrophobicContact CG2-CZ 3.52Å; T70-K88 PolarHBondContact O-NZ 3.41Å
71	R	83.2	Confident	83	Confident	170 Å²	170	40.5 Å²	40.5	64%	0.642	19%	0.192	S	C	*	.	S	Bend	trans	-104.5	11.9	175.8	-62.2	-176.9	178.6	-167.9	-1.9	112.6
72	R	80.8	Confident	83.6	Confident	23 Å²	23	42.5 Å²	42.5	9%	0.087	21%	0.211	C	C	.	.			trans	-78.1	-22.4	-171	72.4	-169.6	175.6	154.3	-2.7	114.2	L13 G14 Y34 T70	L13-R72 WeakPolarHBondContact O-CD 3.32Å; L13-R72 PolarHBondContact O-NH1 2.98Å; G14-R72 PolarHBondContact O-NH1 2.68Å; Y34-R72 WeakPolarHBondContact CE2-O 3.42Å; Y34-R72 PolarHBondContact OH-O 2.79Å; T70-R72 HydrophobicContact CG2-CG 3.93Å; T70-R72 WeakPolarHBondContact OG1-CD 3.47Å; T70-R72 VanDerWaalsContact OG1-CG 3.25Å; T70-R72 WeakPolarHBondContact OG1-CG 3.15Å; T70-R72 PolarHBondContact OG1-N 2.78Å
73	F	82.7	Confident	84.1	Confident	2 Å²	2	45 Å²	45	1%	0.009	24%	0.236	C	C	.	.	S	Bend	trans	-73.3	-39	-164.8	-62.4	-45.7	0	0	0	113.4	P16 W19 T28 L30 G31 Y34 T68 T70	P16-F73 HydrophobicContact CG-CE1 4.38Å; W19-F73 HydrophobicContact CE3-CD1 4.44Å; W19-F73 HydrophobicContact CE3-CE1 4.33Å; W19-F73 HydrophobicContact CH2-CD1 4.24Å; W19-F73 HydrophobicContact CH2-CD2 4.25Å; W19-F73 AromaticContact CH2-CE1 3.84Å; W19-F73 HydrophobicContact CH2-CE1 3.84Å; W19-F73 AromaticContact CH2-CE2 3.82Å; W19-F73 HydrophobicContact CH2-CE2 3.82Å; W19-F73 HydrophobicContact CH2-CG 4.44Å; W19-F73 AromaticContact CH2-CZ 3.6Å; W19-F73 HydrophobicContact CH2-CZ 3.6Å; W19-F73 AromaticContact CZ3-CD1 3.56Å; W19-F73 HydrophobicContact CZ3-CD1 3.56Å; W19-F73 HydrophobicContact CZ3-CD2 4.23Å; W19-F73 AromaticContact CZ3-CE1 3.46Å; W19-F73 HydrophobicContact CZ3-CE1 3.46Å; W19-F73 VanDerWaalsContact CZ3-CE1 3.46Å; W19-F73 HydrophobicContact CZ3-CE2 4.11Å; W19-F73 AromaticContact CZ3-CG 3.96Å; W19-F73 HydrophobicContact CZ3-CG 3.96Å; W19-F73 AromaticContact CZ3-CZ 3.74Å; W19-F73 HydrophobicContact CZ3-CZ 3.74Å; T28-F73 HydrophobicContact CG2-CB 4.03Å; T28-F73 HydrophobicContact CG2-CD2 3.94Å; T28-F73 HydrophobicContact CG2-CG 4.02Å; L30-F73 CarbonylContact C-O 3.52Å; L30-F73 VanDerWaalsContact CA-O 3.31Å; L30-F73 WeakPolarHBondContact CA-O 3.31Å; L30-F73 HydrophobicContact CD2-CB 4.14Å; L30-F73 HydrophobicContact CD2-CD1 4Å; L30-F73 HydrophobicContact CD2-CG 4.45Å; G31-F73 PolarHBondContact N-O 2.8Å; Y34-F73 WeakPolarHBondContact CE2-O 3.37Å; T68-F73 HydrophobicContact CG2-CD2 4.14Å; T68-F73 HydrophobicContact CG2-CE2 3.95Å; T70-F73 HydrophobicContact CG2-CD2 3.77Å; T70-F73 HydrophobicContact CG2-CE1 4.28Å; T70-F73 HydrophobicContact CG2-CE2 3.22Å; T70-F73 HydrophobicContact CG2-CZ 3.52Å
74	Y	87.5	Confident	84.4	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.035	24%	0.239	C	C	.	.	S	Bend	trans	-154.1	167.9	179	50.8	-86.6	0	0	0	109.1	T28 P29 P46 W64 D66 I79 Y86 L124	T28-Y74 HydrophobicContact CG2-CE1 4.49Å; P29-Y74 WeakPolarHBondContact O-CD1 3.45Å; P46-Y74 VanDerWaalsContact CG-CB 3.44Å; P46-Y74 HydrophobicContact CG-CD2 4Å; P46-Y74 HydrophobicContact CG-CG 3.77Å; W64-Y74 AromaticContact NE1-CZ 3.78Å; W64-Y74 PolarHBondContact NE1-OH 2.97Å; D66-Y74 WeakPolarHBondContact CB-OH 3.47Å; D66-Y74 PolarHBondContact OD2-OH 3.07Å; Y74-I79 HydrophobicContact CD2-CG1 4.49Å; Y74-I79 HydrophobicContact CE2-CG1 4.28Å; Y74-Y86 AromaticContact CE2-CE2 3.97Å; Y74-Y86 HydrophobicContact CE2-CE2 3.97Å; Y74-L124 HydrophobicContact CE1-CD2 3.3Å; Y74-L124 WeakPolarHBondContact OH-CD2 3.4Å
75	D	87.5	Confident	84.7	Confident	67 Å²	67	48.4 Å²	48.4	36%	0.358	25%	0.253	S	S	.	.			trans	-82.1	133.5	172	-149.4	-39.6	0	0	0	110.3	E77 E78	D75-E77 PolarHBondContact O-N 2.66Å; D75-E77 PolarHBondContact OD1-N 3Å; D75-E77 VanDerWaalsContact OD1-N 3.11Å; D75-E78 PolarHBondContact O-N 3.29Å
76	K	90.5	Very high	85.1	Confident	68 Å²	68	50 Å²	50	30%	0.296	26%	0.26	S	S	.	.	S	Bend	trans	-71.3	-25.4	175.8	70.4	178.9	-166.7	74	0	111.4	E78 I79 E80 Y86	K76-E78 PolarHBondContact O-N 2.79Å; K76-I79 WeakPolarHBondContact O-CB 3.4Å; K76-I79 PolarHBondContact O-N 2.99Å; K76-E80 IonicContact NZ-OE1 2.88Å; K76-E80 PolarHBondContact NZ-OE1 2.89Å; K76-E80 IonicContact NZ-OE2 2.69Å; K76-E80 PolarHBondContact NZ-OE2 2.92Å; K76-E80 PolarHBondContact O-N 2.85Å; K76-Y86 HydrophobicContact CB-CD1 3.97Å; K76-Y86 HydrophobicContact CB-CD2 4.32Å; K76-Y86 HydrophobicContact CB-CE1 3.83Å; K76-Y86 HydrophobicContact CB-CE2 4.2Å; K76-Y86 HydrophobicContact CB-CG 4.2Å; K76-Y86 HydrophobicContact CD-CD1 4.21Å; K76-Y86 HydrophobicContact CD-CE1 4.09Å
77	E	90.3	Very high	85.4	Confident	111 Å²	111	51.2 Å²	51.2	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-36.5	177.5	-67.3	172.5	-171.5	0	0	110.4	D75 I79 E80 D81	D75-E77 PolarHBondContact O-N 2.66Å; D75-E77 PolarHBondContact OD1-N 3Å; D75-E77 VanDerWaalsContact OD1-N 3.11Å; E77-I79 PolarHBondContact O-N 2.78Å; E77-I79 VanDerWaalsContact O-N 3.13Å; E77-E80 PolarHBondContact O-N 2.77Å; E77-D81 WeakPolarHBondContact O-CB 3.47Å; E77-D81 PolarHBondContact O-N 2.68Å
78	E	89	Confident	86.1	Confident	40 Å²	40	51.7 Å²	51.7	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-27.3	174.7	-168.4	-177.5	163.5	0	0	113.1	P46 S47 D75 K76	P46-E78 HydrophobicContact CB-CG 4.22Å; P46-E78 WeakPolarHBondContact CD-OE1 3.5Å; P46-E78 WeakPolarHBondContact CD-OE2 3.45Å; P46-E78 WeakPolarHBondContact CG-OE2 3.3Å; S47-E78 WeakPolarHBondContact CB-OE1 3.42Å; S47-E78 PolarHBondContact N-OE1 2.84Å; S47-E78 PolarHBondContact OG-OE1 2.79Å; D75-E78 PolarHBondContact O-N 3.29Å; K76-E78 PolarHBondContact O-N 2.79Å
79	I	88.1	Confident	86.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-83.6	-47.3	175.7	-57.1	-58.3	0	0	0	111.1	P46 L50 W64 Y74 K76 E77 A82 V84 Y86	P46-I79 HydrophobicContact CB-CD1 3.48Å; P46-I79 VanDerWaalsContact CB-CD1 3.48Å; P46-I79 HydrophobicContact CB-CG1 4.43Å; L50-I79 HydrophobicContact CD1-CD1 3.66Å; L50-I79 HydrophobicContact CD2-CD1 4.42Å; L50-I79 HydrophobicContact CG-CD1 4.17Å; W64-I79 HydrophobicContact CB-CG2 3.68Å; W64-I79 HydrophobicContact CD2-CD1 3.72Å; W64-I79 HydrophobicContact CD2-CG1 4.15Å; W64-I79 HydrophobicContact CD2-CG2 4.23Å; W64-I79 HydrophobicContact CE3-CD1 3.43Å; W64-I79 VanDerWaalsContact CE3-CD1 3.43Å; W64-I79 HydrophobicContact CE3-CG1 4.3Å; W64-I79 HydrophobicContact CE3-CG2 4.25Å; W64-I79 HydrophobicContact CG-CD1 4.47Å; W64-I79 HydrophobicContact CG-CG1 4.43Å; W64-I79 HydrophobicContact CG-CG2 4.03Å; W64-I79 HydrophobicContact CH2-CD1 3.8Å; W64-I79 HydrophobicContact CZ2-CD1 4.08Å; W64-I79 HydrophobicContact CZ3-CD1 3.48Å; W64-I79 VanDerWaalsContact CZ3-CD1 3.48Å; Y74-I79 HydrophobicContact CD2-CG1 4.49Å; Y74-I79 HydrophobicContact CE2-CG1 4.28Å; K76-I79 WeakPolarHBondContact O-CB 3.4Å; K76-I79 PolarHBondContact O-N 2.99Å; E77-I79 PolarHBondContact O-N 2.78Å; E77-I79 VanDerWaalsContact O-N 3.13Å; I79-A82 PolarHBondContact O-N 3.47Å; I79-V84 HydrophobicContact CG2-CB 3.77Å; I79-V84 HydrophobicContact CG2-CG1 3.83Å; I79-V84 WeakPolarHBondContact O-CB 3.46Å; I79-V84 PolarHBondContact O-N 2.78Å; I79-Y86 HydrophobicContact CB-CD2 4.36Å; I79-Y86 HydrophobicContact CG1-CD2 4.39Å; I79-Y86 HydrophobicContact CG2-CD2 4.25Å
80	E	91	Very high	86.9	Confident	77 Å²	77	52.5 Å²	52.5	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-40.7	-177.9	-68.2	168.4	158.1	0	0	111	K76 E77 A82 G83	K76-E80 IonicContact NZ-OE1 2.88Å; K76-E80 PolarHBondContact NZ-OE1 2.89Å; K76-E80 IonicContact NZ-OE2 2.69Å; K76-E80 PolarHBondContact NZ-OE2 2.92Å; K76-E80 PolarHBondContact O-N 2.85Å; E77-E80 PolarHBondContact O-N 2.77Å; E80-A82 PolarHBondContact O-N 2.77Å; E80-G83 PolarHBondContact O-N 2.82Å
81	D	90.6	Very high	86.7	Confident	142 Å²	142	52.4 Å²	52.4	76%	0.759	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.8	176.6	-71.1	-15.4	0	0	0	112.9	E77 G83	E77-D81 WeakPolarHBondContact O-CB 3.47Å; E77-D81 PolarHBondContact O-N 2.68Å; D81-G83 PolarHBondContact O-N 3.35Å
82	A	86.8	Confident	85.6	Confident	56 Å²	56	50 Å²	50	46%	0.463	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	6.6	173.5	0	0	0	0	0	113.1	L50 I79 E80 V84	L50-A82 HydrophobicContact CD1-CB 3.56Å; I79-A82 PolarHBondContact O-N 3.47Å; E80-A82 PolarHBondContact O-N 2.77Å; A82-V84 VanDerWaalsContact C-N 3.32Å; A82-V84 HydrophobicContact CB-CG2 4.41Å
83	G	89.3	Confident	84.3	Confident	60 Å²	60	49.8 Å²	49.8	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	21.3	-179.3	0	0	0	0	0	113.8	E80 D81	E80-G83 PolarHBondContact O-N 2.82Å; D81-G83 PolarHBondContact O-N 3.35Å
84	V	87	Confident	82.9	Confident	8 Å²	8	59 Å²	59	5%	0.048	31%	0.307	C	S	.	.			trans	-103.8	130.9	180	-178.6	0	0	0	0	109.9	L50 I61 W64 I79 A82 Y86	L50-V84 HydrophobicContact CD2-CB 4.32Å; L50-V84 HydrophobicContact CD2-CG1 4.5Å; L50-V84 HydrophobicContact CD2-CG2 3.58Å; I61-V84 HydrophobicContact CG2-CG1 3.88Å; I61-V84 WeakPolarHBondContact O-CG2 3.27Å; W64-V84 HydrophobicContact CB-CG1 3.98Å; I79-V84 HydrophobicContact CG2-CB 3.77Å; I79-V84 HydrophobicContact CG2-CG1 3.83Å; I79-V84 WeakPolarHBondContact O-CB 3.46Å; I79-V84 PolarHBondContact O-N 2.78Å; A82-V84 VanDerWaalsContact C-N 3.32Å; A82-V84 HydrophobicContact CB-CG2 4.41Å; V84-Y86 PolarHBondContact O-N 3.5Å
85	E	90.2	Very high	80.8	Confident	74 Å²	74	62.9 Å²	62.9	35%	0.346	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.2	175.7	-176.3	172.2	136.9	0	0	110.6	G62 L63 W64 V87 R116	G62-E85 PolarHBondContact O-N 2.91Å; L63-E85 CarbonylContact C-O 3.48Å; L63-E85 WeakPolarHBondContact CA-O 3.43Å; L63-E85 HydrophobicContact CD1-CB 3.92Å; L63-E85 HydrophobicContact CD1-CG 3.82Å; W64-E85 PolarHBondContact N-O 2.71Å; E85-V87 HydrophobicContact CG-CG2 4.43Å; E85-R116 IonicContact OE1-CZ 2.84Å; E85-R116 IonicContact OE1-NH2 3.26Å; E85-R116 PolarHBondContact OE1-NH2 3.3Å; E85-R116 IonicContact OE2-CZ 2.8Å; E85-R116 IonicContact OE2-NH1 3.95Å; E85-R116 PolarHBondContact OE2-NH1 2.84Å; E85-R116 IonicContact OE2-NH2 2.92Å; E85-R116 PolarHBondContact OE2-NH2 2.85Å
86	Y	92.2	Very high	78.8	Confident	34 Å²	34	64.7 Å²	64.7	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.5	179.5	179.1	-92.9	0	0	0	111.2	W64 D66 Y74 K76 I79 V84 K88	W64-Y86 HydrophobicContact CB-CD2 4.27Å; W64-Y86 AromaticContact CD1-CD2 3.85Å; W64-Y86 AromaticContact CD1-CE2 3.89Å; W64-Y86 HydrophobicContact CG-CD2 4.22Å; W64-Y86 WeakPolarHBondContact O-CA 3.34Å; D66-Y86 HydrophobicContact CB-CE2 3.71Å; D66-Y86 WeakPolarHBondContact CB-OH 3.46Å; D66-Y86 PolarHBondContact OD2-OH 3.36Å; Y74-Y86 AromaticContact CE2-CE2 3.97Å; Y74-Y86 HydrophobicContact CE2-CE2 3.97Å; K76-Y86 HydrophobicContact CB-CD1 3.97Å; K76-Y86 HydrophobicContact CB-CD2 4.32Å; K76-Y86 HydrophobicContact CB-CE1 3.83Å; K76-Y86 HydrophobicContact CB-CE2 4.2Å; K76-Y86 HydrophobicContact CB-CG 4.2Å; K76-Y86 HydrophobicContact CD-CD1 4.21Å; K76-Y86 HydrophobicContact CD-CE1 4.09Å; I79-Y86 HydrophobicContact CB-CD2 4.36Å; I79-Y86 HydrophobicContact CG1-CD2 4.39Å; I79-Y86 HydrophobicContact CG2-CD2 4.25Å; V84-Y86 PolarHBondContact O-N 3.5Å; Y86-K88 HydrophobicContact CE1-CB 3.97Å
87	V	90.1	Very high	76.5	Confident	28 Å²	28	64.2 Å²	64.2	17%	0.17	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.5	176.4	-180	0	0	0	0	110.3	L63 W64 I65 D66 E85 L89 I109	L63-V87 HydrophobicContact CD1-CB 4.38Å; L63-V87 HydrophobicContact CD1-CG2 3.69Å; W64-V87 PolarHBondContact O-N 3.43Å; I65-V87 CarbonylContact C-O 3.49Å; I65-V87 VanDerWaalsContact CA-O 3.32Å; I65-V87 WeakPolarHBondContact CA-O 3.35Å; D66-V87 PolarHBondContact N-O 2.86Å; E85-V87 HydrophobicContact CG-CG2 4.43Å; V87-L89 HydrophobicContact CG1-CG 4.46Å; V87-I109 HydrophobicContact CG1-CD1 3.55Å; V87-I109 HydrophobicContact CG1-CG1 4.34Å; V87-I109 HydrophobicContact CG1-CG2 4.47Å; V87-I109 HydrophobicContact CG2-CG2 4.3Å
88	K	89.7	Confident	75	Confident	35 Å²	35	60.4 Å²	60.4	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.2	176.2	-174.3	69	167.7	179.7	0	110.6	D66 T68 T70 Y86 N90	D66-K88 HydrophobicContact CB-CD 3.81Å; D66-K88 WeakPolarHBondContact O-CA 3.46Å; D66-K88 WeakPolarHBondContact O-CD 3.3Å; D66-K88 IonicContact OD1-NZ 2.66Å; D66-K88 PolarHBondContact OD1-NZ 3.17Å; D66-K88 IonicContact OD2-NZ 2.63Å; D66-K88 PolarHBondContact OD2-NZ 2.93Å; T68-K88 WeakPolarHBondContact O-CE 3.34Å; T68-K88 PolarHBondContact O-NZ 3.45Å; T68-K88 PolarHBondContact OG1-NZ 3.38Å; T70-K88 PolarHBondContact O-NZ 3.41Å; Y86-K88 HydrophobicContact CE1-CB 3.97Å; K88-N90 VanDerWaalsContact CE-OD1 3.25Å; K88-N90 WeakPolarHBondContact CE-OD1 3.38Å; K88-N90 VanDerWaalsContact CG-OD1 3.27Å; K88-N90 WeakPolarHBondContact CG-OD1 3.36Å
89	L	83.6	Confident	73.8	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	35%	0.353	C	S	.	.			trans	-111.6	108.5	166.5	-62.5	174.8	0	0	0	107.9	I65 D66 L67 V87 C91 Q105 F106 I109	I65-L89 HydrophobicContact CG2-CD1 4.05Å; I65-L89 HydrophobicContact CG2-CG 4.4Å; D66-L89 PolarHBondContact O-N 2.94Å; L67-L89 CarbonylContact C-O 3.24Å; L67-L89 VanDerWaalsContact C-O 3.24Å; L67-L89 WeakPolarHBondContact CA-O 3.38Å; L67-L89 HydrophobicContact CD2-CB 3.75Å; L67-L89 HydrophobicContact CD2-CD1 3.83Å; L67-L89 HydrophobicContact CD2-CG 4.28Å; V87-L89 HydrophobicContact CG1-CG 4.46Å; L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 2.86Å; L89-Q105 HydrophobicContact CD2-CB 4.04Å; L89-F106 HydrophobicContact CD1-CB 3.65Å; L89-F106 HydrophobicContact CD1-CD2 4.03Å; L89-F106 HydrophobicContact CD1-CG 4.36Å; L89-I109 HydrophobicContact CD1-CD1 3.92Å; L89-I109 HydrophobicContact CD2-CD1 3.87Å; L89-I109 HydrophobicContact CG-CD1 4.15Å
90	N	82.1	Confident	72.6	Confident	74 Å²	74	64.4 Å²	64.4	40%	0.396	37%	0.37	S	S	.	.			trans	-74.5	74.8	-173.2	-66.6	-42.3	0	0	0	111.8	K88 Q102	K88-N90 VanDerWaalsContact CE-OD1 3.25Å; K88-N90 WeakPolarHBondContact CE-OD1 3.38Å; K88-N90 VanDerWaalsContact CG-OD1 3.27Å; K88-N90 WeakPolarHBondContact CG-OD1 3.36Å; N90-Q102 PolarHBondContact O-NE2 3.12Å
91	C	68.3	Low	71.8	Confident	12 Å²	12	66.5 Å²	66.5	8%	0.081	38%	0.38	C	S	.	.			trans	-78.6	127.8	176.6	-52.1	0	0	0	0	109.1	L67 N69 L89 P98	L67-C91 HydrophobicContact CB-CB 4.48Å; L67-C91 WeakPolarHBondContact O-CB 3.23Å; L67-C91 PolarHBondContact O-N 3.2Å; N69-C91 VanDerWaalsContact CB-O 3.27Å; N69-C91 WeakPolarHBondContact CB-O 3.34Å; N69-C91 PolarHBondContact N-O 3.45Å; L89-C91 VanDerWaalsContact C-N 3.27Å; L89-C91 PolarHBondContact O-N 2.86Å; C91-P98 HydrophobicContact CB-CB 4.28Å; C91-P98 HydrophobicContact CB-CG 3.96Å
92	K	61.1	Low	70.8	Confident	120 Å²	120	61.6 Å²	61.6	52%	0.522	35%	0.352	S	S	.	.			trans	-62.2	145.5	177.7	-56.4	-173.8	-174.9	174.6	0	110.4	E96	K92-E96 HydrophobicContact CB-CB 4Å; K92-E96 WeakPolarHBondContact CB-OE2 3.49Å; K92-E96 WeakPolarHBondContact CD-OE2 3.27Å
93	G	52.8	Low	69.7	Low	19 Å²	19	59.4 Å²	59.4	20%	0.196	33%	0.333	C	S	.	.			trans	-94.1	-174	177.3	0	0	0	0	0	112.2
94	Y	53	Low	68.7	Low	195 Å²	195	60.2 Å²	60.2	77%	0.765	32%	0.321	S	S	*	.	S	Bend	trans	62.2	57.3	171.3	-60	-85.3	0	0	0	115.7	E96	Y94-E96 VanDerWaalsContact C-N 3.26Å; Y94-E96 PolarHBondContact O-N 3.43Å
95	G	44	Very low	68.2	Low	90 Å²	90	64.6 Å²	64.6	93%	0.928	34%	0.34	S	S	*	.	S	Bend	trans	82.3	0.8	172.8	0	0	0	0	0	114.6
96	E	44.5	Very low	67.4	Low	106 Å²	106	63.1 Å²	63.1	50%	0.495	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-92	133.1	169.6	-62.2	-176.8	137.4	0	0	109.7	K92 Y94	K92-E96 HydrophobicContact CB-CB 4Å; K92-E96 WeakPolarHBondContact CB-OE2 3.49Å; K92-E96 WeakPolarHBondContact CD-OE2 3.27Å; Y94-E96 VanDerWaalsContact C-N 3.26Å; Y94-E96 PolarHBondContact O-N 3.43Å
97	C	43.8	Very low	66.3	Low	57 Å²	57	62.7 Å²	62.7	39%	0.385	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-86.1	158.5	172	61.7	0	0	0	0	110.6	S149	C97-S149 VanDerWaalsContact SG-CB 3.56Å
98	P	57.3	Low	65.7	Low	31 Å²	31	64.8 Å²	64.8	20%	0.201	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-54.9	146	168.9	-21.2	31.7	0	0	0	111.5	C91 Q102 V103 I152	C91-P98 HydrophobicContact CB-CB 4.28Å; C91-P98 HydrophobicContact CB-CG 3.96Å; P98-Q102 VanDerWaalsContact CA-OE1 3.27Å; P98-Q102 HydrophobicContact CB-CB 4.07Å; P98-V103 HydrophobicContact CB-CG2 4Å; P98-I152 HydrophobicContact CB-CD1 4.5Å; P98-I152 HydrophobicContact CG-CD1 4.15Å
99	S	64.7	Low	65.1	Low	48 Å²	48	64.7 Å²	64.7	34%	0.336	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.4	158.7	174.2	85	0	0	0	0	111	E101 Q102 V103	S99-E101 VanDerWaalsContact CB-OE2 3.25Å; S99-E101 WeakPolarHBondContact CB-OE2 3.25Å; S99-E101 PolarHBondContact O-N 3.44Å; S99-E101 PolarHBondContact OG-N 3.46Å; S99-E101 PolarHBondContact OG-OE2 3.49Å; S99-Q102 WeakPolarHBondContact O-CB 3.5Å; S99-Q102 PolarHBondContact O-N 3.36Å; S99-Q102 WeakPolarHBondContact OG-CG 3.08Å; S99-Q102 PolarHBondContact OG-N 3.33Å; S99-V103 VanDerWaalsContact O-CG2 3.26Å; S99-V103 WeakPolarHBondContact O-CG2 3.45Å; S99-V103 PolarHBondContact O-N 3.01Å
100	E	61.5	Low	64.5	Low	77 Å²	77	64.5 Å²	64.5	36%	0.36	34%	0.343	S	S	.	.	H	α-helix	trans	-54.8	-38	178	-178.1	173	-167.6	0	0	112.6	Q102 V103 Q104 R151	E100-Q102 PolarHBondContact O-N 2.96Å; E100-V103 WeakPolarHBondContact O-CB 2.9Å; E100-V103 PolarHBondContact O-N 3.01Å; E100-Q104 WeakPolarHBondContact O-CB 3.46Å; E100-Q104 PolarHBondContact O-N 2.99Å; E100-R151 WeakPolarHBondContact OE1-CD 3.49Å; E100-R151 IonicContact OE1-CZ 2.78Å; E100-R151 IonicContact OE1-NE 3.47Å; E100-R151 IonicContact OE1-NH1 3.35Å; E100-R151 PolarHBondContact OE1-NH1 2.89Å; E100-R151 WeakPolarHBondContact OE2-CD 3.2Å; E100-R151 IonicContact OE2-CZ 3.66Å; E100-R151 VanDerWaalsContact OE2-CZ 3.29Å; E100-R151 IonicContact OE2-NE 2.82Å; E100-R151 IonicContact OE2-NH1 3.95Å; E100-R151 PolarHBondContact OE2-NH1 3.16Å
101	E	74.2	Confident	64	Low	121 Å²	121	65.1 Å²	65.1	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-63.5	-42.9	176.1	-57.4	76.8	-166.3	0	0	111.4	S99 V103 Q104 Q105	S99-E101 VanDerWaalsContact CB-OE2 3.25Å; S99-E101 WeakPolarHBondContact CB-OE2 3.25Å; S99-E101 PolarHBondContact O-N 3.44Å; S99-E101 PolarHBondContact OG-N 3.46Å; S99-E101 PolarHBondContact OG-OE2 3.49Å; E101-V103 VanDerWaalsContact C-N 3.28Å; E101-V103 PolarHBondContact O-N 3.35Å; E101-Q104 PolarHBondContact O-N 3.37Å; E101-Q105 WeakPolarHBondContact O-CB 3.33Å; E101-Q105 WeakPolarHBondContact O-CG 3.35Å; E101-Q105 PolarHBondContact O-N 3.15Å
102	Q	70	Confident	64.5	Low	39 Å²	39	69 Å²	69	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-36.8	177.3	-66.3	-180	-40.4	0	0	111.8	N90 P98 S99 E100 F106	N90-Q102 PolarHBondContact O-NE2 3.12Å; P98-Q102 VanDerWaalsContact CA-OE1 3.27Å; P98-Q102 HydrophobicContact CB-CB 4.07Å; S99-Q102 WeakPolarHBondContact O-CB 3.5Å; S99-Q102 PolarHBondContact O-N 3.36Å; S99-Q102 WeakPolarHBondContact OG-CG 3.08Å; S99-Q102 PolarHBondContact OG-N 3.33Å; E100-Q102 PolarHBondContact O-N 2.96Å; Q102-F106 WeakPolarHBondContact O-CB 3.43Å; Q102-F106 PolarHBondContact O-N 3.41Å
103	V	64	Low	65.2	Low	9 Å²	9	63.4 Å²	63.4	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-48.1	176.5	171.1	0	0	0	0	110.9	P98 S99 E100 E101 Q105 F106 I107 I152	P98-V103 HydrophobicContact CB-CG2 4Å; S99-V103 VanDerWaalsContact O-CG2 3.26Å; S99-V103 WeakPolarHBondContact O-CG2 3.45Å; S99-V103 PolarHBondContact O-N 3.01Å; E100-V103 WeakPolarHBondContact O-CB 2.9Å; E100-V103 PolarHBondContact O-N 3.01Å; E101-V103 VanDerWaalsContact C-N 3.28Å; E101-V103 PolarHBondContact O-N 3.35Å; V103-Q105 VanDerWaalsContact C-N 3.29Å; V103-Q105 PolarHBondContact O-N 2.91Å; V103-F106 WeakPolarHBondContact O-CB 3.41Å; V103-F106 PolarHBondContact O-N 2.67Å; V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.5Å; V103-I107 PolarHBondContact O-N 3.39Å; V103-I152 HydrophobicContact CB-CG1 3.9Å; V103-I152 HydrophobicContact CG1-CB 4.13Å; V103-I152 HydrophobicContact CG1-CG1 3.49Å; V103-I152 VanDerWaalsContact CG1-CG1 3.49Å; V103-I152 HydrophobicContact CG2-CB 4.49Å; V103-I152 HydrophobicContact CG2-CD1 3.5Å; V103-I152 HydrophobicContact CG2-CG1 3.11Å
104	Q	68.3	Low	66.1	Low	78 Å²	78	65.3 Å²	65.3	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.7	-170.3	59	55.8	0	0	111.1	E100 E101 I107 N108	E100-Q104 WeakPolarHBondContact O-CB 3.46Å; E100-Q104 PolarHBondContact O-N 2.99Å; E101-Q104 PolarHBondContact O-N 3.37Å; Q104-I107 PolarHBondContact O-N 3.39Å; Q104-N108 PolarHBondContact NE2-OD1 2.98Å; Q104-N108 WeakPolarHBondContact O-CB 3.01Å; Q104-N108 PolarHBondContact O-N 3.13Å; Q104-N108 PolarHBondContact O-ND2 3.46Å; Q104-N108 PolarHBondContact O-OD1 2.92Å
105	Q	76.2	Confident	67.2	Low	99 Å²	99	64.5 Å²	64.5	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-50.9	171.9	-77.4	173.8	-4.1	0	0	111.2	L89 E101 V103 I107 N108 I109	L89-Q105 HydrophobicContact CD2-CB 4.04Å; E101-Q105 WeakPolarHBondContact O-CB 3.33Å; E101-Q105 WeakPolarHBondContact O-CG 3.35Å; E101-Q105 PolarHBondContact O-N 3.15Å; V103-Q105 VanDerWaalsContact C-N 3.29Å; V103-Q105 PolarHBondContact O-N 2.91Å; Q105-I107 VanDerWaalsContact C-N 3.33Å; Q105-I107 PolarHBondContact O-N 2.92Å; Q105-N108 PolarHBondContact O-N 2.99Å; Q105-I109 WeakPolarHBondContact O-CB 3.18Å; Q105-I109 VanDerWaalsContact O-CD1 3.3Å; Q105-I109 WeakPolarHBondContact O-CD1 3.26Å; Q105-I109 VanDerWaalsContact O-CG1 3.22Å; Q105-I109 WeakPolarHBondContact O-CG1 3.25Å; Q105-I109 PolarHBondContact O-N 3.39Å
106	F	74.1	Confident	69.2	Low	43 Å²	43	66.7 Å²	66.7	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-54.5	-48.4	177	176.5	-93.1	0	0	0	112.1	I65 L67 L89 Q102 V103 N108 I109 C110 I123	I65-F106 HydrophobicContact CB-CE2 4.45Å; I65-F106 HydrophobicContact CD1-CD2 3.97Å; I65-F106 HydrophobicContact CD1-CE2 3.66Å; I65-F106 HydrophobicContact CD1-CZ 4.47Å; I65-F106 HydrophobicContact CG2-CD2 4Å; I65-F106 HydrophobicContact CG2-CE2 4.13Å; L67-F106 HydrophobicContact CD2-CD2 4.05Å; L67-F106 HydrophobicContact CD2-CE2 4.49Å; L89-F106 HydrophobicContact CD1-CB 3.65Å; L89-F106 HydrophobicContact CD1-CD2 4.03Å; L89-F106 HydrophobicContact CD1-CG 4.36Å; Q102-F106 WeakPolarHBondContact O-CB 3.43Å; Q102-F106 PolarHBondContact O-N 3.41Å; V103-F106 WeakPolarHBondContact O-CB 3.41Å; V103-F106 PolarHBondContact O-N 2.67Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.16Å; F106-I109 PolarHBondContact O-N 3.4Å; F106-C110 PolarHBondContact O-N 3.34Å; F106-C110 PolarHBondContact O-SG 2.87Å; F106-C110 VanDerWaalsContact O-SG 3.37Å; F106-I123 HydrophobicContact CE2-CD1 4.05Å; F106-I123 HydrophobicContact CE2-CG1 4.2Å; F106-I123 HydrophobicContact CE2-CG2 4.01Å; F106-I123 HydrophobicContact CZ-CD1 3.63Å; F106-I123 HydrophobicContact CZ-CG1 4.28Å
107	I	69.3	Low	70.6	Confident	26 Å²	26	63 Å²	63	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-45	178.6	-68.3	167.7	0	0	0	110.7	V103 Q104 Q105 C110 K111 C155	V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.5Å; V103-I107 PolarHBondContact O-N 3.39Å; Q104-I107 PolarHBondContact O-N 3.39Å; Q105-I107 VanDerWaalsContact C-N 3.33Å; Q105-I107 PolarHBondContact O-N 2.92Å; I107-C110 PolarHBondContact O-N 2.93Å; I107-K111 HydrophobicContact CG2-CD 3.92Å; I107-K111 HydrophobicContact CG2-CG 4.39Å; I107-K111 WeakPolarHBondContact O-CB 3.46Å; I107-K111 WeakPolarHBondContact O-CG 3.47Å; I107-K111 PolarHBondContact O-N 3.32Å; I107-C155 HydrophobicContact CD1-CB 4.32Å
108	N	76.7	Confident	72.1	Confident	71 Å²	71	67.9 Å²	67.9	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-41.3	-179.9	-70.1	-11.5	0	0	0	111.8	Q104 Q105 F106 K111 N112	Q104-N108 PolarHBondContact NE2-OD1 2.98Å; Q104-N108 WeakPolarHBondContact O-CB 3.01Å; Q104-N108 PolarHBondContact O-N 3.13Å; Q104-N108 PolarHBondContact O-ND2 3.46Å; Q104-N108 PolarHBondContact O-OD1 2.92Å; Q105-N108 PolarHBondContact O-N 2.99Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.16Å; N108-K111 PolarHBondContact O-N 3.01Å; N108-N112 VanDerWaalsContact O-CB 3.29Å; N108-N112 WeakPolarHBondContact O-CB 3.35Å; N108-N112 PolarHBondContact O-N 2.85Å; N108-N112 PolarHBondContact O-ND2 3.44Å
109	I	77.3	Confident	72.8	Confident	34 Å²	34	70.3 Å²	70.3	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-52	175.7	-71.4	155.9	0	0	0	110.2	L63 I65 V87 L89 Q105 F106 K111 N112 F113	L63-I109 HydrophobicContact CD2-CG2 3.77Å; I65-I109 HydrophobicContact CD1-CG2 3.79Å; I65-I109 HydrophobicContact CG1-CG2 4.28Å; V87-I109 HydrophobicContact CG1-CD1 3.55Å; V87-I109 HydrophobicContact CG1-CG1 4.34Å; V87-I109 HydrophobicContact CG1-CG2 4.47Å; V87-I109 HydrophobicContact CG2-CG2 4.3Å; L89-I109 HydrophobicContact CD1-CD1 3.92Å; L89-I109 HydrophobicContact CD2-CD1 3.87Å; L89-I109 HydrophobicContact CG-CD1 4.15Å; Q105-I109 WeakPolarHBondContact O-CB 3.18Å; Q105-I109 VanDerWaalsContact O-CD1 3.3Å; Q105-I109 WeakPolarHBondContact O-CD1 3.26Å; Q105-I109 VanDerWaalsContact O-CG1 3.22Å; Q105-I109 WeakPolarHBondContact O-CG1 3.25Å; Q105-I109 PolarHBondContact O-N 3.39Å; F106-I109 PolarHBondContact O-N 3.4Å; I109-K111 PolarHBondContact O-N 2.85Å; I109-N112 PolarHBondContact O-N 3.01Å; I109-F113 WeakPolarHBondContact O-CB 3.44Å; I109-F113 PolarHBondContact O-N 2.76Å
110	C	71.5	Confident	73	Confident	5 Å²	5	69 Å²	69	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-48	178.5	-70.1	0	0	0	0	111.7	I65 F106 I107 N112 F113 S114	I65-C110 VanDerWaalsContact CD1-SG 3.56Å; F106-C110 PolarHBondContact O-N 3.34Å; F106-C110 PolarHBondContact O-SG 2.87Å; F106-C110 VanDerWaalsContact O-SG 3.37Å; I107-C110 PolarHBondContact O-N 2.93Å; C110-N112 VanDerWaalsContact C-N 3.34Å; C110-N112 PolarHBondContact O-N 3.39Å; C110-F113 PolarHBondContact O-N 2.97Å; C110-S114 PolarHBondContact O-N 3.16Å; C110-S114 PolarHBondContact O-OG 3.18Å
111	K	71	Confident	73.2	Confident	87 Å²	87	65.7 Å²	65.7	38%	0.378	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-41.1	178.4	-77.9	179.3	177.9	176.4	0	112.5	I107 N108 I109 K115	I107-K111 HydrophobicContact CG2-CD 3.92Å; I107-K111 HydrophobicContact CG2-CG 4.39Å; I107-K111 WeakPolarHBondContact O-CB 3.46Å; I107-K111 WeakPolarHBondContact O-CG 3.47Å; I107-K111 PolarHBondContact O-N 3.32Å; N108-K111 PolarHBondContact O-N 3.01Å; I109-K111 PolarHBondContact O-N 2.85Å; K111-K115 WeakPolarHBondContact O-CG 3.42Å; K111-K115 PolarHBondContact O-N 2.98Å
112	N	79.2	Confident	72.7	Confident	93 Å²	93	60.1 Å²	60.1	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-71	-36.6	179.7	-72.7	-16	0	0	0	111.9	N108 I109 C110	N108-N112 VanDerWaalsContact O-CB 3.29Å; N108-N112 WeakPolarHBondContact O-CB 3.35Å; N108-N112 PolarHBondContact O-N 2.85Å; N108-N112 PolarHBondContact O-ND2 3.44Å; I109-N112 PolarHBondContact O-N 3.01Å; C110-N112 VanDerWaalsContact C-N 3.34Å; C110-N112 PolarHBondContact O-N 3.39Å
113	F	76.4	Confident	72.4	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-45.7	175.4	-179.5	-96.9	0	0	0	112.5	G62 L63 I109 C110 K115 R116 S117 K119 V121	G62-F113 VanDerWaalsContact C-CE2 3.49Å; G62-F113 VanDerWaalsContact C-CZ 3.42Å; G62-F113 WeakPolarHBondContact O-CE2 3.41Å; L63-F113 HydrophobicContact CB-CD1 4.05Å; L63-F113 HydrophobicContact CB-CD2 3.58Å; L63-F113 HydrophobicContact CB-CE1 3.95Å; L63-F113 HydrophobicContact CB-CE2 3.53Å; L63-F113 HydrophobicContact CB-CG 3.86Å; L63-F113 HydrophobicContact CB-CZ 3.7Å; L63-F113 HydrophobicContact CD2-CB 3.66Å; L63-F113 HydrophobicContact CD2-CD1 4.16Å; L63-F113 HydrophobicContact CD2-CD2 4.01Å; L63-F113 HydrophobicContact CD2-CG 3.67Å; L63-F113 HydrophobicContact CG-CD2 4.31Å; L63-F113 HydrophobicContact CG-CG 4.38Å; I109-F113 WeakPolarHBondContact O-CB 3.44Å; I109-F113 PolarHBondContact O-N 2.76Å; C110-F113 PolarHBondContact O-N 2.97Å; F113-K115 PolarHBondContact O-N 3.23Å; F113-K115 VanDerWaalsContact O-N 3.12Å; F113-R116 WeakPolarHBondContact O-CG 3.11Å; F113-R116 PolarHBondContact O-N 3.02Å; F113-S117 WeakPolarHBondContact CZ-OG 3.43Å; F113-S117 PolarHBondContact O-N 2.93Å; F113-K119 VanDerWaalsContact CE1-O 3.3Å; F113-K119 WeakPolarHBondContact CE1-O 3.27Å; F113-K119 HydrophobicContact CZ-CB 4.14Å; F113-V121 HydrophobicContact CD1-CG2 3.4Å; F113-V121 VanDerWaalsContact CD1-CG2 3.4Å; F113-V121 HydrophobicContact CE1-CG2 3.71Å; F113-V121 HydrophobicContact CG-CG2 4.32Å
114	S	70.6	Confident	72.2	Confident	60 Å²	60	59.7 Å²	59.7	42%	0.42	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-20.5	178.3	-61.8	0	0	0	0	114	C110	C110-S114 PolarHBondContact O-N 3.16Å; C110-S114 PolarHBondContact O-OG 3.18Å
115	K	77.5	Confident	71.8	Confident	177 Å²	177	60 Å²	60	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.5	174.3	-76	174.8	-179.4	-178.3	0	113.9	K111 F113	K111-K115 WeakPolarHBondContact O-CG 3.42Å; K111-K115 PolarHBondContact O-N 2.98Å; F113-K115 PolarHBondContact O-N 3.23Å; F113-K115 VanDerWaalsContact O-N 3.12Å
116	R	84.7	Confident	70.3	Confident	137 Å²	137	57.3 Å²	57.3	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-15.8	-171	63.3	177.3	165.1	115.1	-6.8	114.5	E85 F113	E85-R116 IonicContact OE1-CZ 2.84Å; E85-R116 IonicContact OE1-NH2 3.26Å; E85-R116 PolarHBondContact OE1-NH2 3.3Å; E85-R116 IonicContact OE2-CZ 2.8Å; E85-R116 IonicContact OE2-NH1 3.95Å; E85-R116 PolarHBondContact OE2-NH1 2.84Å; E85-R116 IonicContact OE2-NH2 2.92Å; E85-R116 PolarHBondContact OE2-NH2 2.85Å; F113-R116 WeakPolarHBondContact O-CG 3.11Å; F113-R116 PolarHBondContact O-N 3.02Å
117	S	75	Confident	68.4	Low	29 Å²	29	61.7 Å²	61.7	20%	0.203	30%	0.299	C	S	.	.			trans	-143.9	137.4	-174.1	178.5	0	0	0	0	110.3	F113 K119	F113-S117 WeakPolarHBondContact CZ-OG 3.43Å; F113-S117 PolarHBondContact O-N 2.93Å; S117-K119 VanDerWaalsContact OG-CB 3.27Å; S117-K119 WeakPolarHBondContact OG-CB 3.32Å; S117-K119 WeakPolarHBondContact OG-CG 3.4Å; S117-K119 PolarHBondContact OG-N 2.89Å; S117-K119 VanDerWaalsContact OG-N 3.16Å
118	D	74.1	Confident	66.6	Low	158 Å²	158	61.6 Å²	61.6	85%	0.845	30%	0.3	S	S	*	.			trans	-86.8	-13.8	170.4	64.6	-23.3	0	0	0	112.8
119	K	73.4	Confident	64.2	Low	83 Å²	83	58.7 Å²	58.7	36%	0.361	28%	0.284	S	S	.	.	S	Bend	trans	-56.2	164.8	170.8	-56.3	-166.9	-176.6	-151.5	0	112.3	E60 F113 S117	E60-K119 HydrophobicContact CB-CD 4.31Å; E60-K119 WeakPolarHBondContact O-CB 3.33Å; E60-K119 IonicContact OE2-NZ 3.05Å; E60-K119 PolarHBondContact OE2-NZ 2.82Å; F113-K119 VanDerWaalsContact CE1-O 3.3Å; F113-K119 WeakPolarHBondContact CE1-O 3.27Å; F113-K119 HydrophobicContact CZ-CB 4.14Å; S117-K119 VanDerWaalsContact OG-CB 3.27Å; S117-K119 WeakPolarHBondContact OG-CB 3.32Å; S117-K119 WeakPolarHBondContact OG-CG 3.4Å; S117-K119 PolarHBondContact OG-N 2.89Å; S117-K119 VanDerWaalsContact OG-N 3.16Å
120	I	68.8	Low	61.7	Low	20 Å²	20	59.2 Å²	59.2	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.1	-174.5	-70.8	-177.8	0	0	0	112.4	L56 K59 E60 I61 G62 L63 C181	L56-I120 HydrophobicContact CD2-CD1 3.54Å; K59-I120 HydrophobicContact CB-CD1 3.32Å; K59-I120 HydrophobicContact CB-CG1 4Å; K59-I120 HydrophobicContact CD-CD1 3.7Å; K59-I120 HydrophobicContact CD-CG1 4.21Å; K59-I120 HydrophobicContact CG-CD1 4.15Å; E60-I120 WeakPolarHBondContact O-CB 3.22Å; E60-I120 PolarHBondContact O-N 3.5Å; I61-I120 CarbonylContact C-O 3.52Å; I61-I120 WeakPolarHBondContact CA-O 3.27Å; I61-I120 HydrophobicContact CG1-CG2 4.45Å; G62-I120 PolarHBondContact N-O 3.27Å; L63-I120 PolarHBondContact N-O 3.23Å; I120-C181 HydrophobicContact CG2-CB 3.14Å; I120-C181 WeakPolarHBondContact CG2-SG 3.31Å
121	V	64.8	Low	59.6	Low	7 Å²	7	61.4 Å²	61.4	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	109.5	164	-172.2	0	0	0	0	110.2	L63 I65 F113 I123	L63-V121 HydrophobicContact CB-CG1 4.36Å; L63-V121 HydrophobicContact CB-CG2 4.35Å; L63-V121 HydrophobicContact CD2-CG1 3.88Å; L63-V121 HydrophobicContact CD2-CG2 4.05Å; L63-V121 HydrophobicContact CG-CG1 4.09Å; L63-V121 CarbonylContact O-C 3.53Å; L63-V121 WeakPolarHBondContact O-CA 3.47Å; I65-V121 HydrophobicContact CD1-CG1 3.7Å; I65-V121 HydrophobicContact CG1-CG1 3.98Å; F113-V121 HydrophobicContact CD1-CG2 3.4Å; F113-V121 VanDerWaalsContact CD1-CG2 3.4Å; F113-V121 HydrophobicContact CE1-CG2 3.71Å; F113-V121 HydrophobicContact CG-CG2 4.32Å; V121-I123 HydrophobicContact CG1-CD1 4.49Å; V121-I123 HydrophobicContact CG1-CG1 3.83Å
122	G	64.7	Low	57.4	Low	5 Å²	5	63.3 Å²	63.3	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.1	163.3	0	0	0	0	0	109.6	L63 W64 I65	L63-G122 WeakPolarHBondContact O-CA 3.37Å; L63-G122 PolarHBondContact O-N 2.91Å; W64-G122 CarbonylContact C-O 3.58Å; W64-G122 VanDerWaalsContact CA-O 3.31Å; W64-G122 WeakPolarHBondContact CA-O 3.43Å; I65-G122 PolarHBondContact N-O 2.82Å
123	I	62.4	Low	54.9	Low	26 Å²	26	61.7 Å²	61.7	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.5	177.4	-48.8	157.2	0	0	0	108.3	I65 L67 F106 V121 F125 I182	I65-I123 HydrophobicContact CB-CG2 4.25Å; I65-I123 CarbonylContact O-C 3.6Å; I65-I123 WeakPolarHBondContact O-CA 3.08Å; L67-I123 HydrophobicContact CD1-CG2 4.03Å; L67-I123 HydrophobicContact CG-CG2 4.11Å; F106-I123 HydrophobicContact CE2-CD1 4.05Å; F106-I123 HydrophobicContact CE2-CG1 4.2Å; F106-I123 HydrophobicContact CE2-CG2 4.01Å; F106-I123 HydrophobicContact CZ-CD1 3.63Å; F106-I123 HydrophobicContact CZ-CG1 4.28Å; V121-I123 HydrophobicContact CG1-CD1 4.49Å; V121-I123 HydrophobicContact CG1-CG1 3.83Å; I123-F125 HydrophobicContact CB-CD1 4.31Å; I123-F125 HydrophobicContact CB-CE1 3.56Å; I123-F125 HydrophobicContact CB-CE2 4.04Å; I123-F125 HydrophobicContact CB-CZ 3.39Å; I123-F125 HydrophobicContact CD1-CE1 3.94Å; I123-F125 HydrophobicContact CD1-CZ 3.87Å; I123-F125 HydrophobicContact CG1-CE1 4.35Å; I123-F125 HydrophobicContact CG1-CZ 4.26Å; I123-F125 HydrophobicContact CG2-CD1 3.43Å; I123-F125 VanDerWaalsContact CG2-CD1 3.43Å; I123-F125 HydrophobicContact CG2-CD2 4.47Å; I123-F125 HydrophobicContact CG2-CE1 3.05Å; I123-F125 HydrophobicContact CG2-CE2 4.17Å; I123-F125 HydrophobicContact CG2-CG 4.13Å; I123-F125 HydrophobicContact CG2-CZ 3.47Å; I123-F125 VanDerWaalsContact CG2-CZ 3.47Å; I123-F125 WeakPolarHBondContact O-CE2 3.41Å; I123-I182 HydrophobicContact CD1-CB 4.31Å; I123-I182 HydrophobicContact CD1-CD1 3.72Å; I123-I182 HydrophobicContact CD1-CG1 4.03Å
124	L	61.3	Low	52.5	Low	13 Å²	13	67.6 Å²	67.6	7%	0.068	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	107.9	171.3	-177.9	73.1	0	0	0	109.8	T28 I65 L67 T68 Y74	T28-L124 HydrophobicContact CG2-CD1 3.76Å; T28-L124 HydrophobicContact CG2-CD2 3.78Å; T28-L124 HydrophobicContact CG2-CG 4.3Å; I65-L124 PolarHBondContact O-N 2.96Å; L67-L124 WeakPolarHBondContact CB-O 3.34Å; L67-L124 PolarHBondContact N-O 3.32Å; T68-L124 HydrophobicContact CG2-CD2 3.9Å; T68-L124 HydrophobicContact CG2-CG 4.17Å; Y74-L124 HydrophobicContact CE1-CD2 3.3Å; Y74-L124 WeakPolarHBondContact OH-CD2 3.4Å
125	F	59.3	Low	50.5	Low	85 Å²	85	67.4 Å²	67.4	37%	0.373	33%	0.334	S	S	.	.			trans	-104.3	141.8	171	-14.2	-107.6	0	0	0	109.2	L67 I123 F127	L67-F125 HydrophobicContact CD1-CB 4.22Å; L67-F125 HydrophobicContact CD1-CD1 3.44Å; L67-F125 VanDerWaalsContact CD1-CD1 3.44Å; L67-F125 HydrophobicContact CD1-CE1 4.26Å; L67-F125 HydrophobicContact CD1-CG 4.22Å; L67-F125 HydrophobicContact CG-CD1 4.44Å; I123-F125 HydrophobicContact CB-CD1 4.31Å; I123-F125 HydrophobicContact CB-CE1 3.56Å; I123-F125 HydrophobicContact CB-CE2 4.04Å; I123-F125 HydrophobicContact CB-CZ 3.39Å; I123-F125 HydrophobicContact CD1-CE1 3.94Å; I123-F125 HydrophobicContact CD1-CZ 3.87Å; I123-F125 HydrophobicContact CG1-CE1 4.35Å; I123-F125 HydrophobicContact CG1-CZ 4.26Å; I123-F125 HydrophobicContact CG2-CD1 3.43Å; I123-F125 VanDerWaalsContact CG2-CD1 3.43Å; I123-F125 HydrophobicContact CG2-CD2 4.47Å; I123-F125 HydrophobicContact CG2-CE1 3.05Å; I123-F125 HydrophobicContact CG2-CE2 4.17Å; I123-F125 HydrophobicContact CG2-CG 4.13Å; I123-F125 HydrophobicContact CG2-CZ 3.47Å; I123-F125 VanDerWaalsContact CG2-CZ 3.47Å; I123-F125 WeakPolarHBondContact O-CE2 3.41Å; F125-F127 HydrophobicContact CB-CB 4.42Å; F125-F127 PolarHBondContact O-N 3.17Å
126	Q	44	Very low	48.1	Very low	42 Å²	42	65 Å²	65	20%	0.196	33%	0.334	C	S	.	.			trans	-76.8	50.1	164.7	-155.7	173.2	-12	0	0	110.8	W19 T68	W19-Q126 HydrophobicContact CZ2-CG 4.45Å; T68-Q126 HydrophobicContact CG2-CB 4.07Å
127	F	34.7	Very low	45.2	Very low	135 Å²	135	61 Å²	61	59%	0.592	34%	0.336	S	S	*	.			trans	-108.4	70.3	168.5	-94.7	-86.9	0	0	0	109.2	F125 L129	F125-F127 HydrophobicContact CB-CB 4.42Å; F125-F127 PolarHBondContact O-N 3.17Å; F127-L129 PolarHBondContact O-N 3Å
128	V	30.4	Very low	42.8	Very low	23 Å²	23	62.2 Å²	62.2	14%	0.139	35%	0.353	C	S	.	.			trans	-69.9	115.8	142.6	-178.4	0	0	0	0	103.2	W19 L130	W19-V128 HydrophobicContact CZ2-CG2 4.26Å; W19-V128 VanDerWaalsContact NE1-CG2 3.34Å; V128-L130 HydrophobicContact CB-CD1 3.81Å; V128-L130 HydrophobicContact CB-CG 3.78Å; V128-L130 HydrophobicContact CG1-CD1 4.33Å; V128-L130 HydrophobicContact CG1-CD2 4.3Å; V128-L130 HydrophobicContact CG1-CG 3.8Å; V128-L130 WeakPolarHBondContact O-CA 3.23Å; V128-L130 WeakPolarHBondContact O-CB 3.4Å; V128-L130 VanDerWaalsContact O-CG 3.27Å; V128-L130 WeakPolarHBondContact O-CG 3.44Å; V128-L130 PolarHBondContact O-N 3.19Å
129	L	27.4	Very low	40.5	Very low	11 Å²	11	64.6 Å²	64.6	6%	0.058	36%	0.356	C	S	.	.			trans	-43.1	97.1	158.7	-122.9	160.3	0	0	0	104.6	F127 F199 Y208 K209 Y212	F127-L129 PolarHBondContact O-N 3Å; L129-F199 HydrophobicContact CD1-CE1 3.98Å; L129-F199 HydrophobicContact CD1-CZ 3.85Å; L129-Y208 VanDerWaalsContact C-OH 3.24Å; L129-Y208 HydrophobicContact CB-CE1 4.04Å; L129-Y208 HydrophobicContact CB-CE2 4.43Å; L129-Y208 WeakPolarHBondContact CB-OH 3.42Å; L129-Y208 HydrophobicContact CD1-CD1 4.43Å; L129-Y208 HydrophobicContact CD1-CE1 4.02Å; L129-Y208 HydrophobicContact CD2-CD1 4.31Å; L129-Y208 HydrophobicContact CD2-CD2 3.94Å; L129-Y208 HydrophobicContact CD2-CE1 3.88Å; L129-Y208 HydrophobicContact CD2-CE2 3.35Å; L129-Y208 HydrophobicContact CD2-CG 4.39Å; L129-Y208 VanDerWaalsContact CD2-CZ 3.42Å; L129-Y208 HydrophobicContact CG-CE1 4.19Å; L129-Y208 HydrophobicContact CG-CE2 4.38Å; L129-Y208 PolarHBondContact O-OH 2.98Å; L129-K209 HydrophobicContact CD2-CD 4.04Å; L129-K209 HydrophobicContact CD2-CG 4.02Å; L129-Y212 HydrophobicContact CD2-CE2 4.37Å
130	L	25	Very low	38.2	Very low	44 Å²	44	65.9 Å²	65.9	23%	0.23	38%	0.376	C	S	.	.			trans	-111	92.3	-167	-97.8	160.1	0	0	0	105.9	R18 V128 H132 K209	R18-L130 VanDerWaalsContact NE-CD1 3.27Å; V128-L130 HydrophobicContact CB-CD1 3.81Å; V128-L130 HydrophobicContact CB-CG 3.78Å; V128-L130 HydrophobicContact CG1-CD1 4.33Å; V128-L130 HydrophobicContact CG1-CD2 4.3Å; V128-L130 HydrophobicContact CG1-CG 3.8Å; V128-L130 WeakPolarHBondContact O-CA 3.23Å; V128-L130 WeakPolarHBondContact O-CB 3.4Å; V128-L130 VanDerWaalsContact O-CG 3.27Å; V128-L130 WeakPolarHBondContact O-CG 3.44Å; V128-L130 PolarHBondContact O-N 3.19Å; L130-H132 PolarHBondContact O-N 2.88Å; L130-H132 VanDerWaalsContact O-N 3.09Å; L130-K209 WeakPolarHBondContact O-CE 3.46Å; L130-K209 PolarHBondContact O-NZ 3.31Å
131	L	26.2	Very low	36.1	Very low	51 Å²	51	68.3 Å²	68.3	27%	0.267	41%	0.406	S	S	.	.			trans	-47.6	103.8	150.8	-65.3	160.2	0	0	0	107.9	Y208 L232 C236	L131-Y208 HydrophobicContact CD1-CD2 4.32Å; L131-Y208 HydrophobicContact CD1-CE2 3.62Å; L131-Y208 WeakPolarHBondContact CD1-OH 3.37Å; L131-Y208 HydrophobicContact CD2-CD2 3.76Å; L131-Y208 HydrophobicContact CD2-CE2 3.37Å; L131-Y208 HydrophobicContact CG-CD2 4.14Å; L131-Y208 HydrophobicContact CG-CE2 3.29Å; L131-Y208 WeakPolarHBondContact CG-OH 3.45Å; L131-L232 HydrophobicContact CD1-CD1 4.29Å; L131-L232 HydrophobicContact CD1-CD2 3.69Å; L131-L232 HydrophobicContact CD1-CG 4.44Å; L131-L232 HydrophobicContact CD2-CD1 3.88Å; L131-L232 HydrophobicContact CD2-CD2 3.24Å; L131-L232 HydrophobicContact CD2-CG 4.21Å; L131-L232 HydrophobicContact CG-CD2 4.05Å; L131-C236 HydrophobicContact CD1-CB 3.4Å; L131-C236 WeakPolarHBondContact CD1-SG 3.44Å
132	H	26.4	Very low	34.4	Very low	128 Å²	128	73.6 Å²	73.6	59%	0.593	44%	0.44	S	S	*	.			trans	-113.8	126.7	139.1	-80.5	62.1	0	0	0	105.4	L130 V134	L130-H132 PolarHBondContact O-N 2.88Å; L130-H132 VanDerWaalsContact O-N 3.09Å; H132-V134 PolarHBondContact O-N 3.28Å; H132-V134 VanDerWaalsContact O-N 3.12Å
133	S	26	Very low	32.5	Very low	58 Å²	58	81.7 Å²	81.7	41%	0.406	48%	0.481	S	S	.	.			trans	-41.1	112.5	162	178.4	0	0	0	0	109
134	V	26.7	Very low	30.7	Very low	128 Å²	128	90.7 Å²	90.7	78%	0.776	52%	0.515	S	S	*	.			trans	-103.7	97.3	151.4	-174.7	0	0	0	0	103.9	H132 V136	H132-V134 PolarHBondContact O-N 3.28Å; H132-V134 VanDerWaalsContact O-N 3.12Å; V134-V136 PolarHBondContact O-N 2.65Å
135	N	27.9	Very low	29.1	Very low	56 Å²	56	94.7 Å²	94.7	30%	0.299	55%	0.55	S	S	.	.			trans	-64.7	123.8	165.9	-157.1	22	0	0	0	107.1	G137 D324 N328 F330	N135-G137 PolarHBondContact O-N 2.6Å; N135-D324 PolarHBondContact ND2-OD2 2.9Å; N135-N328 HydrophobicContact CB-CB 4.42Å; N135-N328 VanDerWaalsContact CG-CG 3.45Å; N135-N328 PolarHBondContact ND2-ND2 3.37Å; N135-N328 PolarHBondContact OD1-ND2 3.25Å; N135-F330 HydrophobicContact CB-CZ 4.03Å
136	V	26.5	Very low	27.5	Very low	125 Å²	125	97.9 Å²	97.9	76%	0.758	56%	0.56	S	S	*	*			trans	-75.9	106.4	-175	-178.5	0	0	0	0	107.6	V134	V134-V136 PolarHBondContact O-N 2.65Å
137	G	24.8	Very low	26.8	Very low	55 Å²	55	101.3 Å²	101.3	57%	0.567	58%	0.583	S	S	*	*			trans	-163.6	89.6	176.3	0	0	0	0	0	111.2	N135	N135-G137 PolarHBondContact O-N 2.6Å
138	G	24.1	Very low	26.4	Very low	53 Å²	53	101.6 Å²	101.6	55%	0.546	59%	0.586	S	S	.	*			trans	93.7	123.9	152.4	0	0	0	0	0	117.8
139	F	26.4	Very low	26.5	Very low	208 Å²	208	102.5 Å²	102.5	91%	0.912	59%	0.593	S	S	*	*			trans	94.8	110.9	155.6	-74.9	-87.1	0	0	0	120.2
140	S	24.8	Very low	26.9	Very low	111 Å²	111	103.9 Å²	103.9	78%	0.776	60%	0.6	S	S	*	*			trans	-50.4	138.1	165.5	48.9	0	0	0	0	115.8
141	G	25.2	Very low	27.3	Very low	71 Å²	71	107.3 Å²	107.3	73%	0.732	61%	0.61	S	S	*	*			trans	100.4	133.5	148.3	0	0	0	0	0	115.4
142	P	27.5	Very low	27.6	Very low	117 Å²	117	108.3 Å²	108.3	76%	0.76	61%	0.614	S	S	*	*			cis	-113.9	125.2	11.2	19.4	2.4	0	0	0	113.8	Y144	P142-Y144 PolarHBondContact O-N 3.38Å
143	L	25.1	Very low	28	Very low	175 Å²	175	105.7 Å²	105.7	92%	0.916	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	71.4	150.5	-162.5	93	0	0	0	110.4
144	Y	25.1	Very low	28.4	Very low	215 Å²	215	107.1 Å²	107.1	84%	0.843	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.1	-3.1	174.7	-133.9	-96.4	0	0	0	116.5	P142	P142-Y144 PolarHBondContact O-N 3.38Å
145	A	27.1	Very low	28.7	Very low	98 Å²	98	104 Å²	104	81%	0.81	59%	0.591	S	S	*	*	S	Bend	trans	-113.5	3.2	-179.8	0	0	0	0	0	114.6
146	W	27.1	Very low	29	Very low	152 Å²	152	105.6 Å²	105.6	58%	0.576	60%	0.598	S	S	*	*	S	Bend	trans	-99.5	-6.2	-170.1	-160.5	70.3	0	0	0	113.8	E215	W146-E215 WeakPolarHBondContact CH2-OE2 3.42Å
147	V	27.7	Very low	29.1	Very low	114 Å²	114	103.5 Å²	103.5	69%	0.691	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-1.3	-171.6	176	0	0	0	0	114.1
148	Q	27.2	Very low	29.4	Very low	140 Å²	140	105.4 Å²	105.4	65%	0.654	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-1.2	-170.2	-73.7	-79.4	-10.7	0	0	115.5	H150	Q148-H150 VanDerWaalsContact C-N 3.26Å; Q148-H150 PolarHBondContact O-N 3.4Å
149	S	31.6	Very low	29.6	Very low	42 Å²	42	113.6 Å²	113.6	29%	0.294	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	20.6	-178	59.1	0	0	0	0	115.2	C97 R219	C97-S149 VanDerWaalsContact SG-CB 3.56Å; S149-R219 PolarHBondContact O-NH1 3.14Å
150	H	37.1	Very low	29.8	Very low	40 Å²	40	112.6 Å²	112.6	19%	0.185	60%	0.597	C	S	.	*	T	Hydrogen-bonded Turn	trans	-108.2	-13.7	-164.5	-71.7	60.4	0	0	0	115.9	Q148 I152 D154 E215 R219	Q148-H150 VanDerWaalsContact C-N 3.26Å; Q148-H150 PolarHBondContact O-N 3.4Å; H150-I152 PolarHBondContact O-N 2.88Å; H150-D154 PolarHBondContact O-N 3.28Å; H150-D154 VanDerWaalsContact O-OD2 3.05Å; H150-E215 IonicContact CD2-OE1 2.72Å; H150-E215 IonicContact CE1-OE1 3.48Å; H150-E215 PolarHBondContact CE1-OE1 2.87Å; H150-E215 IonicContact NE2-OE1 2.77Å; H150-E215 PolarHBondContact NE2-OE1 3.24Å; H150-R219 PolarHBondContact CD2-NE 2.87Å; H150-R219 PolarHBondContact CE1-NH2 2.84Å; H150-R219 PolarHBondContact ND1-NH2 2.84Å; H150-R219 PolarHBondContact NE2-NE 3.1Å; H150-R219 PolarHBondContact NE2-NH2 2.75Å
151	R	32.8	Very low	30	Very low	117 Å²	117	118.6 Å²	118.6	44%	0.442	60%	0.602	S	S	.	*	H	α-helix	trans	-75.5	-17.9	-173.8	-67.9	-169.3	-178.9	-169.9	6.9	117.1	E100 L153 C155	E100-R151 WeakPolarHBondContact OE1-CD 3.49Å; E100-R151 IonicContact OE1-CZ 2.78Å; E100-R151 IonicContact OE1-NE 3.47Å; E100-R151 IonicContact OE1-NH1 3.35Å; E100-R151 PolarHBondContact OE1-NH1 2.89Å; E100-R151 WeakPolarHBondContact OE2-CD 3.2Å; E100-R151 IonicContact OE2-CZ 3.66Å; E100-R151 VanDerWaalsContact OE2-CZ 3.29Å; E100-R151 IonicContact OE2-NE 2.82Å; E100-R151 IonicContact OE2-NH1 3.95Å; E100-R151 PolarHBondContact OE2-NH1 3.16Å; R151-L153 PolarHBondContact O-N 2.74Å; R151-C155 WeakPolarHBondContact O-CB 3.24Å; R151-C155 PolarHBondContact O-N 3.24Å; R151-C155 PolarHBondContact O-SG 3.11Å
152	I	33.1	Very low	30.1	Very low	72 Å²	72	122.4 Å²	122.4	37%	0.369	60%	0.601	S	S	.	*	H	α-helix	trans	-61.8	-30.8	178.3	-67.7	173.6	0	0	0	112.6	P98 V103 H150 I156	P98-I152 HydrophobicContact CB-CD1 4.5Å; P98-I152 HydrophobicContact CG-CD1 4.15Å; V103-I152 HydrophobicContact CB-CG1 3.9Å; V103-I152 HydrophobicContact CG1-CB 4.13Å; V103-I152 HydrophobicContact CG1-CG1 3.49Å; V103-I152 VanDerWaalsContact CG1-CG1 3.49Å; V103-I152 HydrophobicContact CG2-CB 4.49Å; V103-I152 HydrophobicContact CG2-CD1 3.5Å; V103-I152 HydrophobicContact CG2-CG1 3.11Å; H150-I152 PolarHBondContact O-N 2.88Å; I152-I156 WeakPolarHBondContact O-CD1 3.29Å
153	L	34	Very low	30	Very low	73 Å²	73	125 Å²	125	38%	0.382	60%	0.601	S	S	.	*	H	α-helix	trans	-111.5	-27.5	-164.8	-116	172.7	0	0	0	109.1	R151 Y220	R151-L153 PolarHBondContact O-N 2.74Å; L153-Y220 WeakPolarHBondContact CB-OH 3.16Å; L153-Y220 HydrophobicContact CD1-CE2 4.32Å; L153-Y220 HydrophobicContact CD2-CE2 4.44Å; L153-Y220 WeakPolarHBondContact CD2-OH 3.38Å
154	D	34.4	Very low	30	Very low	88 Å²	88	123.8 Å²	123.8	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-74.8	-24.6	170.3	-65.3	-22.7	0	0	0	114.1	H150 I156	H150-D154 PolarHBondContact O-N 3.28Å; H150-D154 VanDerWaalsContact O-OD2 3.05Å; D154-I156 VanDerWaalsContact C-N 3.32Å; D154-I156 PolarHBondContact O-N 2.77Å
155	C	34	Very low	29.9	Very low	63 Å²	63	121.7 Å²	121.7	43%	0.426	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-3.2	179.6	-70.5	0	0	0	0	114.9	I107 R151	I107-C155 HydrophobicContact CD1-CB 4.32Å; R151-C155 WeakPolarHBondContact O-CB 3.24Å; R151-C155 PolarHBondContact O-N 3.24Å; R151-C155 PolarHBondContact O-SG 3.11Å
156	I	33.1	Very low	29.8	Very low	89 Å²	89	121.5 Å²	121.5	46%	0.456	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-10.7	-178.5	-62.2	176.1	0	0	0	111.7	I152 D154 I187	I152-I156 WeakPolarHBondContact O-CD1 3.29Å; D154-I156 VanDerWaalsContact C-N 3.32Å; D154-I156 PolarHBondContact O-N 2.77Å; I156-I187 WeakPolarHBondContact O-CD1 3.15Å
157	L	30	Very low	29.6	Very low	81 Å²	81	118.6 Å²	118.6	42%	0.424	58%	0.583	S	S	.	*			trans	-127.9	86.5	-169.2	-64.4	171.5	0	0	0	113.1	I187	L157-I187 HydrophobicContact CD2-CG2 4.02Å
158	P	30.3	Very low	29.6	Very low	94 Å²	94	120.4 Å²	120.4	61%	0.61	58%	0.582	S	S	*	*			trans	-126.2	124.4	146.6	14.3	6.7	0	0	0	112.7
159	R	28.5	Very low	29.5	Very low	225 Å²	225	121 Å²	121	85%	0.849	59%	0.585	S	S	*	*			trans	38.1	107.3	146.4	-60.7	179.9	179.8	-172.5	-0.6	117.5
160	H	30.3	Very low	29.1	Very low	188 Å²	188	123.2 Å²	123.2	87%	0.87	59%	0.593	S	S	*	*				170.6	133.8	112.7	-90.4	-74.4	0	0	0	109.6
161	R	27.8	Very low	28.4	Very low	236 Å²	236	125.9 Å²	125.9	89%	0.891	62%	0.622	S	S	*	*			trans	-72.7	131.3	-175.6	-63.2	176.5	178.4	-172.5	-1.6	109.4
162	E	28.8	Very low	28	Very low	152 Å²	152	128.7 Å²	128.7	71%	0.71	64%	0.637	S	S	*	*				163.4	127	126.6	-88	-175.2	-140.6	0	0	112.8
163	K	25.1	Very low	27.5	Very low	171 Å²	171	131.1 Å²	131.1	74%	0.743	66%	0.655	S	S	*	*			trans	70.2	125.8	145.8	-67.9	171.2	-175.3	146.8	0	120.8
164	L	25.2	Very low	26.9	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	68%	0.679	S	S	*	*			trans	103.9	116.9	150.3	-95.3	94	0	0	0	121.6
165	Q	22.5	Very low	26.5	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	70%	0.696	S	S	*	*			trans	17.4	105.5	146.3	-74.8	179.2	-43.8	0	0	119.9
166	V	26	Very low	26	Very low	94 Å²	94	144.9 Å²	144.9	57%	0.57	71%	0.712	S	S	*	*			trans	-87.1	101.5	157.3	179.2	0	0	0	0	108.8	F168 V188	V166-F168 HydrophobicContact CG1-CD2 4.33Å; V166-F168 HydrophobicContact CG1-CE2 4.46Å; V166-F168 PolarHBondContact O-N 3.42Å; V166-F168 VanDerWaalsContact O-N 3.14Å; V166-V188 HydrophobicContact CG2-CG2 4.33Å
167	S	23	Very low	25.7	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	71%	0.712	S	S	*	*			trans	-73.5	97.1	163.3	-70.7	0	0	0	0	108.8	H169	S167-H169 PolarHBondContact O-N 3.21Å
168	F	26.4	Very low	25.5	Very low	153 Å²	153	142.4 Å²	142.4	67%	0.671	71%	0.705	S	S	*	*			trans	-54.6	107.8	154.6	-80.6	-95.4	0	0	0	106.5	V166 L170	V166-F168 HydrophobicContact CG1-CD2 4.33Å; V166-F168 HydrophobicContact CG1-CE2 4.46Å; V166-F168 PolarHBondContact O-N 3.42Å; V166-F168 VanDerWaalsContact O-N 3.14Å; F168-L170 HydrophobicContact CB-CB 4.41Å; F168-L170 HydrophobicContact CB-CD1 3.79Å; F168-L170 HydrophobicContact CB-CG 4.07Å; F168-L170 HydrophobicContact CD1-CD1 3.95Å; F168-L170 HydrophobicContact CD1-CG 4.36Å; F168-L170 HydrophobicContact CG-CD1 4.05Å; F168-L170 PolarHBondContact O-N 3.24Å
169	H	24.5	Very low	25.4	Very low	151 Å²	151	142.6 Å²	142.6	70%	0.699	71%	0.705	S	S	*	*			trans	-72.9	67.9	159.2	-84.4	49.7	0	0	0	107.9	S167 A171	S167-H169 PolarHBondContact O-N 3.21Å; H169-A171 PolarHBondContact O-N 3.06Å
170	L	24.7	Very low	25.6	Very low	89 Å²	89	135.9 Å²	135.9	47%	0.466	68%	0.682	S	S	.	*			trans	-78	92.9	154.7	-82.9	157.2	0	0	0	104.9	F168 F172	F168-L170 HydrophobicContact CB-CB 4.41Å; F168-L170 HydrophobicContact CB-CD1 3.79Å; F168-L170 HydrophobicContact CB-CG 4.07Å; F168-L170 HydrophobicContact CD1-CD1 3.95Å; F168-L170 HydrophobicContact CD1-CG 4.36Å; F168-L170 HydrophobicContact CG-CD1 4.05Å; F168-L170 PolarHBondContact O-N 3.24Å; L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 HydrophobicContact CB-CD2 3.78Å; L170-F172 HydrophobicContact CB-CE2 3.73Å; L170-F172 HydrophobicContact CD1-CE2 4.05Å; L170-F172 HydrophobicContact CG-CE2 4.33Å; L170-F172 PolarHBondContact O-N 2.82Å
171	A	22.8	Very low	25.6	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	65%	0.653	S	S	*	*			trans	-66.2	96.1	163.7	0	0	0	0	0	107.1	H169 V173	H169-A171 PolarHBondContact O-N 3.06Å; A171-V173 PolarHBondContact O-N 3.19Å
172	F	22.9	Very low	25.7	Very low	176 Å²	176	121.7 Å²	121.7	77%	0.772	63%	0.632	S	S	*	*			trans	-74.5	102.2	174.6	-93.4	-94.6	0	0	0	109.3	L170	L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 HydrophobicContact CB-CD2 3.78Å; L170-F172 HydrophobicContact CB-CE2 3.73Å; L170-F172 HydrophobicContact CD1-CE2 4.05Å; L170-F172 HydrophobicContact CG-CE2 4.33Å; L170-F172 PolarHBondContact O-N 2.82Å
173	V	22.3	Very low	25.6	Very low	123 Å²	123	121.3 Å²	121.3	75%	0.745	63%	0.63	S	S	*	*	S	Bend	trans	-137.6	104.2	154.4	-174	0	0	0	0	108.8	A171	A171-V173 PolarHBondContact O-N 3.19Å
174	R	23.2	Very low	25.6	Very low	232 Å²	232	116.6 Å²	116.6	88%	0.875	62%	0.615	S	S	*	*	S	Bend	trans	64.8	56.5	163.6	-62.6	179.9	167.2	164.1	-3.3	118.1
175	G	25.3	Very low	25.6	Very low	81 Å²	81	113.4 Å²	113.4	84%	0.835	61%	0.605	S	S	*	*	S	Bend	trans	72.1	39.6	145.1	0	0	0	0	0	118.1
176	R	24	Very low	25.8	Very low	200 Å²	200	114.3 Å²	114.3	76%	0.755	60%	0.602	S	S	*	*			trans	-142	135.3	174.1	-59.6	-177.9	-172.8	-178.1	0.9	110.1
177	V	26.8	Very low	25.8	Very low	77 Å²	77	113.5 Å²	113.5	47%	0.467	59%	0.593	S	S	.	*			trans	-126.5	132	175.3	-179.5	0	0	0	0	110.6	D55	D55-V177 WeakPolarHBondContact OD2-CA 3.16Å
178	C	26.2	Very low	26.1	Very low	41 Å²	41	113.9 Å²	113.9	28%	0.277	59%	0.592	S	S	.	*			trans	-116.5	152.6	179.7	-157.4	0	0	0	0	110.2	K25 D55 K180	K25-C178 HydrophobicContact CD-CB 4.38Å; D55-C178 HydrophobicContact CB-CB 4.1Å; D55-C178 WeakPolarHBondContact OD2-CA 3.38Å; D55-C178 WeakPolarHBondContact OD2-CB 3.43Å; D55-C178 PolarHBondContact OD2-N 3.06Å; C178-K180 PolarHBondContact O-N 3.14Å
179	V	27.1	Very low	26.4	Very low	98 Å²	98	112.3 Å²	112.3	59%	0.594	59%	0.594	S	S	*	*			trans	-57.9	120.1	-178.4	-179.3	0	0	0	0	110.8
180	K	33.2	Very low	27.2	Very low	85 Å²	85	110.1 Å²	110.1	37%	0.37	59%	0.587	S	S	.	*			trans	-133.3	112.4	175.2	-85.6	-172.3	173.6	-162.1	0	111.9	D55 L56 C178	D55-K180 VanDerWaalsContact C-NZ 3.31Å; D55-K180 WeakPolarHBondContact O-CE 3.46Å; D55-K180 PolarHBondContact O-NZ 2.89Å; L56-K180 VanDerWaalsContact CA-NZ 3.33Å; L56-K180 HydrophobicContact CD2-CG 4.22Å; L56-K180 HydrophobicContact CG-CG 4.27Å; C178-K180 PolarHBondContact O-N 3.14Å
181	C	30.6	Very low	28.7	Very low	38 Å²	38	111.3 Å²	111.3	26%	0.257	59%	0.592	S	S	.	*				33.2	116.5	120	-55.7	0	0	0	0	118.6	I120 Q183	I120-C181 HydrophobicContact CG2-CB 3.14Å; I120-C181 WeakPolarHBondContact CG2-SG 3.31Å; C181-Q183 PolarHBondContact O-N 2.91Å
182	I	30	Very low	30.6	Very low	88 Å²	88	107.1 Å²	107.1	45%	0.451	56%	0.556	S	S	.	*			trans	-82	110.6	179.6	-55.2	176.9	0	0	0	108.6	I123 V184	I123-I182 HydrophobicContact CD1-CB 4.31Å; I123-I182 HydrophobicContact CD1-CD1 3.72Å; I123-I182 HydrophobicContact CD1-CG1 4.03Å; I182-V184 HydrophobicContact CB-CG2 4.43Å; I182-V184 HydrophobicContact CG2-CG2 3.58Å; I182-V184 PolarHBondContact O-N 3.14Å
183	Q	25.9	Very low	32.5	Very low	143 Å²	143	102.9 Å²	102.9	67%	0.668	54%	0.542	S	S	*	.			trans	-80.2	102.5	159.6	-164.3	173.1	-25.2	0	0	106.6	C181 S185	C181-Q183 PolarHBondContact O-N 2.91Å; Q183-S185 PolarHBondContact O-N 3.02Å
184	V	26.2	Very low	34.4	Very low	73 Å²	73	99.4 Å²	99.4	44%	0.442	53%	0.526	S	S	.	.			trans	-78.5	87.5	-179.3	-172.4	0	0	0	0	108.5	I182	I182-V184 HydrophobicContact CB-CG2 4.43Å; I182-V184 HydrophobicContact CG2-CG2 3.58Å; I182-V184 PolarHBondContact O-N 3.14Å
185	S	24.6	Very low	36.1	Very low	82 Å²	82	90.4 Å²	90.4	57%	0.573	50%	0.501	S	S	*	.			trans	-118.7	137.4	163.6	54	0	0	0	0	109.4	Q183	Q183-S185 PolarHBondContact O-N 3.02Å
186	W	25.9	Very low	38	Very low	191 Å²	191	87.4 Å²	87.4	72%	0.723	47%	0.466	S	S	*	.			trans	-63.5	132.2	-151.9	-62.9	76	0	0	0	116.7
187	I	26.9	Very low	40	Very low	77 Å²	77	80.7 Å²	80.7	40%	0.395	45%	0.453	S	S	.	.			trans	48.5	99.9	144.5	-50.3	174.6	0	0	0	118.1	I156 L157	I156-I187 WeakPolarHBondContact O-CD1 3.15Å; L157-I187 HydrophobicContact CD2-CG2 4.02Å
188	V	29.8	Very low	41.5	Very low	98 Å²	98	79.5 Å²	79.5	59%	0.594	45%	0.451	S	S	*	.			trans	-128.2	132.9	149.9	179.2	0	0	0	0	107.9	V166 I190	V166-V188 HydrophobicContact CG2-CG2 4.33Å; V188-I190 PolarHBondContact O-N 3.17Å
189	V	30.8	Very low	43.1	Very low	119 Å²	119	81 Å²	81	72%	0.721	45%	0.453	S	S	*	.			trans	-62.6	99.9	171.3	179.2	0	0	0	0	107.5	I191	V189-I191 PolarHBondContact O-N 3.14Å
190	I	42.6	Very low	44.8	Very low	106 Å²	106	79 Å²	79	54%	0.544	44%	0.441	S	S	.	.			trans	-79.6	116.1	175.4	-57.7	174.5	0	0	0	106.4	V188 I192 A194 A195	V188-I190 PolarHBondContact O-N 3.17Å; I190-I192 PolarHBondContact O-N 2.81Å; I190-A194 HydrophobicContact CG2-CB 3.93Å; I190-A195 HydrophobicContact CB-CB 4.44Å; I190-A195 HydrophobicContact CG2-CB 3.57Å; I190-A195 VanDerWaalsContact CG2-N 3.28Å
191	I	55.5	Low	46.1	Very low	113 Å²	113	79.2 Å²	79.2	58%	0.579	45%	0.453	S	S	*	.			trans	-50.7	125.5	164.8	-58.6	171.1	0	0	0	106.1	V189 D193 A194 A195	V189-I191 PolarHBondContact O-N 3.14Å; I191-D193 HydrophobicContact CG2-CB 4.16Å; I191-D193 PolarHBondContact O-N 3.26Å; I191-A194 HydrophobicContact CB-CB 4.46Å; I191-A194 WeakPolarHBondContact O-CA 3.3Å; I191-A194 WeakPolarHBondContact O-CB 3.35Å; I191-A194 PolarHBondContact O-N 3.26Å; I191-A195 PolarHBondContact O-N 3.12Å
192	I	62.6	Low	47.1	Very low	9 Å²	9	80 Å²	80	5%	0.046	46%	0.463	C	S	.	.	H	α-helix	trans	-49.1	-37.8	-172.8	-173.7	164.7	0	0	0	112.7	I190 A194 A195 I196 L216 Y217 D221	I190-I192 PolarHBondContact O-N 2.81Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.8Å; I192-A195 WeakPolarHBondContact O-CB 3.21Å; I192-A195 PolarHBondContact O-N 3.21Å; I192-A195 VanDerWaalsContact O-N 3.15Å; I192-I196 HydrophobicContact CG1-CD1 3.82Å; I192-I196 HydrophobicContact CG1-CG1 4.4Å; I192-I196 WeakPolarHBondContact O-CG1 3.3Å; I192-I196 PolarHBondContact O-N 2.79Å; I192-L216 HydrophobicContact CD1-CB 3.45Å; I192-L216 VanDerWaalsContact CD1-CB 3.45Å; I192-L216 VanDerWaalsContact CD1-O 3.29Å; I192-L216 WeakPolarHBondContact CD1-O 3.4Å; I192-L216 HydrophobicContact CG1-CB 4.23Å; I192-Y217 HydrophobicContact CD1-CD1 4.23Å; I192-Y217 HydrophobicContact CD1-CD2 3.31Å; I192-Y217 HydrophobicContact CD1-CE1 4.44Å; I192-Y217 HydrophobicContact CD1-CE2 3.56Å; I192-Y217 HydrophobicContact CD1-CG 3.67Å; I192-Y217 HydrophobicContact CG1-CD2 4.14Å; I192-Y217 HydrophobicContact CG1-CE2 3.86Å; I192-Y217 HydrophobicContact CG2-CD1 4.2Å; I192-Y217 HydrophobicContact CG2-CE1 3.65Å; I192-Y217 HydrophobicContact CG2-CE2 4.18Å; I192-D221 HydrophobicContact CG2-CB 3.94Å; I192-D221 WeakPolarHBondContact CG2-OD2 3.41Å
193	D	63.5	Low	48.2	Very low	86 Å²	86	79.6 Å²	79.6	46%	0.46	46%	0.456	S	S	.	.	H	α-helix	trans	-58.2	-42.4	175	-61.5	-30.5	0	0	0	112.5	I191 I196 A197 Y217	I191-D193 HydrophobicContact CG2-CB 4.16Å; I191-D193 PolarHBondContact O-N 3.26Å; D193-I196 PolarHBondContact O-N 3.22Å; D193-A197 VanDerWaalsContact O-CB 3.22Å; D193-A197 WeakPolarHBondContact O-CB 3.48Å; D193-A197 PolarHBondContact O-N 2.52Å; D193-Y217 PolarHBondContact OD1-OH 2.64Å
194	A	61	Low	49.8	Very low	51 Å²	51	77.3 Å²	77.3	42%	0.421	45%	0.453	S	S	.	.	H	α-helix	trans	-69.7	-35.2	177.4	0	0	0	0	0	111.8	I190 I191 I192 A198	I190-A194 HydrophobicContact CG2-CB 3.93Å; I191-A194 HydrophobicContact CB-CB 4.46Å; I191-A194 WeakPolarHBondContact O-CA 3.3Å; I191-A194 WeakPolarHBondContact O-CB 3.35Å; I191-A194 PolarHBondContact O-N 3.26Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.8Å; A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 2.73Å
195	A	60.8	Low	51.7	Low	42 Å²	42	75.6 Å²	75.6	35%	0.347	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-44.5	173.5	0	0	0	0	0	110.9	I190 I191 I192 A198 F199	I190-A195 HydrophobicContact CB-CB 4.44Å; I190-A195 HydrophobicContact CG2-CB 3.57Å; I190-A195 VanDerWaalsContact CG2-N 3.28Å; I191-A195 PolarHBondContact O-N 3.12Å; I192-A195 WeakPolarHBondContact O-CB 3.21Å; I192-A195 PolarHBondContact O-N 3.21Å; I192-A195 VanDerWaalsContact O-N 3.15Å; A195-A198 PolarHBondContact O-N 3.04Å; A195-F199 WeakPolarHBondContact O-CB 3.4Å; A195-F199 PolarHBondContact O-N 3.11Å
196	I	64.3	Low	53.8	Low	19 Å²	19	71.7 Å²	71.7	10%	0.097	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-46.3	176.9	-69	165.9	0	0	0	110.1	I192 D193 A198 F199 V200 L213 Y217 P227	I192-I196 HydrophobicContact CG1-CD1 3.82Å; I192-I196 HydrophobicContact CG1-CG1 4.4Å; I192-I196 WeakPolarHBondContact O-CG1 3.3Å; I192-I196 PolarHBondContact O-N 2.79Å; D193-I196 PolarHBondContact O-N 3.22Å; I196-A198 VanDerWaalsContact C-N 3.35Å; I196-A198 PolarHBondContact O-N 3.47Å; I196-F199 CarbonylContact O-C 3.57Å; I196-F199 WeakPolarHBondContact O-CA 3.37Å; I196-F199 WeakPolarHBondContact O-CB 2.99Å; I196-F199 PolarHBondContact O-N 2.85Å; I196-F199 VanDerWaalsContact O-N 3.1Å; I196-V200 HydrophobicContact CG2-CG2 4.15Å; I196-V200 WeakPolarHBondContact O-CG2 3.23Å; I196-V200 PolarHBondContact O-N 3.28Å; I196-L213 HydrophobicContact CD1-CD2 3.68Å; I196-L213 HydrophobicContact CG1-CD2 4.06Å; I196-L213 HydrophobicContact CG2-CD2 4.41Å; I196-Y217 HydrophobicContact CD1-CD2 4.44Å; I196-Y217 HydrophobicContact CD1-CE2 3.45Å; I196-Y217 VanDerWaalsContact CD1-CE2 3.45Å; I196-P227 HydrophobicContact CD1-CG 4.38Å
197	A	65.9	Low	55.9	Low	58 Å²	58	63.5 Å²	63.5	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-41.6	177.5	0	0	0	0	0	112.1	D193 F199 V200 S201	D193-A197 VanDerWaalsContact O-CB 3.22Å; D193-A197 WeakPolarHBondContact O-CB 3.48Å; D193-A197 PolarHBondContact O-N 2.52Å; A197-F199 VanDerWaalsContact C-N 3.31Å; A197-F199 PolarHBondContact O-N 3.39Å; A197-V200 PolarHBondContact O-N 3.14Å; A197-S201 VanDerWaalsContact O-CB 3.29Å; A197-S201 WeakPolarHBondContact O-CB 2.94Å; A197-S201 PolarHBondContact O-N 2.57Å
198	A	59.2	Low	57.9	Low	53 Å²	53	60.4 Å²	60.4	44%	0.438	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-41	173.3	0	0	0	0	0	111.3	A194 A195 I196 A202	A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 2.73Å; A195-A198 PolarHBondContact O-N 3.04Å; I196-A198 VanDerWaalsContact C-N 3.35Å; I196-A198 PolarHBondContact O-N 3.47Å; A198-A202 VanDerWaalsContact O-CB 3.25Å; A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.1Å
199	F	59.9	Low	59.6	Low	71 Å²	71	57.1 Å²	57.1	31%	0.311	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-42.4	176.4	-167.2	-86.5	0	0	0	112.6	L129 A195 I196 A197 A202 R203 I207	L129-F199 HydrophobicContact CD1-CE1 3.98Å; L129-F199 HydrophobicContact CD1-CZ 3.85Å; A195-F199 WeakPolarHBondContact O-CB 3.4Å; A195-F199 PolarHBondContact O-N 3.11Å; I196-F199 CarbonylContact O-C 3.57Å; I196-F199 WeakPolarHBondContact O-CA 3.37Å; I196-F199 WeakPolarHBondContact O-CB 2.99Å; I196-F199 PolarHBondContact O-N 2.85Å; I196-F199 VanDerWaalsContact O-N 3.1Å; A197-F199 VanDerWaalsContact C-N 3.31Å; A197-F199 PolarHBondContact O-N 3.39Å; F199-A202 PolarHBondContact O-N 2.9Å; F199-R203 HydrophobicContact CE1-CB 4.27Å; F199-R203 WeakPolarHBondContact O-CA 3.42Å; F199-R203 WeakPolarHBondContact O-CB 3.37Å; F199-R203 PolarHBondContact O-N 3.38Å; F199-I207 HydrophobicContact CD1-CB 4.5Å; F199-I207 HydrophobicContact CD1-CD1 4.38Å; F199-I207 HydrophobicContact CD1-CG1 3.43Å; F199-I207 VanDerWaalsContact CD1-CG1 3.43Å; F199-I207 HydrophobicContact CE1-CG1 3.64Å; F199-I207 HydrophobicContact CG-CD1 4.42Å; F199-I207 HydrophobicContact CG-CG1 3.93Å; F199-I207 HydrophobicContact CZ-CG1 4.28Å
200	V	62.5	Low	62	Low	57 Å²	57	53.4 Å²	53.4	35%	0.345	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-46.4	175	171.7	0	0	0	0	110.4	I196 A197 R203 P204	I196-V200 HydrophobicContact CG2-CG2 4.15Å; I196-V200 WeakPolarHBondContact O-CG2 3.23Å; I196-V200 PolarHBondContact O-N 3.28Å; A197-V200 PolarHBondContact O-N 3.14Å; V200-R203 CarbonylContact O-C 3.48Å; V200-R203 VanDerWaalsContact O-C 3.26Å; V200-R203 PolarHBondContact O-N 3.23Å; V200-P204 WeakPolarHBondContact O-CA 3.23Å; V200-P204 WeakPolarHBondContact O-CD 3.4Å
201	S	59.6	Low	63.4	Low	89 Å²	89	53.3 Å²	53.3	62%	0.622	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-42.5	177.7	-176.1	0	0	0	0	112.2	A197	A197-S201 VanDerWaalsContact O-CB 3.29Å; A197-S201 WeakPolarHBondContact O-CB 2.94Å; A197-S201 PolarHBondContact O-N 2.57Å
202	A	51.1	Low	64.1	Low	56 Å²	56	52 Å²	52	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-73.4	-30.4	177.8	0	0	0	0	0	113.2	A198 F199	A198-A202 VanDerWaalsContact O-CB 3.25Å; A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.1Å; F199-A202 PolarHBondContact O-N 2.9Å
203	R	53.8	Low	64.7	Low	78 Å²	78	51.6 Å²	51.6	29%	0.294	31%	0.306	S	S	.	.	S	Bend	trans	-146.3	78.5	-173.6	-167.6	-173.9	-174.5	160.5	7.1	111.4	F199 V200 G206	F199-R203 HydrophobicContact CE1-CB 4.27Å; F199-R203 WeakPolarHBondContact O-CA 3.42Å; F199-R203 WeakPolarHBondContact O-CB 3.37Å; F199-R203 PolarHBondContact O-N 3.38Å; V200-R203 CarbonylContact O-C 3.48Å; V200-R203 VanDerWaalsContact O-C 3.26Å; V200-R203 PolarHBondContact O-N 3.23Å; R203-G206 VanDerWaalsContact O-CA 3.28Å; R203-G206 WeakPolarHBondContact O-CA 3.42Å; R203-G206 PolarHBondContact O-N 3.38Å
204	P	59.2	Low	65.3	Low	95 Å²	95	52.3 Å²	52.3	62%	0.617	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	136.2	172.8	-25.7	34.6	0	0	0	111.3	V200	V200-P204 WeakPolarHBondContact O-CA 3.23Å; V200-P204 WeakPolarHBondContact O-CD 3.4Å
205	P	65.9	Low	65.4	Low	37 Å²	37	50.6 Å²	50.6	24%	0.24	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.3	3.4	7	38	-35.2	0	0	0	113.8	P230 E231 P233	P205-P230 HydrophobicContact CB-CB 3.89Å; P205-P230 HydrophobicContact CB-CG 4.15Å; P205-P230 HydrophobicContact CG-CB 4.28Å; P205-P230 HydrophobicContact CG-CG 4.23Å; P205-P230 WeakPolarHBondContact O-CG 3.33Å; P205-E231 WeakPolarHBondContact CG-O 3.49Å; P205-P233 HydrophobicContact CG-CB 4.22Å; P205-P233 HydrophobicContact CG-CG 4.05Å
206	G	68.7	Low	65.7	Low	1 Å²	1	50.7 Å²	50.7	1%	0.01	28%	0.283	C	S	.	.			trans	113.1	-153.4	-178.6	0	0	0	0	0	113.1	R203 Y208	R203-G206 VanDerWaalsContact O-CA 3.28Å; R203-G206 WeakPolarHBondContact O-CA 3.42Å; R203-G206 PolarHBondContact O-N 3.38Å; G206-Y208 PolarHBondContact O-N 3.21Å
207	I	70.3	Confident	66.4	Low	19 Å²	19	50.1 Å²	50.1	10%	0.097	28%	0.28	C	S	.	.			trans	-77	89.8	176.6	-54.5	179.4	0	0	0	108.4	F199 K209 Y212 L213 L216 P230	F199-I207 HydrophobicContact CD1-CB 4.5Å; F199-I207 HydrophobicContact CD1-CD1 4.38Å; F199-I207 HydrophobicContact CD1-CG1 3.43Å; F199-I207 VanDerWaalsContact CD1-CG1 3.43Å; F199-I207 HydrophobicContact CE1-CG1 3.64Å; F199-I207 HydrophobicContact CG-CD1 4.42Å; F199-I207 HydrophobicContact CG-CG1 3.93Å; F199-I207 HydrophobicContact CZ-CG1 4.28Å; I207-K209 PolarHBondContact O-N 3.03Å; I207-Y212 HydrophobicContact CG2-CD2 4.25Å; I207-Y212 HydrophobicContact CG2-CG 4.44Å; I207-L213 HydrophobicContact CB-CD2 3.92Å; I207-L213 HydrophobicContact CB-CG 4.28Å; I207-L213 HydrophobicContact CD1-CD2 4.36Å; I207-L213 HydrophobicContact CG2-CD2 4.12Å; I207-L213 HydrophobicContact CG2-CG 4.08Å; I207-L216 HydrophobicContact CD1-CD1 3.5Å; I207-P230 WeakPolarHBondContact O-CD 3.31Å
208	Y	70.1	Confident	66.7	Low	12 Å²	12	53.4 Å²	53.4	5%	0.047	28%	0.28	C	S	.	.			trans	-80.8	11.6	-176.8	58.2	-112.2	0	0	0	114.7	L129 L131 G206 L232	L129-Y208 VanDerWaalsContact C-OH 3.24Å; L129-Y208 HydrophobicContact CB-CE1 4.04Å; L129-Y208 HydrophobicContact CB-CE2 4.43Å; L129-Y208 WeakPolarHBondContact CB-OH 3.42Å; L129-Y208 HydrophobicContact CD1-CD1 4.43Å; L129-Y208 HydrophobicContact CD1-CE1 4.02Å; L129-Y208 HydrophobicContact CD2-CD1 4.31Å; L129-Y208 HydrophobicContact CD2-CD2 3.94Å; L129-Y208 HydrophobicContact CD2-CE1 3.88Å; L129-Y208 HydrophobicContact CD2-CE2 3.35Å; L129-Y208 HydrophobicContact CD2-CG 4.39Å; L129-Y208 VanDerWaalsContact CD2-CZ 3.42Å; L129-Y208 HydrophobicContact CG-CE1 4.19Å; L129-Y208 HydrophobicContact CG-CE2 4.38Å; L129-Y208 PolarHBondContact O-OH 2.98Å; L131-Y208 HydrophobicContact CD1-CD2 4.32Å; L131-Y208 HydrophobicContact CD1-CE2 3.62Å; L131-Y208 WeakPolarHBondContact CD1-OH 3.37Å; L131-Y208 HydrophobicContact CD2-CD2 3.76Å; L131-Y208 HydrophobicContact CD2-CE2 3.37Å; L131-Y208 HydrophobicContact CG-CD2 4.14Å; L131-Y208 HydrophobicContact CG-CE2 3.29Å; L131-Y208 WeakPolarHBondContact CG-OH 3.45Å; G206-Y208 PolarHBondContact O-N 3.21Å; Y208-L232 HydrophobicContact CD2-CD2 3.44Å; Y208-L232 VanDerWaalsContact CD2-CD2 3.44Å; Y208-L232 HydrophobicContact CE2-CD2 4.06Å; Y208-L232 HydrophobicContact CG-CD2 3.85Å
209	K	63.8	Low	66.6	Low	28 Å²	28	54 Å²	54	12%	0.122	27%	0.271	C	S	.	.			trans	-107	115.5	176.9	-75.8	-173.2	169.8	-157.5	0	110.2	L129 L130 I207 E211 Y212 L213	L129-K209 HydrophobicContact CD2-CD 4.04Å; L129-K209 HydrophobicContact CD2-CG 4.02Å; L130-K209 WeakPolarHBondContact O-CE 3.46Å; L130-K209 PolarHBondContact O-NZ 3.31Å; I207-K209 PolarHBondContact O-N 3.03Å; K209-E211 VanDerWaalsContact C-N 3.27Å; K209-E211 WeakPolarHBondContact CD-OE1 3.36Å; K209-E211 PolarHBondContact O-N 2.97Å; K209-Y212 HydrophobicContact CB-CD1 4.25Å; K209-Y212 HydrophobicContact CB-CD2 4.06Å; K209-Y212 HydrophobicContact CB-CG 3.88Å; K209-Y212 HydrophobicContact CD-CD1 4.28Å; K209-Y212 HydrophobicContact CD-CD2 4.03Å; K209-Y212 HydrophobicContact CD-CE1 3.91Å; K209-Y212 HydrophobicContact CD-CE2 3.69Å; K209-Y212 HydrophobicContact CD-CG 4.31Å; K209-Y212 WeakPolarHBondContact O-CB 3.27Å; K209-Y212 PolarHBondContact O-N 2.69Å; K209-L213 PolarHBondContact O-N 3.21Å
210	Q	81.8	Confident	66.8	Low	42 Å²	42	54.3 Å²	54.3	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-39.3	-177.7	-169.7	63.5	47.6	0	0	112	Y212 L213 K214 P227 A229	Q210-Y212 PolarHBondContact O-N 2.64Å; Q210-L213 PolarHBondContact O-N 3.19Å; Q210-K214 HydrophobicContact CG-CD 3.99Å; Q210-K214 HydrophobicContact CG-CG 4.21Å; Q210-K214 WeakPolarHBondContact O-CB 3.3Å; Q210-K214 WeakPolarHBondContact O-CG 3.25Å; Q210-K214 PolarHBondContact O-N 3.43Å; Q210-P227 PolarHBondContact NE2-O 2.65Å; Q210-A229 HydrophobicContact CB-CB 4.27Å
211	E	72.7	Confident	67.2	Low	103 Å²	103	55.4 Å²	55.4	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-32.4	177.9	63.6	-85.4	-178.6	0	0	112.3	K209 E215	K209-E211 VanDerWaalsContact C-N 3.27Å; K209-E211 WeakPolarHBondContact CD-OE1 3.36Å; K209-E211 PolarHBondContact O-N 2.97Å; E211-E215 WeakPolarHBondContact O-CB 3.21Å; E211-E215 PolarHBondContact O-N 2.89Å
212	Y	69.1	Low	68	Low	85 Å²	85	54.8 Å²	54.8	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-73.2	-39.9	178.2	-70.2	7.9	0	0	0	111.1	L129 I207 K209 Q210 E215 L216	L129-Y212 HydrophobicContact CD2-CE2 4.37Å; I207-Y212 HydrophobicContact CG2-CD2 4.25Å; I207-Y212 HydrophobicContact CG2-CG 4.44Å; K209-Y212 HydrophobicContact CB-CD1 4.25Å; K209-Y212 HydrophobicContact CB-CD2 4.06Å; K209-Y212 HydrophobicContact CB-CG 3.88Å; K209-Y212 HydrophobicContact CD-CD1 4.28Å; K209-Y212 HydrophobicContact CD-CD2 4.03Å; K209-Y212 HydrophobicContact CD-CE1 3.91Å; K209-Y212 HydrophobicContact CD-CE2 3.69Å; K209-Y212 HydrophobicContact CD-CG 4.31Å; K209-Y212 WeakPolarHBondContact O-CB 3.27Å; K209-Y212 PolarHBondContact O-N 2.69Å; Q210-Y212 PolarHBondContact O-N 2.64Å; Y212-E215 PolarHBondContact O-N 3Å; Y212-L216 WeakPolarHBondContact O-CB 3.29Å; Y212-L216 VanDerWaalsContact O-CG 3.25Å; Y212-L216 WeakPolarHBondContact O-CG 3.41Å; Y212-L216 PolarHBondContact O-N 2.66Å
213	L	75.9	Confident	69.5	Low	2 Å²	2	54.8 Å²	54.8	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-53.3	173.4	-68.9	174.1	0	0	0	110.8	I196 I207 K209 Q210 E215 L216 Y217 P227 A229	I196-L213 HydrophobicContact CD1-CD2 3.68Å; I196-L213 HydrophobicContact CG1-CD2 4.06Å; I196-L213 HydrophobicContact CG2-CD2 4.41Å; I207-L213 HydrophobicContact CB-CD2 3.92Å; I207-L213 HydrophobicContact CB-CG 4.28Å; I207-L213 HydrophobicContact CD1-CD2 4.36Å; I207-L213 HydrophobicContact CG2-CD2 4.12Å; I207-L213 HydrophobicContact CG2-CG 4.08Å; K209-L213 PolarHBondContact O-N 3.21Å; Q210-L213 PolarHBondContact O-N 3.19Å; L213-E215 PolarHBondContact O-N 2.87Å; L213-E215 VanDerWaalsContact O-N 3.13Å; L213-L216 PolarHBondContact O-N 2.96Å; L213-L216 VanDerWaalsContact O-N 3.08Å; L213-Y217 VanDerWaalsContact O-CD2 3.3Å; L213-Y217 WeakPolarHBondContact O-CD2 3.36Å; L213-Y217 PolarHBondContact O-N 3.32Å; L213-P227 HydrophobicContact CD1-CG 4.35Å; L213-P227 WeakPolarHBondContact CD1-O 3.4Å; L213-P227 HydrophobicContact CD2-CG 4.43Å; L213-A229 VanDerWaalsContact CD1-CA 3.49Å; L213-A229 HydrophobicContact CD1-CB 3.9Å
214	K	76.3	Confident	70.9	Confident	100 Å²	100	54.9 Å²	54.9	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-55.1	-35.9	176.8	-75.7	-178.9	175.9	178.2	0	112.3	Q210 R218 V223 A226	Q210-K214 HydrophobicContact CG-CD 3.99Å; Q210-K214 HydrophobicContact CG-CG 4.21Å; Q210-K214 WeakPolarHBondContact O-CB 3.3Å; Q210-K214 WeakPolarHBondContact O-CG 3.25Å; Q210-K214 PolarHBondContact O-N 3.43Å; K214-R218 WeakPolarHBondContact O-CB 3.27Å; K214-R218 PolarHBondContact O-N 2.65Å; K214-V223 HydrophobicContact CB-CG2 4.07Å; K214-V223 HydrophobicContact CG-CG2 4.29Å; K214-A226 HydrophobicContact CG-CB 4.07Å
215	E	62.2	Low	72.1	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-73.5	-42.3	178.2	-176.2	63.9	178.9	0	0	113.1	W146 H150 E211 Y212 L213 Y217 R218 R219	W146-E215 WeakPolarHBondContact CH2-OE2 3.42Å; H150-E215 IonicContact CD2-OE1 2.72Å; H150-E215 IonicContact CE1-OE1 3.48Å; H150-E215 PolarHBondContact CE1-OE1 2.87Å; H150-E215 IonicContact NE2-OE1 2.77Å; H150-E215 PolarHBondContact NE2-OE1 3.24Å; E211-E215 WeakPolarHBondContact O-CB 3.21Å; E211-E215 PolarHBondContact O-N 2.89Å; Y212-E215 PolarHBondContact O-N 3Å; L213-E215 PolarHBondContact O-N 2.87Å; L213-E215 VanDerWaalsContact O-N 3.13Å; E215-Y217 VanDerWaalsContact C-N 3.3Å; E215-Y217 PolarHBondContact O-N 3.19Å; E215-R218 PolarHBondContact O-N 3.46Å; E215-R218 IonicContact OE2-CZ 2.73Å; E215-R218 IonicContact OE2-NH1 2.74Å; E215-R218 PolarHBondContact OE2-NH1 3.41Å; E215-R219 VanDerWaalsContact O-CG 3.3Å; E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.75Å; E215-R219 IonicContact OE1-CZ 2.89Å; E215-R219 VanDerWaalsContact OE1-CZ 3.26Å; E215-R219 IonicContact OE1-NE 3.37Å; E215-R219 PolarHBondContact OE1-NE 2.99Å; E215-R219 IonicContact OE1-NH2 3.67Å; E215-R219 PolarHBondContact OE1-NH2 3.05Å
216	L	67.8	Low	72.9	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-46.9	172.3	-72.5	168.1	0	0	0	110	I192 I207 Y212 L213 R219 Y220	I192-L216 HydrophobicContact CD1-CB 3.45Å; I192-L216 VanDerWaalsContact CD1-CB 3.45Å; I192-L216 VanDerWaalsContact CD1-O 3.29Å; I192-L216 WeakPolarHBondContact CD1-O 3.4Å; I192-L216 HydrophobicContact CG1-CB 4.23Å; I207-L216 HydrophobicContact CD1-CD1 3.5Å; Y212-L216 WeakPolarHBondContact O-CB 3.29Å; Y212-L216 VanDerWaalsContact O-CG 3.25Å; Y212-L216 WeakPolarHBondContact O-CG 3.41Å; Y212-L216 PolarHBondContact O-N 2.66Å; L213-L216 PolarHBondContact O-N 2.96Å; L213-L216 VanDerWaalsContact O-N 3.08Å; L216-R219 PolarHBondContact O-N 3.49Å; L216-Y220 HydrophobicContact CD2-CD2 4.29Å; L216-Y220 HydrophobicContact CD2-CE2 4.21Å; L216-Y220 VanDerWaalsContact O-CD2 3.3Å; L216-Y220 WeakPolarHBondContact O-CD2 3.44Å; L216-Y220 PolarHBondContact O-N 3.09Å
217	Y	77.9	Confident	73.7	Confident	6 Å²	6	58.6 Å²	58.6	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-44.5	177.9	-80.7	-103.8	0	0	0	110.9	I192 D193 I196 L213 E215 R219 Y220 D221 D222 F225 A226 P227	I192-Y217 HydrophobicContact CD1-CD1 4.23Å; I192-Y217 HydrophobicContact CD1-CD2 3.31Å; I192-Y217 HydrophobicContact CD1-CE1 4.44Å; I192-Y217 HydrophobicContact CD1-CE2 3.56Å; I192-Y217 HydrophobicContact CD1-CG 3.67Å; I192-Y217 HydrophobicContact CG1-CD2 4.14Å; I192-Y217 HydrophobicContact CG1-CE2 3.86Å; I192-Y217 HydrophobicContact CG2-CD1 4.2Å; I192-Y217 HydrophobicContact CG2-CE1 3.65Å; I192-Y217 HydrophobicContact CG2-CE2 4.18Å; D193-Y217 PolarHBondContact OD1-OH 2.64Å; I196-Y217 HydrophobicContact CD1-CD2 4.44Å; I196-Y217 HydrophobicContact CD1-CE2 3.45Å; I196-Y217 VanDerWaalsContact CD1-CE2 3.45Å; L213-Y217 VanDerWaalsContact O-CD2 3.3Å; L213-Y217 WeakPolarHBondContact O-CD2 3.36Å; L213-Y217 PolarHBondContact O-N 3.32Å; E215-Y217 VanDerWaalsContact C-N 3.3Å; E215-Y217 PolarHBondContact O-N 3.19Å; Y217-R219 PolarHBondContact O-N 2.7Å; Y217-Y220 PolarHBondContact O-N 3.34Å; Y217-D221 HydrophobicContact CD1-CB 3.75Å; Y217-D221 HydrophobicContact CE1-CB 4.35Å; Y217-D221 HydrophobicContact CG-CB 4.36Å; Y217-D221 CarbonylContact O-C 3.59Å; Y217-D221 VanDerWaalsContact O-CA 3.3Å; Y217-D221 WeakPolarHBondContact O-CA 2.98Å; Y217-D221 PolarHBondContact O-N 3.04Å; Y217-D222 WeakPolarHBondContact CD1-O 3.26Å; Y217-F225 HydrophobicContact CD1-CB 4.17Å; Y217-F225 HydrophobicContact CE1-CB 4.13Å; Y217-F225 VanDerWaalsContact CE1-O 3.3Å; Y217-F225 WeakPolarHBondContact CE1-O 3.42Å; Y217-A226 HydrophobicContact CD1-CB 4.36Å; Y217-A226 HydrophobicContact CD2-CB 3.74Å; Y217-A226 HydrophobicContact CE2-CB 4.42Å; Y217-A226 HydrophobicContact CG-CB 3.7Å; Y217-P227 HydrophobicContact CE2-CG 4Å; Y217-P227 VanDerWaalsContact OH-CD 3.22Å; Y217-P227 WeakPolarHBondContact OH-CD 3.35Å
218	R	72.8	Confident	74.4	Confident	128 Å²	128	64.5 Å²	64.5	48%	0.483	32%	0.318	S	S	.	.	H	α-helix	trans	-52.2	-34.6	174.4	177.8	-177.5	-72.3	101.6	4.8	113	K214 E215 V223	K214-R218 WeakPolarHBondContact O-CB 3.27Å; K214-R218 PolarHBondContact O-N 2.65Å; E215-R218 PolarHBondContact O-N 3.46Å; E215-R218 IonicContact OE2-CZ 2.73Å; E215-R218 IonicContact OE2-NH1 2.74Å; E215-R218 PolarHBondContact OE2-NH1 3.41Å; R218-V223 HydrophobicContact CB-CB 4.41Å
219	R	58.3	Low	74.9	Confident	65 Å²	65	65.1 Å²	65.1	25%	0.245	33%	0.326	C	S	.	.	H	α-helix	trans	-87.6	-38.8	-177.2	-68.9	-179.9	-165.2	-160.9	4.4	114.1	S149 H150 E215 L216 Y217	S149-R219 PolarHBondContact O-NH1 3.14Å; H150-R219 PolarHBondContact CD2-NE 2.87Å; H150-R219 PolarHBondContact CE1-NH2 2.84Å; H150-R219 PolarHBondContact ND1-NH2 2.84Å; H150-R219 PolarHBondContact NE2-NE 3.1Å; H150-R219 PolarHBondContact NE2-NH2 2.75Å; E215-R219 VanDerWaalsContact O-CG 3.3Å; E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.75Å; E215-R219 IonicContact OE1-CZ 2.89Å; E215-R219 VanDerWaalsContact OE1-CZ 3.26Å; E215-R219 IonicContact OE1-NE 3.37Å; E215-R219 PolarHBondContact OE1-NE 2.99Å; E215-R219 IonicContact OE1-NH2 3.67Å; E215-R219 PolarHBondContact OE1-NH2 3.05Å; L216-R219 PolarHBondContact O-N 3.49Å; Y217-R219 PolarHBondContact O-N 2.7Å
220	Y	63.2	Low	75.6	Confident	77 Å²	77	66 Å²	66	30%	0.302	33%	0.334	S	S	.	.	H	α-helix	trans	-117.1	-6.3	-168.2	-59.5	-64.9	0	0	0	114.2	L153 L216 Y217	L153-Y220 WeakPolarHBondContact CB-OH 3.16Å; L153-Y220 HydrophobicContact CD1-CE2 4.32Å; L153-Y220 HydrophobicContact CD2-CE2 4.44Å; L153-Y220 WeakPolarHBondContact CD2-OH 3.38Å; L216-Y220 HydrophobicContact CD2-CD2 4.29Å; L216-Y220 HydrophobicContact CD2-CE2 4.21Å; L216-Y220 VanDerWaalsContact O-CD2 3.3Å; L216-Y220 WeakPolarHBondContact O-CD2 3.44Å; L216-Y220 PolarHBondContact O-N 3.09Å; Y217-Y220 PolarHBondContact O-N 3.34Å
221	D	70.3	Confident	74.9	Confident	80 Å²	80	72.5 Å²	72.5	43%	0.428	37%	0.365	S	S	.	.	S	Bend	trans	-157.3	-157.8	-175.3	-146.1	-40.1	0	0	0	110.7	I192 Y217	I192-D221 HydrophobicContact CG2-CB 3.94Å; I192-D221 WeakPolarHBondContact CG2-OD2 3.41Å; Y217-D221 HydrophobicContact CD1-CB 3.75Å; Y217-D221 HydrophobicContact CE1-CB 4.35Å; Y217-D221 HydrophobicContact CG-CB 4.36Å; Y217-D221 CarbonylContact O-C 3.59Å; Y217-D221 VanDerWaalsContact O-CA 3.3Å; Y217-D221 WeakPolarHBondContact O-CA 2.98Å; Y217-D221 PolarHBondContact O-N 3.04Å
222	D	77.4	Confident	74.5	Confident	76 Å²	76	70.6 Å²	70.6	41%	0.406	36%	0.357	S	S	.	.			trans	-97.2	123.1	170.6	176.8	-2	0	0	0	110.8	Y217 A224 F225	Y217-D222 WeakPolarHBondContact CD1-O 3.26Å; D222-A224 PolarHBondContact O-N 2.82Å; D222-A224 VanDerWaalsContact OD1-CB 3.28Å; D222-A224 WeakPolarHBondContact OD1-CB 3.47Å; D222-A224 PolarHBondContact OD1-N 2.85Å; D222-F225 HydrophobicContact CB-CD2 3.71Å; D222-F225 HydrophobicContact CB-CE2 4.12Å; D222-F225 PolarHBondContact O-N 2.74Å
223	V	83	Confident	74	Confident	56 Å²	56	67.5 Å²	67.5	34%	0.339	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-55.9	-23.9	178.8	70.9	0	0	0	0	113.4	K214 R218 F225 A226	K214-V223 HydrophobicContact CB-CG2 4.07Å; K214-V223 HydrophobicContact CG-CG2 4.29Å; R218-V223 HydrophobicContact CB-CB 4.41Å; V223-F225 PolarHBondContact O-N 2.87Å; V223-A226 WeakPolarHBondContact O-CB 3.45Å; V223-A226 PolarHBondContact O-N 3.31Å
224	A	82.8	Confident	73	Confident	81 Å²	81	73.6 Å²	73.6	67%	0.669	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-64.6	-23.7	174.8	0	0	0	0	0	112.9	D222	D222-A224 PolarHBondContact O-N 2.82Å; D222-A224 VanDerWaalsContact OD1-CB 3.28Å; D222-A224 WeakPolarHBondContact OD1-CB 3.47Å; D222-A224 PolarHBondContact OD1-N 2.85Å
225	F	83.8	Confident	72.1	Confident	145 Å²	145	75.7 Å²	75.7	64%	0.636	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-98.3	4.5	178.2	-63.1	-89.6	0	0	0	113.3	Y217 D222 V223 P227	Y217-F225 HydrophobicContact CD1-CB 4.17Å; Y217-F225 HydrophobicContact CE1-CB 4.13Å; Y217-F225 VanDerWaalsContact CE1-O 3.3Å; Y217-F225 WeakPolarHBondContact CE1-O 3.42Å; D222-F225 HydrophobicContact CB-CD2 3.71Å; D222-F225 HydrophobicContact CB-CE2 4.12Å; D222-F225 PolarHBondContact O-N 2.74Å; V223-F225 PolarHBondContact O-N 2.87Å; F225-P227 WeakPolarHBondContact O-CD 3.42Å
226	A	83.1	Confident	71.8	Confident	16 Å²	16	76.2 Å²	76.2	13%	0.132	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-60.1	121.3	177.2	0	0	0	0	0	110.2	K214 Y217 V223	K214-A226 HydrophobicContact CG-CB 4.07Å; Y217-A226 HydrophobicContact CD1-CB 4.36Å; Y217-A226 HydrophobicContact CD2-CB 3.74Å; Y217-A226 HydrophobicContact CE2-CB 4.42Å; Y217-A226 HydrophobicContact CG-CB 3.7Å; V223-A226 WeakPolarHBondContact O-CB 3.45Å; V223-A226 PolarHBondContact O-N 3.31Å
227	P	84.7	Confident	71.7	Confident	49 Å²	49	76.1 Å²	76.1	32%	0.318	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.9	-179.4	28.1	-32.5	0	0	0	109.1	I196 Q210 L213 Y217 F225	I196-P227 HydrophobicContact CD1-CG 4.38Å; Q210-P227 PolarHBondContact NE2-O 2.65Å; L213-P227 HydrophobicContact CD1-CG 4.35Å; L213-P227 WeakPolarHBondContact CD1-O 3.4Å; L213-P227 HydrophobicContact CD2-CG 4.43Å; Y217-P227 HydrophobicContact CE2-CG 4Å; Y217-P227 VanDerWaalsContact OH-CD 3.22Å; Y217-P227 WeakPolarHBondContact OH-CD 3.35Å; F225-P227 WeakPolarHBondContact O-CD 3.42Å
228	D	85.5	Confident	71.3	Confident	143 Å²	143	82.2 Å²	82.2	77%	0.765	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.9	138.5	169.6	-71.3	-40	0	0	0	109.7
229	A	81.8	Confident	71.4	Confident	26 Å²	26	79.5 Å²	79.5	22%	0.215	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-61.4	135.3	175.5	0	0	0	0	0	109.8	Q210 L213	Q210-A229 HydrophobicContact CB-CB 4.27Å; L213-A229 VanDerWaalsContact CD1-CA 3.49Å; L213-A229 HydrophobicContact CD1-CB 3.9Å
230	P	76.7	Confident	72.4	Confident	45 Å²	45	77.9 Å²	77.9	29%	0.292	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-60.6	155.3	174.4	26.5	-35.7	0	0	0	110.9	P205 I207	P205-P230 HydrophobicContact CB-CB 3.89Å; P205-P230 HydrophobicContact CB-CG 4.15Å; P205-P230 HydrophobicContact CG-CB 4.28Å; P205-P230 HydrophobicContact CG-CG 4.23Å; P205-P230 WeakPolarHBondContact O-CG 3.33Å; I207-P230 WeakPolarHBondContact O-CD 3.31Å
231	E	68.2	Low	73.2	Confident	179 Å²	179	76.8 Å²	76.8	84%	0.836	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-55.2	146.8	175.4	-66.7	-170	162.7	0	0	111.5	P205	P205-E231 WeakPolarHBondContact CG-O 3.49Å
232	L	64.6	Low	73.9	Confident	63 Å²	63	77 Å²	77	33%	0.33	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-60.6	128.3	175.6	-61.4	179.7	0	0	0	109	L131 Y208 C236 L237	L131-L232 HydrophobicContact CD1-CD1 4.29Å; L131-L232 HydrophobicContact CD1-CD2 3.69Å; L131-L232 HydrophobicContact CD1-CG 4.44Å; L131-L232 HydrophobicContact CD2-CD1 3.88Å; L131-L232 HydrophobicContact CD2-CD2 3.24Å; L131-L232 HydrophobicContact CD2-CG 4.21Å; L131-L232 HydrophobicContact CG-CD2 4.05Å; Y208-L232 HydrophobicContact CD2-CD2 3.44Å; Y208-L232 VanDerWaalsContact CD2-CD2 3.44Å; Y208-L232 HydrophobicContact CE2-CD2 4.06Å; Y208-L232 HydrophobicContact CG-CD2 3.85Å; L232-C236 HydrophobicContact CB-CB 4.26Å; L232-L237 HydrophobicContact CB-CD1 4.42Å; L232-L237 HydrophobicContact CB-CD2 4.12Å; L232-L237 HydrophobicContact CB-CG 4.16Å; L232-L237 HydrophobicContact CD1-CD2 3.96Å
233	P	58	Low	74.4	Confident	21 Å²	21	73.4 Å²	73.4	14%	0.136	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-64.5	147.5	-180	25	-30	0	0	0	110.5	P205 W235 C236	P205-P233 HydrophobicContact CG-CB 4.22Å; P205-P233 HydrophobicContact CG-CG 4.05Å; P233-W235 HydrophobicContact CG-CD2 4.4Å; P233-W235 HydrophobicContact CG-CZ2 3.64Å; P233-W235 PolarHBondContact O-N 2.71Å; P233-C236 WeakPolarHBondContact O-CA 3.48Å; P233-C236 WeakPolarHBondContact O-CB 3.31Å; P233-C236 PolarHBondContact O-N 3.05Å
234	E	55.9	Low	74.6	Confident	129 Å²	129	74 Å²	74	60%	0.603	38%	0.382	S	S	*	.	H	α-helix	trans	-51	-36.9	-168.2	-171.4	59.1	-147.5	0	0	114.2	C236 L237 E238 N241	E234-C236 PolarHBondContact O-N 2.69Å; E234-L237 CarbonylContact O-C 3.53Å; E234-L237 WeakPolarHBondContact O-CA 3.48Å; E234-L237 WeakPolarHBondContact O-CB 3.44Å; E234-L237 PolarHBondContact O-N 3.3Å; E234-E238 PolarHBondContact O-N 2.68Å; E234-N241 PolarHBondContact OE1-ND2 3.22Å
235	W	55.5	Low	74.9	Confident	144 Å²	144	76.2 Å²	76.2	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-24.2	177.5	59.7	-96.1	0	0	0	113.7	P233 L237	P233-W235 HydrophobicContact CG-CD2 4.4Å; P233-W235 HydrophobicContact CG-CZ2 3.64Å; P233-W235 PolarHBondContact O-N 2.71Å; W235-L237 VanDerWaalsContact C-N 3.26Å
236	C	56.6	Low	75.1	Confident	27 Å²	27	69.7 Å²	69.7	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-71.9	-26.2	170.5	-68.7	0	0	0	0	112.1	L131 L232 P233 E234	L131-C236 HydrophobicContact CD1-CB 3.4Å; L131-C236 WeakPolarHBondContact CD1-SG 3.44Å; L232-C236 HydrophobicContact CB-CB 4.26Å; P233-C236 WeakPolarHBondContact O-CA 3.48Å; P233-C236 WeakPolarHBondContact O-CB 3.31Å; P233-C236 PolarHBondContact O-N 3.05Å; E234-C236 PolarHBondContact O-N 2.69Å
237	L	65	Low	75.4	Confident	43 Å²	43	69 Å²	69	23%	0.225	34%	0.343	C	S	.	.	H	α-helix	trans	-96.5	-14.1	-178.1	-59.1	178.6	0	0	0	112.1	L232 E234 W235 T239 V240 N241	L232-L237 HydrophobicContact CB-CD1 4.42Å; L232-L237 HydrophobicContact CB-CD2 4.12Å; L232-L237 HydrophobicContact CB-CG 4.16Å; L232-L237 HydrophobicContact CD1-CD2 3.96Å; E234-L237 CarbonylContact O-C 3.53Å; E234-L237 WeakPolarHBondContact O-CA 3.48Å; E234-L237 WeakPolarHBondContact O-CB 3.44Å; E234-L237 PolarHBondContact O-N 3.3Å; W235-L237 VanDerWaalsContact C-N 3.26Å; L237-T239 VanDerWaalsContact C-N 3.33Å; L237-T239 PolarHBondContact O-N 2.82Å; L237-V240 CarbonylContact O-C 3.59Å; L237-V240 WeakPolarHBondContact O-CA 3.3Å; L237-V240 WeakPolarHBondContact O-CB 3.31Å; L237-V240 PolarHBondContact O-N 3.25Å; L237-N241 WeakPolarHBondContact CB-ND2 3.1Å; L237-N241 VanDerWaalsContact O-CB 3.27Å; L237-N241 WeakPolarHBondContact O-CB 3.32Å; L237-N241 VanDerWaalsContact O-CG 3.3Å; L237-N241 PolarHBondContact O-N 2.8Å
238	E	70.8	Confident	75.6	Confident	133 Å²	133	69.8 Å²	69.8	62%	0.621	34%	0.34	S	S	*	.	H	α-helix	trans	-50.3	-48.8	-174.6	-172.6	-178.4	-175.5	0	0	113.1	E234 Y242	E234-E238 PolarHBondContact O-N 2.68Å; E238-Y242 WeakPolarHBondContact O-CB 3.11Å; E238-Y242 PolarHBondContact O-N 2.88Å
239	T	74.7	Confident	75.6	Confident	71 Å²	71	67.7 Å²	67.7	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-42	176.5	-61.6	0	0	0	0	111.8	L237 Y242 V243 F321	L237-T239 VanDerWaalsContact C-N 3.33Å; L237-T239 PolarHBondContact O-N 2.82Å; T239-Y242 PolarHBondContact O-N 3.01Å; T239-V243 HydrophobicContact CG2-CG2 4.34Å; T239-V243 WeakPolarHBondContact O-CB 3.41Å; T239-V243 WeakPolarHBondContact O-CG2 3.36Å; T239-V243 PolarHBondContact O-N 2.79Å; T239-F321 HydrophobicContact CG2-CD1 4.29Å; T239-F321 HydrophobicContact CG2-CE1 3.49Å; T239-F321 VanDerWaalsContact CG2-CE1 3.49Å; T239-F321 HydrophobicContact CG2-CZ 3.88Å
240	V	79.1	Confident	76	Confident	32 Å²	32	68 Å²	68	19%	0.194	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-45.3	179.4	175.8	0	0	0	0	110.6	L237 V243 R244 V329	L237-V240 CarbonylContact O-C 3.59Å; L237-V240 WeakPolarHBondContact O-CA 3.3Å; L237-V240 WeakPolarHBondContact O-CB 3.31Å; L237-V240 PolarHBondContact O-N 3.25Å; V240-V243 PolarHBondContact O-N 3.41Å; V240-R244 HydrophobicContact CG1-CG 4.42Å; V240-R244 VanDerWaalsContact CG1-CZ 3.46Å; V240-R244 VanDerWaalsContact O-CB 3.3Å; V240-R244 WeakPolarHBondContact O-CB 3.36Å; V240-R244 VanDerWaalsContact O-CG 3.24Å; V240-R244 WeakPolarHBondContact O-CG 3.42Å; V240-R244 PolarHBondContact O-N 3.32Å; V240-V329 HydrophobicContact CB-CG2 4.49Å; V240-V329 HydrophobicContact CG1-CB 4.29Å; V240-V329 HydrophobicContact CG1-CG2 3.86Å; V240-V329 HydrophobicContact CG2-CB 4.31Å
241	N	80.4	Confident	76.4	Confident	54 Å²	54	65.9 Å²	65.9	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-44.2	178.1	-72.1	-12.5	0	0	0	110.4	E234 L237 K245	E234-N241 PolarHBondContact OE1-ND2 3.22Å; L237-N241 WeakPolarHBondContact CB-ND2 3.1Å; L237-N241 VanDerWaalsContact O-CB 3.27Å; L237-N241 WeakPolarHBondContact O-CB 3.32Å; L237-N241 VanDerWaalsContact O-CG 3.3Å; L237-N241 PolarHBondContact O-N 2.8Å; N241-K245 WeakPolarHBondContact O-CB 3.25Å; N241-K245 PolarHBondContact O-N 2.97Å
242	Y	85.5	Confident	76.9	Confident	85 Å²	85	60.3 Å²	60.3	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-51.5	172.8	169.6	-107.2	0	0	0	111.9	E238 T239 K245 A246 F313 D315	E238-Y242 WeakPolarHBondContact O-CB 3.11Å; E238-Y242 PolarHBondContact O-N 2.88Å; T239-Y242 PolarHBondContact O-N 3.01Å; Y242-K245 PolarHBondContact O-N 3.31Å; Y242-A246 WeakPolarHBondContact O-CB 3.5Å; Y242-A246 PolarHBondContact O-N 3.14Å; Y242-F313 HydrophobicContact CD1-CE1 4.43Å; Y242-F313 AromaticContact CE1-CE1 3.59Å; Y242-F313 HydrophobicContact CE1-CE1 3.59Å; Y242-F313 HydrophobicContact CE1-CZ 4.32Å; Y242-F313 AromaticContact CZ-CE1 3.91Å; Y242-D315 PolarHBondContact OH-OD2 2.79Å
243	V	87.7	Confident	76.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-45.9	-178.9	170.6	0	0	0	0	111.4	T239 V240 K245 A246 C247 F313 F321 I323 V329	T239-V243 HydrophobicContact CG2-CG2 4.34Å; T239-V243 WeakPolarHBondContact O-CB 3.41Å; T239-V243 WeakPolarHBondContact O-CG2 3.36Å; T239-V243 PolarHBondContact O-N 2.79Å; V240-V243 PolarHBondContact O-N 3.41Å; V243-K245 PolarHBondContact O-N 3.02Å; V243-A246 PolarHBondContact O-N 2.92Å; V243-C247 PolarHBondContact O-N 3.34Å; V243-C247 PolarHBondContact O-SG 3.23Å; V243-F313 HydrophobicContact CG1-CD1 4.34Å; V243-F313 HydrophobicContact CG2-CD1 4.18Å; V243-F321 HydrophobicContact CG1-CB 3.94Å; V243-F321 HydrophobicContact CG1-CG 4.38Å; V243-F321 HydrophobicContact CG2-CB 4.01Å; V243-F321 HydrophobicContact CG2-CD1 3.82Å; V243-F321 HydrophobicContact CG2-CD2 3.6Å; V243-F321 HydrophobicContact CG2-CE1 4.19Å; V243-F321 HydrophobicContact CG2-CE2 3.97Å; V243-F321 HydrophobicContact CG2-CG 3.51Å; V243-F321 HydrophobicContact CG2-CZ 4.25Å; V243-I323 HydrophobicContact CG1-CD1 3.41Å; V243-I323 VanDerWaalsContact CG1-CD1 3.41Å; V243-I323 HydrophobicContact CG1-CG1 3.81Å; V243-V329 HydrophobicContact CB-CG1 4.11Å; V243-V329 HydrophobicContact CB-CG2 4.32Å; V243-V329 HydrophobicContact CG1-CG1 3.81Å; V243-V329 HydrophobicContact CG1-CG2 3.99Å; V243-V329 HydrophobicContact CG2-CG1 4.25Å
244	R	87.3	Confident	76.1	Confident	69 Å²	69	68.3 Å²	68.3	26%	0.26	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-43.2	176.1	-76.2	174.3	174.9	165.1	-3.9	111.7	V240 C247 R248 N327 V329	V240-R244 HydrophobicContact CG1-CG 4.42Å; V240-R244 VanDerWaalsContact CG1-CZ 3.46Å; V240-R244 VanDerWaalsContact O-CB 3.3Å; V240-R244 WeakPolarHBondContact O-CB 3.36Å; V240-R244 VanDerWaalsContact O-CG 3.24Å; V240-R244 WeakPolarHBondContact O-CG 3.42Å; V240-R244 PolarHBondContact O-N 3.32Å; R244-C247 PolarHBondContact O-N 3.38Å; R244-R248 WeakPolarHBondContact O-CG 3.02Å; R244-R248 PolarHBondContact O-N 2.89Å; R244-N327 VanDerWaalsContact CZ-O 3.23Å; R244-N327 PolarHBondContact NE-O 2.85Å; R244-N327 PolarHBondContact NH2-O 3.21Å; R244-V329 HydrophobicContact CG-CG2 4.11Å
245	K	87.2	Confident	75.5	Confident	127 Å²	127	68.4 Å²	68.4	55%	0.552	31%	0.31	S	S	*	.	H	α-helix	trans	-62.1	-50.9	177	-179.9	178.9	173.5	-177.9	0	111	N241 Y242 V243 C247 R248 E249	N241-K245 WeakPolarHBondContact O-CB 3.25Å; N241-K245 PolarHBondContact O-N 2.97Å; Y242-K245 PolarHBondContact O-N 3.31Å; V243-K245 PolarHBondContact O-N 3.02Å; K245-C247 VanDerWaalsContact C-N 3.31Å; K245-C247 PolarHBondContact O-N 2.91Å; K245-R248 PolarHBondContact O-N 3.34Å; K245-E249 WeakPolarHBondContact CE-OE1 3.43Å; K245-E249 HydrophobicContact CG-CG 4.47Å; K245-E249 WeakPolarHBondContact CG-OE1 3.41Å; K245-E249 WeakPolarHBondContact O-CG 3.5Å; K245-E249 PolarHBondContact O-N 2.95Å
246	A	88.9	Confident	74.4	Confident	7 Å²	7	71.9 Å²	71.9	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-44.1	178.4	0	0	0	0	0	111.9	Y242 V243 E249 Y250 F313	Y242-A246 WeakPolarHBondContact O-CB 3.5Å; Y242-A246 PolarHBondContact O-N 3.14Å; V243-A246 PolarHBondContact O-N 2.92Å; A246-E249 PolarHBondContact O-N 3.16Å; A246-Y250 HydrophobicContact CB-CE2 4.49Å; A246-Y250 WeakPolarHBondContact O-CB 3.46Å; A246-Y250 VanDerWaalsContact O-CD2 3.31Å; A246-Y250 WeakPolarHBondContact O-CD2 3.43Å; A246-Y250 PolarHBondContact O-N 3.27Å; A246-F313 HydrophobicContact CB-CD1 4.41Å; A246-F313 HydrophobicContact CB-CE1 3.85Å; A246-F313 HydrophobicContact CB-CE2 4.37Å; A246-F313 HydrophobicContact CB-CZ 3.84Å
247	C	90.2	Very high	73.1	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.007	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-37.9	180	-65.2	0	0	0	0	113.1	V243 R244 K245 C251 P279 L311 I323 L350	V243-C247 PolarHBondContact O-N 3.34Å; V243-C247 PolarHBondContact O-SG 3.23Å; R244-C247 PolarHBondContact O-N 3.38Å; K245-C247 VanDerWaalsContact C-N 3.31Å; K245-C247 PolarHBondContact O-N 2.91Å; C247-C251 WeakPolarHBondContact O-CB 3.4Å; C247-C251 PolarHBondContact O-N 3.05Å; C247-C251 PolarHBondContact O-SG 3.12Å; C247-P279 HydrophobicContact CB-CG 4.16Å; C247-L311 HydrophobicContact CB-CD1 4.35Å; C247-I323 HydrophobicContact CB-CD1 3.77Å; C247-I323 WeakPolarHBondContact SG-CD1 3.45Å; C247-L350 HydrophobicContact CB-CD2 4.3Å; C247-L350 WeakPolarHBondContact SG-CD1 3.48Å
248	R	87.3	Confident	71.5	Confident	66 Å²	66	85.5 Å²	85.5	25%	0.249	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-44.6	172.4	-73.4	178.8	-174.4	-171.6	2.4	111.5	R244 K245 C251 N252 Y273 R275 P279	R244-R248 WeakPolarHBondContact O-CG 3.02Å; R244-R248 PolarHBondContact O-N 2.89Å; K245-R248 PolarHBondContact O-N 3.34Å; R248-C251 PolarHBondContact O-N 3.46Å; R248-N252 WeakPolarHBondContact O-CB 3.27Å; R248-N252 PolarHBondContact O-N 2.92Å; R248-N252 PolarHBondContact O-ND2 3.48Å; R248-Y273 PolarHBondContact NH1-O 3.02Å; R248-R275 PolarHBondContact NH2-O 2.78Å; R248-P279 HydrophobicContact CG-CB 4.48Å
249	E	87.2	Confident	69.4	Low	99 Å²	99	84 Å²	84	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-46.2	178.7	-74.6	175	177.2	0	0	111.7	K245 A246	K245-E249 WeakPolarHBondContact CE-OE1 3.43Å; K245-E249 HydrophobicContact CG-CG 4.47Å; K245-E249 WeakPolarHBondContact CG-OE1 3.41Å; K245-E249 WeakPolarHBondContact O-CG 3.5Å; K245-E249 PolarHBondContact O-N 2.95Å; A246-E249 PolarHBondContact O-N 3.16Å
250	Y	89.4	Confident	67.2	Low	32 Å²	32	91.3 Å²	91.3	13%	0.125	41%	0.411	C	S	.	.	H	α-helix	trans	-69.5	-36	178.8	-66.8	-29.5	0	0	0	113.6	A246 F313 L350 I374 A375 L380 R382	A246-Y250 HydrophobicContact CB-CE2 4.49Å; A246-Y250 WeakPolarHBondContact O-CB 3.46Å; A246-Y250 VanDerWaalsContact O-CD2 3.31Å; A246-Y250 WeakPolarHBondContact O-CD2 3.43Å; A246-Y250 PolarHBondContact O-N 3.27Å; Y250-F313 HydrophobicContact CE2-CD2 4.37Å; Y250-F313 AromaticContact CE2-CE2 3.77Å; Y250-F313 HydrophobicContact CE2-CE2 3.77Å; Y250-F313 HydrophobicContact CE2-CZ 4.48Å; Y250-L350 HydrophobicContact CD2-CB 3.82Å; Y250-L350 HydrophobicContact CD2-CD2 3.99Å; Y250-L350 HydrophobicContact CG-CD2 4.31Å; Y250-I374 VanDerWaalsContact C-CG2 3.49Å; Y250-I374 WeakPolarHBondContact O-CG2 3.41Å; Y250-A375 HydrophobicContact CD1-CB 3.87Å; Y250-A375 HydrophobicContact CD2-CB 3.77Å; Y250-A375 HydrophobicContact CE1-CB 4.07Å; Y250-A375 HydrophobicContact CE2-CB 3.98Å; Y250-A375 HydrophobicContact CG-CB 3.71Å; Y250-L380 HydrophobicContact CD1-CD2 3.6Å; Y250-L380 HydrophobicContact CE1-CD2 4.33Å; Y250-L380 HydrophobicContact CG-CD2 4.4Å; Y250-R382 WeakPolarHBondContact O-CD 3.46Å; Y250-R382 PolarHBondContact O-NH1 3.06Å
251	C	84.6	Confident	65	Low	2 Å²	2	94.8 Å²	94.8	1%	0.014	44%	0.437	C	S	.	.	H	α-helix	trans	-84.2	-23.8	179.7	-66.2	0	0	0	0	114.1	C247 R248 Y253 P279 R382	C247-C251 WeakPolarHBondContact O-CB 3.4Å; C247-C251 PolarHBondContact O-N 3.05Å; C247-C251 PolarHBondContact O-SG 3.12Å; R248-C251 PolarHBondContact O-N 3.46Å; C251-Y253 PolarHBondContact O-N 3.36Å; C251-Y253 VanDerWaalsContact O-N 3.1Å; C251-P279 HydrophobicContact CB-CB 3.69Å; C251-P279 VanDerWaalsContact CB-O 3.28Å; C251-P279 WeakPolarHBondContact CB-O 3.28Å; C251-R382 PolarHBondContact O-NH1 3.04Å
252	N	78.7	Confident	62.5	Low	62 Å²	62	100 Å²	100	33%	0.332	46%	0.463	S	S	.	.			trans	-74	103.5	-174.7	-83.3	-18.9	0	0	0	112.4	R248 K254 R382	R248-N252 WeakPolarHBondContact O-CB 3.27Å; R248-N252 PolarHBondContact O-N 2.92Å; R248-N252 PolarHBondContact O-ND2 3.48Å; N252-K254 PolarHBondContact O-N 3.06Å; N252-R382 VanDerWaalsContact O-CZ 3.26Å; N252-R382 PolarHBondContact O-NH1 3.31Å; N252-R382 PolarHBondContact O-NH2 2.94Å
253	Y	54.5	Low	60.2	Low	104 Å²	104	105 Å²	105	41%	0.408	49%	0.49	S	S	.	.			trans	-79	100.4	174.6	-170.5	-102.6	0	0	0	109.9	C251 K255	C251-Y253 PolarHBondContact O-N 3.36Å; C251-Y253 VanDerWaalsContact O-N 3.1Å; Y253-K255 HydrophobicContact CD1-CB 4.13Å; Y253-K255 HydrophobicContact CE1-CB 3.44Å; Y253-K255 VanDerWaalsContact CE1-CB 3.44Å; Y253-K255 HydrophobicContact CE2-CB 4.32Å; Y253-K255 PolarHBondContact O-N 2.93Å
254	K	51.5	Low	57.6	Low	148 Å²	148	114 Å²	114	64%	0.643	53%	0.529	S	S	*	.			trans	-89.7	87.5	168.4	-75.3	-173.3	-179.6	176.9	0	108.7	N252 Y273	N252-K254 PolarHBondContact O-N 3.06Å; K254-Y273 PolarHBondContact NZ-OH 3.5Å
255	K	42.7	Very low	55.3	Low	131 Å²	131	113.8 Å²	113.8	57%	0.57	54%	0.539	S	S	*	.			trans	-150.8	107	166.2	-143.9	167.1	-177.6	177	0	113.3	Y253	Y253-K255 HydrophobicContact CD1-CB 4.13Å; Y253-K255 HydrophobicContact CE1-CB 3.44Å; Y253-K255 VanDerWaalsContact CE1-CB 3.44Å; Y253-K255 HydrophobicContact CE2-CB 4.32Å; Y253-K255 PolarHBondContact O-N 2.93Å
256	Y	32.6	Very low	52.8	Low	217 Å²	217	116.5 Å²	116.5	85%	0.851	55%	0.551	S	S	*	*			trans	50.3	94.9	158	-73.9	-96.5	0	0	0	119.9
257	V	30.8	Very low	50.1	Low	141 Å²	141	119.4 Å²	119.4	86%	0.855	58%	0.575	S	S	*	*			trans	-94.8	130.2	143.6	176.8	0	0	0	0	106.8
258	Y	31.2	Very low	47.4	Very low	215 Å²	215	124 Å²	124	84%	0.843	60%	0.602	S	S	*	*			trans	-10.9	134	175	-83.4	-99.1	0	0	0	118.6	Y260	Y258-Y260 PolarHBondContact O-N 3.44Å
259	S	26.1	Very low	44.8	Very low	101 Å²	101	124.5 Å²	124.5	71%	0.706	61%	0.61	S	S	*	*			trans	-47.4	116.7	162.4	52.1	0	0	0	0	112.2
260	Y	29.1	Very low	42.1	Very low	225 Å²	225	122.7 Å²	122.7	88%	0.882	61%	0.608	S	S	*	*			trans	-169.6	130.5	139.6	-110.7	-81.3	0	0	0	109.2	Y258	Y258-Y260 PolarHBondContact O-N 3.44Å
261	S	32.2	Very low	39.3	Very low	104 Å²	104	128 Å²	128	73%	0.727	63%	0.634	S	S	*	*			trans	49.3	100.4	172.9	69.6	0	0	0	0	118.4	E263	S261-E263 PolarHBondContact O-N 2.79Å
262	L	29	Very low	36.8	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	122.5	152.8	-72.8	132	0	0	0	109.2
263	E	36.5	Very low	34.6	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.2	-15.8	148.6	-86.6	169.1	-170.1	0	0	113.4	S261	S261-E263 PolarHBondContact O-N 2.79Å
264	K	33.4	Very low	33.6	Very low	189 Å²	189	140.4 Å²	140.4	82%	0.822	69%	0.685	S	S	*	*	S	Bend	trans	-97.2	2.3	176.2	-76.8	-176.2	177.7	176.6	0	115.8	F266	K264-F266 PolarHBondContact O-N 2.87Å
265	S	38.2	Very low	33.3	Very low	66 Å²	66	140.5 Å²	140.5	46%	0.462	68%	0.681	S	S	.	*	H	α-helix	trans	-77.9	-16.8	-166.9	-39.8	0	0	0	0	115	L269	S265-L269 WeakPolarHBondContact O-CD1 3.31Å; S265-L269 VanDerWaalsContact O-CG 3.28Å; S265-L269 WeakPolarHBondContact O-CG 3.21Å; S265-L269 PolarHBondContact O-N 3.03Å
266	F	34.7	Very low	33.9	Very low	184 Å²	184	142.9 Å²	142.9	81%	0.807	69%	0.691	S	S	*	*	H	α-helix	trans	-74.8	-31.7	-177.6	-107.9	-93.9	0	0	0	113.9	K264 S270	K264-F266 PolarHBondContact O-N 2.87Å; F266-S270 PolarHBondContact O-N 2.97Å
267	A	31.7	Very low	35.7	Very low	68 Å²	68	137.4 Å²	137.4	56%	0.562	68%	0.677	S	S	*	*	H	α-helix	trans	-79	-27.6	179.1	0	0	0	0	0	113.4	S270 H271	A267-S270 PolarHBondContact O-OG 2.63Å; A267-S270 VanDerWaalsContact O-OG 3.05Å; A267-H271 PolarHBondContact O-N 3.37Å
268	V	34.4	Very low	38.2	Very low	97 Å²	97	131.4 Å²	131.4	59%	0.588	64%	0.639	S	S	*	*	H	α-helix	trans	-77	-34.7	175.4	-178.2	0	0	0	0	110.7	H271 F272	V268-H271 PolarHBondContact O-N 2.97Å; V268-F272 PolarHBondContact O-N 2.96Å
269	L	33.2	Very low	40.9	Very low	77 Å²	77	121.7 Å²	121.7	40%	0.403	60%	0.603	S	S	.	*	H	α-helix	trans	-67.8	-39.5	174.8	-74.6	167.1	0	0	0	111.8	S265 H271 F272 Y273	S265-L269 WeakPolarHBondContact O-CD1 3.31Å; S265-L269 VanDerWaalsContact O-CG 3.28Å; S265-L269 WeakPolarHBondContact O-CG 3.21Å; S265-L269 PolarHBondContact O-N 3.03Å; L269-H271 PolarHBondContact O-N 2.83Å; L269-F272 PolarHBondContact O-N 2.8Å; L269-Y273 VanDerWaalsContact O-CD2 3.31Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.82Å
270	S	29.9	Very low	44	Very low	61 Å²	61	116.9 Å²	116.9	43%	0.427	57%	0.569	S	S	.	*	H	α-helix	trans	-66.3	-35.7	176.3	67.8	0	0	0	0	112.7	F266 A267 F272 Y273 F274	F266-S270 PolarHBondContact O-N 2.97Å; A267-S270 PolarHBondContact O-OG 2.63Å; A267-S270 VanDerWaalsContact O-OG 3.05Å; S270-F272 VanDerWaalsContact C-N 3.35Å; S270-F272 PolarHBondContact O-N 2.81Å; S270-Y273 PolarHBondContact O-N 2.84Å; S270-F274 WeakPolarHBondContact O-CD2 3.4Å; S270-F274 PolarHBondContact O-N 2.82Å
271	H	31.1	Very low	47	Very low	143 Å²	143	106.7 Å²	106.7	66%	0.662	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-33.1	174	-104.8	81.5	0	0	0	113.5	A267 V268 L269 R275	A267-H271 PolarHBondContact O-N 3.37Å; V268-H271 PolarHBondContact O-N 2.97Å; L269-H271 PolarHBondContact O-N 2.83Å; H271-R275 PolarHBondContact O-N 2.99Å
272	F	30.9	Very low	49.7	Very low	136 Å²	136	104.1 Å²	104.1	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-78.2	-33.1	176.9	-113.9	-89.5	0	0	0	113.1	V268 L269 S270 F274	V268-F272 PolarHBondContact O-N 2.96Å; L269-F272 PolarHBondContact O-N 2.8Å; S270-F272 VanDerWaalsContact C-N 3.35Å; S270-F272 PolarHBondContact O-N 2.81Å; F272-F274 PolarHBondContact O-N 2.98Å
273	Y	32.2	Very low	52.7	Low	123 Å²	123	97.9 Å²	97.9	48%	0.482	48%	0.476	S	S	.	.	H	α-helix	trans	-69.6	-20.5	176.5	-93.1	-93.8	0	0	0	113.2	R248 K254 L269 S270	R248-Y273 PolarHBondContact NH1-O 3.02Å; K254-Y273 PolarHBondContact NZ-OH 3.5Å; L269-Y273 VanDerWaalsContact O-CD2 3.31Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.82Å; S270-Y273 PolarHBondContact O-N 2.84Å
274	F	33.8	Very low	55.2	Low	170 Å²	170	90.3 Å²	90.3	75%	0.746	44%	0.441	S	S	*	.	H	α-helix	trans	-102.4	-6.2	-179.3	-86.6	-81.9	0	0	0	116	S270 F272 K276	S270-F274 WeakPolarHBondContact O-CD2 3.4Å; S270-F274 PolarHBondContact O-N 2.82Å; F272-F274 PolarHBondContact O-N 2.98Å; F274-K276 PolarHBondContact O-N 2.97Å; F274-K276 VanDerWaalsContact O-N 3.11Å
275	R	44.7	Very low	58	Low	149 Å²	149	82.4 Å²	82.4	56%	0.562	41%	0.41	S	S	*	.			trans	-65.1	119.5	174.1	-88.8	-173.3	165.7	173.5	-3	109.9	R248 H271 D277	R248-R275 PolarHBondContact NH2-O 2.78Å; H271-R275 PolarHBondContact O-N 2.99Å; R275-D277 WeakPolarHBondContact CD-OD2 3.46Å; R275-D277 PolarHBondContact O-N 3.02Å
276	K	57.2	Low	60.5	Low	181 Å²	181	79.6 Å²	79.6	79%	0.787	39%	0.39	S	S	*	.			trans	-70.1	15.7	176.4	-72.2	-176	177.7	178.9	0	112.7	F274 N327	F274-K276 PolarHBondContact O-N 2.97Å; F274-K276 VanDerWaalsContact O-N 3.11Å; K276-N327 PolarHBondContact O-ND2 2.64Å
277	D	69.7	Low	63.2	Low	103 Å²	103	71.8 Å²	71.8	55%	0.551	36%	0.357	S	S	*	.			trans	-74.7	150.3	-174.3	-61.2	-26	0	0	0	110.9	R275 N327	R275-D277 WeakPolarHBondContact CD-OD2 3.46Å; R275-D277 PolarHBondContact O-N 3.02Å; D277-N327 VanDerWaalsContact C-ND2 3.3Å; D277-N327 PolarHBondContact O-ND2 2.8Å
278	F	82.6	Confident	66	Low	14 Å²	14	75 Å²	75	6%	0.061	35%	0.354	C	S	.	.			trans	-64.7	126.8	174.9	-177.3	-109.8	0	0	0	110.7	G280 R309 L311 I323 D324 R325	F278-G280 VanDerWaalsContact C-N 3.32Å; F278-G280 PolarHBondContact O-N 2.81Å; F278-R309 HydrophobicContact CE1-CG 4.47Å; F278-R309 HydrophobicContact CZ-CG 4.39Å; F278-L311 HydrophobicContact CE1-CG 4.38Å; F278-L311 HydrophobicContact CE2-CD1 4.18Å; F278-L311 HydrophobicContact CE2-CG 4.01Å; F278-L311 HydrophobicContact CZ-CD1 4.1Å; F278-L311 HydrophobicContact CZ-CD2 4.38Å; F278-L311 HydrophobicContact CZ-CG 3.61Å; F278-I323 HydrophobicContact CE2-CG2 4.43Å; F278-I323 WeakPolarHBondContact CE2-O 3.39Å; F278-D324 WeakPolarHBondContact CD2-O 3.25Å; F278-D324 WeakPolarHBondContact CE2-O 3.45Å; F278-R325 WeakPolarHBondContact CB-O 3.35Å
279	P	88.3	Confident	68.6	Low	12 Å²	12	75.7 Å²	75.7	8%	0.078	36%	0.355	C	S	.	.			trans	-74.2	-18	-172.5	26.5	-33.2	0	0	0	114.4	C247 R248 C251 L311 N327 G473 G474	C247-P279 HydrophobicContact CB-CG 4.16Å; R248-P279 HydrophobicContact CG-CB 4.48Å; C251-P279 HydrophobicContact CB-CB 3.69Å; C251-P279 VanDerWaalsContact CB-O 3.28Å; C251-P279 WeakPolarHBondContact CB-O 3.28Å; P279-L311 HydrophobicContact CG-CD1 3.86Å; P279-N327 WeakPolarHBondContact CD-OD1 3.44Å; P279-G473 VanDerWaalsContact O-CA 3.24Å; P279-G473 WeakPolarHBondContact O-CA 3.29Å; P279-G474 PolarHBondContact O-N 2.89Å
280	G	90.5	Very high	71.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-70.8	158.3	-178	0	0	0	0	0	114.6	F278 Q282 Y471 G474	F278-G280 VanDerWaalsContact C-N 3.32Å; F278-G280 PolarHBondContact O-N 2.81Å; G280-Q282 PolarHBondContact O-N 2.84Å; G280-Y471 VanDerWaalsContact CA-OH 3.26Å; G280-Y471 WeakPolarHBondContact CA-OH 3.07Å; G280-G474 PolarHBondContact O-N 2.82Å
281	S	92.2	Very high	74.4	Confident	11 Å²	11	70.6 Å²	70.6	8%	0.077	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	116.2	-176.3	-169.3	0	0	0	0	113.7	R309 Y471 V472 G474 C476	S281-R309 VanDerWaalsContact N-NH2 3.2Å; S281-R309 PolarHBondContact O-NH1 2.9Å; S281-R309 PolarHBondContact O-NH2 3.35Å; S281-Y471 PolarHBondContact N-OH 3.44Å; S281-V472 WeakPolarHBondContact CA-O 3.36Å; S281-V472 WeakPolarHBondContact CB-O 3.23Å; S281-V472 PolarHBondContact OG-O 2.82Å; S281-G474 CarbonylContact C-O 3.53Å; S281-G474 WeakPolarHBondContact CA-O 3.49Å; S281-C476 VanDerWaalsContact OG-CB 3.26Å; S281-C476 WeakPolarHBondContact OG-CB 3.5Å
282	Q	89.4	Confident	77.4	Confident	50 Å²	50	67.1 Å²	67.1	23%	0.234	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.3	-178.8	-59.5	-69.9	-2.5	0	0	110.7	G280 G474 C476	G280-Q282 PolarHBondContact O-N 2.84Å; Q282-G474 PolarHBondContact N-O 3.12Å; Q282-C476 PolarHBondContact O-N 3.09Å
283	P	92.1	Very high	80.4	Confident	31 Å²	31	62.1 Å²	62.1	20%	0.201	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	148.9	-179.2	29.3	-36	0	0	0	112.6	V479 K481	P283-V479 CarbonylContact C-O 3.52Å; P283-V479 WeakPolarHBondContact CA-O 3.45Å; P283-V479 HydrophobicContact CB-CB 4.22Å; P283-V479 HydrophobicContact CB-CG1 3.83Å; P283-V479 WeakPolarHBondContact CB-O 3.32Å; P283-K481 HydrophobicContact CB-CB 4.39Å; P283-K481 HydrophobicContact CB-CD 4.47Å; P283-K481 HydrophobicContact CB-CG 4.4Å; P283-K481 HydrophobicContact CG-CD 4.14Å
284	I	89.5	Confident	83.3	Confident	31 Å²	31	56.3 Å²	56.3	16%	0.159	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.1	173.8	65.2	161.2	0	0	0	111.5	R475 P477 V479 L480 K481	I284-R475 HydrophobicContact CG2-CG 4.09Å; I284-P477 WeakPolarHBondContact CD1-O 3.28Å; I284-V479 PolarHBondContact N-O 3.02Å; I284-L480 HydrophobicContact CD1-CD2 3.95Å; I284-L480 HydrophobicContact CG1-CD2 3.69Å; I284-L480 CarbonylContact O-C 3.55Å; I284-L480 WeakPolarHBondContact O-CA 3.25Å; I284-K481 WeakPolarHBondContact O-CG 3.47Å; I284-K481 PolarHBondContact O-N 3.47Å
285	S	90.9	Very high	86.1	Confident	24 Å²	24	50 Å²	50	17%	0.168	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	136.6	177	-58.6	0	0	0	0	111	D287 N290 K481 S571	S285-D287 PolarHBondContact O-N 2.93Å; S285-N290 PolarHBondContact O-ND2 2.84Å; S285-K481 CarbonylContact C-O 3.53Å; S285-K481 WeakPolarHBondContact CA-O 3.28Å; S285-K481 WeakPolarHBondContact OG-CE 3.45Å; S285-S571 WeakPolarHBondContact CB-OG 3.25Å
286	L	91.3	Very high	88.3	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.5	127.7	170.8	-172.7	75.5	0	0	0	108.8	N290 I291 L464 L480 K481 W482 I576 L581	L286-N290 WeakPolarHBondContact CA-OD1 3.3Å; L286-N290 WeakPolarHBondContact CD1-OD1 3.18Å; L286-I291 HydrophobicContact CD1-CB 4.26Å; L286-I291 HydrophobicContact CD1-CG1 4.35Å; L286-L464 HydrophobicContact CD1-CD1 4.05Å; L286-L464 HydrophobicContact CD2-CD1 4.12Å; L286-L480 HydrophobicContact CD1-CB 4.16Å; L286-L480 HydrophobicContact CD1-CD1 3.55Å; L286-L480 HydrophobicContact CD1-CG 4.4Å; L286-K481 PolarHBondContact N-O 3.1Å; L286-W482 HydrophobicContact CB-CB 4Å; L286-W482 HydrophobicContact CD2-CB 3.9Å; L286-W482 HydrophobicContact CD2-CG 4.16Å; L286-I576 HydrophobicContact CD2-CD1 4.08Å; L286-I576 HydrophobicContact CD2-CG2 4.48Å; L286-I576 HydrophobicContact CG-CD1 3.88Å; L286-L581 HydrophobicContact CD2-CD1 3.79Å; L286-L581 HydrophobicContact CD2-CD2 4.43Å
287	D	90.9	Very high	90	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.107	21%	0.21	C	C	.	.			trans	-137.8	174	177.9	70.3	35.3	0	0	0	110.8	S285 D289 N290 I291 K570 I576	S285-D287 PolarHBondContact O-N 2.93Å; D287-D289 PolarHBondContact O-N 2.76Å; D287-D289 VanDerWaalsContact O-N 3.17Å; D287-D289 WeakPolarHBondContact OD1-CA 3.03Å; D287-D289 WeakPolarHBondContact OD1-CB 3.48Å; D287-D289 PolarHBondContact OD1-N 2.77Å; D287-N290 PolarHBondContact N-OD1 2.9Å; D287-N290 PolarHBondContact O-N 2.8Å; D287-N290 PolarHBondContact O-OD1 3.08Å; D287-N290 PolarHBondContact OD1-N 2.92Å; D287-I291 WeakPolarHBondContact O-CB 3.3Å; D287-I291 PolarHBondContact O-N 3.43Å; D287-K570 HydrophobicContact CB-CD 4.21Å; D287-K570 IonicContact OD1-NZ 2.63Å; D287-K570 PolarHBondContact OD1-NZ 3.38Å; D287-K570 WeakPolarHBondContact OD2-CD 3.25Å; D287-K570 WeakPolarHBondContact OD2-CE 3.45Å; D287-K570 IonicContact OD2-NZ 3.37Å; D287-K570 PolarHBondContact OD2-NZ 3.38Å; D287-I576 WeakPolarHBondContact O-CD1 3.42Å
288	R	90.2	Very high	91	Very high	136 Å²	136	36.8 Å²	36.8	51%	0.513	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.6	-176.2	-65.5	-164.8	177.1	-157.9	-5	114.4	F574 P575 I576	R288-F574 HydrophobicContact CG-CB 4.29Å; R288-P575 PolarHBondContact NH2-O 3.31Å; R288-I576 HydrophobicContact CG-CG1 4.21Å
289	D	89.6	Confident	91.5	Very high	111 Å²	111	36.1 Å²	36.1	59%	0.594	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-42.4	179.6	-58.5	-6.7	0	0	0	110.2	D287 N292 K570	D287-D289 PolarHBondContact O-N 2.76Å; D287-D289 VanDerWaalsContact O-N 3.17Å; D287-D289 WeakPolarHBondContact OD1-CA 3.03Å; D287-D289 WeakPolarHBondContact OD1-CB 3.48Å; D287-D289 PolarHBondContact OD1-N 2.77Å; D289-N292 PolarHBondContact O-ND2 2.92Å; D289-K570 IonicContact OD1-NZ 3.22Å; D289-K570 WeakPolarHBondContact OD2-CE 3.42Å; D289-K570 IonicContact OD2-NZ 2.75Å; D289-K570 PolarHBondContact OD2-NZ 2.83Å
290	N	93	Very high	91.6	Very high	18 Å²	18	36.2 Å²	36.2	10%	0.096	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-87.2	-11.4	-175.7	72.1	25.8	0	0	0	114.3	S285 L286 D287 N292 L293	S285-N290 PolarHBondContact O-ND2 2.84Å; L286-N290 WeakPolarHBondContact CA-OD1 3.3Å; L286-N290 WeakPolarHBondContact CD1-OD1 3.18Å; D287-N290 PolarHBondContact N-OD1 2.9Å; D287-N290 PolarHBondContact O-N 2.8Å; D287-N290 PolarHBondContact O-OD1 3.08Å; D287-N290 PolarHBondContact OD1-N 2.92Å; N290-N292 PolarHBondContact O-N 3.47Å; N290-N292 VanDerWaalsContact O-N 3.17Å; N290-L293 HydrophobicContact CB-CD1 4.06Å; N290-L293 WeakPolarHBondContact O-CB 3.44Å; N290-L293 WeakPolarHBondContact O-CD1 3.23Å; N290-L293 VanDerWaalsContact O-CG 3.24Å; N290-L293 WeakPolarHBondContact O-CG 3.49Å; N290-L293 PolarHBondContact O-N 3.44Å
291	I	93.1	Very high	91.6	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.067	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.9	175	-164.7	171.1	0	0	0	112.4	L286 D287 L293 L294 I576 L581 F584	L286-I291 HydrophobicContact CD1-CB 4.26Å; L286-I291 HydrophobicContact CD1-CG1 4.35Å; D287-I291 WeakPolarHBondContact O-CB 3.3Å; D287-I291 PolarHBondContact O-N 3.43Å; I291-L293 PolarHBondContact O-N 2.92Å; I291-L293 VanDerWaalsContact O-N 3.12Å; I291-L294 HydrophobicContact CG1-CD1 4.14Å; I291-L294 WeakPolarHBondContact O-CB 3.42Å; I291-L294 WeakPolarHBondContact O-CG 3.45Å; I291-L294 PolarHBondContact O-N 2.91Å; I291-I576 HydrophobicContact CB-CD1 4.38Å; I291-I576 HydrophobicContact CD1-CD1 4.06Å; I291-I576 HydrophobicContact CD1-CG2 4.42Å; I291-L581 HydrophobicContact CD1-CD1 4.47Å; I291-F584 HydrophobicContact CB-CE2 4.49Å; I291-F584 HydrophobicContact CD1-CB 3.83Å; I291-F584 HydrophobicContact CD1-CD1 3.98Å; I291-F584 HydrophobicContact CD1-CD2 3.57Å; I291-F584 HydrophobicContact CD1-CE2 4.18Å; I291-F584 HydrophobicContact CD1-CG 3.49Å; I291-F584 VanDerWaalsContact CD1-CG 3.49Å; I291-F584 HydrophobicContact CG1-CD1 3.79Å; I291-F584 HydrophobicContact CG1-CD2 3.89Å; I291-F584 HydrophobicContact CG1-CE1 3.93Å; I291-F584 HydrophobicContact CG1-CE2 4.03Å; I291-F584 HydrophobicContact CG1-CG 3.81Å; I291-F584 HydrophobicContact CG1-CZ 4.06Å; I291-F584 HydrophobicContact CG2-CD2 4.22Å; I291-F584 HydrophobicContact CG2-CE2 3.8Å; I291-F584 HydrophobicContact CG2-CZ 4.17Å; I291-F584 WeakPolarHBondContact O-CE1 3.44Å
292	N	93.7	Very high	91.5	Very high	70 Å²	70	35.7 Å²	35.7	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.8	-19.2	175.8	-63.6	-36.9	0	0	0	113.3	D289 N290 L294 Q295 M296	D289-N292 PolarHBondContact O-ND2 2.92Å; N290-N292 PolarHBondContact O-N 3.47Å; N290-N292 VanDerWaalsContact O-N 3.17Å; N292-L294 PolarHBondContact O-N 3.1Å; N292-Q295 WeakPolarHBondContact O-CB 3.49Å; N292-Q295 PolarHBondContact O-N 2.94Å; N292-M296 PolarHBondContact O-N 3.05Å
293	L	94.3	Very high	91.4	Very high	31 Å²	31	33.9 Å²	33.9	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-31.4	171.1	-66.9	169.9	0	0	0	111.8	N290 I291 Q295 M296 H297 Y299 L480	N290-L293 HydrophobicContact CB-CD1 4.06Å; N290-L293 WeakPolarHBondContact O-CB 3.44Å; N290-L293 WeakPolarHBondContact O-CD1 3.23Å; N290-L293 VanDerWaalsContact O-CG 3.24Å; N290-L293 WeakPolarHBondContact O-CG 3.49Å; N290-L293 PolarHBondContact O-N 3.44Å; I291-L293 PolarHBondContact O-N 2.92Å; I291-L293 VanDerWaalsContact O-N 3.12Å; L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 3.05Å; L293-M296 HydrophobicContact CD2-CE 3.78Å; L293-M296 HydrophobicContact CG-CE 4.42Å; L293-M296 PolarHBondContact O-N 3.22Å; L293-H297 PolarHBondContact O-N 3.34Å; L293-Y299 HydrophobicContact CB-CE2 4.02Å; L293-Y299 WeakPolarHBondContact O-CE2 3.45Å; L293-L480 HydrophobicContact CB-CD1 4.47Å; L293-L480 HydrophobicContact CD1-CD1 4.21Å; L293-L480 HydrophobicContact CD1-CD2 4.07Å
294	L	93	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.8	-23.5	178	-53.7	-176.8	0	0	0	112.8	I291 N292 Y299 L427 L464 L480 L581 F584 V585 S589 L590	I291-L294 HydrophobicContact CG1-CD1 4.14Å; I291-L294 WeakPolarHBondContact O-CB 3.42Å; I291-L294 WeakPolarHBondContact O-CG 3.45Å; I291-L294 PolarHBondContact O-N 2.91Å; N292-L294 PolarHBondContact O-N 3.1Å; L294-Y299 HydrophobicContact CD2-CD1 3.8Å; L294-Y299 HydrophobicContact CD2-CD2 3.56Å; L294-Y299 HydrophobicContact CD2-CE1 4.15Å; L294-Y299 HydrophobicContact CD2-CE2 3.94Å; L294-Y299 HydrophobicContact CD2-CG 3.49Å; L294-Y299 VanDerWaalsContact CD2-CG 3.49Å; L294-L427 HydrophobicContact CB-CD1 4.41Å; L294-L427 HydrophobicContact CD2-CD1 4.37Å; L294-L464 HydrophobicContact CD1-CD1 4.2Å; L294-L464 HydrophobicContact CD2-CB 4.48Å; L294-L464 HydrophobicContact CD2-CD1 4.19Å; L294-L480 HydrophobicContact CD2-CD1 4.27Å; L294-L581 HydrophobicContact CD1-CD1 4.27Å; L294-F584 HydrophobicContact CB-CE1 4.09Å; L294-F584 HydrophobicContact CD1-CD1 4.49Å; L294-V585 HydrophobicContact CD1-CG2 4.36Å; L294-S589 CarbonylContact O-C 3.49Å; L294-S589 VanDerWaalsContact O-CA 3.32Å; L294-S589 WeakPolarHBondContact O-CA 3.47Å; L294-S589 WeakPolarHBondContact O-CB 3.38Å; L294-L590 PolarHBondContact O-N 2.74Å
295	Q	92	Very high	91	Very high	38 Å²	38	32.6 Å²	32.6	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-82.2	-31.5	173.5	177	175.8	-1	0	0	111.6	N292 L293 M588 P606	N292-Q295 WeakPolarHBondContact O-CB 3.49Å; N292-Q295 PolarHBondContact O-N 2.94Å; L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 3.05Å; Q295-M588 WeakPolarHBondContact CA-O 3.28Å; Q295-M588 VanDerWaalsContact CB-O 3.28Å; Q295-M588 WeakPolarHBondContact CB-O 3.42Å; Q295-M588 VanDerWaalsContact CG-O 3.25Å; Q295-M588 WeakPolarHBondContact CG-O 3.2Å; Q295-P606 PolarHBondContact NE2-O 2.75Å
296	M	90.5	Very high	90.5	Very high	109 Å²	109	35.9 Å²	35.9	54%	0.537	17%	0.174	S	C	.	.	H	α-helix	trans	-88.8	-27.3	-174.9	-64	-175.1	-64	0	0	113.9	N292 L293	N292-M296 PolarHBondContact O-N 3.05Å; L293-M296 HydrophobicContact CD2-CE 3.78Å; L293-M296 HydrophobicContact CG-CE 4.42Å; L293-M296 PolarHBondContact O-N 3.22Å
297	H	92.3	Very high	90.2	Very high	45 Å²	45	36.8 Å²	36.8	21%	0.208	18%	0.184	C	C	.	.	S	Bend	trans	-135	151.9	-170.5	-61	-53.9	0	0	0	112.9	L293 Y299 R466 D468	L293-H297 PolarHBondContact O-N 3.34Å; H297-Y299 HydrophobicContact CB-CD2 4.29Å; H297-Y299 HydrophobicContact CB-CE2 3.99Å; H297-Y299 WeakPolarHBondContact O-CD2 3.33Å; H297-Y299 PolarHBondContact O-N 2.99Å; H297-R466 HydrophobicContact CB-CG 4.19Å; H297-R466 VanDerWaalsContact CD2-CZ 3.45Å; H297-R466 PolarHBondContact CE1-NH2 3.44Å; H297-R466 PolarHBondContact ND1-NH2 3.46Å; H297-R466 PolarHBondContact NE2-NH1 2.76Å; H297-D468 IonicContact ND1-OD2 2.8Å
298	P	91.7	Very high	90.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.2	C	C	.	.			trans	-70.7	124.2	173.8	30.2	-36.1	0	0	0	110.3	V467 D468 L590 Y592 F599	P298-V467 HydrophobicContact CB-CB 4.22Å; P298-V467 HydrophobicContact CB-CG2 4.42Å; P298-V467 HydrophobicContact CG-CB 4.18Å; P298-V467 WeakPolarHBondContact O-CG2 3.45Å; P298-V467 PolarHBondContact O-N 3.22Å; P298-D468 WeakPolarHBondContact CD-OD1 3.47Å; P298-D468 HydrophobicContact CG-CB 3.82Å; P298-L590 HydrophobicContact CB-CD2 4.44Å; P298-Y592 HydrophobicContact CB-CD1 3.59Å; P298-Y592 HydrophobicContact CB-CD2 3.82Å; P298-Y592 HydrophobicContact CB-CE1 3.64Å; P298-Y592 HydrophobicContact CB-CE2 3.86Å; P298-Y592 HydrophobicContact CB-CG 3.7Å; P298-F599 HydrophobicContact CB-CD2 4.1Å; P298-F599 HydrophobicContact CB-CE2 4.28Å; P298-F599 HydrophobicContact CB-CG 4.36Å; P298-F599 HydrophobicContact CG-CD1 3.95Å; P298-F599 HydrophobicContact CG-CD2 3.89Å; P298-F599 HydrophobicContact CG-CE1 3.83Å; P298-F599 HydrophobicContact CG-CE2 3.76Å; P298-F599 HydrophobicContact CG-CG 3.98Å; P298-F599 HydrophobicContact CG-CZ 3.73Å
299	Y	93	Very high	90.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.9	176.3	-88.1	-98.6	0	0	0	111.3	L293 L294 H297 L427 L464 Q465 R466 T478 L480 Y592	L293-Y299 HydrophobicContact CB-CE2 4.02Å; L293-Y299 WeakPolarHBondContact O-CE2 3.45Å; L294-Y299 HydrophobicContact CD2-CD1 3.8Å; L294-Y299 HydrophobicContact CD2-CD2 3.56Å; L294-Y299 HydrophobicContact CD2-CE1 4.15Å; L294-Y299 HydrophobicContact CD2-CE2 3.94Å; L294-Y299 HydrophobicContact CD2-CG 3.49Å; L294-Y299 VanDerWaalsContact CD2-CG 3.49Å; H297-Y299 HydrophobicContact CB-CD2 4.29Å; H297-Y299 HydrophobicContact CB-CE2 3.99Å; H297-Y299 WeakPolarHBondContact O-CD2 3.33Å; H297-Y299 PolarHBondContact O-N 2.99Å; Y299-L427 WeakPolarHBondContact O-CG 3.22Å; Y299-L464 HydrophobicContact CD1-CB 3.77Å; Y299-L464 HydrophobicContact CE1-CB 4.19Å; Y299-Q465 CarbonylContact C-O 3.57Å; Y299-Q465 WeakPolarHBondContact CA-O 3.34Å; Y299-R466 HydrophobicContact CD1-CB 4.25Å; Y299-R466 HydrophobicContact CE1-CB 3.79Å; Y299-R466 HydrophobicContact CE2-CB 4.08Å; Y299-R466 HydrophobicContact CE2-CG 4.24Å; Y299-T478 WeakPolarHBondContact CE1-O 3.25Å; Y299-T478 VanDerWaalsContact CZ-O 3.31Å; Y299-T478 PolarHBondContact OH-O 3.47Å; Y299-L480 HydrophobicContact CE1-CD1 4.2Å; Y299-L480 HydrophobicContact CE1-CG 4.27Å; Y299-Y592 VanDerWaalsContact C-OH 3.26Å; Y299-Y592 WeakPolarHBondContact O-CE1 3.43Å; Y299-Y592 PolarHBondContact O-OH 3.41Å
300	M	90.5	Very high	90.5	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.069	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.6	163	-71.8	177.9	90	0	0	109.7	F386 F424 F425 L464 Q465 V467 Y592 L594	M300-F386 HydrophobicContact CB-CE1 4.49Å; M300-F386 HydrophobicContact SD-CD1 4.18Å; M300-F386 HydrophobicContact SD-CE1 3.99Å; M300-F424 HydrophobicContact CB-CB 4.16Å; M300-F424 HydrophobicContact CB-CD1 4.08Å; M300-F424 HydrophobicContact CE-CB 3.68Å; M300-F424 WeakPolarHBondContact CE-O 3.39Å; M300-F424 HydrophobicContact SD-CB 4.25Å; M300-F425 CarbonylContact C-O 3.47Å; M300-F425 VanDerWaalsContact CA-O 3.23Å; M300-F425 WeakPolarHBondContact CA-O 3.46Å; M300-F425 WeakPolarHBondContact CB-O 3.4Å; M300-L464 CarbonylContact O-C 3.59Å; M300-L464 WeakPolarHBondContact O-CA 3.06Å; M300-Q465 PolarHBondContact N-O 2.93Å; M300-Q465 PolarHBondContact O-N 2.99Å; M300-V467 HydrophobicContact CB-CG2 4.23Å; M300-V467 HydrophobicContact CG-CG2 3.55Å; M300-V467 HydrophobicContact SD-CG2 4.08Å; M300-Y592 WeakPolarHBondContact CG-OH 3.35Å; M300-L594 HydrophobicContact CE-CD1 4.36Å; M300-L594 HydrophobicContact SD-CD1 4.19Å
301	V	91	Very high	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144	-179.7	64.2	0	0	0	0	111.2	F424 F425 L427 I430 V450 V462 V463 L464	V301-F424 WeakPolarHBondContact O-CA 3.33Å; V301-F425 HydrophobicContact CG1-CB 4.33Å; V301-F425 PolarHBondContact N-O 2.93Å; V301-F425 PolarHBondContact O-N 3.42Å; V301-L427 HydrophobicContact CB-CD2 4.16Å; V301-I430 HydrophobicContact CB-CD1 4.25Å; V301-I430 HydrophobicContact CG1-CD1 4.11Å; V301-I430 HydrophobicContact CG1-CG1 3.95Å; V301-I430 HydrophobicContact CG2-CD1 4.17Å; V301-V450 HydrophobicContact CG1-CG2 4.33Å; V301-V462 HydrophobicContact CG2-CB 3.96Å; V301-V462 HydrophobicContact CG2-CG1 4.26Å; V301-V462 HydrophobicContact CG2-CG2 4.5Å; V301-V463 WeakPolarHBondContact CA-O 3.43Å; V301-L464 HydrophobicContact CB-CD2 3.97Å; V301-L464 HydrophobicContact CG2-CD2 3.84Å
302	S	90.3	Very high	90.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.9	164.7	176.8	0	0	0	0	109	K422 P423 V462 V463	S302-K422 WeakPolarHBondContact OG-CE 3.45Å; S302-P423 WeakPolarHBondContact CB-O 3.42Å; S302-P423 PolarHBondContact OG-O 2.72Å; S302-P423 VanDerWaalsContact OG-O 3.09Å; S302-V462 CarbonylContact O-C 3.55Å; S302-V462 WeakPolarHBondContact O-CA 3.2Å; S302-V463 PolarHBondContact N-O 2.6Å; S302-V463 PolarHBondContact O-N 3.08Å
303	W	87.2	Confident	91	Very high	13 Å²	13	24.9 Å²	24.9	5%	0.049	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.5	165.5	54.5	97.3	0	0	0	111.4	K422 P423 F425 V450 L451 M453 V455 H457 T459	W303-K422 WeakPolarHBondContact O-CE 3.46Å; W303-K422 PolarHBondContact O-NZ 3.43Å; W303-P423 HydrophobicContact CH2-CB 4.38Å; W303-P423 HydrophobicContact CH2-CG 3.06Å; W303-P423 HydrophobicContact CZ2-CG 3.5Å; W303-P423 VanDerWaalsContact CZ2-CG 3.5Å; W303-P423 HydrophobicContact CZ3-CG 3.71Å; W303-F425 HydrophobicContact CE3-CE2 4.21Å; W303-F425 HydrophobicContact CH2-CE2 4.29Å; W303-F425 HydrophobicContact CH2-CZ 4.49Å; W303-F425 AromaticContact CZ3-CE2 3.5Å; W303-F425 HydrophobicContact CZ3-CE2 3.5Å; W303-F425 HydrophobicContact CZ3-CZ 4Å; W303-V450 HydrophobicContact CE3-CG1 3.91Å; W303-L451 HydrophobicContact CB-CD2 4.15Å; W303-M453 HydrophobicContact CH2-CE 3.8Å; W303-M453 HydrophobicContact CH2-SD 3.48Å; W303-M453 WeakPolarHBondContact CH2-SD 3.41Å; W303-M453 HydrophobicContact CZ3-CB 4.46Å; W303-M453 HydrophobicContact CZ3-CE 4.29Å; W303-M453 HydrophobicContact CZ3-CG 4.27Å; W303-M453 HydrophobicContact CZ3-SD 3.33Å; W303-M453 WeakPolarHBondContact CZ3-SD 3.4Å; W303-V455 HydrophobicContact CD2-CG2 4.26Å; W303-V455 HydrophobicContact CH2-CG2 4.27Å; W303-V455 HydrophobicContact CZ2-CG2 3.96Å; W303-H457 AromaticContact CD1-NE2 3.93Å; W303-H457 AromaticContact NE1-NE2 3.37Å; W303-H457 PolarHBondContact NE1-NE2 2.92Å; W303-T459 HydrophobicContact CB-CG2 4Å; W303-T459 HydrophobicContact CG-CG2 4.06Å
304	K	87.5	Confident	91.1	Very high	34 Å²	34	23.4 Å²	23.4	15%	0.148	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.5	165.5	-165.7	-169.5	157.5	-61.4	0	107.5	T459 D460 G461 V463	K304-T459 CarbonylContact O-C 3.51Å; K304-T459 WeakPolarHBondContact O-CA 3.33Å; K304-T459 WeakPolarHBondContact O-CB 3.26Å; K304-D460 WeakPolarHBondContact CB-OD1 3.31Å; K304-D460 WeakPolarHBondContact CD-OD1 3.24Å; K304-D460 WeakPolarHBondContact CE-OD1 3.28Å; K304-D460 VanDerWaalsContact CG-OD1 3.29Å; K304-D460 WeakPolarHBondContact CG-OD1 3.32Å; K304-D460 IonicContact NZ-OD1 3.65Å; K304-D460 PolarHBondContact NZ-OD1 2.97Å; K304-D460 IonicContact NZ-OD2 3.68Å; K304-D460 PolarHBondContact NZ-OD2 2.97Å; K304-D460 PolarHBondContact O-N 3.13Å; K304-G461 PolarHBondContact N-O 2.74Å; K304-V463 HydrophobicContact CB-CG2 3.86Å; K304-V463 HydrophobicContact CG-CG2 3.93Å
305	A	84.4	Confident	91.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	153.6	175.4	0	0	0	0	0	109.2	G307 V356	A305-G307 PolarHBondContact O-N 3.17Å; A305-V356 HydrophobicContact CB-CG1 3.63Å
306	D	80.3	Confident	91.1	Very high	94 Å²	94	22.8 Å²	22.8	50%	0.503	12%	0.124	S	C	.	.	S	Bend	trans	-86.6	91.2	162.1	-171.1	32.1	0	0	0	109	E458	D306-E458 HydrophobicContact CB-CB 4.29Å; D306-E458 PolarHBondContact N-O 3.14Å
307	G	85.7	Confident	90.9	Very high	25 Å²	25	24.8 Å²	24.8	26%	0.258	13%	0.129	S	C	.	.	S	Bend	trans	-144.6	176.3	-179.2	0	0	0	0	0	112.9	A305 E354 L355	A305-G307 PolarHBondContact O-N 3.17Å; G307-E354 PolarHBondContact N-OE1 3.26Å; G307-L355 CarbonylContact C-O 3.55Å; G307-L355 VanDerWaalsContact CA-O 3.31Å; G307-L355 WeakPolarHBondContact CA-O 3.42Å
308	T	88.1	Confident	90.4	Very high	72 Å²	72	27.9 Å²	27.9	44%	0.442	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.9	176.2	-54	0	0	0	0	109.4	Y310 L355	T308-Y310 HydrophobicContact CG2-CD2 4.09Å; T308-Y310 HydrophobicContact CG2-CE2 3.39Å; T308-Y310 WeakPolarHBondContact O-CD2 3.23Å; T308-Y310 PolarHBondContact O-N 3Å; T308-L355 PolarHBondContact N-O 3.01Å; T308-L355 PolarHBondContact O-N 2.79Å
309	R	92.6	Very high	90.2	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.045	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.6	178.7	-174.9	179.2	-176.4	169.3	7.8	111	F278 S281 R325 D352 Y371	F278-R309 HydrophobicContact CE1-CG 4.47Å; F278-R309 HydrophobicContact CZ-CG 4.39Å; S281-R309 VanDerWaalsContact N-NH2 3.2Å; S281-R309 PolarHBondContact O-NH1 2.9Å; S281-R309 PolarHBondContact O-NH2 3.35Å; R309-R325 HydrophobicContact CB-CG 4.44Å; R309-D352 IonicContact CZ-OD1 3.6Å; R309-D352 IonicContact CZ-OD2 3Å; R309-D352 IonicContact NE-OD1 2.7Å; R309-D352 PolarHBondContact NE-OD1 2.92Å; R309-D352 IonicContact NH2-OD1 2.72Å; R309-D352 PolarHBondContact NH2-OD1 3.18Å; R309-D352 IonicContact NH2-OD2 3.6Å; R309-D352 PolarHBondContact NH2-OD2 2.92Å; R309-Y371 PolarHBondContact NE-OH 2.88Å; R309-Y371 PolarHBondContact NH2-OH 3.41Å
310	Y	95.4	Very high	90.2	Very high	34 Å²	34	32.6 Å²	32.6	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.2	171	-71.5	-84.8	0	0	0	110.8	T308 L322 I323 D324 F330 G353 L355 Y368	T308-Y310 HydrophobicContact CG2-CD2 4.09Å; T308-Y310 HydrophobicContact CG2-CE2 3.39Å; T308-Y310 WeakPolarHBondContact O-CD2 3.23Å; T308-Y310 PolarHBondContact O-N 3Å; Y310-L322 HydrophobicContact CD1-CB 3.73Å; Y310-L322 HydrophobicContact CD1-CD2 4.49Å; Y310-L322 HydrophobicContact CE1-CB 4.31Å; Y310-L322 HydrophobicContact CG-CB 4.2Å; Y310-L322 HydrophobicContact CG-CD2 4.12Å; Y310-I323 CarbonylContact C-O 3.49Å; Y310-I323 WeakPolarHBondContact CA-O 3.21Å; Y310-I323 VanDerWaalsContact CD1-C 3.48Å; Y310-D324 HydrophobicContact CD1-CB 3.94Å; Y310-D324 HydrophobicContact CE1-CB 3.53Å; Y310-F330 HydrophobicContact CD1-CD2 4.47Å; Y310-F330 AromaticContact CE1-CD2 3.69Å; Y310-F330 HydrophobicContact CE1-CD2 3.69Å; Y310-F330 AromaticContact CE1-CE2 3.68Å; Y310-F330 HydrophobicContact CE1-CE2 3.68Å; Y310-G353 PolarHBondContact N-O 2.88Å; Y310-G353 CarbonylContact O-C 3.58Å; Y310-G353 PolarHBondContact O-N 2.78Å; Y310-L355 HydrophobicContact CD2-CB 3.9Å; Y310-L355 HydrophobicContact CE2-CB 4.12Å; Y310-L355 HydrophobicContact CE2-CD2 4.13Å; Y310-Y368 PolarHBondContact O-OH 3.38Å
311	L	96.9	Very high	90.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.2	152.9	-66.4	177.2	0	0	0	108.4	C247 F278 P279 L322 I323 L350 V351 D352 I374	C247-L311 HydrophobicContact CB-CD1 4.35Å; F278-L311 HydrophobicContact CE1-CG 4.38Å; F278-L311 HydrophobicContact CE2-CD1 4.18Å; F278-L311 HydrophobicContact CE2-CG 4.01Å; F278-L311 HydrophobicContact CZ-CD1 4.1Å; F278-L311 HydrophobicContact CZ-CD2 4.38Å; F278-L311 HydrophobicContact CZ-CG 3.61Å; P279-L311 HydrophobicContact CG-CD1 3.86Å; L311-L322 CarbonylContact O-C 3.6Å; L311-L322 VanDerWaalsContact O-CA 3.27Å; L311-L322 WeakPolarHBondContact O-CA 3.14Å; L311-I323 HydrophobicContact CB-CB 4.33Å; L311-I323 PolarHBondContact N-O 3.09Å; L311-I323 PolarHBondContact O-N 2.8Å; L311-L350 HydrophobicContact CB-CD1 4.07Å; L311-V351 CarbonylContact C-O 3.52Å; L311-V351 WeakPolarHBondContact CA-O 3.42Å; L311-D352 HydrophobicContact CD2-CB 3.77Å; L311-D352 VanDerWaalsContact CD2-CG 3.47Å; L311-I374 HydrophobicContact CD2-CD1 4.29Å
312	M	97.6	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120	171.3	-179.6	-172.5	-69.7	0	0	110.1	I314 T320 F321 L322 L335 F337 V351 Y368 F417 I419	M312-I314 HydrophobicContact CG-CG1 4.06Å; M312-I314 HydrophobicContact SD-CD1 4.23Å; M312-I314 HydrophobicContact SD-CG1 4.16Å; M312-T320 HydrophobicContact CE-CG2 4.46Å; M312-T320 HydrophobicContact CG-CG2 3.65Å; M312-T320 HydrophobicContact SD-CG2 3.74Å; M312-F321 CarbonylContact C-O 3.43Å; M312-F321 VanDerWaalsContact CA-O 3.25Å; M312-F321 WeakPolarHBondContact CA-O 2.95Å; M312-L322 HydrophobicContact CB-CD2 4.22Å; M312-L322 HydrophobicContact CE-CD2 3.67Å; M312-L322 HydrophobicContact CE-CG 4.44Å; M312-L322 HydrophobicContact CG-CD2 4.46Å; M312-L335 HydrophobicContact CE-CD1 3.85Å; M312-L335 HydrophobicContact SD-CD1 4.39Å; M312-F337 HydrophobicContact CE-CZ 4.49Å; M312-F337 HydrophobicContact SD-CE1 4.41Å; M312-F337 HydrophobicContact SD-CE2 3.81Å; M312-F337 HydrophobicContact SD-CZ 3.45Å; M312-F337 WeakPolarHBondContact SD-CZ 3.42Å; M312-V351 HydrophobicContact CB-CG2 3.68Å; M312-V351 HydrophobicContact CG-CG2 4.41Å; M312-V351 PolarHBondContact N-O 2.69Å; M312-V351 PolarHBondContact O-N 2.84Å; M312-Y368 HydrophobicContact CB-CE1 3.88Å; M312-Y368 HydrophobicContact CE-CD1 3.45Å; M312-Y368 VanDerWaalsContact CE-CD1 3.45Å; M312-Y368 HydrophobicContact CE-CE1 3.61Å; M312-Y368 HydrophobicContact CE-CG 3.97Å; M312-Y368 PolarHBondContact N-OH 2.77Å; M312-Y368 HydrophobicContact SD-CD1 4.39Å; M312-Y368 HydrophobicContact SD-CE1 4.18Å; M312-F417 HydrophobicContact CE-CE2 3.92Å; M312-F417 HydrophobicContact CE-CZ 4.14Å; M312-I419 HydrophobicContact CE-CD1 3.97Å
313	F	96.8	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.1	176.1	-178.1	-132.5	0	0	0	110.2	Y242 V243 A246 Y250 D315 T320 F321 T349 L350	Y242-F313 HydrophobicContact CD1-CE1 4.43Å; Y242-F313 AromaticContact CE1-CE1 3.59Å; Y242-F313 HydrophobicContact CE1-CE1 3.59Å; Y242-F313 HydrophobicContact CE1-CZ 4.32Å; Y242-F313 AromaticContact CZ-CE1 3.91Å; V243-F313 HydrophobicContact CG1-CD1 4.34Å; V243-F313 HydrophobicContact CG2-CD1 4.18Å; A246-F313 HydrophobicContact CB-CD1 4.41Å; A246-F313 HydrophobicContact CB-CE1 3.85Å; A246-F313 HydrophobicContact CB-CE2 4.37Å; A246-F313 HydrophobicContact CB-CZ 3.84Å; Y250-F313 HydrophobicContact CE2-CD2 4.37Å; Y250-F313 AromaticContact CE2-CE2 3.77Å; Y250-F313 HydrophobicContact CE2-CE2 3.77Å; Y250-F313 HydrophobicContact CE2-CZ 4.48Å; F313-D315 HydrophobicContact CE1-CB 3.87Å; F313-D315 HydrophobicContact CE2-CB 4.32Å; F313-D315 HydrophobicContact CZ-CB 3.75Å; F313-T320 WeakPolarHBondContact O-CA 3.39Å; F313-F321 HydrophobicContact CB-CB 4.47Å; F313-F321 AromaticContact CD1-CD2 4Å; F313-F321 HydrophobicContact CD1-CD2 4Å; F313-F321 PolarHBondContact N-O 3.32Å; F313-F321 PolarHBondContact O-N 2.86Å; F313-T349 WeakPolarHBondContact CA-O 3.18Å; F313-T349 WeakPolarHBondContact CD2-O 3.39Å; F313-L350 HydrophobicContact CB-CD1 4.03Å
314	I	96.5	Very high	90.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.9	-175.8	-54.6	159.5	0	0	0	107.4	M312 T320 F337 L346 T347 R348 T349	M312-I314 HydrophobicContact CG-CG1 4.06Å; M312-I314 HydrophobicContact SD-CD1 4.23Å; M312-I314 HydrophobicContact SD-CG1 4.16Å; I314-T320 HydrophobicContact CG1-CG2 4.21Å; I314-F337 HydrophobicContact CD1-CB 4.45Å; I314-F337 HydrophobicContact CD1-CD1 3.61Å; I314-F337 HydrophobicContact CD1-CD2 3.82Å; I314-F337 HydrophobicContact CD1-CE1 3.68Å; I314-F337 HydrophobicContact CD1-CE2 3.88Å; I314-F337 HydrophobicContact CD1-CG 3.7Å; I314-F337 HydrophobicContact CD1-CZ 3.83Å; I314-F337 HydrophobicContact CG1-CD2 3.95Å; I314-F337 HydrophobicContact CG1-CE2 4Å; I314-F337 HydrophobicContact CG1-CG 4.27Å; I314-F337 HydrophobicContact CG1-CZ 4.38Å; I314-F337 HydrophobicContact CG2-CB 3.88Å; I314-F337 HydrophobicContact CG2-CD2 3.86Å; I314-F337 HydrophobicContact CG2-CG 4Å; I314-L346 HydrophobicContact CD1-CD2 4.14Å; I314-L346 HydrophobicContact CG2-CB 4.17Å; I314-L346 HydrophobicContact CG2-CD2 4.41Å; I314-L346 HydrophobicContact CG2-CG 4.4Å; I314-L346 WeakPolarHBondContact CG2-O 3.37Å; I314-T347 CarbonylContact O-C 3.5Å; I314-R348 PolarHBondContact O-N 3.4Å; I314-T349 HydrophobicContact CD1-CG2 4.4Å; I314-T349 PolarHBondContact N-O 2.84Å; I314-T349 PolarHBondContact O-N 3.35Å
315	D	93.7	Very high	90.3	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.07	18%	0.181	C	C	.	.			trans	-130.3	46.5	-176.1	-161.3	42.2	0	0	0	112.9	Y242 F313 R319 R348	Y242-D315 PolarHBondContact OH-OD2 2.79Å; F313-D315 HydrophobicContact CE1-CB 3.87Å; F313-D315 HydrophobicContact CE2-CB 4.32Å; F313-D315 HydrophobicContact CZ-CB 3.75Å; D315-R319 PolarHBondContact N-O 3.32Å; D315-R319 WeakPolarHBondContact O-CB 3.39Å; D315-R319 PolarHBondContact O-NH1 2.75Å; D315-R319 IonicContact OD2-CZ 3.3Å; D315-R319 IonicContact OD2-NH1 3.62Å; D315-R319 PolarHBondContact OD2-NH1 3.32Å; D315-R319 IonicContact OD2-NH2 2.63Å; D315-R319 PolarHBondContact OD2-NH2 2.96Å; D315-R348 VanDerWaalsContact OD1-CG 3.31Å; D315-R348 WeakPolarHBondContact OD1-CG 3.38Å; D315-R348 PolarHBondContact OD1-N 2.94Å
316	G	90.7	Very high	89.9	Confident	12 Å²	12	43.1 Å²	43.1	12%	0.124	21%	0.21	C	C	.	.	S	Bend	trans	103.5	-172.8	174.9	0	0	0	0	0	114.4	H318 R319 L346	G316-H318 PolarHBondContact O-N 3.16Å; G316-R319 PolarHBondContact O-N 2.95Å; G316-R319 VanDerWaalsContact O-N 3.09Å; G316-L346 VanDerWaalsContact CA-O 3.31Å; G316-L346 WeakPolarHBondContact CA-O 3.49Å; G316-L346 PolarHBondContact N-O 3.49Å
317	K	86.5	Confident	89.8	Confident	151 Å²	151	39 Å²	39	66%	0.657	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	129	-177	-164.6	-178	178.3	176.8	0	110.4	R319	K317-R319 PolarHBondContact O-N 2.79Å
318	H	81.9	Confident	89.5	Confident	109 Å²	109	39.1 Å²	39.1	51%	0.505	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	8.9	-177.7	-50.7	-55.1	0	0	0	115.9	G316 P333	G316-H318 PolarHBondContact O-N 3.16Å; H318-P333 WeakPolarHBondContact CA-O 3.36Å; H318-P333 HydrophobicContact CB-CB 4.34Å; H318-P333 PolarHBondContact ND1-O 3.07Å
319	R	87.5	Confident	89.4	Confident	100 Å²	100	36.5 Å²	36.5	38%	0.377	17%	0.166	S	C	.	.			trans	-116.4	61.2	-178.9	-68.6	-175.9	70.7	-134.8	-1.3	110.2	D315 G316 K317 F321	D315-R319 PolarHBondContact N-O 3.32Å; D315-R319 WeakPolarHBondContact O-CB 3.39Å; D315-R319 PolarHBondContact O-NH1 2.75Å; D315-R319 IonicContact OD2-CZ 3.3Å; D315-R319 IonicContact OD2-NH1 3.62Å; D315-R319 PolarHBondContact OD2-NH1 3.32Å; D315-R319 IonicContact OD2-NH2 2.63Å; D315-R319 PolarHBondContact OD2-NH2 2.96Å; G316-R319 PolarHBondContact O-N 2.95Å; G316-R319 VanDerWaalsContact O-N 3.09Å; K317-R319 PolarHBondContact O-N 2.79Å; R319-F321 HydrophobicContact CB-CE2 3.91Å; R319-F321 HydrophobicContact CB-CZ 4.14Å; R319-F321 HydrophobicContact CG-CZ 4.45Å
320	T	92.3	Very high	89	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.3	170.1	-58	0	0	0	0	109	M312 F313 I314 A332 L335 F337	M312-T320 HydrophobicContact CE-CG2 4.46Å; M312-T320 HydrophobicContact CG-CG2 3.65Å; M312-T320 HydrophobicContact SD-CG2 3.74Å; F313-T320 WeakPolarHBondContact O-CA 3.39Å; I314-T320 HydrophobicContact CG1-CG2 4.21Å; T320-A332 HydrophobicContact CG2-CB 4.39Å; T320-A332 PolarHBondContact O-N 2.66Å; T320-L335 HydrophobicContact CG2-CB 4.42Å; T320-L335 HydrophobicContact CG2-CD1 3.94Å; T320-F337 HydrophobicContact CG2-CE2 4Å
321	F	93.1	Very high	88.6	Confident	9 Å²	9	40.5 Å²	40.5	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.1	-176.2	-51.3	-82.5	0	0	0	110.1	T239 V243 M312 F313 R319 V329 F330 V331	T239-F321 HydrophobicContact CG2-CD1 4.29Å; T239-F321 HydrophobicContact CG2-CE1 3.49Å; T239-F321 VanDerWaalsContact CG2-CE1 3.49Å; T239-F321 HydrophobicContact CG2-CZ 3.88Å; V243-F321 HydrophobicContact CG1-CB 3.94Å; V243-F321 HydrophobicContact CG1-CG 4.38Å; V243-F321 HydrophobicContact CG2-CB 4.01Å; V243-F321 HydrophobicContact CG2-CD1 3.82Å; V243-F321 HydrophobicContact CG2-CD2 3.6Å; V243-F321 HydrophobicContact CG2-CE1 4.19Å; V243-F321 HydrophobicContact CG2-CE2 3.97Å; V243-F321 HydrophobicContact CG2-CG 3.51Å; V243-F321 HydrophobicContact CG2-CZ 4.25Å; M312-F321 CarbonylContact C-O 3.43Å; M312-F321 VanDerWaalsContact CA-O 3.25Å; M312-F321 WeakPolarHBondContact CA-O 2.95Å; F313-F321 HydrophobicContact CB-CB 4.47Å; F313-F321 AromaticContact CD1-CD2 4Å; F313-F321 HydrophobicContact CD1-CD2 4Å; F313-F321 PolarHBondContact N-O 3.32Å; F313-F321 PolarHBondContact O-N 2.86Å; R319-F321 HydrophobicContact CB-CE2 3.91Å; R319-F321 HydrophobicContact CB-CZ 4.14Å; R319-F321 HydrophobicContact CG-CZ 4.45Å; F321-V329 HydrophobicContact CB-CG1 4.18Å; F321-V329 HydrophobicContact CD1-CG1 4.21Å; F321-F330 CarbonylContact C-O 2.96Å; F321-F330 WeakPolarHBondContact CA-O 3.45Å; F321-V331 HydrophobicContact CD1-CG1 4.32Å; F321-V331 HydrophobicContact CD1-CG2 4Å; F321-V331 HydrophobicContact CE1-CG1 4.18Å; F321-V331 HydrophobicContact CE1-CG2 4.09Å
322	L	93.5	Very high	88.1	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.8	172	-64.6	143.1	0	0	0	109	Y310 L311 M312 V329 F330 A332 Y368 F417	Y310-L322 HydrophobicContact CD1-CB 3.73Å; Y310-L322 HydrophobicContact CD1-CD2 4.49Å; Y310-L322 HydrophobicContact CE1-CB 4.31Å; Y310-L322 HydrophobicContact CG-CB 4.2Å; Y310-L322 HydrophobicContact CG-CD2 4.12Å; L311-L322 CarbonylContact O-C 3.6Å; L311-L322 VanDerWaalsContact O-CA 3.27Å; L311-L322 WeakPolarHBondContact O-CA 3.14Å; M312-L322 HydrophobicContact CB-CD2 4.22Å; M312-L322 HydrophobicContact CE-CD2 3.67Å; M312-L322 HydrophobicContact CE-CG 4.44Å; M312-L322 HydrophobicContact CG-CD2 4.46Å; L322-V329 CarbonylContact O-C 3.49Å; L322-V329 WeakPolarHBondContact O-CA 3.43Å; L322-F330 HydrophobicContact CB-CB 4.26Å; L322-F330 PolarHBondContact N-O 2.88Å; L322-F330 PolarHBondContact O-N 2.95Å; L322-A332 HydrophobicContact CD1-CB 4.29Å; L322-Y368 HydrophobicContact CD2-CD2 4.42Å; L322-Y368 HydrophobicContact CD2-CE2 4.3Å; L322-F417 HydrophobicContact CD1-CE1 4.03Å; L322-F417 HydrophobicContact CD1-CZ 3.82Å; L322-F417 HydrophobicContact CD2-CZ 4.31Å
323	I	91.4	Very high	87.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.8	179.6	-47.7	179.1	0	0	0	109.6	V243 C247 F278 Y310 L311 N328 V329	V243-I323 HydrophobicContact CG1-CD1 3.41Å; V243-I323 VanDerWaalsContact CG1-CD1 3.41Å; V243-I323 HydrophobicContact CG1-CG1 3.81Å; C247-I323 HydrophobicContact CB-CD1 3.77Å; C247-I323 WeakPolarHBondContact SG-CD1 3.45Å; F278-I323 HydrophobicContact CE2-CG2 4.43Å; F278-I323 WeakPolarHBondContact CE2-O 3.39Å; Y310-I323 CarbonylContact C-O 3.49Å; Y310-I323 WeakPolarHBondContact CA-O 3.21Å; Y310-I323 VanDerWaalsContact CD1-C 3.48Å; L311-I323 HydrophobicContact CB-CB 4.33Å; L311-I323 PolarHBondContact N-O 3.09Å; L311-I323 PolarHBondContact O-N 2.8Å; I323-N328 VanDerWaalsContact CA-O 3.29Å; I323-N328 WeakPolarHBondContact CA-O 3.15Å; I323-V329 HydrophobicContact CG1-CG2 4.33Å
324	D	88.8	Confident	87	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.053	23%	0.231	C	C	.	.			trans	-82.8	178.3	176.2	65.2	20.6	0	0	0	112.5	N135 F278 Y310 D326 N327 N328 F330	N135-D324 PolarHBondContact ND2-OD2 2.9Å; F278-D324 WeakPolarHBondContact CD2-O 3.25Å; F278-D324 WeakPolarHBondContact CE2-O 3.45Å; Y310-D324 HydrophobicContact CD1-CB 3.94Å; Y310-D324 HydrophobicContact CE1-CB 3.53Å; D324-D326 PolarHBondContact O-N 2.84Å; D324-D326 WeakPolarHBondContact OD1-CA 3.15Å; D324-D326 PolarHBondContact OD1-N 2.88Å; D324-N327 WeakPolarHBondContact O-CA 3.39Å; D324-N327 PolarHBondContact O-N 3.32Å; D324-N327 PolarHBondContact OD1-N 2.85Å; D324-N327 VanDerWaalsContact OD1-N 3.16Å; D324-N328 PolarHBondContact N-O 2.88Å; D324-N328 WeakPolarHBondContact OD1-CB 3.33Å; D324-N328 PolarHBondContact OD1-N 3.45Å; D324-N328 PolarHBondContact OD1-ND2 3.22Å; D324-N328 WeakPolarHBondContact OD2-CB 3.21Å; D324-F330 HydrophobicContact CB-CE2 4.28Å; D324-F330 WeakPolarHBondContact OD2-CE2 3.48Å
325	R	83.1	Confident	86.8	Confident	136 Å²	136	46.9 Å²	46.9	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	178.9	-67.8	-173.6	-177.1	-176.4	3.9	114.2	F278 R309	F278-R325 WeakPolarHBondContact CB-O 3.35Å; R309-R325 HydrophobicContact CB-CG 4.44Å
326	D	74.5	Confident	86.8	Confident	114 Å²	114	48.6 Å²	48.6	61%	0.61	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	9.5	177.1	-59.8	-39.9	0	0	0	111.5	D324 N328	D324-D326 PolarHBondContact O-N 2.84Å; D324-D326 WeakPolarHBondContact OD1-CA 3.15Å; D324-D326 PolarHBondContact OD1-N 2.88Å; D326-N328 WeakPolarHBondContact CB-ND2 3.29Å; D326-N328 PolarHBondContact O-N 3.19Å
327	N	80.2	Confident	87	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	24%	0.239	C	C	.	.			trans	60.9	24	-176.1	-74.9	-51.8	0	0	0	113.7	R244 K276 D277 P279 D324	R244-N327 VanDerWaalsContact CZ-O 3.23Å; R244-N327 PolarHBondContact NE-O 2.85Å; R244-N327 PolarHBondContact NH2-O 3.21Å; K276-N327 PolarHBondContact O-ND2 2.64Å; D277-N327 VanDerWaalsContact C-ND2 3.3Å; D277-N327 PolarHBondContact O-ND2 2.8Å; P279-N327 WeakPolarHBondContact CD-OD1 3.44Å; D324-N327 WeakPolarHBondContact O-CA 3.39Å; D324-N327 PolarHBondContact O-N 3.32Å; D324-N327 PolarHBondContact OD1-N 2.85Å; D324-N327 VanDerWaalsContact OD1-N 3.16Å
328	N	79.4	Confident	87.5	Confident	29 Å²	29	41.8 Å²	41.8	16%	0.155	21%	0.21	C	C	.	.			trans	-76	137.5	171.3	-63.8	-75.1	0	0	0	110.2	N135 I323 D324 D326 F330	N135-N328 HydrophobicContact CB-CB 4.42Å; N135-N328 VanDerWaalsContact CG-CG 3.45Å; N135-N328 PolarHBondContact ND2-ND2 3.37Å; N135-N328 PolarHBondContact OD1-ND2 3.25Å; I323-N328 VanDerWaalsContact CA-O 3.29Å; I323-N328 WeakPolarHBondContact CA-O 3.15Å; D324-N328 PolarHBondContact N-O 2.88Å; D324-N328 WeakPolarHBondContact OD1-CB 3.33Å; D324-N328 PolarHBondContact OD1-N 3.45Å; D324-N328 PolarHBondContact OD1-ND2 3.22Å; D324-N328 WeakPolarHBondContact OD2-CB 3.21Å; D326-N328 WeakPolarHBondContact CB-ND2 3.29Å; D326-N328 PolarHBondContact O-N 3.19Å; N328-F330 HydrophobicContact CB-CE2 3.78Å; N328-F330 HydrophobicContact CB-CZ 3.97Å
329	V	84.4	Confident	88.1	Confident	16 Å²	16	39 Å²	39	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.1	-174.9	-179.6	0	0	0	0	109.3	V240 V243 R244 F321 L322 I323	V240-V329 HydrophobicContact CB-CG2 4.49Å; V240-V329 HydrophobicContact CG1-CB 4.29Å; V240-V329 HydrophobicContact CG1-CG2 3.86Å; V240-V329 HydrophobicContact CG2-CB 4.31Å; V243-V329 HydrophobicContact CB-CG1 4.11Å; V243-V329 HydrophobicContact CB-CG2 4.32Å; V243-V329 HydrophobicContact CG1-CG1 3.81Å; V243-V329 HydrophobicContact CG1-CG2 3.99Å; V243-V329 HydrophobicContact CG2-CG1 4.25Å; R244-V329 HydrophobicContact CG-CG2 4.11Å; F321-V329 HydrophobicContact CB-CG1 4.18Å; F321-V329 HydrophobicContact CD1-CG1 4.21Å; L322-V329 CarbonylContact O-C 3.49Å; L322-V329 WeakPolarHBondContact O-CA 3.43Å; I323-V329 HydrophobicContact CG1-CG2 4.33Å
330	F	85.5	Confident	88.2	Confident	53 Å²	53	37.5 Å²	37.5	23%	0.232	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.6	175.9	-51.8	-96.3	0	0	0	109.4	N135 Y310 F321 L322 D324 N328	N135-F330 HydrophobicContact CB-CZ 4.03Å; Y310-F330 HydrophobicContact CD1-CD2 4.47Å; Y310-F330 AromaticContact CE1-CD2 3.69Å; Y310-F330 HydrophobicContact CE1-CD2 3.69Å; Y310-F330 AromaticContact CE1-CE2 3.68Å; Y310-F330 HydrophobicContact CE1-CE2 3.68Å; F321-F330 CarbonylContact C-O 2.96Å; F321-F330 WeakPolarHBondContact CA-O 3.45Å; L322-F330 HydrophobicContact CB-CB 4.26Å; L322-F330 PolarHBondContact N-O 2.88Å; L322-F330 PolarHBondContact O-N 2.95Å; D324-F330 HydrophobicContact CB-CE2 4.28Å; D324-F330 WeakPolarHBondContact OD2-CE2 3.48Å; N328-F330 HydrophobicContact CB-CE2 3.78Å; N328-F330 HydrophobicContact CB-CZ 3.97Å
331	V	85.5	Confident	87.8	Confident	78 Å²	78	40.9 Å²	40.9	47%	0.473	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	-179.7	-167.6	0	0	0	0	109.5	F321 P333	F321-V331 HydrophobicContact CD1-CG1 4.32Å; F321-V331 HydrophobicContact CD1-CG2 4Å; F321-V331 HydrophobicContact CE1-CG1 4.18Å; F321-V331 HydrophobicContact CE1-CG2 4.09Å; V331-P333 HydrophobicContact CG1-CB 4.37Å; V331-P333 WeakPolarHBondContact O-CD 3.24Å
332	A	88	Confident	87.3	Confident	5 Å²	5	41.7 Å²	41.7	4%	0.041	25%	0.248	C	C	.	.			trans	-120.2	70.3	175.8	0	0	0	0	0	110.3	T320 L322 T334 L335 F417	T320-A332 HydrophobicContact CG2-CB 4.39Å; T320-A332 PolarHBondContact O-N 2.66Å; L322-A332 HydrophobicContact CD1-CB 4.29Å; A332-T334 VanDerWaalsContact C-N 3.25Å; A332-T334 PolarHBondContact O-N 3.34Å; A332-L335 HydrophobicContact CB-CD1 3.65Å; A332-L335 HydrophobicContact CB-CG 4.03Å; A332-L335 PolarHBondContact O-N 3.41Å; A332-F417 HydrophobicContact CB-CZ 4.47Å
333	P	82.5	Confident	87	Confident	58 Å²	58	46.6 Å²	46.6	38%	0.377	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.5	-165.7	30.5	-35.8	0	0	0	114.1	H318 V331	H318-P333 WeakPolarHBondContact CA-O 3.36Å; H318-P333 HydrophobicContact CB-CB 4.34Å; H318-P333 PolarHBondContact ND1-O 3.07Å; V331-P333 HydrophobicContact CG1-CB 4.37Å; V331-P333 WeakPolarHBondContact O-CD 3.24Å
334	T	88.5	Confident	87.1	Confident	68 Å²	68	51 Å²	51	42%	0.417	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.8	178.9	62.4	0	0	0	0	113.4	A332 R414 P416	A332-T334 VanDerWaalsContact C-N 3.25Å; A332-T334 PolarHBondContact O-N 3.34Å; T334-R414 VanDerWaalsContact CB-O 3.27Å; T334-R414 WeakPolarHBondContact CB-O 3.29Å; T334-R414 PolarHBondContact OG1-O 2.88Å; T334-P416 VanDerWaalsContact OG1-CD 3.24Å; T334-P416 WeakPolarHBondContact OG1-CD 3.26Å
335	L	92.3	Very high	87.3	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	31%	0.308	C	S	.	.			trans	-68.2	135.5	170.8	-73	178.3	0	0	0	110.5	M312 T320 A332 F337 E415 P416 F417 I419	M312-L335 HydrophobicContact CE-CD1 3.85Å; M312-L335 HydrophobicContact SD-CD1 4.39Å; T320-L335 HydrophobicContact CG2-CB 4.42Å; T320-L335 HydrophobicContact CG2-CD1 3.94Å; A332-L335 HydrophobicContact CB-CD1 3.65Å; A332-L335 HydrophobicContact CB-CG 4.03Å; A332-L335 PolarHBondContact O-N 3.41Å; L335-F337 HydrophobicContact CB-CD2 4.44Å; L335-F337 HydrophobicContact CB-CE2 3.86Å; L335-F337 HydrophobicContact CD1-CE2 4.17Å; L335-E415 HydrophobicContact CD2-CB 4.06Å; L335-E415 HydrophobicContact CD2-CG 4.13Å; L335-P416 HydrophobicContact CD2-CG 4.32Å; L335-P416 HydrophobicContact CG-CG 4.22Å; L335-F417 HydrophobicContact CD1-CE2 3.7Å; L335-F417 HydrophobicContact CD1-CZ 3.61Å; L335-F417 HydrophobicContact CD2-CE2 4.35Å; L335-I419 HydrophobicContact CD1-CD1 4.17Å; L335-I419 HydrophobicContact CD2-CD1 4.06Å; L335-I419 HydrophobicContact CD2-CG1 4.26Å
336	T	92.8	Very high	87.9	Confident	49 Å²	49	45.4 Å²	45.4	30%	0.301	28%	0.283	S	S	.	.			trans	-116.8	130.1	178.4	-57.9	0	0	0	0	110.4	L338 R401 I410 E415	T336-L338 HydrophobicContact CG2-CD2 3.81Å; T336-L338 HydrophobicContact CG2-CG 4.03Å; T336-R401 PolarHBondContact O-NE 3.48Å; T336-R401 VanDerWaalsContact O-NE 3.11Å; T336-I410 HydrophobicContact CG2-CD1 4.08Å; T336-I410 HydrophobicContact CG2-CG1 3.97Å; T336-E415 PolarHBondContact N-OE1 2.54Å
337	F	96.1	Very high	88.9	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.035	27%	0.272	C	S	.	.			trans	-130	124.7	174.5	-66.3	-90.9	0	0	0	108.2	M312 I314 T320 L335 S345 L346 I397 R401 I419	M312-F337 HydrophobicContact CE-CZ 4.49Å; M312-F337 HydrophobicContact SD-CE1 4.41Å; M312-F337 HydrophobicContact SD-CE2 3.81Å; M312-F337 HydrophobicContact SD-CZ 3.45Å; M312-F337 WeakPolarHBondContact SD-CZ 3.42Å; I314-F337 HydrophobicContact CD1-CB 4.45Å; I314-F337 HydrophobicContact CD1-CD1 3.61Å; I314-F337 HydrophobicContact CD1-CD2 3.82Å; I314-F337 HydrophobicContact CD1-CE1 3.68Å; I314-F337 HydrophobicContact CD1-CE2 3.88Å; I314-F337 HydrophobicContact CD1-CG 3.7Å; I314-F337 HydrophobicContact CD1-CZ 3.83Å; I314-F337 HydrophobicContact CG1-CD2 3.95Å; I314-F337 HydrophobicContact CG1-CE2 4Å; I314-F337 HydrophobicContact CG1-CG 4.27Å; I314-F337 HydrophobicContact CG1-CZ 4.38Å; I314-F337 HydrophobicContact CG2-CB 3.88Å; I314-F337 HydrophobicContact CG2-CD2 3.86Å; I314-F337 HydrophobicContact CG2-CG 4Å; T320-F337 HydrophobicContact CG2-CE2 4Å; L335-F337 HydrophobicContact CB-CD2 4.44Å; L335-F337 HydrophobicContact CB-CE2 3.86Å; L335-F337 HydrophobicContact CD1-CE2 4.17Å; F337-S345 WeakPolarHBondContact O-CA 3.44Å; F337-L346 HydrophobicContact CB-CB 3.76Å; F337-L346 HydrophobicContact CB-CD2 4.06Å; F337-L346 PolarHBondContact O-N 2.98Å; F337-I397 HydrophobicContact CD1-CG2 4.05Å; F337-I397 HydrophobicContact CE1-CG2 4.11Å; F337-R401 HydrophobicContact CD1-CG 4.34Å; F337-I419 HydrophobicContact CZ-CD1 4.33Å; F337-I419 HydrophobicContact CZ-CG1 4.1Å
338	L	95.2	Very high	89.6	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.058	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-117.8	151.3	-175.8	-56.3	179.3	0	0	0	110.2	T336 T344 P400 A404	T336-L338 HydrophobicContact CG2-CD2 3.81Å; T336-L338 HydrophobicContact CG2-CG 4.03Å; L338-T344 WeakPolarHBondContact CA-O 3.27Å; L338-P400 WeakPolarHBondContact O-CB 3.44Å; L338-A404 HydrophobicContact CD1-CB 3.77Å
339	L	95.1	Very high	90.4	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.262	29%	0.288	S	S	.	.			trans	-68.2	152.5	167.3	-68	178.5	0	0	0	110.7	G341 T344 L346 C377	L339-G341 PolarHBondContact O-N 2.81Å; L339-T344 HydrophobicContact CD1-CG2 3.72Å; L339-T344 HydrophobicContact CG-CG2 4.45Å; L339-T344 PolarHBondContact N-O 3.49Å; L339-L346 HydrophobicContact CD2-CD1 3.61Å; L339-C377 VanDerWaalsContact CD2-SG 3.56Å
340	P	90.8	Very high	91.1	Very high	70 Å²	70	47.1 Å²	47.1	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132.1	173.9	-23.7	33	0	0	0	112.3	G342 P400	P340-G342 VanDerWaalsContact C-N 3.34Å; P340-G342 PolarHBondContact O-N 2.92Å; P340-P400 HydrophobicContact CB-CG 4.17Å; P340-P400 HydrophobicContact CG-CG 3.81Å
341	G	82.4	Confident	91.7	Very high	72 Å²	72	44.6 Å²	44.6	74%	0.742	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	10.2	172.4	0	0	0	0	0	116.5	L339	L339-G341 PolarHBondContact O-N 2.81Å
342	G	83.7	Confident	92.3	Very high	25 Å²	25	41 Å²	41	26%	0.258	25%	0.25	S	S	.	.	S	Bend	trans	-152.2	-176.2	179.2	0	0	0	0	0	114.6	P340 R409	P340-G342 VanDerWaalsContact C-N 3.34Å; P340-G342 PolarHBondContact O-N 2.92Å; G342-R409 PolarHBondContact O-NH1 2.89Å; G342-R409 VanDerWaalsContact O-NH1 3.16Å
343	D	87.6	Confident	92.7	Very high	115 Å²	115	40.7 Å²	40.7	62%	0.615	25%	0.248	S	C	*	.	S	Bend	trans	-102.3	5.1	176.8	-68.1	-31.9	0	0	0	113	S345 R409	D343-S345 PolarHBondContact O-N 2.86Å; D343-R409 WeakPolarHBondContact OD1-CD 3.13Å; D343-R409 IonicContact OD1-CZ 3.9Å; D343-R409 IonicContact OD1-NE 2.75Å; D343-R409 IonicContact OD1-NH1 2.82Å; D343-R409 PolarHBondContact OD1-NH1 3.2Å
344	T	93.1	Very high	93.2	Very high	92 Å²	92	38.7 Å²	38.7	56%	0.564	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-66.9	127.1	175	-54.7	0	0	0	0	109.8	L338 L339	L338-T344 WeakPolarHBondContact CA-O 3.27Å; L339-T344 HydrophobicContact CD1-CG2 3.72Å; L339-T344 HydrophobicContact CG-CG2 4.45Å; L339-T344 PolarHBondContact N-O 3.49Å
345	S	93.1	Very high	93.5	Very high	28 Å²	28	36.7 Å²	36.7	20%	0.196	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-68.3	140.3	178.3	-60.3	0	0	0	0	111.5	F337 D343	F337-S345 WeakPolarHBondContact O-CA 3.44Å; D343-S345 PolarHBondContact O-N 2.86Å
346	L	94.4	Very high	93.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.1	135.5	171.6	-171.5	66.2	0	0	0	109.7	I314 G316 F337 L339 T349 Y376 C377 I397	I314-L346 HydrophobicContact CD1-CD2 4.14Å; I314-L346 HydrophobicContact CG2-CB 4.17Å; I314-L346 HydrophobicContact CG2-CD2 4.41Å; I314-L346 HydrophobicContact CG2-CG 4.4Å; I314-L346 WeakPolarHBondContact CG2-O 3.37Å; G316-L346 VanDerWaalsContact CA-O 3.31Å; G316-L346 WeakPolarHBondContact CA-O 3.49Å; G316-L346 PolarHBondContact N-O 3.49Å; F337-L346 HydrophobicContact CB-CB 3.76Å; F337-L346 HydrophobicContact CB-CD2 4.06Å; F337-L346 PolarHBondContact O-N 2.98Å; L339-L346 HydrophobicContact CD2-CD1 3.61Å; L346-T349 HydrophobicContact CD2-CG2 3.88Å; L346-T349 HydrophobicContact CG-CG2 4.43Å; L346-T349 WeakPolarHBondContact CG-OG1 3.47Å; L346-Y376 HydrophobicContact CD1-CD2 4.2Å; L346-Y376 HydrophobicContact CD1-CE2 3.58Å; L346-C377 VanDerWaalsContact CD1-SG 3.51Å; L346-I397 HydrophobicContact CD2-CG1 4.48Å
347	T	95.4	Very high	93.3	Very high	59 Å²	59	39.5 Å²	39.5	36%	0.362	23%	0.228	S	C	.	.			trans	-127.2	164.2	-180	57.8	0	0	0	0	110.5	I314 T349 C377	I314-T347 CarbonylContact O-C 3.5Å; T347-T349 PolarHBondContact O-N 3.46Å; T347-T349 PolarHBondContact O-OG1 3.2Å; T347-C377 WeakPolarHBondContact O-CA 3.48Å; T347-C377 PolarHBondContact O-N 3.15Å
348	R	94.8	Very high	92.9	Very high	144 Å²	144	39.4 Å²	39.4	54%	0.543	23%	0.228	S	C	.	.	S	Bend	trans	42.2	43.1	173.2	-58.6	-176.4	-158.2	167.4	5.7	114.6	I314 D315 C377 G378	I314-R348 PolarHBondContact O-N 3.4Å; D315-R348 VanDerWaalsContact OD1-CG 3.31Å; D315-R348 WeakPolarHBondContact OD1-CG 3.38Å; D315-R348 PolarHBondContact OD1-N 2.94Å; R348-C377 PolarHBondContact O-N 3.41Å; R348-G378 PolarHBondContact O-N 2.77Å
349	T	97.8	Very high	92.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.8	-177.2	-63.1	0	0	0	0	109.4	F313 I314 L346 T347 V351 A375 Y376 C377 I397	F313-T349 WeakPolarHBondContact CA-O 3.18Å; F313-T349 WeakPolarHBondContact CD2-O 3.39Å; I314-T349 HydrophobicContact CD1-CG2 4.4Å; I314-T349 PolarHBondContact N-O 2.84Å; I314-T349 PolarHBondContact O-N 3.35Å; L346-T349 HydrophobicContact CD2-CG2 3.88Å; L346-T349 HydrophobicContact CG-CG2 4.43Å; L346-T349 WeakPolarHBondContact CG-OG1 3.47Å; T347-T349 PolarHBondContact O-N 3.46Å; T347-T349 PolarHBondContact O-OG1 3.2Å; T349-V351 HydrophobicContact CG2-CG1 4.24Å; T349-A375 CarbonylContact C-O 3.58Å; T349-A375 VanDerWaalsContact CA-O 3.3Å; T349-A375 WeakPolarHBondContact CA-O 3.47Å; T349-A375 WeakPolarHBondContact CG2-O 3.32Å; T349-Y376 HydrophobicContact CG2-CD2 4.23Å; T349-C377 PolarHBondContact OG1-N 3.18Å; T349-I397 HydrophobicContact CG2-CD1 4.1Å
350	L	97.9	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	179.2	-177.4	66.1	0	0	0	109.8	C247 Y250 L311 F313 I374 A375	C247-L350 HydrophobicContact CB-CD2 4.3Å; C247-L350 WeakPolarHBondContact SG-CD1 3.48Å; Y250-L350 HydrophobicContact CD2-CB 3.82Å; Y250-L350 HydrophobicContact CD2-CD2 3.99Å; Y250-L350 HydrophobicContact CG-CD2 4.31Å; L311-L350 HydrophobicContact CB-CD1 4.07Å; F313-L350 HydrophobicContact CB-CD1 4.03Å; L350-I374 HydrophobicContact CB-CB 4.39Å; L350-I374 HydrophobicContact CD2-CB 4.07Å; L350-I374 HydrophobicContact CD2-CD1 4.46Å; L350-I374 HydrophobicContact CD2-CG1 4.44Å; L350-I374 HydrophobicContact CD2-CG2 4.24Å; L350-I374 HydrophobicContact CG-CB 4.3Å; L350-I374 HydrophobicContact CG-CD1 4.26Å; L350-I374 PolarHBondContact O-N 2.81Å; L350-A375 HydrophobicContact CB-CB 4.19Å; L350-A375 PolarHBondContact N-O 2.9Å; L350-A375 PolarHBondContact O-N 3.33Å
351	V	98.1	Very high	91.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	176.8	-60.2	0	0	0	0	111.4	L311 M312 T349 Y368 I370 D372 V373 I397	L311-V351 CarbonylContact C-O 3.52Å; L311-V351 WeakPolarHBondContact CA-O 3.42Å; M312-V351 HydrophobicContact CB-CG2 3.68Å; M312-V351 HydrophobicContact CG-CG2 4.41Å; M312-V351 PolarHBondContact N-O 2.69Å; M312-V351 PolarHBondContact O-N 2.84Å; T349-V351 HydrophobicContact CG2-CG1 4.24Å; V351-Y368 HydrophobicContact CG2-CE1 4.11Å; V351-I370 HydrophobicContact CB-CG1 4.5Å; V351-I370 HydrophobicContact CB-CG2 3.87Å; V351-I370 HydrophobicContact CG1-CG2 4.18Å; V351-I370 HydrophobicContact CG2-CD1 4.1Å; V351-I370 HydrophobicContact CG2-CG1 4.1Å; V351-I370 HydrophobicContact CG2-CG2 4.39Å; V351-D372 WeakPolarHBondContact CA-O 3.34Å; V351-V373 HydrophobicContact CG1-CB 4.21Å; V351-V373 HydrophobicContact CG1-CG2 4.02Å; V351-I397 HydrophobicContact CG1-CD1 3.55Å
352	D	97.6	Very high	91.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.7	174.6	-154.4	-15.4	0	0	0	109.6	R309 L311 Y371 D372 I374 Y471	R309-D352 IonicContact CZ-OD1 3.6Å; R309-D352 IonicContact CZ-OD2 3Å; R309-D352 IonicContact NE-OD1 2.7Å; R309-D352 PolarHBondContact NE-OD1 2.92Å; R309-D352 IonicContact NH2-OD1 2.72Å; R309-D352 PolarHBondContact NH2-OD1 3.18Å; R309-D352 IonicContact NH2-OD2 3.6Å; R309-D352 PolarHBondContact NH2-OD2 2.92Å; L311-D352 HydrophobicContact CD2-CB 3.77Å; L311-D352 VanDerWaalsContact CD2-CG 3.47Å; D352-Y371 HydrophobicContact CB-CD2 4.19Å; D352-Y371 HydrophobicContact CB-CE2 3.56Å; D352-Y371 VanDerWaalsContact CG-OH 3.23Å; D352-Y371 PolarHBondContact O-N 2.91Å; D352-Y371 WeakPolarHBondContact OD1-CE2 3.34Å; D352-Y371 VanDerWaalsContact OD1-CZ 3.26Å; D352-Y371 PolarHBondContact OD1-OH 3.44Å; D352-D372 HydrophobicContact CB-CB 4.17Å; D352-D372 PolarHBondContact N-O 2.79Å; D352-D372 PolarHBondContact O-N 2.88Å; D352-I374 HydrophobicContact CB-CD1 3.88Å; D352-Y471 HydrophobicContact CB-CE2 4.43Å; D352-Y471 PolarHBondContact OD2-OH 3.2Å
353	G	96.7	Very high	91.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	-177.4	-170.9	0	0	0	0	0	114.5	Y310 Y368 L369 Y371	Y310-G353 PolarHBondContact N-O 2.88Å; Y310-G353 CarbonylContact O-C 3.58Å; Y310-G353 PolarHBondContact O-N 2.78Å; G353-Y368 WeakPolarHBondContact CA-OH 3.41Å; G353-Y368 PolarHBondContact N-OH 3.13Å; G353-L369 CarbonylContact C-O 3.5Å; G353-L369 WeakPolarHBondContact CA-O 3.29Å; G353-Y371 VanDerWaalsContact C-CE1 3.45Å
354	E	94.7	Very high	91.2	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130	-174.4	-172.3	162.8	-142.4	0	0	110.1	G307 V356 Y368 L369 Y371 K422	G307-E354 PolarHBondContact N-OE1 3.26Å; E354-V356 HydrophobicContact CG-CG1 4.13Å; E354-Y368 WeakPolarHBondContact O-CA 3.3Å; E354-L369 PolarHBondContact N-O 2.82Å; E354-L369 PolarHBondContact O-N 2.92Å; E354-Y371 HydrophobicContact CB-CE1 4.21Å; E354-K422 IonicContact OE2-NZ 2.74Å
355	L	94	Very high	91	Very high	26 Å²	26	54 Å²	54	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.1	173.8	-171.9	72.1	0	0	0	108.8	G307 T308 Y310 R367 Y368 F417	G307-L355 CarbonylContact C-O 3.55Å; G307-L355 VanDerWaalsContact CA-O 3.31Å; G307-L355 WeakPolarHBondContact CA-O 3.42Å; T308-L355 PolarHBondContact N-O 3.01Å; T308-L355 PolarHBondContact O-N 2.79Å; Y310-L355 HydrophobicContact CD2-CB 3.9Å; Y310-L355 HydrophobicContact CE2-CB 4.12Å; Y310-L355 HydrophobicContact CE2-CD2 4.13Å; L355-R367 CarbonylContact C-O 3.57Å; L355-R367 WeakPolarHBondContact CA-O 3.29Å; L355-Y368 HydrophobicContact CB-CD2 4.33Å; L355-F417 HydrophobicContact CD1-CB 4.23Å; L355-F417 HydrophobicContact CD1-CD1 4.13Å; L355-F417 HydrophobicContact CD1-CD2 4.08Å; L355-F417 HydrophobicContact CD1-CE2 4.46Å; L355-F417 HydrophobicContact CD1-CG 3.9Å
356	V	91.7	Very high	91	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.5	179.9	-57.8	0	0	0	0	110.4	A305 E354 P366 R367 L369 H457	A305-V356 HydrophobicContact CB-CG1 3.63Å; E354-V356 HydrophobicContact CG-CG1 4.13Å; V356-P366 CarbonylContact O-C 3.54Å; V356-P366 WeakPolarHBondContact O-CA 3.37Å; V356-R367 HydrophobicContact CG2-CB 4.12Å; V356-R367 WeakPolarHBondContact CG2-O 3.21Å; V356-R367 PolarHBondContact N-O 3.22Å; V356-R367 PolarHBondContact O-N 3.29Å; V356-L369 HydrophobicContact CG1-CD1 4.02Å; V356-L369 HydrophobicContact CG2-CD1 3.88Å; V356-L369 HydrophobicContact CG2-CG 3.99Å; V356-H457 HydrophobicContact CB-CB 4.19Å; V356-H457 HydrophobicContact CG2-CB 4.39Å
357	F	90.1	Very high	91	Very high	111 Å²	111	55.6 Å²	55.6	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.1	171.3	-70.7	-90.2	0	0	0	109.5	K364 P366 H457	F357-K364 HydrophobicContact CD1-CB 4.31Å; F357-P366 HydrophobicContact CD1-CB 4.06Å; F357-P366 HydrophobicContact CE1-CB 3.84Å; F357-H457 WeakPolarHBondContact O-CB 3.31Å
358	D	86.5	Confident	91.1	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.032	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.2	171.2	-72.4	-31	0	0	0	109.6	K364 T365 R367 S456 H457	D358-K364 CarbonylContact O-C 3.47Å; D358-K364 WeakPolarHBondContact O-CA 3.33Å; D358-T365 PolarHBondContact N-O 3.37Å; D358-T365 PolarHBondContact O-N 3.23Å; D358-R367 IonicContact OD2-CZ 2.6Å; D358-R367 IonicContact OD2-NE 3.29Å; D358-R367 PolarHBondContact OD2-NE 3.21Å; D358-R367 IonicContact OD2-NH2 3.47Å; D358-R367 PolarHBondContact OD2-NH2 2.89Å; D358-S456 CarbonylContact C-O 3.33Å; D358-S456 VanDerWaalsContact CA-O 3.25Å; D358-S456 WeakPolarHBondContact CA-O 3.44Å; D358-S456 VanDerWaalsContact CB-OG 3.3Å; D358-S456 WeakPolarHBondContact CB-OG 3.19Å; D358-S456 PolarHBondContact OD1-OG 3.35Å; D358-S456 PolarHBondContact OD2-OG 3.21Å; D358-H457 IonicContact OD1-CE1 3.97Å; D358-H457 IonicContact OD1-CG 3.37Å; D358-H457 IonicContact OD1-ND1 3.79Å; D358-H457 PolarHBondContact OD1-ND1 3.05Å
359	V	85	Confident	91.1	Very high	72 Å²	72	46.3 Å²	46.3	44%	0.436	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	173.4	-168.8	0	0	0	0	108.7	Q363 K364 S456	V359-Q363 WeakPolarHBondContact CA-O 3.3Å; V359-K364 HydrophobicContact CG2-CG 4.23Å; V359-S456 PolarHBondContact N-O 3.27Å
360	F	79.8	Confident	91.1	Very high	166 Å²	166	46.3 Å²	46.3	73%	0.728	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.7	172.4	-175.2	-97.3	0	0	0	109.1	G362 Q363	F360-G362 PolarHBondContact O-N 3.3Å; F360-G362 VanDerWaalsContact O-N 3.14Å; F360-Q363 PolarHBondContact N-O 2.85Å; F360-Q363 WeakPolarHBondContact O-CB 3.2Å; F360-Q363 PolarHBondContact O-N 3.33Å
361	A	81.4	Confident	91	Very high	101 Å²	101	48.1 Å²	48.1	84%	0.835	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	39.3	-175.7	0	0	0	0	0	113.6	Q363	A361-Q363 PolarHBondContact O-N 3.02Å
362	G	80.3	Confident	91	Very high	69 Å²	69	48.2 Å²	48.2	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-11.7	-177.6	0	0	0	0	0	115.5	F360	F360-G362 PolarHBondContact O-N 3.3Å; F360-G362 VanDerWaalsContact O-N 3.14Å
363	Q	84.9	Confident	91	Very high	140 Å²	140	48.2 Å²	48.2	65%	0.654	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.3	177.6	-173.4	175.9	-4.4	0	0	111	V359 F360 A361	V359-Q363 WeakPolarHBondContact CA-O 3.3Å; F360-Q363 PolarHBondContact N-O 2.85Å; F360-Q363 WeakPolarHBondContact O-CB 3.2Å; F360-Q363 PolarHBondContact O-N 3.33Å; A361-Q363 PolarHBondContact O-N 3.02Å
364	K	87.2	Confident	91	Very high	150 Å²	150	48.2 Å²	48.2	65%	0.652	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.6	174	-61.2	-167.7	176	-175.8	0	110.7	F357 D358 V359	F357-K364 HydrophobicContact CD1-CB 4.31Å; D358-K364 CarbonylContact O-C 3.47Å; D358-K364 WeakPolarHBondContact O-CA 3.33Å; V359-K364 HydrophobicContact CG2-CG 4.23Å
365	T	89.8	Confident	91.1	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.264	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.2	178.1	-57.4	0	0	0	0	109.8	D358	D358-T365 PolarHBondContact N-O 3.37Å; D358-T365 PolarHBondContact O-N 3.23Å
366	P	93.7	Very high	91.3	Very high	35 Å²	35	46.9 Å²	46.9	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.2	-179.8	29.9	-35.2	0	0	0	111.5	V356 F357 P416 F417 G418	V356-P366 CarbonylContact O-C 3.54Å; V356-P366 WeakPolarHBondContact O-CA 3.37Å; F357-P366 HydrophobicContact CD1-CB 4.06Å; F357-P366 HydrophobicContact CE1-CB 3.84Å; P366-P416 WeakPolarHBondContact CG-O 3.47Å; P366-F417 HydrophobicContact CB-CB 3.74Å; P366-F417 HydrophobicContact CG-CB 3.82Å; P366-F417 WeakPolarHBondContact O-CA 3.17Å; P366-F417 VanDerWaalsContact O-CB 3.29Å; P366-F417 WeakPolarHBondContact O-CB 3.34Å; P366-G418 PolarHBondContact O-N 3.14Å
367	R	93.7	Very high	91.4	Very high	29 Å²	29	49 Å²	49	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.5	178.7	-171.1	-177	-55.4	-64.3	-10.9	111.5	L355 V356 D358 L369 G418 R420	L355-R367 CarbonylContact C-O 3.57Å; L355-R367 WeakPolarHBondContact CA-O 3.29Å; V356-R367 HydrophobicContact CG2-CB 4.12Å; V356-R367 WeakPolarHBondContact CG2-O 3.21Å; V356-R367 PolarHBondContact N-O 3.22Å; V356-R367 PolarHBondContact O-N 3.29Å; D358-R367 IonicContact OD2-CZ 2.6Å; D358-R367 IonicContact OD2-NE 3.29Å; D358-R367 PolarHBondContact OD2-NE 3.21Å; D358-R367 IonicContact OD2-NH2 3.47Å; D358-R367 PolarHBondContact OD2-NH2 2.89Å; R367-L369 HydrophobicContact CG-CD2 4.09Å; R367-G418 CarbonylContact C-O 3.41Å; R367-G418 VanDerWaalsContact CA-O 3.27Å; R367-G418 WeakPolarHBondContact CA-O 3.02Å; R367-G418 WeakPolarHBondContact CG-O 3.22Å; R367-R420 HydrophobicContact CG-CG 4.46Å; R367-R420 VanDerWaalsContact NH1-CZ 3.3Å; R367-R420 VanDerWaalsContact NH1-NE 3.1Å
368	Y	97	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.3	171.2	-174.4	-110	0	0	0	110.4	Y310 M312 L322 V351 G353 E354 L355 I370 F417 G418 I419 R420	Y310-Y368 PolarHBondContact O-OH 3.38Å; M312-Y368 HydrophobicContact CB-CE1 3.88Å; M312-Y368 HydrophobicContact CE-CD1 3.45Å; M312-Y368 VanDerWaalsContact CE-CD1 3.45Å; M312-Y368 HydrophobicContact CE-CE1 3.61Å; M312-Y368 HydrophobicContact CE-CG 3.97Å; M312-Y368 PolarHBondContact N-OH 2.77Å; M312-Y368 HydrophobicContact SD-CD1 4.39Å; M312-Y368 HydrophobicContact SD-CE1 4.18Å; L322-Y368 HydrophobicContact CD2-CD2 4.42Å; L322-Y368 HydrophobicContact CD2-CE2 4.3Å; V351-Y368 HydrophobicContact CG2-CE1 4.11Å; G353-Y368 WeakPolarHBondContact CA-OH 3.41Å; G353-Y368 PolarHBondContact N-OH 3.13Å; E354-Y368 WeakPolarHBondContact O-CA 3.3Å; L355-Y368 HydrophobicContact CB-CD2 4.33Å; Y368-I370 HydrophobicContact CD1-CG1 3.82Å; Y368-I370 HydrophobicContact CE1-CD1 4.49Å; Y368-I370 HydrophobicContact CE1-CG1 3.62Å; Y368-F417 HydrophobicContact CG-CE2 4.38Å; Y368-G418 PolarHBondContact N-O 3.26Å; Y368-I419 HydrophobicContact CD1-CD1 4.19Å; Y368-I419 HydrophobicContact CD1-CG2 4.43Å; Y368-I419 HydrophobicContact CG-CD1 4.48Å; Y368-I419 WeakPolarHBondContact O-CA 3.34Å; Y368-R420 PolarHBondContact O-N 2.92Å
369	L	95.8	Very high	91.9	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	107.5	179.1	-59.2	-179.3	0	0	0	109.5	G353 E354 V356 R367 R420 K422	G353-L369 CarbonylContact C-O 3.5Å; G353-L369 WeakPolarHBondContact CA-O 3.29Å; E354-L369 PolarHBondContact N-O 2.82Å; E354-L369 PolarHBondContact O-N 2.92Å; V356-L369 HydrophobicContact CG1-CD1 4.02Å; V356-L369 HydrophobicContact CG2-CD1 3.88Å; V356-L369 HydrophobicContact CG2-CG 3.99Å; R367-L369 HydrophobicContact CG-CD2 4.09Å; L369-R420 CarbonylContact C-O 3.59Å; L369-R420 WeakPolarHBondContact CA-O 3.3Å; L369-R420 HydrophobicContact CD2-CB 4.05Å; L369-K422 HydrophobicContact CB-CB 4.27Å
370	I	97.8	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.4	175	-60.7	172.2	0	0	0	108.7	V351 Y368 I393 I397 I398 I419 R420 Q421 K422	V351-I370 HydrophobicContact CB-CG1 4.5Å; V351-I370 HydrophobicContact CB-CG2 3.87Å; V351-I370 HydrophobicContact CG1-CG2 4.18Å; V351-I370 HydrophobicContact CG2-CD1 4.1Å; V351-I370 HydrophobicContact CG2-CG1 4.1Å; V351-I370 HydrophobicContact CG2-CG2 4.39Å; Y368-I370 HydrophobicContact CD1-CG1 3.82Å; Y368-I370 HydrophobicContact CE1-CD1 4.49Å; Y368-I370 HydrophobicContact CE1-CG1 3.62Å; I370-I393 HydrophobicContact CB-CG2 4.18Å; I370-I393 HydrophobicContact CG2-CB 4.49Å; I370-I393 HydrophobicContact CG2-CD1 3.8Å; I370-I393 HydrophobicContact CG2-CG1 3.89Å; I370-I393 HydrophobicContact CG2-CG2 3.72Å; I370-I397 HydrophobicContact CD1-CG2 4.08Å; I370-I398 HydrophobicContact CD1-CD1 4.29Å; I370-I419 HydrophobicContact CD1-CG2 3.51Å; I370-I419 HydrophobicContact CG1-CG2 4.01Å; I370-R420 PolarHBondContact N-O 3.42Å; I370-Q421 CarbonylContact O-C 3.47Å; I370-Q421 WeakPolarHBondContact O-CA 3.13Å; I370-K422 PolarHBondContact O-N 2.83Å
371	Y	95.9	Very high	93	Very high	39 Å²	39	41.5 Å²	41.5	15%	0.153	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-18.8	177.7	56.6	-116.4	0	0	0	114.2	R309 D352 G353 E354 F386 K422	R309-Y371 PolarHBondContact NE-OH 2.88Å; R309-Y371 PolarHBondContact NH2-OH 3.41Å; D352-Y371 HydrophobicContact CB-CD2 4.19Å; D352-Y371 HydrophobicContact CB-CE2 3.56Å; D352-Y371 VanDerWaalsContact CG-OH 3.23Å; D352-Y371 PolarHBondContact O-N 2.91Å; D352-Y371 WeakPolarHBondContact OD1-CE2 3.34Å; D352-Y371 VanDerWaalsContact OD1-CZ 3.26Å; D352-Y371 PolarHBondContact OD1-OH 3.44Å; G353-Y371 VanDerWaalsContact C-CE1 3.45Å; E354-Y371 HydrophobicContact CB-CE1 4.21Å; Y371-F386 WeakPolarHBondContact O-CE2 3.46Å; Y371-K422 HydrophobicContact CD1-CD 4.15Å; Y371-K422 HydrophobicContact CG-CD 4.49Å
372	D	97.3	Very high	93.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.2	173.6	-145.3	-35.9	0	0	0	111.8	V351 D352 R389 Y471	V351-D372 WeakPolarHBondContact CA-O 3.34Å; D352-D372 HydrophobicContact CB-CB 4.17Å; D352-D372 PolarHBondContact N-O 2.79Å; D352-D372 PolarHBondContact O-N 2.88Å; D372-R389 IonicContact OD1-CZ 3.91Å; D372-R389 IonicContact OD1-NE 3.64Å; D372-R389 PolarHBondContact OD1-NE 2.78Å; D372-R389 IonicContact OD1-NH2 2.65Å; D372-R389 IonicContact OD2-CZ 2.77Å; D372-R389 IonicContact OD2-NE 2.97Å; D372-R389 PolarHBondContact OD2-NE 3.47Å; D372-R389 IonicContact OD2-NH2 3.14Å; D372-R389 PolarHBondContact OD2-NH2 2.83Å; D372-Y471 HydrophobicContact CB-CD2 4.16Å; D372-Y471 HydrophobicContact CB-CE2 4.14Å; D372-Y471 WeakPolarHBondContact OD2-CD2 3.5Å
373	V	97.6	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128	177.1	59.3	0	0	0	0	109.9	V351 A375 V381 R389 I392 I393 I397	V351-V373 HydrophobicContact CG1-CB 4.21Å; V351-V373 HydrophobicContact CG1-CG2 4.02Å; V373-A375 WeakPolarHBondContact CG2-O 3.23Å; V373-V381 HydrophobicContact CB-CG2 4.4Å; V373-V381 HydrophobicContact CG1-CG2 3.96Å; V373-V381 HydrophobicContact CG2-CG2 3.83Å; V373-R389 HydrophobicContact CG1-CB 3.77Å; V373-R389 HydrophobicContact CG1-CG 4.49Å; V373-R389 WeakPolarHBondContact CG1-O 3.38Å; V373-R389 WeakPolarHBondContact O-CD 3.41Å; V373-I392 HydrophobicContact CG1-CB 4.18Å; V373-I392 HydrophobicContact CG1-CG2 4.05Å; V373-I392 HydrophobicContact CG2-CG2 4.49Å; V373-I393 HydrophobicContact CB-CD1 4.27Å; V373-I393 HydrophobicContact CB-CG1 3.87Å; V373-I393 HydrophobicContact CG1-CD1 4.19Å; V373-I393 HydrophobicContact CG1-CG1 3.81Å; V373-I397 HydrophobicContact CG2-CD1 4.25Å
374	I	96.8	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-41.8	-176	-61.1	84.6	0	0	0	110.5	Y250 L311 L350 D352 V381 R382 Y471	Y250-I374 VanDerWaalsContact C-CG2 3.49Å; Y250-I374 WeakPolarHBondContact O-CG2 3.41Å; L311-I374 HydrophobicContact CD2-CD1 4.29Å; L350-I374 HydrophobicContact CB-CB 4.39Å; L350-I374 HydrophobicContact CD2-CB 4.07Å; L350-I374 HydrophobicContact CD2-CD1 4.46Å; L350-I374 HydrophobicContact CD2-CG1 4.44Å; L350-I374 HydrophobicContact CD2-CG2 4.24Å; L350-I374 HydrophobicContact CG-CB 4.3Å; L350-I374 HydrophobicContact CG-CD1 4.26Å; L350-I374 PolarHBondContact O-N 2.81Å; D352-I374 HydrophobicContact CB-CD1 3.88Å; I374-V381 PolarHBondContact O-N 2.95Å; I374-V381 VanDerWaalsContact O-N 3.16Å; I374-R382 HydrophobicContact CG2-CB 3.92Å; I374-R382 WeakPolarHBondContact O-CB 3.49Å; I374-R382 PolarHBondContact O-N 3.01Å; I374-Y471 HydrophobicContact CD1-CE1 4.23Å; I374-Y471 HydrophobicContact CD1-CE2 4.11Å; I374-Y471 HydrophobicContact CG1-CD1 3.75Å; I374-Y471 HydrophobicContact CG1-CD2 4.3Å; I374-Y471 HydrophobicContact CG1-CE1 3.53Å; I374-Y471 HydrophobicContact CG1-CE2 4.09Å; I374-Y471 HydrophobicContact CG1-CG 4.13Å
375	A	97.1	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.8	178.8	0	0	0	0	0	110.1	Y250 T349 L350 V373 D379	Y250-A375 HydrophobicContact CD1-CB 3.87Å; Y250-A375 HydrophobicContact CD2-CB 3.77Å; Y250-A375 HydrophobicContact CE1-CB 4.07Å; Y250-A375 HydrophobicContact CE2-CB 3.98Å; Y250-A375 HydrophobicContact CG-CB 3.71Å; T349-A375 CarbonylContact C-O 3.58Å; T349-A375 VanDerWaalsContact CA-O 3.3Å; T349-A375 WeakPolarHBondContact CA-O 3.47Å; T349-A375 WeakPolarHBondContact CG2-O 3.32Å; L350-A375 HydrophobicContact CB-CB 4.19Å; L350-A375 PolarHBondContact N-O 2.9Å; L350-A375 PolarHBondContact O-N 3.33Å; V373-A375 WeakPolarHBondContact CG2-O 3.23Å; A375-D379 CarbonylContact C-O 3.22Å; A375-D379 VanDerWaalsContact CA-O 3.25Å; A375-D379 WeakPolarHBondContact CA-O 3.41Å
376	Y	97.2	Very high	94.9	Very high	14 Å²	14	31.2 Å²	31.2	6%	0.055	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-137.3	120.7	177.1	176.3	-95.2	0	0	0	109	L346 T349 G378 D379 I392 R396 I397	L346-Y376 HydrophobicContact CD1-CD2 4.2Å; L346-Y376 HydrophobicContact CD1-CE2 3.58Å; T349-Y376 HydrophobicContact CG2-CD2 4.23Å; Y376-G378 PolarHBondContact O-N 2.91Å; Y376-G378 VanDerWaalsContact O-N 3.12Å; Y376-D379 PolarHBondContact N-O 3.09Å; Y376-D379 WeakPolarHBondContact O-CB 3.14Å; Y376-D379 PolarHBondContact O-N 3.01Å; Y376-I392 HydrophobicContact CD2-CG2 4Å; Y376-I392 HydrophobicContact CG-CG2 4.03Å; Y376-R396 HydrophobicContact CD2-CB 4.5Å; Y376-R396 HydrophobicContact CE1-CB 4.45Å; Y376-R396 HydrophobicContact CE2-CB 3.65Å; Y376-I397 HydrophobicContact CD2-CD1 4.47Å; Y376-I397 HydrophobicContact CD2-CG1 4.29Å; Y376-I397 HydrophobicContact CE2-CG1 4.25Å
377	C	95.5	Very high	94.6	Very high	45 Å²	45	31.9 Å²	31.9	30%	0.304	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.9	-177.3	-66.3	0	0	0	0	114.7	L339 L346 T347 R348 T349 D379	L339-C377 VanDerWaalsContact CD2-SG 3.56Å; L346-C377 VanDerWaalsContact CD1-SG 3.51Å; T347-C377 WeakPolarHBondContact O-CA 3.48Å; T347-C377 PolarHBondContact O-N 3.15Å; R348-C377 PolarHBondContact O-N 3.41Å; T349-C377 PolarHBondContact OG1-N 3.18Å; C377-D379 VanDerWaalsContact C-N 3.32Å
378	G	91.8	Very high	94.6	Very high	26 Å²	26	32.5 Å²	32.5	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-14.5	-176	0	0	0	0	0	114.8	R348 Y376	R348-G378 PolarHBondContact O-N 2.77Å; Y376-G378 PolarHBondContact O-N 2.91Å; Y376-G378 VanDerWaalsContact O-N 3.12Å
379	D	94.1	Very high	94.5	Very high	99 Å²	99	32.6 Å²	32.6	53%	0.529	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-76.9	132.4	174.2	-65.7	-27.6	0	0	0	110.6	A375 Y376 C377 V381	A375-D379 CarbonylContact C-O 3.22Å; A375-D379 VanDerWaalsContact CA-O 3.25Å; A375-D379 WeakPolarHBondContact CA-O 3.41Å; Y376-D379 PolarHBondContact N-O 3.09Å; Y376-D379 WeakPolarHBondContact O-CB 3.14Å; Y376-D379 PolarHBondContact O-N 3.01Å; C377-D379 VanDerWaalsContact C-N 3.32Å; D379-V381 VanDerWaalsContact C-N 3.34Å; D379-V381 HydrophobicContact CB-CG1 4.38Å; D379-V381 PolarHBondContact O-N 3.25Å
380	L	93.1	Very high	94.3	Very high	69 Å²	69	33.6 Å²	33.6	36%	0.361	17%	0.169	S	C	.	.			trans	-76.1	81.2	176	-70.9	176.5	0	0	0	111.1	Y250 R382	Y250-L380 HydrophobicContact CD1-CD2 3.6Å; Y250-L380 HydrophobicContact CE1-CD2 4.33Å; Y250-L380 HydrophobicContact CG-CD2 4.4Å; L380-R382 HydrophobicContact CB-CG 4.38Å; L380-R382 PolarHBondContact O-N 3.13Å
381	V	94.9	Very high	94.1	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.018	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-75	-10.2	179.7	-60.4	0	0	0	0	113.8	V373 I374 D379 E383 R384 R389 I392	V373-V381 HydrophobicContact CB-CG2 4.4Å; V373-V381 HydrophobicContact CG1-CG2 3.96Å; V373-V381 HydrophobicContact CG2-CG2 3.83Å; I374-V381 PolarHBondContact O-N 2.95Å; I374-V381 VanDerWaalsContact O-N 3.16Å; D379-V381 VanDerWaalsContact C-N 3.34Å; D379-V381 HydrophobicContact CB-CG1 4.38Å; D379-V381 PolarHBondContact O-N 3.25Å; V381-E383 PolarHBondContact O-N 3.21Å; V381-E383 VanDerWaalsContact O-N 3.1Å; V381-R384 VanDerWaalsContact O-CB 3.31Å; V381-R384 WeakPolarHBondContact O-CB 3.31Å; V381-R384 WeakPolarHBondContact O-CG 3.31Å; V381-R384 PolarHBondContact O-N 2.72Å; V381-R389 WeakPolarHBondContact O-CD 3.5Å; V381-R389 WeakPolarHBondContact O-CG 3.4Å; V381-I392 HydrophobicContact CB-CD1 3.84Å; V381-I392 HydrophobicContact CG1-CD1 3.78Å; V381-I392 HydrophobicContact CG2-CD1 4.32Å
382	R	93.1	Very high	94.1	Very high	15 Å²	15	34.3 Å²	34.3	6%	0.057	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-51.9	-27.8	172.5	71.6	-174.6	-170.7	163.7	2.4	114.3	Y250 C251 N252 I374 L380 R384 P470 Y471	Y250-R382 WeakPolarHBondContact O-CD 3.46Å; Y250-R382 PolarHBondContact O-NH1 3.06Å; C251-R382 PolarHBondContact O-NH1 3.04Å; N252-R382 VanDerWaalsContact O-CZ 3.26Å; N252-R382 PolarHBondContact O-NH1 3.31Å; N252-R382 PolarHBondContact O-NH2 2.94Å; I374-R382 HydrophobicContact CG2-CB 3.92Å; I374-R382 WeakPolarHBondContact O-CB 3.49Å; I374-R382 PolarHBondContact O-N 3.01Å; L380-R382 HydrophobicContact CB-CG 4.38Å; L380-R382 PolarHBondContact O-N 3.13Å; R382-R384 VanDerWaalsContact C-N 3.27Å; R382-P470 CarbonylContact O-C 3.26Å; R382-P470 VanDerWaalsContact O-CA 3.32Å; R382-P470 WeakPolarHBondContact O-CA 3.48Å; R382-P470 WeakPolarHBondContact O-CB 3.49Å; R382-Y471 PolarHBondContact O-N 2.59Å
383	E	90.9	Very high	94.1	Very high	105 Å²	105	34.2 Å²	34.2	49%	0.491	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-78.2	-14.7	-178.3	-60.9	-174.6	175.3	0	0	112.5	V381	V381-E383 PolarHBondContact O-N 3.21Å; V381-E383 VanDerWaalsContact O-N 3.1Å
384	R	92.7	Very high	94	Very high	115 Å²	115	39.7 Å²	39.7	43%	0.434	19%	0.194	S	C	.	.	S	Bend	trans	-78	159.2	175.8	-55.3	-177.4	179.5	-142.7	-1.8	110.6	V381 R382 D388 R389	V381-R384 VanDerWaalsContact O-CB 3.31Å; V381-R384 WeakPolarHBondContact O-CB 3.31Å; V381-R384 WeakPolarHBondContact O-CG 3.31Å; V381-R384 PolarHBondContact O-N 2.72Å; R382-R384 VanDerWaalsContact C-N 3.27Å; R384-D388 HydrophobicContact CB-CB 4.02Å; R384-R389 HydrophobicContact CB-CG 4.24Å; R384-R389 PolarHBondContact O-NH1 3Å
385	L	92.7	Very high	93.9	Very high	52 Å²	52	45.4 Å²	45.4	27%	0.272	22%	0.219	S	C	.	.			trans	-62.9	152.6	174.7	-53.4	-176.7	0	0	0	110.9	H387 D388 R389	L385-H387 VanDerWaalsContact C-N 3.25Å; L385-H387 PolarHBondContact O-N 2.92Å; L385-D388 WeakPolarHBondContact O-CB 3.4Å; L385-D388 PolarHBondContact O-N 2.82Å; L385-R389 WeakPolarHBondContact O-CG 3.2Å; L385-R389 PolarHBondContact O-N 2.82Å; L385-R389 VanDerWaalsContact O-N 3.13Å
386	F	93.6	Very high	93.9	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-38	-175	174.8	-110.8	0	0	0	112.6	M300 Y371 D388 R389 H390 F424 Q465 V467	M300-F386 HydrophobicContact CB-CE1 4.49Å; M300-F386 HydrophobicContact SD-CD1 4.18Å; M300-F386 HydrophobicContact SD-CE1 3.99Å; Y371-F386 WeakPolarHBondContact O-CE2 3.46Å; F386-D388 VanDerWaalsContact C-N 3.3Å; F386-D388 PolarHBondContact O-N 2.83Å; F386-R389 PolarHBondContact O-N 2.81Å; F386-H390 WeakPolarHBondContact O-CB 3.38Å; F386-H390 PolarHBondContact O-N 3.29Å; F386-F424 HydrophobicContact CE1-CB 4.38Å; F386-F424 AromaticContact CE1-CD1 3.98Å; F386-F424 HydrophobicContact CE1-CD1 3.98Å; F386-F424 HydrophobicContact CE1-CD2 4.38Å; F386-F424 HydrophobicContact CE1-CE1 4.34Å; F386-F424 AromaticContact CE1-CG 4Å; F386-F424 HydrophobicContact CE1-CG 4Å; F386-F424 AromaticContact CZ-CD1 3.94Å; F386-F424 HydrophobicContact CZ-CD1 3.94Å; F386-F424 AromaticContact CZ-CD2 3.82Å; F386-F424 HydrophobicContact CZ-CD2 3.82Å; F386-F424 AromaticContact CZ-CE1 3.94Å; F386-F424 HydrophobicContact CZ-CE1 3.94Å; F386-F424 AromaticContact CZ-CE2 3.82Å; F386-F424 HydrophobicContact CZ-CE2 3.82Å; F386-F424 AromaticContact CZ-CG 3.87Å; F386-F424 HydrophobicContact CZ-CG 3.87Å; F386-F424 AromaticContact CZ-CZ 3.87Å; F386-F424 HydrophobicContact CZ-CZ 3.87Å; F386-Q465 HydrophobicContact CB-CG 4.46Å; F386-Q465 HydrophobicContact CD1-CB 4.5Å; F386-Q465 HydrophobicContact CD1-CG 3.65Å; F386-Q465 HydrophobicContact CD2-CG 3.64Å; F386-Q465 HydrophobicContact CE1-CB 4.21Å; F386-Q465 HydrophobicContact CE1-CG 3.67Å; F386-Q465 HydrophobicContact CE2-CG 3.65Å; F386-Q465 HydrophobicContact CG-CG 3.64Å; F386-Q465 HydrophobicContact CZ-CB 4.32Å; F386-Q465 HydrophobicContact CZ-CG 3.67Å; F386-V467 PolarHBondContact N-O 2.59Å
387	H	88.4	Confident	93.8	Very high	49 Å²	49	49.9 Å²	49.9	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-42.9	175.6	174.8	-92.7	0	0	0	112.3	L385 H390 E391 V467	L385-H387 VanDerWaalsContact C-N 3.25Å; L385-H387 PolarHBondContact O-N 2.92Å; H387-H390 PolarHBondContact O-N 2.79Å; H387-E391 WeakPolarHBondContact O-CB 3.39Å; H387-E391 PolarHBondContact O-N 2.82Å; H387-V467 HydrophobicContact CB-CG1 3.97Å
388	D	92.3	Very high	93.9	Very high	42 Å²	42	49 Å²	49	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-37.3	178.5	-64.2	-20.5	0	0	0	111.6	R384 L385 F386 E391 I392	R384-D388 HydrophobicContact CB-CB 4.02Å; L385-D388 WeakPolarHBondContact O-CB 3.4Å; L385-D388 PolarHBondContact O-N 2.82Å; F386-D388 VanDerWaalsContact C-N 3.3Å; F386-D388 PolarHBondContact O-N 2.83Å; D388-E391 PolarHBondContact O-N 3.44Å; D388-I392 WeakPolarHBondContact O-CD1 3.23Å; D388-I392 VanDerWaalsContact O-CG1 3.26Å; D388-I392 WeakPolarHBondContact O-CG1 3.44Å; D388-I392 PolarHBondContact O-N 2.69Å
389	R	95.4	Very high	94	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-44.6	174.7	-59.1	-166.5	-46.5	-97.9	7.2	110.9	D372 V373 V381 R384 L385 F386 E391 I392 I393 E469	D372-R389 IonicContact OD1-CZ 3.91Å; D372-R389 IonicContact OD1-NE 3.64Å; D372-R389 PolarHBondContact OD1-NE 2.78Å; D372-R389 IonicContact OD1-NH2 2.65Å; D372-R389 IonicContact OD2-CZ 2.77Å; D372-R389 IonicContact OD2-NE 2.97Å; D372-R389 PolarHBondContact OD2-NE 3.47Å; D372-R389 IonicContact OD2-NH2 3.14Å; D372-R389 PolarHBondContact OD2-NH2 2.83Å; V373-R389 HydrophobicContact CG1-CB 3.77Å; V373-R389 HydrophobicContact CG1-CG 4.49Å; V373-R389 WeakPolarHBondContact CG1-O 3.38Å; V373-R389 WeakPolarHBondContact O-CD 3.41Å; V381-R389 WeakPolarHBondContact O-CD 3.5Å; V381-R389 WeakPolarHBondContact O-CG 3.4Å; R384-R389 HydrophobicContact CB-CG 4.24Å; R384-R389 PolarHBondContact O-NH1 3Å; L385-R389 WeakPolarHBondContact O-CG 3.2Å; L385-R389 PolarHBondContact O-N 2.82Å; L385-R389 VanDerWaalsContact O-N 3.13Å; F386-R389 PolarHBondContact O-N 2.81Å; R389-E391 VanDerWaalsContact C-N 3.27Å; R389-E391 PolarHBondContact O-N 2.98Å; R389-I392 WeakPolarHBondContact O-CB 3.32Å; R389-I392 PolarHBondContact O-N 2.89Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 2.81Å; R389-E469 PolarHBondContact NH1-O 3.1Å
390	H	92.7	Very high	94.2	Very high	29 Å²	29	44.7 Å²	44.7	13%	0.134	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-37.6	174.8	-164.6	-99.9	0	0	0	111.6	F386 H387 I393 R394 Q421 K422 F424	F386-H390 WeakPolarHBondContact O-CB 3.38Å; F386-H390 PolarHBondContact O-N 3.29Å; H387-H390 PolarHBondContact O-N 2.79Å; H390-I393 WeakPolarHBondContact O-CB 3.48Å; H390-I393 PolarHBondContact O-N 2.91Å; H390-R394 PolarHBondContact O-N 3Å; H390-Q421 PolarHBondContact CD2-NE2 3.05Å; H390-Q421 VanDerWaalsContact CD2-NE2 3.27Å; H390-Q421 PolarHBondContact CE1-NE2 3.34Å; H390-Q421 VanDerWaalsContact CG-NE2 3.33Å; H390-Q421 PolarHBondContact ND1-NE2 2.61Å; H390-Q421 VanDerWaalsContact ND1-NE2 3.16Å; H390-Q421 PolarHBondContact NE2-NE2 3.39Å; H390-Q421 PolarHBondContact O-NE2 3Å; H390-K422 PolarHBondContact NE2-O 2.97Å; H390-F424 AromaticContact CD2-CD2 3.92Å; H390-F424 AromaticContact NE2-CD2 3.69Å
391	E	93.1	Very high	94.2	Very high	45 Å²	45	41.7 Å²	41.7	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-72.7	-35.1	176.9	-176.9	61.1	148.6	0	0	113.3	H387 D388 R389 I393 R394 K395	H387-E391 WeakPolarHBondContact O-CB 3.39Å; H387-E391 PolarHBondContact O-N 2.82Å; D388-E391 PolarHBondContact O-N 3.44Å; R389-E391 VanDerWaalsContact C-N 3.27Å; R389-E391 PolarHBondContact O-N 2.98Å; E391-I393 VanDerWaalsContact C-N 3.33Å; E391-R394 PolarHBondContact O-N 2.71Å; E391-R394 IonicContact OE1-CZ 2.87Å; E391-R394 IonicContact OE1-NE 2.65Å; E391-R394 IonicContact OE1-NH2 2.85Å; E391-R394 PolarHBondContact OE1-NH2 2.87Å; E391-R394 IonicContact OE2-CZ 2.8Å; E391-R394 IonicContact OE2-NE 3.86Å; E391-R394 PolarHBondContact OE2-NE 2.62Å; E391-R394 IonicContact OE2-NH2 3.74Å; E391-R394 PolarHBondContact OE2-NH2 2.73Å; E391-K395 HydrophobicContact CG-CD 3.95Å; E391-K395 HydrophobicContact CG-CG 4.43Å; E391-K395 WeakPolarHBondContact O-CB 3.45Å; E391-K395 PolarHBondContact O-N 2.96Å; E391-K395 VanDerWaalsContact OE1-CD 3.23Å; E391-K395 WeakPolarHBondContact OE1-CD 3.04Å; E391-K395 WeakPolarHBondContact OE1-CE 3.49Å; E391-K395 IonicContact OE1-NZ 2.68Å; E391-K395 PolarHBondContact OE1-NZ 3.37Å
392	I	95.8	Very high	94.2	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-46.2	169.8	-72.1	159.4	0	0	0	110.1	V373 Y376 V381 D388 R389 R394 R396 I397	V373-I392 HydrophobicContact CG1-CB 4.18Å; V373-I392 HydrophobicContact CG1-CG2 4.05Å; V373-I392 HydrophobicContact CG2-CG2 4.49Å; Y376-I392 HydrophobicContact CD2-CG2 4Å; Y376-I392 HydrophobicContact CG-CG2 4.03Å; V381-I392 HydrophobicContact CB-CD1 3.84Å; V381-I392 HydrophobicContact CG1-CD1 3.78Å; V381-I392 HydrophobicContact CG2-CD1 4.32Å; D388-I392 WeakPolarHBondContact O-CD1 3.23Å; D388-I392 VanDerWaalsContact O-CG1 3.26Å; D388-I392 WeakPolarHBondContact O-CG1 3.44Å; D388-I392 PolarHBondContact O-N 2.69Å; R389-I392 WeakPolarHBondContact O-CB 3.32Å; R389-I392 PolarHBondContact O-N 2.89Å; I392-R394 PolarHBondContact O-N 2.59Å; I392-R396 HydrophobicContact CG2-CB 4.45Å; I392-R396 WeakPolarHBondContact O-CA 3.19Å; I392-R396 VanDerWaalsContact O-CB 3.23Å; I392-R396 WeakPolarHBondContact O-CB 3.38Å; I392-R396 PolarHBondContact O-N 3.3Å; I392-I397 PolarHBondContact O-N 2.66Å
393	I	97	Very high	94.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-57.4	-51.2	176.6	-65.1	159.3	0	0	0	110.2	I370 V373 R389 H390 E391 I397 I398 Q421	I370-I393 HydrophobicContact CB-CG2 4.18Å; I370-I393 HydrophobicContact CG2-CB 4.49Å; I370-I393 HydrophobicContact CG2-CD1 3.8Å; I370-I393 HydrophobicContact CG2-CG1 3.89Å; I370-I393 HydrophobicContact CG2-CG2 3.72Å; V373-I393 HydrophobicContact CB-CD1 4.27Å; V373-I393 HydrophobicContact CB-CG1 3.87Å; V373-I393 HydrophobicContact CG1-CD1 4.19Å; V373-I393 HydrophobicContact CG1-CG1 3.81Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 2.81Å; H390-I393 WeakPolarHBondContact O-CB 3.48Å; H390-I393 PolarHBondContact O-N 2.91Å; E391-I393 VanDerWaalsContact C-N 3.33Å; I393-I397 WeakPolarHBondContact O-CB 3.06Å; I393-I397 PolarHBondContact O-N 3.31Å; I393-I398 HydrophobicContact CG2-CG1 4.09Å; I393-I398 PolarHBondContact O-N 3.35Å; I393-Q421 HydrophobicContact CG2-CB 3.98Å; I393-Q421 HydrophobicContact CG2-CG 3.86Å
394	R	95.3	Very high	94.4	Very high	116 Å²	116	44.1 Å²	44.1	44%	0.438	21%	0.207	S	C	.	.	I	π-helix	trans	-63.2	-56.2	-175.6	-166.6	-172.9	64.3	81.5	-6.7	112.2	H390 E391 I392 G399 Q421	H390-R394 PolarHBondContact O-N 3Å; E391-R394 PolarHBondContact O-N 2.71Å; E391-R394 IonicContact OE1-CZ 2.87Å; E391-R394 IonicContact OE1-NE 2.65Å; E391-R394 IonicContact OE1-NH2 2.85Å; E391-R394 PolarHBondContact OE1-NH2 2.87Å; E391-R394 IonicContact OE2-CZ 2.8Å; E391-R394 IonicContact OE2-NE 3.86Å; E391-R394 PolarHBondContact OE2-NE 2.62Å; E391-R394 IonicContact OE2-NH2 3.74Å; E391-R394 PolarHBondContact OE2-NH2 2.73Å; I392-R394 PolarHBondContact O-N 2.59Å; R394-G399 PolarHBondContact O-N 3.49Å; R394-Q421 VanDerWaalsContact CA-OE1 3.24Å
395	K	95	Very high	94.4	Very high	119 Å²	119	41.5 Å²	41.5	52%	0.517	20%	0.202	S	C	.	.	I	π-helix	trans	-78.1	-36.8	-173.1	-77.9	179.9	161.9	143.9	0	113.4	E391 P400	E391-K395 HydrophobicContact CG-CD 3.95Å; E391-K395 HydrophobicContact CG-CG 4.43Å; E391-K395 WeakPolarHBondContact O-CB 3.45Å; E391-K395 PolarHBondContact O-N 2.96Å; E391-K395 VanDerWaalsContact OE1-CD 3.23Å; E391-K395 WeakPolarHBondContact OE1-CD 3.04Å; E391-K395 WeakPolarHBondContact OE1-CE 3.49Å; E391-K395 IonicContact OE1-NZ 2.68Å; E391-K395 PolarHBondContact OE1-NZ 3.37Å; K395-P400 WeakPolarHBondContact O-CD 3.37Å
396	R	96.3	Very high	94.4	Very high	106 Å²	106	43.5 Å²	43.5	40%	0.4	22%	0.22	S	C	.	.	I	π-helix	trans	-109.3	-13.6	-166.3	-55.2	-170.5	176.5	-167.5	-3.6	114.9	Y376 I392	Y376-R396 HydrophobicContact CD2-CB 4.5Å; Y376-R396 HydrophobicContact CE1-CB 4.45Å; Y376-R396 HydrophobicContact CE2-CB 3.65Å; I392-R396 HydrophobicContact CG2-CB 4.45Å; I392-R396 WeakPolarHBondContact O-CA 3.19Å; I392-R396 VanDerWaalsContact O-CB 3.23Å; I392-R396 WeakPolarHBondContact O-CB 3.38Å; I392-R396 PolarHBondContact O-N 3.3Å
397	I	96.9	Very high	94.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	I	π-helix	trans	-116.1	-55.1	177.8	-54.2	-179	0	0	0	110.5	F337 L346 T349 V351 I370 V373 Y376 I392 I393 R401	F337-I397 HydrophobicContact CD1-CG2 4.05Å; F337-I397 HydrophobicContact CE1-CG2 4.11Å; L346-I397 HydrophobicContact CD2-CG1 4.48Å; T349-I397 HydrophobicContact CG2-CD1 4.1Å; V351-I397 HydrophobicContact CG1-CD1 3.55Å; I370-I397 HydrophobicContact CD1-CG2 4.08Å; V373-I397 HydrophobicContact CG2-CD1 4.25Å; Y376-I397 HydrophobicContact CD2-CD1 4.47Å; Y376-I397 HydrophobicContact CD2-CG1 4.29Å; Y376-I397 HydrophobicContact CE2-CG1 4.25Å; I392-I397 PolarHBondContact O-N 2.66Å; I393-I397 WeakPolarHBondContact O-CB 3.06Å; I393-I397 PolarHBondContact O-N 3.31Å; I397-R401 VanDerWaalsContact O-CG 3.32Å; I397-R401 WeakPolarHBondContact O-CG 3.26Å
398	I	96.3	Very high	94.4	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.138	27%	0.266	C	S	.	.	I	π-helix	trans	-76.2	-44.1	-178.9	-61.4	-54.7	0	0	0	111.7	I370 I393 R401 T402 I419 Q421	I370-I398 HydrophobicContact CD1-CD1 4.29Å; I393-I398 HydrophobicContact CG2-CG1 4.09Å; I393-I398 PolarHBondContact O-N 3.35Å; I398-R401 PolarHBondContact O-N 3.22Å; I398-R401 VanDerWaalsContact O-N 3.16Å; I398-T402 PolarHBondContact O-N 3.02Å; I398-T402 PolarHBondContact O-OG1 2.91Å; I398-T402 VanDerWaalsContact O-OG1 3.1Å; I398-I419 HydrophobicContact CD1-CG2 3.99Å; I398-Q421 HydrophobicContact CG1-CB 3.93Å
399	G	95.5	Very high	94.2	Very high	30 Å²	30	54.5 Å²	54.5	31%	0.309	27%	0.27	S	S	.	.	H	α-helix	trans	-49.2	-58.2	178.1	0	0	0	0	0	113.6	R394 R401 T402 E403	R394-G399 PolarHBondContact O-N 3.49Å; G399-R401 VanDerWaalsContact C-N 3.27Å; G399-R401 PolarHBondContact O-N 2.9Å; G399-T402 PolarHBondContact O-N 3.02Å; G399-T402 VanDerWaalsContact O-N 3.14Å; G399-E403 PolarHBondContact O-N 3.42Å
400	P	96.4	Very high	94	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-33.2	179.7	-26	36.3	0	0	0	113.3	L338 P340 K395 A404	L338-P400 WeakPolarHBondContact O-CB 3.44Å; P340-P400 HydrophobicContact CB-CG 4.17Å; P340-P400 HydrophobicContact CG-CG 3.81Å; K395-P400 WeakPolarHBondContact O-CD 3.37Å; P400-A404 VanDerWaalsContact O-CB 3.23Å; P400-A404 WeakPolarHBondContact O-CB 3.34Å; P400-A404 PolarHBondContact O-N 3.19Å
401	R	95.1	Very high	93.8	Very high	7 Å²	7	56.1 Å²	56.1	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-42.1	175.2	-69.3	-174.5	83.5	-101	-0.7	112.1	T336 F337 I397 I398 G399 E403 A404 L405 I410 E415 I419	T336-R401 PolarHBondContact O-NE 3.48Å; T336-R401 VanDerWaalsContact O-NE 3.11Å; F337-R401 HydrophobicContact CD1-CG 4.34Å; I397-R401 VanDerWaalsContact O-CG 3.32Å; I397-R401 WeakPolarHBondContact O-CG 3.26Å; I398-R401 PolarHBondContact O-N 3.22Å; I398-R401 VanDerWaalsContact O-N 3.16Å; G399-R401 VanDerWaalsContact C-N 3.27Å; G399-R401 PolarHBondContact O-N 2.9Å; R401-E403 VanDerWaalsContact C-N 3.33Å; R401-A404 PolarHBondContact O-N 2.83Å; R401-L405 WeakPolarHBondContact O-CB 3.4Å; R401-L405 VanDerWaalsContact O-CG 3.27Å; R401-L405 WeakPolarHBondContact O-CG 3.49Å; R401-L405 PolarHBondContact O-N 3.16Å; R401-I410 HydrophobicContact CB-CD1 4.44Å; R401-I410 HydrophobicContact CG-CD1 4.38Å; R401-E415 IonicContact CZ-OE1 3.79Å; R401-E415 IonicContact CZ-OE2 2.69Å; R401-E415 IonicContact NH2-OE1 2.73Å; R401-E415 PolarHBondContact NH2-OE1 2.8Å; R401-E415 IonicContact NH2-OE2 3.55Å; R401-E415 PolarHBondContact NH2-OE2 3.46Å; R401-I419 VanDerWaalsContact CZ-CG1 3.48Å; R401-I419 VanDerWaalsContact NH1-CB 3.34Å
402	T	94	Very high	93.7	Very high	83 Å²	83	57.3 Å²	57.3	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-44.8	176.2	-59.9	0	0	0	0	110.7	I398 G399 L405 S406	I398-T402 PolarHBondContact O-N 3.02Å; I398-T402 PolarHBondContact O-OG1 2.91Å; I398-T402 VanDerWaalsContact O-OG1 3.1Å; G399-T402 PolarHBondContact O-N 3.02Å; G399-T402 VanDerWaalsContact O-N 3.14Å; T402-L405 PolarHBondContact O-N 3.34Å; T402-S406 PolarHBondContact O-N 2.8Å
403	E	94.4	Very high	93.3	Very high	90 Å²	90	64.6 Å²	64.6	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-49.5	174.4	-170.4	-162.9	130.5	0	0	111.1	G399 R401 L405 S406 S407 R409	G399-E403 PolarHBondContact O-N 3.42Å; R401-E403 VanDerWaalsContact C-N 3.33Å; E403-L405 VanDerWaalsContact C-N 3.34Å; E403-L405 PolarHBondContact O-N 2.63Å; E403-S406 PolarHBondContact O-N 2.74Å; E403-S406 VanDerWaalsContact O-N 3.13Å; E403-S406 PolarHBondContact O-OG 2.84Å; E403-S407 PolarHBondContact O-N 2.73Å; E403-S407 PolarHBondContact O-OG 2.84Å; E403-R409 IonicContact OE1-NH2 3.58Å; E403-R409 PolarHBondContact OE1-NH2 2.98Å
404	A	93.7	Very high	93	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-31.6	-179.4	0	0	0	0	0	113.8	L338 P400 R401 S407 K408 R409 I410	L338-A404 HydrophobicContact CD1-CB 3.77Å; P400-A404 VanDerWaalsContact O-CB 3.23Å; P400-A404 WeakPolarHBondContact O-CB 3.34Å; P400-A404 PolarHBondContact O-N 3.19Å; R401-A404 PolarHBondContact O-N 2.83Å; A404-S407 PolarHBondContact O-OG 2.77Å; A404-K408 PolarHBondContact O-N 3.37Å; A404-R409 HydrophobicContact CB-CB 4.06Å; A404-R409 WeakPolarHBondContact O-CA 3.5Å; A404-R409 PolarHBondContact O-N 2.81Å; A404-I410 HydrophobicContact CB-CD1 3.7Å; A404-I410 HydrophobicContact CB-CG1 3.76Å; A404-I410 PolarHBondContact O-N 3.32Å
405	L	92.8	Very high	92.8	Very high	61 Å²	61	67.8 Å²	67.8	32%	0.319	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-45.5	170.2	-77.7	164.1	0	0	0	110.9	R401 T402 E403 S407 K408 I410 R412	R401-L405 WeakPolarHBondContact O-CB 3.4Å; R401-L405 VanDerWaalsContact O-CG 3.27Å; R401-L405 WeakPolarHBondContact O-CG 3.49Å; R401-L405 PolarHBondContact O-N 3.16Å; T402-L405 PolarHBondContact O-N 3.34Å; E403-L405 VanDerWaalsContact C-N 3.34Å; E403-L405 PolarHBondContact O-N 2.63Å; L405-S407 VanDerWaalsContact C-N 3.32Å; L405-S407 PolarHBondContact O-N 2.97Å; L405-K408 PolarHBondContact O-N 3.38Å; L405-I410 HydrophobicContact CD2-CB 3.9Å; L405-I410 HydrophobicContact CD2-CG2 3.6Å; L405-I410 HydrophobicContact CG-CB 4.12Å; L405-I410 HydrophobicContact CG-CG2 4.16Å; L405-R412 HydrophobicContact CD2-CB 4.07Å
406	S	92.5	Very high	92.6	Very high	93 Å²	93	65.1 Å²	65.1	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-64.1	-36.9	179.3	74.5	0	0	0	0	112.6	T402 E403 K408	T402-S406 PolarHBondContact O-N 2.8Å; E403-S406 PolarHBondContact O-N 2.74Å; E403-S406 VanDerWaalsContact O-N 3.13Å; E403-S406 PolarHBondContact O-OG 2.84Å; S406-K408 VanDerWaalsContact C-N 3.28Å; S406-K408 PolarHBondContact O-N 2.8Å
407	S	92.4	Very high	92.5	Very high	59 Å²	59	60.9 Å²	60.9	41%	0.413	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.7	178.5	79.5	0	0	0	0	113.5	E403 A404 L405 R409	E403-S407 PolarHBondContact O-N 2.73Å; E403-S407 PolarHBondContact O-OG 2.84Å; A404-S407 PolarHBondContact O-OG 2.77Å; L405-S407 VanDerWaalsContact C-N 3.32Å; L405-S407 PolarHBondContact O-N 2.97Å; S407-R409 PolarHBondContact O-N 3.02Å; S407-R409 VanDerWaalsContact O-N 3.07Å; S407-R409 WeakPolarHBondContact OG-CG 2.9Å; S407-R409 PolarHBondContact OG-NE 2.72Å
408	K	89.8	Confident	92.3	Very high	181 Å²	181	60.9 Å²	60.9	79%	0.787	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	19.9	-178.2	-57.1	178.4	-178.8	173.8	0	115.5	A404 L405 S406 I410	A404-K408 PolarHBondContact O-N 3.37Å; L405-K408 PolarHBondContact O-N 3.38Å; S406-K408 VanDerWaalsContact C-N 3.28Å; S406-K408 PolarHBondContact O-N 2.8Å; K408-I410 VanDerWaalsContact C-N 3.34Å
409	R	88.5	Confident	92.3	Very high	84 Å²	84	60.2 Å²	60.2	32%	0.317	31%	0.307	S	S	.	.	S	Bend	trans	-73.7	-29.8	170.9	-73.4	-177.6	-69.3	149.4	-5.6	111.5	G342 D343 E403 A404 S407	G342-R409 PolarHBondContact O-NH1 2.89Å; G342-R409 VanDerWaalsContact O-NH1 3.16Å; D343-R409 WeakPolarHBondContact OD1-CD 3.13Å; D343-R409 IonicContact OD1-CZ 3.9Å; D343-R409 IonicContact OD1-NE 2.75Å; D343-R409 IonicContact OD1-NH1 2.82Å; D343-R409 PolarHBondContact OD1-NH1 3.2Å; E403-R409 IonicContact OE1-NH2 3.58Å; E403-R409 PolarHBondContact OE1-NH2 2.98Å; A404-R409 HydrophobicContact CB-CB 4.06Å; A404-R409 WeakPolarHBondContact O-CA 3.5Å; A404-R409 PolarHBondContact O-N 2.81Å; S407-R409 PolarHBondContact O-N 3.02Å; S407-R409 VanDerWaalsContact O-N 3.07Å; S407-R409 WeakPolarHBondContact OG-CG 2.9Å; S407-R409 PolarHBondContact OG-NE 2.72Å
410	I	90	Very high	92.2	Very high	8 Å²	8	65 Å²	65	4%	0.041	32%	0.316	C	S	.	.	S	Bend	trans	-109.2	131.4	167.6	-60.7	176.9	0	0	0	108.2	T336 R401 A404 L405 K408 E415	T336-I410 HydrophobicContact CG2-CD1 4.08Å; T336-I410 HydrophobicContact CG2-CG1 3.97Å; R401-I410 HydrophobicContact CB-CD1 4.44Å; R401-I410 HydrophobicContact CG-CD1 4.38Å; A404-I410 HydrophobicContact CB-CD1 3.7Å; A404-I410 HydrophobicContact CB-CG1 3.76Å; A404-I410 PolarHBondContact O-N 3.32Å; L405-I410 HydrophobicContact CD2-CB 3.9Å; L405-I410 HydrophobicContact CD2-CG2 3.6Å; L405-I410 HydrophobicContact CG-CB 4.12Å; L405-I410 HydrophobicContact CG-CG2 4.16Å; K408-I410 VanDerWaalsContact C-N 3.34Å; I410-E415 HydrophobicContact CG2-CG 4.31Å
411	V	90.2	Very high	92.1	Very high	56 Å²	56	66.5 Å²	66.5	34%	0.339	32%	0.323	S	S	.	.			trans	-105.1	108.5	174.2	-179.7	0	0	0	0	107.8	E413 R414	V411-E413 WeakPolarHBondContact CG1-OE2 3.14Å; V411-E413 PolarHBondContact O-N 2.91Å; V411-E413 VanDerWaalsContact O-N 3.16Å; V411-R414 HydrophobicContact CB-CG 4.05Å; V411-R414 HydrophobicContact CG1-CG 3.95Å; V411-R414 WeakPolarHBondContact O-CB 3.45Å; V411-R414 PolarHBondContact O-N 3.06Å
412	R	89.3	Confident	92	Very high	70 Å²	70	66.4 Å²	66.4	26%	0.264	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.3	-35.4	-171.4	175	60.4	-167.8	97.8	5.6	112.8	L405 R414 E415 F417	L405-R412 HydrophobicContact CD2-CB 4.07Å; R412-R414 PolarHBondContact O-N 2.91Å; R412-E415 PolarHBondContact NH1-O 3.35Å; R412-E415 PolarHBondContact O-N 3.25Å; R412-F417 PolarHBondContact NH1-O 3.15Å
413	E	89	Confident	91.8	Very high	161 Å²	161	64.4 Å²	64.4	75%	0.752	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.6	-177.8	-58.5	70.8	-151.9	0	0	112.8	V411	V411-E413 WeakPolarHBondContact CG1-OE2 3.14Å; V411-E413 PolarHBondContact O-N 2.91Å; V411-E413 VanDerWaalsContact O-N 3.16Å
414	R	89.5	Confident	91.5	Very high	170 Å²	170	61.1 Å²	61.1	64%	0.642	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-88.3	-13.1	175.5	-61.7	-176.6	-179.2	-174.1	-4.3	112.8	T334 V411 R412	T334-R414 VanDerWaalsContact CB-O 3.27Å; T334-R414 WeakPolarHBondContact CB-O 3.29Å; T334-R414 PolarHBondContact OG1-O 2.88Å; V411-R414 HydrophobicContact CB-CG 4.05Å; V411-R414 HydrophobicContact CG1-CG 3.95Å; V411-R414 WeakPolarHBondContact O-CB 3.45Å; V411-R414 PolarHBondContact O-N 3.06Å; R412-R414 PolarHBondContact O-N 2.91Å
415	E	91.5	Very high	91.1	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.056	31%	0.306	C	S	.	.	S	Bend	trans	-91	137.4	179.8	-68	-169.6	139.9	0	0	111.4	L335 T336 R401 I410 R412 F417	L335-E415 HydrophobicContact CD2-CB 4.06Å; L335-E415 HydrophobicContact CD2-CG 4.13Å; T336-E415 PolarHBondContact N-OE1 2.54Å; R401-E415 IonicContact CZ-OE1 3.79Å; R401-E415 IonicContact CZ-OE2 2.69Å; R401-E415 IonicContact NH2-OE1 2.73Å; R401-E415 PolarHBondContact NH2-OE1 2.8Å; R401-E415 IonicContact NH2-OE2 3.55Å; R401-E415 PolarHBondContact NH2-OE2 3.46Å; I410-E415 HydrophobicContact CG2-CG 4.31Å; R412-E415 PolarHBondContact NH1-O 3.35Å; R412-E415 PolarHBondContact O-N 3.25Å; E415-F417 PolarHBondContact O-N 2.8Å
416	P	90.1	Very high	90.7	Very high	64 Å²	64	64 Å²	64	42%	0.416	31%	0.307	S	S	.	.	S	Bend	trans	-64.9	-27.8	-173.7	27.6	-37.2	0	0	0	113	T334 L335 P366	T334-P416 VanDerWaalsContact OG1-CD 3.24Å; T334-P416 WeakPolarHBondContact OG1-CD 3.26Å; L335-P416 HydrophobicContact CD2-CG 4.32Å; L335-P416 HydrophobicContact CG-CG 4.22Å; P366-P416 WeakPolarHBondContact CG-O 3.47Å
417	F	93.9	Very high	90.4	Very high	16 Å²	16	59.8 Å²	59.8	7%	0.07	28%	0.277	C	S	.	.	S	Bend	trans	-158.8	160.4	-178.9	48.4	-100.6	0	0	0	110.2	M312 L322 A332 L335 L355 P366 Y368 R412 E415 I419	M312-F417 HydrophobicContact CE-CE2 3.92Å; M312-F417 HydrophobicContact CE-CZ 4.14Å; L322-F417 HydrophobicContact CD1-CE1 4.03Å; L322-F417 HydrophobicContact CD1-CZ 3.82Å; L322-F417 HydrophobicContact CD2-CZ 4.31Å; A332-F417 HydrophobicContact CB-CZ 4.47Å; L335-F417 HydrophobicContact CD1-CE2 3.7Å; L335-F417 HydrophobicContact CD1-CZ 3.61Å; L335-F417 HydrophobicContact CD2-CE2 4.35Å; L355-F417 HydrophobicContact CD1-CB 4.23Å; L355-F417 HydrophobicContact CD1-CD1 4.13Å; L355-F417 HydrophobicContact CD1-CD2 4.08Å; L355-F417 HydrophobicContact CD1-CE2 4.46Å; L355-F417 HydrophobicContact CD1-CG 3.9Å; P366-F417 HydrophobicContact CB-CB 3.74Å; P366-F417 HydrophobicContact CG-CB 3.82Å; P366-F417 WeakPolarHBondContact O-CA 3.17Å; P366-F417 VanDerWaalsContact O-CB 3.29Å; P366-F417 WeakPolarHBondContact O-CB 3.34Å; Y368-F417 HydrophobicContact CG-CE2 4.38Å; R412-F417 PolarHBondContact NH1-O 3.15Å; E415-F417 PolarHBondContact O-N 2.8Å; F417-I419 HydrophobicContact CD2-CD1 3.68Å; F417-I419 HydrophobicContact CE2-CD1 3.43Å; F417-I419 VanDerWaalsContact CE2-CD1 3.43Å
418	G	93.7	Very high	89.6	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.6	179.2	0	0	0	0	0	110.6	P366 R367 Y368	P366-G418 PolarHBondContact O-N 3.14Å; R367-G418 CarbonylContact C-O 3.41Å; R367-G418 VanDerWaalsContact CA-O 3.27Å; R367-G418 WeakPolarHBondContact CA-O 3.02Å; R367-G418 WeakPolarHBondContact CG-O 3.22Å; Y368-G418 PolarHBondContact N-O 3.26Å
419	I	95.6	Very high	88.7	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.3	170.4	-43	-63.8	0	0	0	108.5	M312 L335 F337 Y368 I370 I398 R401 F417	M312-I419 HydrophobicContact CE-CD1 3.97Å; L335-I419 HydrophobicContact CD1-CD1 4.17Å; L335-I419 HydrophobicContact CD2-CD1 4.06Å; L335-I419 HydrophobicContact CD2-CG1 4.26Å; F337-I419 HydrophobicContact CZ-CD1 4.33Å; F337-I419 HydrophobicContact CZ-CG1 4.1Å; Y368-I419 HydrophobicContact CD1-CD1 4.19Å; Y368-I419 HydrophobicContact CD1-CG2 4.43Å; Y368-I419 HydrophobicContact CG-CD1 4.48Å; Y368-I419 WeakPolarHBondContact O-CA 3.34Å; I370-I419 HydrophobicContact CD1-CG2 3.51Å; I370-I419 HydrophobicContact CG1-CG2 4.01Å; I398-I419 HydrophobicContact CD1-CG2 3.99Å; R401-I419 VanDerWaalsContact CZ-CG1 3.48Å; R401-I419 VanDerWaalsContact NH1-CB 3.34Å; F417-I419 HydrophobicContact CD2-CD1 3.68Å; F417-I419 HydrophobicContact CE2-CD1 3.43Å; F417-I419 VanDerWaalsContact CE2-CD1 3.43Å
420	R	94.2	Very high	87.7	Confident	131 Å²	131	48 Å²	48	49%	0.494	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.7	170.6	-69.8	-169.3	-177.8	156.1	-3.1	110	R367 Y368 L369 I370	R367-R420 HydrophobicContact CG-CG 4.46Å; R367-R420 VanDerWaalsContact NH1-CZ 3.3Å; R367-R420 VanDerWaalsContact NH1-NE 3.1Å; Y368-R420 PolarHBondContact O-N 2.92Å; L369-R420 CarbonylContact C-O 3.59Å; L369-R420 WeakPolarHBondContact CA-O 3.3Å; L369-R420 HydrophobicContact CD2-CB 4.05Å; I370-R420 PolarHBondContact N-O 3.42Å
421	Q	94.6	Very high	86.3	Confident	36 Å²	36	51.5 Å²	51.5	17%	0.168	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.5	164.9	175.8	170.8	17.7	0	0	109.4	I370 H390 I393 R394 I398	I370-Q421 CarbonylContact O-C 3.47Å; I370-Q421 WeakPolarHBondContact O-CA 3.13Å; H390-Q421 PolarHBondContact CD2-NE2 3.05Å; H390-Q421 VanDerWaalsContact CD2-NE2 3.27Å; H390-Q421 PolarHBondContact CE1-NE2 3.34Å; H390-Q421 VanDerWaalsContact CG-NE2 3.33Å; H390-Q421 PolarHBondContact ND1-NE2 2.61Å; H390-Q421 VanDerWaalsContact ND1-NE2 3.16Å; H390-Q421 PolarHBondContact NE2-NE2 3.39Å; H390-Q421 PolarHBondContact O-NE2 3Å; I393-Q421 HydrophobicContact CG2-CB 3.98Å; I393-Q421 HydrophobicContact CG2-CG 3.86Å; R394-Q421 VanDerWaalsContact CA-OE1 3.24Å; I398-Q421 HydrophobicContact CG1-CB 3.93Å
422	K	92.1	Very high	84.4	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.022	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.2	123.2	169.3	-164.2	168.7	-173.9	174.9	0	108.2	S302 W303 E354 L369 I370 Y371 H390 F424	S302-K422 WeakPolarHBondContact OG-CE 3.45Å; W303-K422 WeakPolarHBondContact O-CE 3.46Å; W303-K422 PolarHBondContact O-NZ 3.43Å; E354-K422 IonicContact OE2-NZ 2.74Å; L369-K422 HydrophobicContact CB-CB 4.27Å; I370-K422 PolarHBondContact O-N 2.83Å; Y371-K422 HydrophobicContact CD1-CD 4.15Å; Y371-K422 HydrophobicContact CG-CD 4.49Å; H390-K422 PolarHBondContact NE2-O 2.97Å; K422-F424 HydrophobicContact CB-CE2 4.36Å; K422-F424 HydrophobicContact CG-CE2 4.46Å; K422-F424 WeakPolarHBondContact O-CD2 3.48Å
423	P	89.4	Confident	82.1	Confident	41 Å²	41	54.8 Å²	54.8	27%	0.266	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-73.5	141.6	-179.9	31.8	-34.7	0	0	0	109.9	S302 W303 F425	S302-P423 WeakPolarHBondContact CB-O 3.42Å; S302-P423 PolarHBondContact OG-O 2.72Å; S302-P423 VanDerWaalsContact OG-O 3.09Å; W303-P423 HydrophobicContact CH2-CB 4.38Å; W303-P423 HydrophobicContact CH2-CG 3.06Å; W303-P423 HydrophobicContact CZ2-CG 3.5Å; W303-P423 VanDerWaalsContact CZ2-CG 3.5Å; W303-P423 HydrophobicContact CZ3-CG 3.71Å; P423-F425 HydrophobicContact CB-CE1 4.49Å; P423-F425 HydrophobicContact CB-CE2 3.89Å; P423-F425 HydrophobicContact CB-CZ 3.68Å; P423-F425 HydrophobicContact CG-CE2 4.03Å; P423-F425 HydrophobicContact CG-CZ 4.01Å
424	F	89.1	Confident	79.4	Confident	20 Å²	20	50 Å²	50	9%	0.088	26%	0.257	C	S	.	.			trans	-122.3	144.4	172.1	-81.9	-99.4	0	0	0	108.1	M300 V301 F386 H390 K422 Q465	M300-F424 HydrophobicContact CB-CB 4.16Å; M300-F424 HydrophobicContact CB-CD1 4.08Å; M300-F424 HydrophobicContact CE-CB 3.68Å; M300-F424 WeakPolarHBondContact CE-O 3.39Å; M300-F424 HydrophobicContact SD-CB 4.25Å; V301-F424 WeakPolarHBondContact O-CA 3.33Å; F386-F424 HydrophobicContact CE1-CB 4.38Å; F386-F424 AromaticContact CE1-CD1 3.98Å; F386-F424 HydrophobicContact CE1-CD1 3.98Å; F386-F424 HydrophobicContact CE1-CD2 4.38Å; F386-F424 HydrophobicContact CE1-CE1 4.34Å; F386-F424 AromaticContact CE1-CG 4Å; F386-F424 HydrophobicContact CE1-CG 4Å; F386-F424 AromaticContact CZ-CD1 3.94Å; F386-F424 HydrophobicContact CZ-CD1 3.94Å; F386-F424 AromaticContact CZ-CD2 3.82Å; F386-F424 HydrophobicContact CZ-CD2 3.82Å; F386-F424 AromaticContact CZ-CE1 3.94Å; F386-F424 HydrophobicContact CZ-CE1 3.94Å; F386-F424 AromaticContact CZ-CE2 3.82Å; F386-F424 HydrophobicContact CZ-CE2 3.82Å; F386-F424 AromaticContact CZ-CG 3.87Å; F386-F424 HydrophobicContact CZ-CG 3.87Å; F386-F424 AromaticContact CZ-CZ 3.87Å; F386-F424 HydrophobicContact CZ-CZ 3.87Å; H390-F424 AromaticContact CD2-CD2 3.92Å; H390-F424 AromaticContact NE2-CD2 3.69Å; K422-F424 HydrophobicContact CB-CE2 4.36Å; K422-F424 HydrophobicContact CG-CE2 4.46Å; K422-F424 WeakPolarHBondContact O-CD2 3.48Å; F424-Q465 HydrophobicContact CD1-CB 4.21Å; F424-Q465 HydrophobicContact CE1-CB 3.66Å; F424-Q465 HydrophobicContact CE1-CG 4.42Å; F424-Q465 HydrophobicContact CZ-CB 4.48Å
425	F	85.8	Confident	76.6	Confident	54 Å²	54	47.4 Å²	47.4	24%	0.237	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.8	-176.7	-51.3	-87.2	0	0	0	109.7	M300 V301 W303 P423 C429 V450 M453	M300-F425 CarbonylContact C-O 3.47Å; M300-F425 VanDerWaalsContact CA-O 3.23Å; M300-F425 WeakPolarHBondContact CA-O 3.46Å; M300-F425 WeakPolarHBondContact CB-O 3.4Å; V301-F425 HydrophobicContact CG1-CB 4.33Å; V301-F425 PolarHBondContact N-O 2.93Å; V301-F425 PolarHBondContact O-N 3.42Å; W303-F425 HydrophobicContact CE3-CE2 4.21Å; W303-F425 HydrophobicContact CH2-CE2 4.29Å; W303-F425 HydrophobicContact CH2-CZ 4.49Å; W303-F425 AromaticContact CZ3-CE2 3.5Å; W303-F425 HydrophobicContact CZ3-CE2 3.5Å; W303-F425 HydrophobicContact CZ3-CZ 4Å; P423-F425 HydrophobicContact CB-CE1 4.49Å; P423-F425 HydrophobicContact CB-CE2 3.89Å; P423-F425 HydrophobicContact CB-CZ 3.68Å; P423-F425 HydrophobicContact CG-CE2 4.03Å; P423-F425 HydrophobicContact CG-CZ 4.01Å; F425-C429 HydrophobicContact CB-CB 3.87Å; F425-V450 HydrophobicContact CB-CG2 4.41Å; F425-V450 HydrophobicContact CD2-CG1 4.25Å; F425-V450 HydrophobicContact CD2-CG2 3.89Å; F425-V450 HydrophobicContact CG-CG2 4.24Å; F425-M453 HydrophobicContact CE2-SD 4.22Å; F425-M453 HydrophobicContact CZ-SD 3.65Å
426	E	84.1	Confident	73.8	Confident	69 Å²	69	54.5 Å²	54.5	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	150.3	168.2	-66.1	179.6	168.1	0	0	110.5	S428 C429	E426-S428 PolarHBondContact O-N 3.4Å; E426-S428 VanDerWaalsContact O-N 3.13Å; E426-C429 WeakPolarHBondContact O-CB 3.48Å; E426-C429 PolarHBondContact O-N 3.45Å
427	L	85	Confident	71.1	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.6	-31.2	178.3	-74.5	-178.2	0	0	0	113	L294 Y299 V301 C429 I430 L464 V585	L294-L427 HydrophobicContact CB-CD1 4.41Å; L294-L427 HydrophobicContact CD2-CD1 4.37Å; Y299-L427 WeakPolarHBondContact O-CG 3.22Å; V301-L427 HydrophobicContact CB-CD2 4.16Å; L427-C429 PolarHBondContact O-N 2.89Å; L427-C429 VanDerWaalsContact O-N 3.09Å; L427-I430 HydrophobicContact CD2-CD1 3.84Å; L427-I430 WeakPolarHBondContact O-CB 3.34Å; L427-I430 VanDerWaalsContact O-CG1 3.31Å; L427-I430 WeakPolarHBondContact O-CG1 3.33Å; L427-I430 PolarHBondContact O-N 3.32Å; L427-L464 HydrophobicContact CD2-CD2 3.58Å; L427-V585 HydrophobicContact CB-CG1 3.89Å; L427-V585 WeakPolarHBondContact O-CG1 3.25Å
428	S	75.7	Confident	68.2	Low	44 Å²	44	67 Å²	67	31%	0.308	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.3	-24.5	175.4	60.2	0	0	0	0	113	E426 I430 E431	E426-S428 PolarHBondContact O-N 3.4Å; E426-S428 VanDerWaalsContact O-N 3.13Å; S428-I430 PolarHBondContact O-N 3.43Å; S428-E431 WeakPolarHBondContact O-CB 3.47Å; S428-E431 VanDerWaalsContact O-CG 3.23Å; S428-E431 WeakPolarHBondContact O-CG 3.22Å; S428-E431 PolarHBondContact O-N 2.93Å
429	C	71.5	Confident	65.7	Low	26 Å²	26	71.6 Å²	71.6	18%	0.176	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-67.4	-17.9	174.8	-73.7	0	0	0	0	113.6	F425 E426 L427 E431 V450	F425-C429 HydrophobicContact CB-CB 3.87Å; E426-C429 WeakPolarHBondContact O-CB 3.48Å; E426-C429 PolarHBondContact O-N 3.45Å; L427-C429 PolarHBondContact O-N 2.89Å; L427-C429 VanDerWaalsContact O-N 3.09Å; C429-E431 PolarHBondContact O-N 3.02Å; C429-V450 HydrophobicContact CB-CG2 4.24Å
430	I	68.7	Low	63.1	Low	6 Å²	6	75.9 Å²	75.9	3%	0.031	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-63	-25.5	170.7	-61.7	174.1	0	0	0	110.3	V301 L427 S428 K432 F448 I582 V585	V301-I430 HydrophobicContact CB-CD1 4.25Å; V301-I430 HydrophobicContact CG1-CD1 4.11Å; V301-I430 HydrophobicContact CG1-CG1 3.95Å; V301-I430 HydrophobicContact CG2-CD1 4.17Å; L427-I430 HydrophobicContact CD2-CD1 3.84Å; L427-I430 WeakPolarHBondContact O-CB 3.34Å; L427-I430 VanDerWaalsContact O-CG1 3.31Å; L427-I430 WeakPolarHBondContact O-CG1 3.33Å; L427-I430 PolarHBondContact O-N 3.32Å; S428-I430 PolarHBondContact O-N 3.43Å; I430-K432 VanDerWaalsContact C-N 3.31Å; I430-K432 PolarHBondContact O-N 3.48Å; I430-F448 HydrophobicContact CG2-CE1 4.4Å; I430-I582 HydrophobicContact CG2-CG1 3.8Å; I430-V585 HydrophobicContact CB-CG1 4.31Å; I430-V585 HydrophobicContact CD1-CG1 4.31Å; I430-V585 HydrophobicContact CD1-CG2 3.99Å
431	E	59.9	Low	60.6	Low	82 Å²	82	75.8 Å²	75.8	38%	0.383	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.1	-13.8	-175	-57.2	171.8	175.7	0	0	114.4	S428 C429 V433 K591	S428-E431 WeakPolarHBondContact O-CB 3.47Å; S428-E431 VanDerWaalsContact O-CG 3.23Å; S428-E431 WeakPolarHBondContact O-CG 3.22Å; S428-E431 PolarHBondContact O-N 2.93Å; C429-E431 PolarHBondContact O-N 3.02Å; E431-V433 PolarHBondContact O-N 3.34Å; E431-K591 IonicContact OE1-NZ 3.94Å; E431-K591 PolarHBondContact OE1-NZ 3.39Å
432	K	50	Low	57.8	Low	119 Å²	119	83.2 Å²	83.2	52%	0.517	44%	0.444	S	S	.	.			trans	-81.3	53.1	-169	-70.4	-178.3	-178.6	168.2	0	114.5	I430 K449	I430-K432 VanDerWaalsContact C-N 3.31Å; I430-K432 PolarHBondContact O-N 3.48Å; K432-K449 HydrophobicContact CB-CB 4.04Å; K432-K449 HydrophobicContact CB-CD 4.07Å; K432-K449 HydrophobicContact CD-CD 3.56Å; K432-K449 HydrophobicContact CG-CD 4.44Å
433	V	41.8	Very low	54.8	Low	75 Å²	75	91 Å²	91	46%	0.455	49%	0.485	S	S	.	.			trans	-99.5	93.5	158.2	-176.1	0	0	0	0	106.6	E431	E431-V433 PolarHBondContact O-N 3.34Å
434	G	32.5	Very low	52	Low	62 Å²	62	96.7 Å²	96.7	64%	0.639	51%	0.506	S	S	*	.			trans	-78.5	123.7	-169.4	0	0	0	0	0	113.3
435	S	30.5	Very low	49.2	Very low	115 Å²	115	101.4 Å²	101.4	80%	0.804	53%	0.531	S	S	*	.	S	Bend	trans	-87.9	10.8	169.5	41.9	0	0	0	0	114.6
436	N	30.9	Very low	46.4	Very low	160 Å²	160	106.9 Å²	106.9	86%	0.856	56%	0.556	S	S	*	*			trans	-139.3	37.4	-176.8	-90.4	-21	0	0	0	115.2
437	W	33.5	Very low	44	Very low	182 Å²	182	108.5 Å²	108.5	69%	0.689	56%	0.563	S	S	*	*			trans	-92.4	133.8	171.7	-131.3	-80.8	0	0	0	112.7	E441	W437-E441 PolarHBondContact NE1-OE2 2.83Å
438	K	34.3	Very low	42.1	Very low	162 Å²	162	109.1 Å²	109.1	70%	0.704	57%	0.566	S	S	*	*			trans	-56.8	143	-177.3	-71.4	180	178.2	177.8	0	111.2	A440 E441	K438-A440 PolarHBondContact O-N 2.98Å; K438-E441 PolarHBondContact O-N 2.81Å
439	P	40.1	Very low	40.7	Very low	99 Å²	99	112.9 Å²	112.9	64%	0.643	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-59	-16	-173.7	-25.9	34.2	0	0	0	117.3
440	A	41.3	Very low	39.7	Very low	102 Å²	102	111.8 Å²	111.8	84%	0.843	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-85.3	-11.3	-176.9	0	0	0	0	0	114.7	K438	K438-A440 PolarHBondContact O-N 2.98Å
441	E	42.4	Very low	38.7	Very low	129 Å²	129	113.4 Å²	113.4	60%	0.603	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-98.8	15.2	178.2	-65.7	178.4	-138.2	0	0	112.3	W437 K438 L443	W437-E441 PolarHBondContact NE1-OE2 2.83Å; K438-E441 PolarHBondContact O-N 2.81Å; E441-L443 VanDerWaalsContact C-N 3.29Å; E441-L443 PolarHBondContact O-N 3.38Å
442	R	34.9	Very low	38	Very low	192 Å²	192	111.6 Å²	111.6	73%	0.725	57%	0.574	S	S	*	*			trans	-74.9	0.9	-174	-88.4	-177.2	-163.7	-165.9	6.2	116.5
443	L	29.9	Very low	38.2	Very low	167 Å²	167	109.9 Å²	109.9	87%	0.874	57%	0.569	S	S	*	*			trans	-101.6	70.5	175.2	-97.2	85	0	0	0	110.4	E441	E441-L443 VanDerWaalsContact C-N 3.29Å; E441-L443 PolarHBondContact O-N 3.38Å
444	F	30.5	Very low	38.7	Very low	161 Å²	161	112.8 Å²	112.8	71%	0.706	58%	0.582	S	S	*	*	S	Bend	trans	-176.2	105.3	149.3	-122.3	-103	0	0	0	110.2
445	L	29.1	Very low	40.1	Very low	119 Å²	119	111.4 Å²	111.4	62%	0.623	56%	0.561	S	S	*	*			trans	32.4	109.4	150.7	-67.3	160.2	0	0	0	120.9
446	F	29	Very low	42	Very low	170 Å²	170	108 Å²	108	75%	0.746	54%	0.537	S	S	*	.				58.8	148.2	124.4	-88.4	-95.1	0	0	0	122.7	S452	F446-S452 WeakPolarHBondContact O-CB 3.41Å; F446-S452 PolarHBondContact O-OG 3.1Å
447	E	32.7	Very low	44	Very low	102 Å²	102	101.3 Å²	101.3	48%	0.477	50%	0.501	S	S	.	.	S	Bend	trans	-53.7	152.7	-172.5	-55.4	170.3	122.1	0	0	116.2	S452 K578	E447-S452 VanDerWaalsContact O-CB 3.23Å; E447-S452 WeakPolarHBondContact O-CB 3.32Å; E447-S452 PolarHBondContact O-OG 2.84Å; E447-K578 VanDerWaalsContact CB-NZ 3.31Å; E447-K578 IonicContact OE1-NZ 2.64Å; E447-K578 IonicContact OE2-NZ 2.69Å; E447-K578 PolarHBondContact OE2-NZ 3.3Å
448	F	46.1	Very low	46	Very low	18 Å²	18	99.5 Å²	99.5	8%	0.079	50%	0.5	C	S	.	.			trans	71	103.7	-179.1	-71.8	-80.6	0	0	0	116.5	I430 V450 L451 S452 K578 I582	I430-F448 HydrophobicContact CG2-CE1 4.4Å; F448-V450 PolarHBondContact O-N 2.75Å; F448-L451 HydrophobicContact CB-CB 3.5Å; F448-L451 HydrophobicContact CB-CD1 4.2Å; F448-L451 HydrophobicContact CB-CG 4.01Å; F448-L451 HydrophobicContact CD1-CD1 3.82Å; F448-L451 HydrophobicContact CD1-CG 4.28Å; F448-L451 HydrophobicContact CD2-CB 3.84Å; F448-L451 HydrophobicContact CD2-CD1 3.28Å; F448-L451 HydrophobicContact CD2-CG 4Å; F448-L451 HydrophobicContact CE1-CD1 3.79Å; F448-L451 HydrophobicContact CE2-CD1 3.17Å; F448-L451 HydrophobicContact CE2-CG 4.34Å; F448-L451 HydrophobicContact CG-CB 3.84Å; F448-L451 HydrophobicContact CG-CD1 3.57Å; F448-L451 HydrophobicContact CG-CG 3.93Å; F448-L451 HydrophobicContact CZ-CD1 3.45Å; F448-L451 VanDerWaalsContact CZ-CD1 3.45Å; F448-L451 CarbonylContact O-C 3.56Å; F448-L451 PolarHBondContact O-N 3.25Å; F448-S452 VanDerWaalsContact C-OG 3.24Å; F448-S452 WeakPolarHBondContact O-CA 3.3Å; F448-S452 WeakPolarHBondContact O-CB 3.24Å; F448-S452 PolarHBondContact O-N 2.9Å; F448-S452 PolarHBondContact O-OG 3.4Å; F448-K578 HydrophobicContact CD2-CD 4.26Å; F448-K578 HydrophobicContact CE2-CD 3.3Å; F448-K578 HydrophobicContact CE2-CG 3.76Å; F448-K578 VanDerWaalsContact CE2-NZ 3.28Å; F448-K578 HydrophobicContact CZ-CB 4.43Å; F448-K578 HydrophobicContact CZ-CD 3.65Å; F448-K578 HydrophobicContact CZ-CG 3.51Å; F448-I582 HydrophobicContact CE1-CD1 4.12Å; F448-I582 HydrophobicContact CE1-CG1 4.28Å; F448-I582 HydrophobicContact CZ-CD1 4.3Å
449	K	45.5	Very low	48.1	Very low	122 Å²	122	93.9 Å²	93.9	53%	0.53	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.7	172.1	-144.5	172.6	-171.3	173.3	0	115.8	K432 M453	K432-K449 HydrophobicContact CB-CB 4.04Å; K432-K449 HydrophobicContact CB-CD 4.07Å; K432-K449 HydrophobicContact CD-CD 3.56Å; K432-K449 HydrophobicContact CG-CD 4.44Å; K449-M453 VanDerWaalsContact O-CG 3.31Å; K449-M453 WeakPolarHBondContact O-CG 3.48Å
450	V	51.2	Low	50	Low	4 Å²	4	90.2 Å²	90.2	2%	0.024	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-25.4	171.9	-179.2	0	0	0	0	112.8	V301 W303 F425 C429 F448	V301-V450 HydrophobicContact CG1-CG2 4.33Å; W303-V450 HydrophobicContact CE3-CG1 3.91Å; F425-V450 HydrophobicContact CB-CG2 4.41Å; F425-V450 HydrophobicContact CD2-CG1 4.25Å; F425-V450 HydrophobicContact CD2-CG2 3.89Å; F425-V450 HydrophobicContact CG-CG2 4.24Å; C429-V450 HydrophobicContact CB-CG2 4.24Å; F448-V450 PolarHBondContact O-N 2.75Å
451	L	47.2	Very low	52.1	Low	40 Å²	40	85.6 Å²	85.6	21%	0.209	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-8	177.4	-57.2	166.6	0	0	0	113.7	W303 F448 G461 V462	W303-L451 HydrophobicContact CB-CD2 4.15Å; F448-L451 HydrophobicContact CB-CB 3.5Å; F448-L451 HydrophobicContact CB-CD1 4.2Å; F448-L451 HydrophobicContact CB-CG 4.01Å; F448-L451 HydrophobicContact CD1-CD1 3.82Å; F448-L451 HydrophobicContact CD1-CG 4.28Å; F448-L451 HydrophobicContact CD2-CB 3.84Å; F448-L451 HydrophobicContact CD2-CD1 3.28Å; F448-L451 HydrophobicContact CD2-CG 4Å; F448-L451 HydrophobicContact CE1-CD1 3.79Å; F448-L451 HydrophobicContact CE2-CD1 3.17Å; F448-L451 HydrophobicContact CE2-CG 4.34Å; F448-L451 HydrophobicContact CG-CB 3.84Å; F448-L451 HydrophobicContact CG-CD1 3.57Å; F448-L451 HydrophobicContact CG-CG 3.93Å; F448-L451 HydrophobicContact CZ-CD1 3.45Å; F448-L451 VanDerWaalsContact CZ-CD1 3.45Å; F448-L451 CarbonylContact O-C 3.56Å; F448-L451 PolarHBondContact O-N 3.25Å; L451-G461 WeakPolarHBondContact CD2-O 3.47Å; L451-V462 HydrophobicContact CD1-CG1 4.03Å; L451-V462 HydrophobicContact CD2-CG1 3.85Å; L451-V462 HydrophobicContact CG-CG1 4.13Å
452	S	45.5	Very low	54.4	Low	44 Å²	44	79.7 Å²	79.7	31%	0.308	39%	0.389	S	S	.	.	S	Bend	trans	-118.7	18.9	174.7	68.6	0	0	0	0	113.1	F446 E447 F448 D454	F446-S452 WeakPolarHBondContact O-CB 3.41Å; F446-S452 PolarHBondContact O-OG 3.1Å; E447-S452 VanDerWaalsContact O-CB 3.23Å; E447-S452 WeakPolarHBondContact O-CB 3.32Å; E447-S452 PolarHBondContact O-OG 2.84Å; F448-S452 VanDerWaalsContact C-OG 3.24Å; F448-S452 WeakPolarHBondContact O-CA 3.3Å; F448-S452 WeakPolarHBondContact O-CB 3.24Å; F448-S452 PolarHBondContact O-N 2.9Å; F448-S452 PolarHBondContact O-OG 3.4Å; S452-D454 PolarHBondContact O-N 2.88Å
453	M	52.5	Low	57.1	Low	83 Å²	83	71.6 Å²	71.6	41%	0.409	36%	0.361	S	S	.	.	S	Bend	trans	-56.7	141.9	153.4	-73.9	-171.4	59	0	0	107.1	W303 F425 K449 V455	W303-M453 HydrophobicContact CH2-CE 3.8Å; W303-M453 HydrophobicContact CH2-SD 3.48Å; W303-M453 WeakPolarHBondContact CH2-SD 3.41Å; W303-M453 HydrophobicContact CZ3-CB 4.46Å; W303-M453 HydrophobicContact CZ3-CE 4.29Å; W303-M453 HydrophobicContact CZ3-CG 4.27Å; W303-M453 HydrophobicContact CZ3-SD 3.33Å; W303-M453 WeakPolarHBondContact CZ3-SD 3.4Å; F425-M453 HydrophobicContact CE2-SD 4.22Å; F425-M453 HydrophobicContact CZ-SD 3.65Å; K449-M453 VanDerWaalsContact O-CG 3.31Å; K449-M453 WeakPolarHBondContact O-CG 3.48Å; M453-V455 HydrophobicContact CB-CG2 3.68Å; M453-V455 WeakPolarHBondContact O-CG2 3.28Å; M453-V455 PolarHBondContact O-N 2.67Å
454	D	53.3	Low	60.2	Low	136 Å²	136	63.7 Å²	63.7	73%	0.727	32%	0.319	S	S	*	.			trans	-64.8	71	167.5	-80.4	-34.2	0	0	0	108.4	S452 S456	S452-D454 PolarHBondContact O-N 2.88Å; D454-S456 PolarHBondContact O-N 2.71Å
455	V	61.5	Low	63.2	Low	32 Å²	32	56.7 Å²	56.7	19%	0.194	29%	0.289	C	S	.	.			trans	-81.1	113.5	175	-174.1	0	0	0	0	104.2	W303 M453 H457 T459	W303-V455 HydrophobicContact CD2-CG2 4.26Å; W303-V455 HydrophobicContact CH2-CG2 4.27Å; W303-V455 HydrophobicContact CZ2-CG2 3.96Å; M453-V455 HydrophobicContact CB-CG2 3.68Å; M453-V455 WeakPolarHBondContact O-CG2 3.28Å; M453-V455 PolarHBondContact O-N 2.67Å; V455-H457 WeakPolarHBondContact CG1-CD2 3.47Å; V455-H457 WeakPolarHBondContact CG1-CE1 3.36Å; V455-H457 WeakPolarHBondContact CG1-ND1 3.03Å; V455-H457 WeakPolarHBondContact CG1-NE2 3.01Å; V455-H457 PolarHBondContact O-N 3.18Å; V455-T459 HydrophobicContact CB-CG2 4.42Å; V455-T459 HydrophobicContact CG1-CG2 4.14Å
456	S	70.2	Confident	66.3	Low	43 Å²	43	53 Å²	53	30%	0.301	27%	0.267	S	S	.	.	S	Bend	trans	-68.6	6.1	179.9	42.3	0	0	0	0	113.6	D358 V359 D454	D358-S456 CarbonylContact C-O 3.33Å; D358-S456 VanDerWaalsContact CA-O 3.25Å; D358-S456 WeakPolarHBondContact CA-O 3.44Å; D358-S456 VanDerWaalsContact CB-OG 3.3Å; D358-S456 WeakPolarHBondContact CB-OG 3.19Å; D358-S456 PolarHBondContact OD1-OG 3.35Å; D358-S456 PolarHBondContact OD2-OG 3.21Å; V359-S456 PolarHBondContact N-O 3.27Å; D454-S456 PolarHBondContact O-N 2.71Å
457	H	73.4	Confident	69.3	Low	21 Å²	21	45.1 Å²	45.1	10%	0.097	23%	0.233	C	C	.	.	S	Bend	trans	-130.5	155.9	177.7	51.8	-93.4	0	0	0	110.3	W303 V356 F357 D358 V455	W303-H457 AromaticContact CD1-NE2 3.93Å; W303-H457 AromaticContact NE1-NE2 3.37Å; W303-H457 PolarHBondContact NE1-NE2 2.92Å; V356-H457 HydrophobicContact CB-CB 4.19Å; V356-H457 HydrophobicContact CG2-CB 4.39Å; F357-H457 WeakPolarHBondContact O-CB 3.31Å; D358-H457 IonicContact OD1-CE1 3.97Å; D358-H457 IonicContact OD1-CG 3.37Å; D358-H457 IonicContact OD1-ND1 3.79Å; D358-H457 PolarHBondContact OD1-ND1 3.05Å; V455-H457 WeakPolarHBondContact CG1-CD2 3.47Å; V455-H457 WeakPolarHBondContact CG1-CE1 3.36Å; V455-H457 WeakPolarHBondContact CG1-ND1 3.03Å; V455-H457 WeakPolarHBondContact CG1-NE2 3.01Å; V455-H457 PolarHBondContact O-N 3.18Å
458	E	74.7	Confident	72	Confident	144 Å²	144	41.9 Å²	41.9	67%	0.673	22%	0.218	S	C	*	.			trans	-65.6	142.2	-179	-169.1	169.5	-179.8	0	0	111.7	D306	D306-E458 HydrophobicContact CB-CB 4.29Å; D306-E458 PolarHBondContact N-O 3.14Å
459	T	79.4	Confident	74.1	Confident	43 Å²	43	41.7 Å²	41.7	26%	0.264	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.4	178.6	63.7	0	0	0	0	110.2	W303 K304 V455	W303-T459 HydrophobicContact CB-CG2 4Å; W303-T459 HydrophobicContact CG-CG2 4.06Å; K304-T459 CarbonylContact O-C 3.51Å; K304-T459 WeakPolarHBondContact O-CA 3.33Å; K304-T459 WeakPolarHBondContact O-CB 3.26Å; V455-T459 HydrophobicContact CB-CG2 4.42Å; V455-T459 HydrophobicContact CG1-CG2 4.14Å
460	D	78.7	Confident	76.3	Confident	22 Å²	22	37.9 Å²	37.9	12%	0.118	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	16.1	-171.5	69.5	-19.3	0	0	0	113.5	K304 K483 L487	K304-D460 WeakPolarHBondContact CB-OD1 3.31Å; K304-D460 WeakPolarHBondContact CD-OD1 3.24Å; K304-D460 WeakPolarHBondContact CE-OD1 3.28Å; K304-D460 VanDerWaalsContact CG-OD1 3.29Å; K304-D460 WeakPolarHBondContact CG-OD1 3.32Å; K304-D460 IonicContact NZ-OD1 3.65Å; K304-D460 PolarHBondContact NZ-OD1 2.97Å; K304-D460 IonicContact NZ-OD2 3.68Å; K304-D460 PolarHBondContact NZ-OD2 2.97Å; K304-D460 PolarHBondContact O-N 3.13Å; D460-K483 WeakPolarHBondContact O-CD 3.41Å; D460-K483 VanDerWaalsContact O-CG 3.26Å; D460-K483 WeakPolarHBondContact O-CG 3.39Å; D460-K483 WeakPolarHBondContact OD2-CE 3.1Å; D460-K483 IonicContact OD2-NZ 3.08Å; D460-K483 PolarHBondContact OD2-NZ 3.33Å; D460-L487 HydrophobicContact CB-CD1 4.32Å
461	G	86.8	Confident	78.4	Confident	5 Å²	5	38 Å²	38	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-159.3	179.3	0	0	0	0	0	114	K304 L451 W482	K304-G461 PolarHBondContact N-O 2.74Å; L451-G461 WeakPolarHBondContact CD2-O 3.47Å; G461-W482 CarbonylContact C-O 3.43Å; G461-W482 WeakPolarHBondContact CA-O 3.47Å
462	V	90.1	Very high	80.4	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.9	174.6	-59.3	0	0	0	0	111.6	V301 S302 L451 L464 K481 W482 L581	V301-V462 HydrophobicContact CG2-CB 3.96Å; V301-V462 HydrophobicContact CG2-CG1 4.26Å; V301-V462 HydrophobicContact CG2-CG2 4.5Å; S302-V462 CarbonylContact O-C 3.55Å; S302-V462 WeakPolarHBondContact O-CA 3.2Å; L451-V462 HydrophobicContact CD1-CG1 4.03Å; L451-V462 HydrophobicContact CD2-CG1 3.85Å; L451-V462 HydrophobicContact CG-CG1 4.13Å; V462-L464 HydrophobicContact CG2-CG 4.49Å; V462-K481 WeakPolarHBondContact O-CA 3.27Å; V462-W482 HydrophobicContact CG2-CB 3.75Å; V462-W482 HydrophobicContact CG2-CD2 4.46Å; V462-W482 HydrophobicContact CG2-CE3 3.98Å; V462-W482 HydrophobicContact CG2-CG 4.43Å; V462-W482 PolarHBondContact N-O 2.7Å; V462-W482 PolarHBondContact O-N 3.4Å; V462-L581 HydrophobicContact CG2-CD2 4.16Å
463	V	92.4	Very high	82.5	Confident	23 Å²	23	37.5 Å²	37.5	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	169.8	-178.2	0	0	0	0	107.9	V301 S302 K304 V479 L480	V301-V463 WeakPolarHBondContact CA-O 3.43Å; S302-V463 PolarHBondContact N-O 2.6Å; S302-V463 PolarHBondContact O-N 3.08Å; K304-V463 HydrophobicContact CB-CG2 3.86Å; K304-V463 HydrophobicContact CG-CG2 3.93Å; V463-V479 HydrophobicContact CG1-CG1 4.2Å; V463-L480 WeakPolarHBondContact CA-O 3.38Å
464	L	94	Very high	84.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.6	179.3	-56.3	159.7	0	0	0	107.2	L286 L294 Y299 M300 V301 L427 V462 L480	L286-L464 HydrophobicContact CD1-CD1 4.05Å; L286-L464 HydrophobicContact CD2-CD1 4.12Å; L294-L464 HydrophobicContact CD1-CD1 4.2Å; L294-L464 HydrophobicContact CD2-CB 4.48Å; L294-L464 HydrophobicContact CD2-CD1 4.19Å; Y299-L464 HydrophobicContact CD1-CB 3.77Å; Y299-L464 HydrophobicContact CE1-CB 4.19Å; M300-L464 CarbonylContact O-C 3.59Å; M300-L464 WeakPolarHBondContact O-CA 3.06Å; V301-L464 HydrophobicContact CB-CD2 3.97Å; V301-L464 HydrophobicContact CG2-CD2 3.84Å; L427-L464 HydrophobicContact CD2-CD2 3.58Å; V462-L464 HydrophobicContact CG2-CG 4.49Å; L464-L480 HydrophobicContact CB-CB 4.13Å; L464-L480 HydrophobicContact CD1-CB 4.21Å; L464-L480 PolarHBondContact N-O 2.81Å; L464-L480 PolarHBondContact O-N 2.97Å
465	Q	94.6	Very high	85.7	Confident	15 Å²	15	36 Å²	36	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.5	-178.1	179.9	57	58.5	0	0	109.5	Y299 M300 F386 F424 E469 V479	Y299-Q465 CarbonylContact C-O 3.57Å; Y299-Q465 WeakPolarHBondContact CA-O 3.34Å; M300-Q465 PolarHBondContact N-O 2.93Å; M300-Q465 PolarHBondContact O-N 2.99Å; F386-Q465 HydrophobicContact CB-CG 4.46Å; F386-Q465 HydrophobicContact CD1-CB 4.5Å; F386-Q465 HydrophobicContact CD1-CG 3.65Å; F386-Q465 HydrophobicContact CD2-CG 3.64Å; F386-Q465 HydrophobicContact CE1-CB 4.21Å; F386-Q465 HydrophobicContact CE1-CG 3.67Å; F386-Q465 HydrophobicContact CE2-CG 3.65Å; F386-Q465 HydrophobicContact CG-CG 3.64Å; F386-Q465 HydrophobicContact CZ-CB 4.32Å; F386-Q465 HydrophobicContact CZ-CG 3.67Å; F424-Q465 HydrophobicContact CD1-CB 4.21Å; F424-Q465 HydrophobicContact CE1-CB 3.66Å; F424-Q465 HydrophobicContact CE1-CG 4.42Å; F424-Q465 HydrophobicContact CZ-CB 4.48Å; Q465-E469 PolarHBondContact NE2-OE1 2.86Å; Q465-V479 VanDerWaalsContact OE1-CG2 3.3Å
466	R	94.1	Very high	87	Confident	42 Å²	42	34.5 Å²	34.5	16%	0.158	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.8	174	-177.6	173.3	172.9	-172.6	-3.3	109.6	H297 Y299 D468 E469	H297-R466 HydrophobicContact CB-CG 4.19Å; H297-R466 VanDerWaalsContact CD2-CZ 3.45Å; H297-R466 PolarHBondContact CE1-NH2 3.44Å; H297-R466 PolarHBondContact ND1-NH2 3.46Å; H297-R466 PolarHBondContact NE2-NH1 2.76Å; Y299-R466 HydrophobicContact CD1-CB 4.25Å; Y299-R466 HydrophobicContact CE1-CB 3.79Å; Y299-R466 HydrophobicContact CE2-CB 4.08Å; Y299-R466 HydrophobicContact CE2-CG 4.24Å; R466-D468 WeakPolarHBondContact CD-OD1 3.32Å; R466-D468 WeakPolarHBondContact CG-OD1 3.42Å; R466-D468 IonicContact CZ-OD1 2.59Å; R466-D468 IonicContact CZ-OD2 2.6Å; R466-D468 IonicContact NE-OD1 2.86Å; R466-D468 PolarHBondContact NE-OD1 2.87Å; R466-D468 IonicContact NE-OD2 3.15Å; R466-D468 PolarHBondContact NE-OD2 3.14Å; R466-D468 IonicContact NH2-OD1 2.77Å; R466-D468 IonicContact NH2-OD2 3.89Å; R466-D468 PolarHBondContact NH2-OD2 2.77Å; R466-E469 HydrophobicContact CB-CG 3.89Å; R466-E469 HydrophobicContact CG-CB 4.32Å; R466-E469 HydrophobicContact CG-CG 3.98Å
467	V	92	Very high	87.9	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.024	20%	0.196	C	C	.	.	S	Bend	trans	-87.3	-40.1	-171.2	-176.5	0	0	0	0	112.3	P298 M300 F386 H387 E469 L594	P298-V467 HydrophobicContact CB-CB 4.22Å; P298-V467 HydrophobicContact CB-CG2 4.42Å; P298-V467 HydrophobicContact CG-CB 4.18Å; P298-V467 WeakPolarHBondContact O-CG2 3.45Å; P298-V467 PolarHBondContact O-N 3.22Å; M300-V467 HydrophobicContact CB-CG2 4.23Å; M300-V467 HydrophobicContact CG-CG2 3.55Å; M300-V467 HydrophobicContact SD-CG2 4.08Å; F386-V467 PolarHBondContact N-O 2.59Å; H387-V467 HydrophobicContact CB-CG1 3.97Å; V467-E469 VanDerWaalsContact C-N 3.27Å; V467-E469 PolarHBondContact O-N 2.86Å; V467-L594 HydrophobicContact CG1-CD2 3.81Å
468	D	89.8	Confident	88.8	Confident	33 Å²	33	36.2 Å²	36.2	18%	0.176	20%	0.196	C	C	.	.	S	Bend	trans	-88.4	22	-171.3	65.6	-40.8	0	0	0	113.6	H297 P298 R466 F599	H297-D468 IonicContact ND1-OD2 2.8Å; P298-D468 WeakPolarHBondContact CD-OD1 3.47Å; P298-D468 HydrophobicContact CG-CB 3.82Å; R466-D468 WeakPolarHBondContact CD-OD1 3.32Å; R466-D468 WeakPolarHBondContact CG-OD1 3.42Å; R466-D468 IonicContact CZ-OD1 2.59Å; R466-D468 IonicContact CZ-OD2 2.6Å; R466-D468 IonicContact NE-OD1 2.86Å; R466-D468 PolarHBondContact NE-OD1 2.87Å; R466-D468 IonicContact NE-OD2 3.15Å; R466-D468 PolarHBondContact NE-OD2 3.14Å; R466-D468 IonicContact NH2-OD1 2.77Å; R466-D468 IonicContact NH2-OD2 3.89Å; R466-D468 PolarHBondContact NH2-OD2 2.77Å; D468-F599 HydrophobicContact CB-CD1 4.06Å; D468-F599 HydrophobicContact CB-CE1 3.54Å; D468-F599 HydrophobicContact CB-CZ 4.35Å
469	E	88.8	Confident	89.8	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.065	17%	0.167	C	C	.	.	S	Bend	trans	-123.4	149.4	179.1	71.5	174.8	-175.8	0	0	114	R389 Q465 R466 V467 T478	R389-E469 PolarHBondContact NH1-O 3.1Å; Q465-E469 PolarHBondContact NE2-OE1 2.86Å; R466-E469 HydrophobicContact CB-CG 3.89Å; R466-E469 HydrophobicContact CG-CB 4.32Å; R466-E469 HydrophobicContact CG-CG 3.98Å; V467-E469 VanDerWaalsContact C-N 3.27Å; V467-E469 PolarHBondContact O-N 2.86Å; E469-T478 PolarHBondContact OE1-OG1 3.37Å; E469-T478 WeakPolarHBondContact OE2-CB 3.28Å; E469-T478 WeakPolarHBondContact OE2-CG2 3.33Å; E469-T478 PolarHBondContact OE2-OG1 3.04Å
470	P	92.2	Very high	90.5	Very high	42 Å²	42	27.7 Å²	27.7	27%	0.273	15%	0.154	S	C	.	.			trans	-59.8	157.7	163.1	-24.6	36.2	0	0	0	112.9	R382 V472	R382-P470 CarbonylContact O-C 3.26Å; R382-P470 VanDerWaalsContact O-CA 3.32Å; R382-P470 WeakPolarHBondContact O-CA 3.48Å; R382-P470 WeakPolarHBondContact O-CB 3.49Å; P470-V472 PolarHBondContact O-N 2.89Å
471	Y	94.2	Very high	91.1	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.027	16%	0.161	C	C	.	.			trans	-69.4	128	170	179.6	-83.3	0	0	0	110.4	G280 S281 D352 D372 I374 R382	G280-Y471 VanDerWaalsContact CA-OH 3.26Å; G280-Y471 WeakPolarHBondContact CA-OH 3.07Å; S281-Y471 PolarHBondContact N-OH 3.44Å; D352-Y471 HydrophobicContact CB-CE2 4.43Å; D352-Y471 PolarHBondContact OD2-OH 3.2Å; D372-Y471 HydrophobicContact CB-CD2 4.16Å; D372-Y471 HydrophobicContact CB-CE2 4.14Å; D372-Y471 WeakPolarHBondContact OD2-CD2 3.5Å; I374-Y471 HydrophobicContact CD1-CE1 4.23Å; I374-Y471 HydrophobicContact CD1-CE2 4.11Å; I374-Y471 HydrophobicContact CG1-CD1 3.75Å; I374-Y471 HydrophobicContact CG1-CD2 4.3Å; I374-Y471 HydrophobicContact CG1-CE1 3.53Å; I374-Y471 HydrophobicContact CG1-CE2 4.09Å; I374-Y471 HydrophobicContact CG1-CG 4.13Å; R382-Y471 PolarHBondContact O-N 2.59Å
472	V	90.4	Very high	91.4	Very high	51 Å²	51	30.1 Å²	30.1	31%	0.309	16%	0.162	S	C	.	.			trans	-112.5	115.7	177.9	-179.1	0	0	0	0	109.6	S281 P470 C476	S281-V472 WeakPolarHBondContact CA-O 3.36Å; S281-V472 WeakPolarHBondContact CB-O 3.23Å; S281-V472 PolarHBondContact OG-O 2.82Å; P470-V472 PolarHBondContact O-N 2.89Å; V472-C476 HydrophobicContact CB-CB 4.48Å
473	G	88.8	Confident	91.2	Very high	23 Å²	23	32.4 Å²	32.4	24%	0.237	17%	0.171	C	C	.	.			trans	-69.8	153.7	173	0	0	0	0	0	112.7	P279	P279-G473 VanDerWaalsContact O-CA 3.24Å; P279-G473 WeakPolarHBondContact O-CA 3.29Å
474	G	86.5	Confident	90.8	Very high	24 Å²	24	33.2 Å²	33.2	25%	0.247	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.3	-159.9	-174.2	0	0	0	0	0	112.6	P279 G280 S281 Q282 C476	P279-G474 PolarHBondContact O-N 2.89Å; G280-G474 PolarHBondContact O-N 2.82Å; S281-G474 CarbonylContact C-O 3.53Å; S281-G474 WeakPolarHBondContact CA-O 3.49Å; Q282-G474 PolarHBondContact N-O 3.12Å; G474-C476 PolarHBondContact O-N 3.22Å; G474-C476 VanDerWaalsContact O-N 3.15Å
475	R	86.1	Confident	90.2	Very high	164 Å²	164	36 Å²	36	62%	0.619	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62	116.9	-177.1	-174.2	179.9	179.8	-171.9	0.4	111.3	I284	I284-R475 HydrophobicContact CG2-CG 4.09Å
476	C	89.5	Confident	89.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115	-178.5	-168.8	0	0	0	0	110.5	S281 Q282 V472 G474 T478 V479	S281-C476 VanDerWaalsContact OG-CB 3.26Å; S281-C476 WeakPolarHBondContact OG-CB 3.5Å; Q282-C476 PolarHBondContact O-N 3.09Å; V472-C476 HydrophobicContact CB-CB 4.48Å; G474-C476 PolarHBondContact O-N 3.22Å; G474-C476 VanDerWaalsContact O-N 3.15Å; C476-T478 PolarHBondContact O-N 3.26Å; C476-T478 PolarHBondContact SG-OG1 3.41Å; C476-V479 HydrophobicContact CB-CB 4.37Å; C476-V479 HydrophobicContact CB-CG2 4.14Å
477	P	89.2	Confident	88.9	Confident	81 Å²	81	42.1 Å²	42.1	53%	0.526	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-13.8	-176.2	30	-34.7	0	0	0	113.7	I284	I284-P477 WeakPolarHBondContact CD1-O 3.28Å
478	T	93.1	Very high	88.6	Confident	18 Å²	18	42.7 Å²	42.7	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-18.9	-175.5	45.3	0	0	0	0	113	Y299 E469 C476	Y299-T478 WeakPolarHBondContact CE1-O 3.25Å; Y299-T478 VanDerWaalsContact CZ-O 3.31Å; Y299-T478 PolarHBondContact OH-O 3.47Å; E469-T478 PolarHBondContact OE1-OG1 3.37Å; E469-T478 WeakPolarHBondContact OE2-CB 3.28Å; E469-T478 WeakPolarHBondContact OE2-CG2 3.33Å; E469-T478 PolarHBondContact OE2-OG1 3.04Å; C476-T478 PolarHBondContact O-N 3.26Å; C476-T478 PolarHBondContact SG-OG1 3.41Å
479	V	94.6	Very high	88.7	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114	171.3	-172.7	0	0	0	0	108.7	P283 I284 V463 Q465 C476	P283-V479 CarbonylContact C-O 3.52Å; P283-V479 WeakPolarHBondContact CA-O 3.45Å; P283-V479 HydrophobicContact CB-CB 4.22Å; P283-V479 HydrophobicContact CB-CG1 3.83Å; P283-V479 WeakPolarHBondContact CB-O 3.32Å; I284-V479 PolarHBondContact N-O 3.02Å; V463-V479 HydrophobicContact CG1-CG1 4.2Å; Q465-V479 VanDerWaalsContact OE1-CG2 3.3Å; C476-V479 HydrophobicContact CB-CB 4.37Å; C476-V479 HydrophobicContact CB-CG2 4.14Å
480	L	94.5	Very high	88.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.9	-172	-43	173.3	0	0	0	110	I284 L286 L293 L294 Y299 V463 L464	I284-L480 HydrophobicContact CD1-CD2 3.95Å; I284-L480 HydrophobicContact CG1-CD2 3.69Å; I284-L480 CarbonylContact O-C 3.55Å; I284-L480 WeakPolarHBondContact O-CA 3.25Å; L286-L480 HydrophobicContact CD1-CB 4.16Å; L286-L480 HydrophobicContact CD1-CD1 3.55Å; L286-L480 HydrophobicContact CD1-CG 4.4Å; L293-L480 HydrophobicContact CB-CD1 4.47Å; L293-L480 HydrophobicContact CD1-CD1 4.21Å; L293-L480 HydrophobicContact CD1-CD2 4.07Å; L294-L480 HydrophobicContact CD2-CD1 4.27Å; Y299-L480 HydrophobicContact CE1-CD1 4.2Å; Y299-L480 HydrophobicContact CE1-CG 4.27Å; V463-L480 WeakPolarHBondContact CA-O 3.38Å; L464-L480 HydrophobicContact CB-CB 4.13Å; L464-L480 HydrophobicContact CD1-CB 4.21Å; L464-L480 PolarHBondContact N-O 2.81Å; L464-L480 PolarHBondContact O-N 2.97Å
481	K	92.3	Very high	89	Confident	61 Å²	61	40.2 Å²	40.2	27%	0.265	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.5	168.8	61.6	-179.4	175.8	-165.6	0	109.1	P283 I284 S285 L286 V462	P283-K481 HydrophobicContact CB-CB 4.39Å; P283-K481 HydrophobicContact CB-CD 4.47Å; P283-K481 HydrophobicContact CB-CG 4.4Å; P283-K481 HydrophobicContact CG-CD 4.14Å; I284-K481 WeakPolarHBondContact O-CG 3.47Å; I284-K481 PolarHBondContact O-N 3.47Å; S285-K481 CarbonylContact C-O 3.53Å; S285-K481 WeakPolarHBondContact CA-O 3.28Å; S285-K481 WeakPolarHBondContact OG-CE 3.45Å; L286-K481 PolarHBondContact N-O 3.1Å; V462-K481 WeakPolarHBondContact O-CA 3.27Å
482	W	91.3	Very high	89.1	Confident	16 Å²	16	39.9 Å²	39.9	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.9	171	173.4	89.5	0	0	0	109.3	L286 G461 V462 P484 I576 K578 L581	L286-W482 HydrophobicContact CB-CB 4Å; L286-W482 HydrophobicContact CD2-CB 3.9Å; L286-W482 HydrophobicContact CD2-CG 4.16Å; G461-W482 CarbonylContact C-O 3.43Å; G461-W482 WeakPolarHBondContact CA-O 3.47Å; V462-W482 HydrophobicContact CG2-CB 3.75Å; V462-W482 HydrophobicContact CG2-CD2 4.46Å; V462-W482 HydrophobicContact CG2-CE3 3.98Å; V462-W482 HydrophobicContact CG2-CG 4.43Å; V462-W482 PolarHBondContact N-O 2.7Å; V462-W482 PolarHBondContact O-N 3.4Å; W482-P484 HydrophobicContact CH2-CG 3.92Å; W482-P484 HydrophobicContact CZ3-CG 4.22Å; W482-I576 PolarHBondContact NE1-O 2.93Å; W482-K578 HydrophobicContact CH2-CB 4.08Å; W482-K578 HydrophobicContact CZ2-CB 4.27Å; W482-L581 HydrophobicContact CB-CD2 4.4Å; W482-L581 HydrophobicContact CD2-CD2 4.04Å; W482-L581 HydrophobicContact CE3-CD2 4.44Å; W482-L581 HydrophobicContact CG-CD2 4.03Å
483	K	86	Confident	89.4	Confident	53 Å²	53	39.4 Å²	39.4	23%	0.23	22%	0.224	C	C	.	.			trans	-134.8	148.6	170	-58.8	-162.9	-176.3	-171.2	0	108.4	D460 S485	D460-K483 WeakPolarHBondContact O-CD 3.41Å; D460-K483 VanDerWaalsContact O-CG 3.26Å; D460-K483 WeakPolarHBondContact O-CG 3.39Å; D460-K483 WeakPolarHBondContact OD2-CE 3.1Å; D460-K483 IonicContact OD2-NZ 3.08Å; D460-K483 PolarHBondContact OD2-NZ 3.33Å; K483-S485 PolarHBondContact O-N 3.46Å
484	P	84.3	Confident	89.8	Confident	41 Å²	41	38.3 Å²	38.3	27%	0.266	21%	0.213	S	C	.	.			trans	-49.2	139.6	165.4	-25	33.2	0	0	0	110.9	W482 S486 L487	W482-P484 HydrophobicContact CH2-CG 3.92Å; W482-P484 HydrophobicContact CZ3-CG 4.22Å; P484-S486 PolarHBondContact O-N 2.87Å; P484-S486 VanDerWaalsContact O-N 3.14Å; P484-L487 HydrophobicContact CB-CG 4.41Å; P484-L487 HydrophobicContact CG-CD1 4.19Å; P484-L487 PolarHBondContact O-N 3.47Å
485	S	81.2	Confident	90.2	Very high	57 Å²	57	42.4 Å²	42.4	40%	0.399	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.3	-29.3	-179.6	50.9	0	0	0	0	112.8	K483 L487 N488	K483-S485 PolarHBondContact O-N 3.46Å; S485-L487 PolarHBondContact O-N 2.83Å; S485-N488 WeakPolarHBondContact O-CB 3.42Å; S485-N488 PolarHBondContact O-N 2.98Å
486	S	80.1	Confident	90.7	Very high	98 Å²	98	35.4 Å²	35.4	69%	0.685	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.5	-21.9	174.1	54.2	0	0	0	0	114.5	P484	P484-S486 PolarHBondContact O-N 2.87Å; P484-S486 VanDerWaalsContact O-N 3.14Å
487	L	82.3	Confident	90.8	Very high	89 Å²	89	39.4 Å²	39.4	47%	0.466	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-100	3.7	178.5	-61.3	-177.3	0	0	0	112.9	D460 P484 S485	D460-L487 HydrophobicContact CB-CD1 4.32Å; P484-L487 HydrophobicContact CB-CG 4.41Å; P484-L487 HydrophobicContact CG-CD1 4.19Å; P484-L487 PolarHBondContact O-N 3.47Å; S485-L487 PolarHBondContact O-N 2.83Å
488	N	86.3	Confident	90.9	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	21%	0.208	C	C	.	.			trans	-82.3	126.7	178	-80.5	-31.9	0	0	0	110.8	S485 S541 V568 I572	S485-N488 WeakPolarHBondContact O-CB 3.42Å; S485-N488 PolarHBondContact O-N 2.98Å; N488-S541 WeakPolarHBondContact O-CB 3.46Å; N488-V568 HydrophobicContact CB-CG1 3.97Å; N488-I572 HydrophobicContact CB-CD1 4.07Å; N488-I572 HydrophobicContact CB-CG1 3.89Å
489	S	91.3	Very high	90.6	Very high	31 Å²	31	41 Å²	41	22%	0.217	21%	0.212	C	C	.	.			trans	-137.2	159.1	176.9	62.6	0	0	0	0	111.6	E539 C540	S489-E539 VanDerWaalsContact CB-OE1 3.27Å; S489-E539 WeakPolarHBondContact CB-OE1 3.45Å; S489-E539 PolarHBondContact OG-OE1 3.44Å; S489-C540 CarbonylContact C-O 3.54Å; S489-C540 WeakPolarHBondContact CA-O 3.25Å; S489-C540 WeakPolarHBondContact CB-O 3.36Å
490	V	93.4	Very high	90.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.2	174.6	-174.6	0	0	0	0	108.8	F492 C540 W547 N560 A565 V568	V490-F492 HydrophobicContact CB-CD2 4.21Å; V490-F492 HydrophobicContact CB-CE1 4.15Å; V490-F492 HydrophobicContact CB-CE2 3.56Å; V490-F492 HydrophobicContact CB-CZ 3.53Å; V490-F492 HydrophobicContact CG1-CD1 3.96Å; V490-F492 HydrophobicContact CG1-CD2 4.25Å; V490-F492 HydrophobicContact CG1-CE1 3.46Å; V490-F492 VanDerWaalsContact CG1-CE1 3.46Å; V490-F492 HydrophobicContact CG1-CE2 3.8Å; V490-F492 HydrophobicContact CG1-CG 4.33Å; V490-F492 HydrophobicContact CG1-CZ 3.38Å; V490-F492 HydrophobicContact CG2-CE2 4.44Å; V490-F492 HydrophobicContact CG2-CZ 4.15Å; V490-C540 PolarHBondContact N-O 3.24Å; V490-C540 PolarHBondContact O-N 3.11Å; V490-W547 HydrophobicContact CB-CH2 4.38Å; V490-W547 HydrophobicContact CB-CZ3 4.38Å; V490-W547 HydrophobicContact CG2-CH2 3.85Å; V490-W547 HydrophobicContact CG2-CZ3 4.18Å; V490-N560 HydrophobicContact CG1-CB 4.15Å; V490-A565 HydrophobicContact CG1-CB 3.79Å; V490-V568 HydrophobicContact CG2-CB 3.53Å; V490-V568 HydrophobicContact CG2-CG1 3.41Å; V490-V568 VanDerWaalsContact CG2-CG1 3.41Å; V490-V568 HydrophobicContact CG2-CG2 4.03Å
491	D	94.1	Very high	89.6	Confident	7 Å²	7	57 Å²	57	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.7	172.8	-44.7	-69	0	0	0	110.1	I537 I538 R553 K556 P559 N560	D491-I537 HydrophobicContact CB-CG2 4.05Å; D491-I538 CarbonylContact C-O 3.55Å; D491-I538 VanDerWaalsContact CA-O 3.29Å; D491-I538 WeakPolarHBondContact CA-O 3.42Å; D491-R553 WeakPolarHBondContact OD1-CG 3.37Å; D491-R553 IonicContact OD1-CZ 3.18Å; D491-R553 IonicContact OD1-NE 3.47Å; D491-R553 IonicContact OD1-NH1 2.84Å; D491-R553 PolarHBondContact OD1-NH1 3.17Å; D491-R553 IonicContact OD2-NH1 3.74Å; D491-R553 PolarHBondContact OD2-NH1 2.89Å; D491-K556 HydrophobicContact CB-CD 4.28Å; D491-K556 IonicContact OD2-NZ 2.84Å; D491-K556 PolarHBondContact OD2-NZ 3.47Å; D491-P559 WeakPolarHBondContact O-CB 3.31Å; D491-N560 PolarHBondContact N-OD1 3.3Å; D491-N560 PolarHBondContact O-N 3.12Å; D491-N560 PolarHBondContact OD2-ND2 2.63Å; D491-N560 PolarHBondContact OD2-OD1 2.93Å
492	F	96.8	Very high	89	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152.6	179.4	-62.2	-69	0	0	0	111	V490 L512 M513 V514 F521 I537 I538 C540 W547 A565	V490-F492 HydrophobicContact CB-CD2 4.21Å; V490-F492 HydrophobicContact CB-CE1 4.15Å; V490-F492 HydrophobicContact CB-CE2 3.56Å; V490-F492 HydrophobicContact CB-CZ 3.53Å; V490-F492 HydrophobicContact CG1-CD1 3.96Å; V490-F492 HydrophobicContact CG1-CD2 4.25Å; V490-F492 HydrophobicContact CG1-CE1 3.46Å; V490-F492 VanDerWaalsContact CG1-CE1 3.46Å; V490-F492 HydrophobicContact CG1-CE2 3.8Å; V490-F492 HydrophobicContact CG1-CG 4.33Å; V490-F492 HydrophobicContact CG1-CZ 3.38Å; V490-F492 HydrophobicContact CG2-CE2 4.44Å; V490-F492 HydrophobicContact CG2-CZ 4.15Å; F492-L512 HydrophobicContact CB-CB 4.05Å; F492-L512 HydrophobicContact CB-CD2 3.98Å; F492-L512 HydrophobicContact CD1-CB 3.97Å; F492-L512 HydrophobicContact CD2-CB 4.05Å; F492-L512 HydrophobicContact CD2-CD1 3.85Å; F492-L512 HydrophobicContact CD2-CD2 4.01Å; F492-L512 HydrophobicContact CD2-CG 4.19Å; F492-L512 HydrophobicContact CE1-CB 4.39Å; F492-L512 HydrophobicContact CE2-CB 4.44Å; F492-L512 HydrophobicContact CE2-CD1 3.85Å; F492-L512 HydrophobicContact CG-CB 3.78Å; F492-L512 HydrophobicContact CG-CD1 4.44Å; F492-L512 HydrophobicContact CG-CD2 4.18Å; F492-L512 HydrophobicContact CG-CG 4.36Å; F492-L512 HydrophobicContact CZ-CD1 4.46Å; F492-M513 WeakPolarHBondContact CA-O 3.33Å; F492-V514 HydrophobicContact CD1-CG1 3.78Å; F492-V514 HydrophobicContact CE1-CG1 3.69Å; F492-F521 HydrophobicContact CE1-CB 4.28Å; F492-F521 AromaticContact CE1-CD1 3.65Å; F492-F521 HydrophobicContact CE1-CD1 3.65Å; F492-F521 HydrophobicContact CE1-CE1 4.28Å; F492-F521 HydrophobicContact CE1-CG 4.13Å; F492-F521 AromaticContact CZ-CD1 3.86Å; F492-F521 HydrophobicContact CZ-CD1 3.86Å; F492-F521 HydrophobicContact CZ-CE1 4.19Å; F492-I537 CarbonylContact O-C 3.55Å; F492-I537 VanDerWaalsContact O-CA 3.28Å; F492-I537 WeakPolarHBondContact O-CA 3.29Å; F492-I538 PolarHBondContact N-O 3.03Å; F492-I538 PolarHBondContact O-N 3.47Å; F492-C540 HydrophobicContact CD2-CB 3.96Å; F492-C540 HydrophobicContact CE2-CB 4.11Å; F492-W547 HydrophobicContact CE2-CD2 4.1Å; F492-W547 AromaticContact CE2-CE3 3.85Å; F492-W547 HydrophobicContact CE2-CE3 3.85Å; F492-W547 AromaticContact CE2-CH2 3.97Å; F492-W547 HydrophobicContact CE2-CH2 3.97Å; F492-W547 HydrophobicContact CE2-CZ2 4.22Å; F492-W547 AromaticContact CE2-CZ3 3.78Å; F492-W547 HydrophobicContact CE2-CZ3 3.78Å; F492-W547 AromaticContact CZ-CH2 3.92Å; F492-W547 HydrophobicContact CZ-CH2 3.92Å; F492-W547 AromaticContact CZ-CZ2 3.97Å; F492-W547 HydrophobicContact CZ-CZ2 3.97Å; F492-W547 HydrophobicContact CZ-CZ3 4.22Å; F492-A565 HydrophobicContact CE1-CB 4.18Å
493	L	96.1	Very high	88.6	Confident	40 Å²	40	64 Å²	64	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.3	161.2	168.6	70	0	0	0	107.8	M513 P559	L493-M513 HydrophobicContact CB-CB 4.07Å; L493-M513 HydrophobicContact CD2-CB 4.46Å; L493-M513 HydrophobicContact CG-CB 4.46Å; L493-M513 PolarHBondContact N-O 2.57Å; L493-M513 WeakPolarHBondContact O-CB 3.22Å; L493-M513 WeakPolarHBondContact O-CG 3.41Å; L493-M513 PolarHBondContact O-N 3.13Å; L493-P559 HydrophobicContact CB-CB 4.31Å; L493-P559 HydrophobicContact CB-CG 4.17Å
494	L	96.9	Very high	88.3	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.3	178.9	-179.9	66.7	0	0	0	110.5	I496 L512 M524 L530 N535 K536 I538	L494-I496 HydrophobicContact CD1-CG1 4.22Å; L494-I496 HydrophobicContact CD2-CD1 3.82Å; L494-I496 HydrophobicContact CD2-CG1 3.9Å; L494-I496 HydrophobicContact CG-CD1 4.41Å; L494-I496 HydrophobicContact CG-CG1 3.93Å; L494-L512 HydrophobicContact CD1-CD2 4.1Å; L494-M524 HydrophobicContact CD1-CG 4.29Å; L494-M524 HydrophobicContact CD1-SD 3.94Å; L494-L530 HydrophobicContact CD2-CD1 4.22Å; L494-L530 HydrophobicContact CD2-CD2 4.21Å; L494-L530 HydrophobicContact CD2-CG 3.92Å; L494-N535 VanDerWaalsContact O-CA 3.26Å; L494-N535 WeakPolarHBondContact O-CA 3.07Å; L494-N535 PolarHBondContact O-N 3.49Å; L494-K536 PolarHBondContact N-O 3.36Å; L494-I538 HydrophobicContact CB-CD1 3.79Å; L494-I538 HydrophobicContact CB-CG1 4.02Å; L494-I538 HydrophobicContact CB-CG2 4.39Å; L494-I538 HydrophobicContact CD1-CD1 4.11Å; L494-I538 HydrophobicContact CD2-CD1 4.04Å; L494-I538 HydrophobicContact CG-CD1 4.17Å
495	R	95.9	Very high	88	Confident	110 Å²	110	74.2 Å²	74.2	42%	0.415	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.4	167.6	-69.5	-173.2	178	179.4	0.5	110	K511 M513	R495-K511 HydrophobicContact CB-CB 4.27Å; R495-K511 PolarHBondContact N-O 3.47Å; R495-K511 WeakPolarHBondContact O-CB 3.22Å; R495-K511 PolarHBondContact O-N 2.79Å; R495-M513 HydrophobicContact CG-CG 4.09Å
496	I	95.3	Very high	88.2	Confident	17 Å²	17	74 Å²	74	9%	0.087	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.3	179.2	-61.1	175.2	0	0	0	109.2	L494 Y508 V509 V526 L531 N534	L494-I496 HydrophobicContact CD1-CG1 4.22Å; L494-I496 HydrophobicContact CD2-CD1 3.82Å; L494-I496 HydrophobicContact CD2-CG1 3.9Å; L494-I496 HydrophobicContact CG-CD1 4.41Å; L494-I496 HydrophobicContact CG-CG1 3.93Å; I496-Y508 HydrophobicContact CG2-CD1 3.83Å; I496-Y508 HydrophobicContact CG2-CG 4.5Å; I496-V509 WeakPolarHBondContact CA-O 3.36Å; I496-V526 HydrophobicContact CD1-CG1 4.07Å; I496-V526 HydrophobicContact CG1-CG2 4.35Å; I496-V526 HydrophobicContact CG2-CG1 4.22Å; I496-V526 HydrophobicContact CG2-CG2 4.21Å; I496-L531 HydrophobicContact CD1-CD2 4.14Å; I496-L531 HydrophobicContact CG2-CD2 4.03Å; I496-N534 HydrophobicContact CB-CB 4.39Å; I496-N534 HydrophobicContact CD1-CB 4.18Å; I496-N534 HydrophobicContact CG1-CB 4.38Å; I496-N534 PolarHBondContact N-OD1 3.41Å
497	E	93	Very high	88.5	Confident	84 Å²	84	75.1 Å²	75.1	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.6	176.4	-67.1	179.1	-151.9	0	0	110.4	Y508 V509 K511	E497-Y508 WeakPolarHBondContact O-CA 3.44Å; E497-V509 PolarHBondContact N-O 2.8Å; E497-V509 PolarHBondContact O-N 3.39Å; E497-K511 HydrophobicContact CG-CD 4.41Å; E497-K511 WeakPolarHBondContact OE1-CD 3.2Å; E497-K511 IonicContact OE1-NZ 3.85Å; E497-K511 PolarHBondContact OE1-NZ 2.94Å; E497-K511 VanDerWaalsContact OE1-NZ 3.15Å; E497-K511 WeakPolarHBondContact OE2-CE 3.37Å; E497-K511 IonicContact OE2-NZ 3.15Å; E497-K511 PolarHBondContact OE2-NZ 3.15Å
498	K	90.9	Very high	89	Confident	92 Å²	92	76.4 Å²	76.4	40%	0.4	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.7	172.6	-173.7	172.5	-177.1	171	0	108.6	S506 Y508	K498-S506 WeakPolarHBondContact CE-OG 3.36Å; K498-Y508 HydrophobicContact CB-CD1 4.07Å; K498-Y508 HydrophobicContact CB-CE1 3.87Å; K498-Y508 HydrophobicContact CD-CE1 4.36Å; K498-Y508 HydrophobicContact CD-CE2 4.41Å; K498-Y508 HydrophobicContact CG-CE1 4.34Å
499	E	86.9	Confident	89.4	Confident	42 Å²	42	76.5 Å²	76.5	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.5	177.4	-68.2	-162.6	177.3	0	0	110.4	R501 S506 Q507 V509	E499-R501 IonicContact OE2-CZ 3.02Å; E499-R501 IonicContact OE2-NE 3.86Å; E499-R501 PolarHBondContact OE2-NE 3.41Å; E499-R501 IonicContact OE2-NH2 2.83Å; E499-R501 PolarHBondContact OE2-NH2 3.09Å; E499-S506 WeakPolarHBondContact O-CA 3.42Å; E499-Q507 PolarHBondContact N-O 3.34Å; E499-Q507 PolarHBondContact O-N 3.08Å; E499-V509 HydrophobicContact CB-CG2 4.39Å; E499-V509 HydrophobicContact CG-CB 4.37Å; E499-V509 HydrophobicContact CG-CG2 3.96Å
500	R	86.6	Confident	89.6	Confident	200 Å²	200	75 Å²	75	76%	0.755	37%	0.371	S	S	*	.			trans	-117.2	119.2	171	-59.5	-176.5	-172.1	-168.5	2	107.4
501	R	80.2	Confident	89.7	Confident	145 Å²	145	76.9 Å²	76.9	55%	0.547	38%	0.379	S	S	.	.			trans	-123.2	136.3	174.4	-58.9	-177.8	-171.6	-168.1	0.3	108.2	E499 G503 F504	E499-R501 IonicContact OE2-CZ 3.02Å; E499-R501 IonicContact OE2-NE 3.86Å; E499-R501 PolarHBondContact OE2-NE 3.41Å; E499-R501 IonicContact OE2-NH2 2.83Å; E499-R501 PolarHBondContact OE2-NH2 3.09Å; R501-G503 PolarHBondContact O-N 2.72Å; R501-F504 HydrophobicContact CB-CB 4.2Å; R501-F504 HydrophobicContact CB-CD2 3.9Å; R501-F504 HydrophobicContact CB-CG 4.33Å; R501-F504 PolarHBondContact O-N 2.84Å
502	P	81.3	Confident	89.9	Confident	133 Å²	133	76.6 Å²	76.6	86%	0.864	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127	173.8	-25.3	34.4	0	0	0	110.5
503	G	81.3	Confident	89.9	Confident	89 Å²	89	76.9 Å²	76.9	92%	0.918	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-2	-178.8	0	0	0	0	0	116.7	R501	R501-G503 PolarHBondContact O-N 2.72Å
504	F	79.2	Confident	89.8	Confident	152 Å²	152	75.2 Å²	75.2	67%	0.667	37%	0.37	S	S	*	.	S	Bend	trans	-115.9	147.4	178.2	-69.6	-99.4	0	0	0	112.1	R501 S506	R501-F504 HydrophobicContact CB-CB 4.2Å; R501-F504 HydrophobicContact CB-CD2 3.9Å; R501-F504 HydrophobicContact CB-CG 4.33Å; R501-F504 PolarHBondContact O-N 2.84Å; F504-S506 PolarHBondContact O-N 3.37Å
505	I	79.3	Confident	89.4	Confident	157 Å²	157	78.1 Å²	78.1	81%	0.805	39%	0.385	S	S	*	.			trans	-64.7	130.6	169.3	-62.3	174.3	0	0	0	108.3	Q507	I505-Q507 PolarHBondContact O-N 2.95Å
506	S	84.2	Confident	88.9	Confident	53 Å²	53	80.2 Å²	80.2	37%	0.371	41%	0.405	S	S	.	.			trans	-62.8	125	179.4	67.6	0	0	0	0	110.4	K498 E499 F504	K498-S506 WeakPolarHBondContact CE-OG 3.36Å; E499-S506 WeakPolarHBondContact O-CA 3.42Å; F504-S506 PolarHBondContact O-N 3.37Å
507	Q	88	Confident	88.6	Confident	122 Å²	122	81.4 Å²	81.4	57%	0.57	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.3	-179	64.2	-178.9	5.3	0	0	111.1	E499 I505 V509	E499-Q507 PolarHBondContact N-O 3.34Å; E499-Q507 PolarHBondContact O-N 3.08Å; I505-Q507 PolarHBondContact O-N 2.95Å; Q507-V509 HydrophobicContact CG-CG2 4.18Å
508	Y	92.4	Very high	88.4	Confident	115 Å²	115	87 Å²	87	45%	0.451	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132	171.7	-72.1	-85.8	0	0	0	109.4	I496 E497 K498 L531	I496-Y508 HydrophobicContact CG2-CD1 3.83Å; I496-Y508 HydrophobicContact CG2-CG 4.5Å; E497-Y508 WeakPolarHBondContact O-CA 3.44Å; K498-Y508 HydrophobicContact CB-CD1 4.07Å; K498-Y508 HydrophobicContact CB-CE1 3.87Å; K498-Y508 HydrophobicContact CD-CE1 4.36Å; K498-Y508 HydrophobicContact CD-CE2 4.41Å; K498-Y508 HydrophobicContact CG-CE1 4.34Å; Y508-L531 HydrophobicContact CD1-CD2 4.26Å; Y508-L531 HydrophobicContact CG-CD2 4.49Å
509	V	93.6	Very high	88.5	Confident	17 Å²	17	87.3 Å²	87.3	10%	0.103	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	177.7	-176.4	0	0	0	0	108.6	I496 E497 E499 Q507 N523 V526	I496-V509 WeakPolarHBondContact CA-O 3.36Å; E497-V509 PolarHBondContact N-O 2.8Å; E497-V509 PolarHBondContact O-N 3.39Å; E499-V509 HydrophobicContact CB-CG2 4.39Å; E499-V509 HydrophobicContact CG-CB 4.37Å; E499-V509 HydrophobicContact CG-CG2 3.96Å; Q507-V509 HydrophobicContact CG-CG2 4.18Å; V509-N523 HydrophobicContact CG1-CB 3.93Å; V509-V526 VanDerWaalsContact C-CG2 3.48Å
510	G	95.9	Very high	88.9	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.1	176.3	0	0	0	0	0	109.5	N523 M524	G510-N523 CarbonylContact O-C 3.48Å; G510-N523 VanDerWaalsContact O-CA 3.28Å; G510-N523 WeakPolarHBondContact O-CA 3.45Å; G510-M524 PolarHBondContact N-O 2.93Å; G510-M524 PolarHBondContact O-N 3.48Å
511	K	96.5	Very high	89.3	Confident	40 Å²	40	78.8 Å²	78.8	17%	0.174	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.6	175.2	-66.5	177.8	174.1	-177.5	0	109.6	R495 E497 M513 P520	R495-K511 HydrophobicContact CB-CB 4.27Å; R495-K511 PolarHBondContact N-O 3.47Å; R495-K511 WeakPolarHBondContact O-CB 3.22Å; R495-K511 PolarHBondContact O-N 2.79Å; E497-K511 HydrophobicContact CG-CD 4.41Å; E497-K511 WeakPolarHBondContact OE1-CD 3.2Å; E497-K511 IonicContact OE1-NZ 3.85Å; E497-K511 PolarHBondContact OE1-NZ 2.94Å; E497-K511 VanDerWaalsContact OE1-NZ 3.15Å; E497-K511 WeakPolarHBondContact OE2-CE 3.37Å; E497-K511 IonicContact OE2-NZ 3.15Å; E497-K511 PolarHBondContact OE2-NZ 3.15Å; K511-M513 HydrophobicContact CB-SD 4.4Å; K511-P520 HydrophobicContact CB-CB 4.04Å; K511-P520 HydrophobicContact CB-CG 3.87Å; K511-P520 HydrophobicContact CD-CG 3.78Å; K511-P520 HydrophobicContact CG-CB 4.38Å; K511-P520 HydrophobicContact CG-CG 3.92Å
512	L	97.1	Very high	90	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.3	-179.5	-61.4	179.9	0	0	0	109.8	F492 L494 F521 D522 M524 I538 W547	F492-L512 HydrophobicContact CB-CB 4.05Å; F492-L512 HydrophobicContact CB-CD2 3.98Å; F492-L512 HydrophobicContact CD1-CB 3.97Å; F492-L512 HydrophobicContact CD2-CB 4.05Å; F492-L512 HydrophobicContact CD2-CD1 3.85Å; F492-L512 HydrophobicContact CD2-CD2 4.01Å; F492-L512 HydrophobicContact CD2-CG 4.19Å; F492-L512 HydrophobicContact CE1-CB 4.39Å; F492-L512 HydrophobicContact CE2-CB 4.44Å; F492-L512 HydrophobicContact CE2-CD1 3.85Å; F492-L512 HydrophobicContact CG-CB 3.78Å; F492-L512 HydrophobicContact CG-CD1 4.44Å; F492-L512 HydrophobicContact CG-CD2 4.18Å; F492-L512 HydrophobicContact CG-CG 4.36Å; F492-L512 HydrophobicContact CZ-CD1 4.46Å; L494-L512 HydrophobicContact CD1-CD2 4.1Å; L512-F521 WeakPolarHBondContact O-CB 3.31Å; L512-F521 PolarHBondContact O-N 3.46Å; L512-D522 WeakPolarHBondContact CB-O 3.48Å; L512-D522 HydrophobicContact CD1-CB 4.4Å; L512-D522 PolarHBondContact N-O 3.25Å; L512-M524 HydrophobicContact CD1-CB 4.31Å; L512-M524 HydrophobicContact CD2-CG 4.08Å; L512-M524 HydrophobicContact CD2-SD 3.76Å; L512-M524 HydrophobicContact CG-CG 4.39Å; L512-I538 HydrophobicContact CD2-CD1 4.25Å; L512-W547 HydrophobicContact CD1-CB 3.66Å; L512-W547 HydrophobicContact CD1-CD2 4Å; L512-W547 HydrophobicContact CD1-CG 3.48Å; L512-W547 VanDerWaalsContact CD1-CG 3.48Å
513	M	96.9	Very high	90.6	Very high	7 Å²	7	71.4 Å²	71.4	3%	0.034	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.3	-176.4	-50.5	-63.8	-60.7	0	0	111.3	F492 L493 R495 K511 S517 P520	F492-M513 WeakPolarHBondContact CA-O 3.33Å; L493-M513 HydrophobicContact CB-CB 4.07Å; L493-M513 HydrophobicContact CD2-CB 4.46Å; L493-M513 HydrophobicContact CG-CB 4.46Å; L493-M513 PolarHBondContact N-O 2.57Å; L493-M513 WeakPolarHBondContact O-CB 3.22Å; L493-M513 WeakPolarHBondContact O-CG 3.41Å; L493-M513 PolarHBondContact O-N 3.13Å; R495-M513 HydrophobicContact CG-CG 4.09Å; K511-M513 HydrophobicContact CB-SD 4.4Å; M513-S517 WeakPolarHBondContact CE-O 3.48Å; M513-P520 VanDerWaalsContact SD-CA 3.6Å; M513-P520 HydrophobicContact SD-CB 3.99Å; M513-P520 HydrophobicContact SD-CG 3.82Å
514	V	94.8	Very high	91.3	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.03	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-103.8	168.6	171.8	-64.4	0	0	0	0	110.7	F492 D516 S517 F521 N560 Y562 A565	F492-V514 HydrophobicContact CD1-CG1 3.78Å; F492-V514 HydrophobicContact CE1-CG1 3.69Å; V514-D516 PolarHBondContact O-N 3.46Å; V514-S517 PolarHBondContact O-N 3.47Å; V514-F521 HydrophobicContact CG1-CB 3.73Å; V514-F521 HydrophobicContact CG1-CD2 4.04Å; V514-F521 HydrophobicContact CG1-CG 3.9Å; V514-F521 HydrophobicContact CG2-CB 4.29Å; V514-F521 HydrophobicContact CG2-CD2 4.49Å; V514-N560 WeakPolarHBondContact CB-O 3.45Å; V514-Y562 HydrophobicContact CG2-CD2 4.14Å; V514-A565 HydrophobicContact CG1-CB 3.65Å
515	L	89.2	Confident	91.9	Very high	60 Å²	60	64.2 Å²	64.2	31%	0.314	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.4	-175.4	-171.3	58.8	0	0	0	111.6	S517 F558 P559 N560	L515-S517 PolarHBondContact O-N 3.01Å; L515-F558 HydrophobicContact CD1-CB 3.97Å; L515-F558 HydrophobicContact CD1-CD1 3.98Å; L515-F558 HydrophobicContact CD1-CG 4.25Å; L515-P559 HydrophobicContact CB-CG 4.4Å; L515-N560 PolarHBondContact N-O 3.25Å
516	D	84.6	Confident	92.6	Very high	155 Å²	155	58.2 Å²	58.2	83%	0.829	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	10.9	178.3	-57.6	-32.4	0	0	0	116.2	V514	V514-D516 PolarHBondContact O-N 3.46Å
517	S	88.9	Confident	93	Very high	41 Å²	41	60 Å²	60	29%	0.287	31%	0.314	S	S	.	.			trans	-87.4	129.2	175.8	-173.9	0	0	0	0	111.4	M513 V514 L515 V519	M513-S517 WeakPolarHBondContact CE-O 3.48Å; V514-S517 PolarHBondContact O-N 3.47Å; L515-S517 PolarHBondContact O-N 3.01Å; S517-V519 VanDerWaalsContact C-N 3.35Å; S517-V519 PolarHBondContact OG-N 3.37Å; S517-V519 PolarHBondContact OG-O 3.38Å
518	K	88.9	Confident	93.1	Very high	201 Å²	201	63.1 Å²	63.1	87%	0.874	33%	0.326	S	S	*	.	S	Bend	trans	-80.5	-19.7	170	-65.3	-176.5	-179.4	179.2	0	112.7
519	V	92.8	Very high	93	Very high	100 Å²	100	63.2 Å²	63.2	61%	0.606	33%	0.334	S	S	*	.	S	Bend	trans	-104	137.5	-177.9	-175.3	0	0	0	0	108.8	S517 F521	S517-V519 VanDerWaalsContact C-N 3.35Å; S517-V519 PolarHBondContact OG-N 3.37Å; S517-V519 PolarHBondContact OG-O 3.38Å; V519-F521 PolarHBondContact O-N 3.02Å
520	P	94.6	Very high	93	Very high	41 Å²	41	62.7 Å²	62.7	27%	0.266	33%	0.331	S	S	.	.			trans	-56.2	136	171.9	-23	33.4	0	0	0	111.1	K511 M513	K511-P520 HydrophobicContact CB-CB 4.04Å; K511-P520 HydrophobicContact CB-CG 3.87Å; K511-P520 HydrophobicContact CD-CG 3.78Å; K511-P520 HydrophobicContact CG-CB 4.38Å; K511-P520 HydrophobicContact CG-CG 3.92Å; M513-P520 VanDerWaalsContact SD-CA 3.6Å; M513-P520 HydrophobicContact SD-CB 3.99Å; M513-P520 HydrophobicContact SD-CG 3.82Å
521	F	95.6	Very high	92.9	Very high	21 Å²	21	66 Å²	66	9%	0.092	35%	0.349	C	S	.	.	S	Bend	trans	-70.2	-39	173.3	179.2	-94.2	0	0	0	111	F492 L512 V514 V519 W547 Y562 A565 R569	F492-F521 HydrophobicContact CE1-CB 4.28Å; F492-F521 AromaticContact CE1-CD1 3.65Å; F492-F521 HydrophobicContact CE1-CD1 3.65Å; F492-F521 HydrophobicContact CE1-CE1 4.28Å; F492-F521 HydrophobicContact CE1-CG 4.13Å; F492-F521 AromaticContact CZ-CD1 3.86Å; F492-F521 HydrophobicContact CZ-CD1 3.86Å; F492-F521 HydrophobicContact CZ-CE1 4.19Å; L512-F521 WeakPolarHBondContact O-CB 3.31Å; L512-F521 PolarHBondContact O-N 3.46Å; V514-F521 HydrophobicContact CG1-CB 3.73Å; V514-F521 HydrophobicContact CG1-CD2 4.04Å; V514-F521 HydrophobicContact CG1-CG 3.9Å; V514-F521 HydrophobicContact CG2-CB 4.29Å; V514-F521 HydrophobicContact CG2-CD2 4.49Å; V519-F521 PolarHBondContact O-N 3.02Å; F521-W547 HydrophobicContact CE1-CZ2 4.28Å; F521-Y562 HydrophobicContact CD2-CD2 4Å; F521-Y562 AromaticContact CD2-CE2 3.95Å; F521-Y562 HydrophobicContact CD2-CE2 3.95Å; F521-Y562 HydrophobicContact CE2-CD2 4.3Å; F521-Y562 HydrophobicContact CE2-CE2 4.09Å; F521-A565 HydrophobicContact CD1-CB 4.45Å; F521-A565 HydrophobicContact CD2-CB 4.14Å; F521-A565 HydrophobicContact CE1-CB 4.12Å; F521-A565 HydrophobicContact CE2-CB 3.78Å; F521-A565 HydrophobicContact CG-CB 4.46Å; F521-A565 HydrophobicContact CZ-CB 3.77Å; F521-R569 HydrophobicContact CE1-CB 4.31Å; F521-R569 HydrophobicContact CZ-CB 4.02Å; F521-R569 HydrophobicContact CZ-CG 4.5Å
522	D	95	Very high	92.7	Very high	48 Å²	48	70.3 Å²	70.3	26%	0.257	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	179.9	176.1	-144	-29	0	0	0	110.6	L512 W547	L512-D522 WeakPolarHBondContact CB-O 3.48Å; L512-D522 HydrophobicContact CD1-CB 4.4Å; L512-D522 PolarHBondContact N-O 3.25Å; D522-W547 VanDerWaalsContact CG-NE1 3.32Å; D522-W547 PolarHBondContact OD2-NE1 3.05Å
523	N	94.7	Very high	92.6	Very high	75 Å²	75	72.2 Å²	72.2	40%	0.401	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.1	174.4	-60.9	-57.9	0	0	0	111.8	V509 G510	V509-N523 HydrophobicContact CG1-CB 3.93Å; G510-N523 CarbonylContact O-C 3.48Å; G510-N523 VanDerWaalsContact O-CA 3.28Å; G510-N523 WeakPolarHBondContact O-CA 3.45Å
524	M	94.4	Very high	92.5	Very high	11 Å²	11	74.9 Å²	74.9	5%	0.054	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150	173	72.3	174	-61.9	0	0	111.9	L494 G510 L512 L530 I538 W547 F549	L494-M524 HydrophobicContact CD1-CG 4.29Å; L494-M524 HydrophobicContact CD1-SD 3.94Å; G510-M524 PolarHBondContact N-O 2.93Å; G510-M524 PolarHBondContact O-N 3.48Å; L512-M524 HydrophobicContact CD1-CB 4.31Å; L512-M524 HydrophobicContact CD2-CG 4.08Å; L512-M524 HydrophobicContact CD2-SD 3.76Å; L512-M524 HydrophobicContact CG-CG 4.39Å; M524-L530 HydrophobicContact CE-CD1 4.25Å; M524-L530 HydrophobicContact CE-CD2 3.55Å; M524-L530 HydrophobicContact CG-CD2 4.35Å; M524-L530 HydrophobicContact SD-CD2 3.81Å; M524-I538 HydrophobicContact SD-CD1 3.95Å; M524-W547 HydrophobicContact CB-CB 3.96Å; M524-F549 HydrophobicContact CE-CB 4.2Å
525	P	93.3	Very high	92.5	Very high	79 Å²	79	79.7 Å²	79.7	51%	0.513	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.2	172.3	28.3	-35.1	0	0	0	111	V546	P525-V546 VanDerWaalsContact CD-CG1 3.4Å; P525-V546 HydrophobicContact CG-CG1 3.73Å
526	V	93.5	Very high	92.7	Very high	32 Å²	32	80.4 Å²	80.4	19%	0.194	42%	0.415	C	S	.	.			trans	-108.3	118.9	-178.1	-179.5	0	0	0	0	110.2	I496 V509 L530 L531	I496-V526 HydrophobicContact CD1-CG1 4.07Å; I496-V526 HydrophobicContact CG1-CG2 4.35Å; I496-V526 HydrophobicContact CG2-CG1 4.22Å; I496-V526 HydrophobicContact CG2-CG2 4.21Å; V509-V526 VanDerWaalsContact C-CG2 3.48Å; V526-L530 HydrophobicContact CB-CD2 4.49Å; V526-L530 HydrophobicContact CG1-CB 4.39Å; V526-L530 HydrophobicContact CG1-CD2 4.45Å; V526-L530 HydrophobicContact CG2-CD2 4.33Å; V526-L531 HydrophobicContact CG1-CD2 3.79Å; V526-L531 HydrophobicContact CG1-CG 4.29Å
527	T	91.7	Very high	93.1	Very high	90 Å²	90	73.9 Å²	73.9	55%	0.552	38%	0.38	S	S	*	.			trans	-91.5	163.2	167.1	64.6	0	0	0	0	110.2	D529 L530	T527-D529 PolarHBondContact O-N 3.12Å; T527-L530 WeakPolarHBondContact O-CB 3.47Å; T527-L530 PolarHBondContact O-N 3.11Å; T527-L530 PolarHBondContact OG1-N 3.03Å
528	K	90.3	Very high	93.4	Very high	187 Å²	187	71.9 Å²	71.9	81%	0.813	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-56.5	-37.4	177.5	-169.4	178.5	-179.9	-177.3	0	112.1	L530 L531	K528-L530 VanDerWaalsContact C-N 3.3Å; K528-L530 PolarHBondContact O-N 2.88Å; K528-L531 WeakPolarHBondContact O-CB 3.49Å; K528-L531 PolarHBondContact O-N 2.9Å
529	D	91.3	Very high	93.8	Very high	117 Å²	117	63.5 Å²	63.5	63%	0.626	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-70	-25.6	178.6	-66.9	-35.6	0	0	0	113.4	T527 L531 K532	T527-D529 PolarHBondContact O-N 3.12Å; D529-L531 VanDerWaalsContact C-N 3.31Å; D529-K532 VanDerWaalsContact O-CE 3.29Å; D529-K532 WeakPolarHBondContact O-CE 3.33Å; D529-K532 WeakPolarHBondContact O-CG 3.41Å
530	L	93.6	Very high	93.8	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-74.2	-23.9	-179.8	-165.6	71.7	0	0	0	112.3	L494 M524 V526 T527 K528 K532 Y533 F549	L494-L530 HydrophobicContact CD2-CD1 4.22Å; L494-L530 HydrophobicContact CD2-CD2 4.21Å; L494-L530 HydrophobicContact CD2-CG 3.92Å; M524-L530 HydrophobicContact CE-CD1 4.25Å; M524-L530 HydrophobicContact CE-CD2 3.55Å; M524-L530 HydrophobicContact CG-CD2 4.35Å; M524-L530 HydrophobicContact SD-CD2 3.81Å; V526-L530 HydrophobicContact CB-CD2 4.49Å; V526-L530 HydrophobicContact CG1-CB 4.39Å; V526-L530 HydrophobicContact CG1-CD2 4.45Å; V526-L530 HydrophobicContact CG2-CD2 4.33Å; T527-L530 WeakPolarHBondContact O-CB 3.47Å; T527-L530 PolarHBondContact O-N 3.11Å; T527-L530 PolarHBondContact OG1-N 3.03Å; K528-L530 VanDerWaalsContact C-N 3.3Å; K528-L530 PolarHBondContact O-N 2.88Å; L530-K532 PolarHBondContact O-N 2.87Å; L530-K532 VanDerWaalsContact O-N 3.11Å; L530-Y533 HydrophobicContact CD1-CD2 4.11Å; L530-Y533 PolarHBondContact O-N 2.85Å; L530-F549 HydrophobicContact CD1-CB 3.79Å; L530-F549 HydrophobicContact CD1-CD2 3.79Å; L530-F549 HydrophobicContact CD1-CG 3.84Å
531	L	92.4	Very high	93.7	Very high	71 Å²	71	57.7 Å²	57.7	37%	0.372	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.2	-33.3	-176	-68.5	173.8	0	0	0	113.6	I496 Y508 V526 K528 D529 Y533 N534	I496-L531 HydrophobicContact CD1-CD2 4.14Å; I496-L531 HydrophobicContact CG2-CD2 4.03Å; Y508-L531 HydrophobicContact CD1-CD2 4.26Å; Y508-L531 HydrophobicContact CG-CD2 4.49Å; V526-L531 HydrophobicContact CG1-CD2 3.79Å; V526-L531 HydrophobicContact CG1-CG 4.29Å; K528-L531 WeakPolarHBondContact O-CB 3.49Å; K528-L531 PolarHBondContact O-N 2.9Å; D529-L531 VanDerWaalsContact C-N 3.31Å; L531-Y533 PolarHBondContact O-N 2.87Å; L531-N534 WeakPolarHBondContact O-CB 3.13Å; L531-N534 PolarHBondContact O-N 2.94Å
532	K	93.6	Very high	93.4	Very high	130 Å²	130	58.7 Å²	58.7	57%	0.565	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-68.9	-13.1	179.6	71.6	-165.4	175	-177.9	0	114.3	D529 L530	D529-K532 VanDerWaalsContact O-CE 3.29Å; D529-K532 WeakPolarHBondContact O-CE 3.33Å; D529-K532 WeakPolarHBondContact O-CG 3.41Å; L530-K532 PolarHBondContact O-N 2.87Å; L530-K532 VanDerWaalsContact O-N 3.11Å
533	Y	94.7	Very high	93	Very high	40 Å²	40	59.8 Å²	59.8	16%	0.157	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-99	9.3	178.8	-54.7	-72.5	0	0	0	113	L530 L531 N535 K536 I538 F549 E552	L530-Y533 HydrophobicContact CD1-CD2 4.11Å; L530-Y533 PolarHBondContact O-N 2.85Å; L531-Y533 PolarHBondContact O-N 2.87Å; Y533-N535 PolarHBondContact O-N 2.84Å; Y533-K536 HydrophobicContact CD1-CD 4.44Å; Y533-K536 VanDerWaalsContact O-CB 3.31Å; Y533-K536 WeakPolarHBondContact O-CB 3.47Å; Y533-K536 PolarHBondContact O-N 2.94Å; Y533-K536 VanDerWaalsContact O-N 3.08Å; Y533-I538 HydrophobicContact CG-CG2 4.48Å; Y533-F549 HydrophobicContact CD1-CE2 4.27Å; Y533-F549 HydrophobicContact CD1-CZ 4.28Å; Y533-F549 AromaticContact CD2-CE2 3.97Å; Y533-F549 HydrophobicContact CD2-CE2 3.97Å; Y533-F549 HydrophobicContact CD2-CZ 4.02Å; Y533-F549 HydrophobicContact CE1-CE2 4.33Å; Y533-F549 AromaticContact CE1-CZ 3.89Å; Y533-F549 HydrophobicContact CE1-CZ 3.89Å; Y533-F549 HydrophobicContact CE2-CE1 4.01Å; Y533-F549 HydrophobicContact CE2-CE2 4.02Å; Y533-F549 AromaticContact CE2-CZ 3.58Å; Y533-F549 HydrophobicContact CE2-CZ 3.58Å; Y533-F549 HydrophobicContact CG-CE2 4.08Å; Y533-F549 HydrophobicContact CG-CZ 4.33Å; Y533-F549 AromaticContact CZ-CZ 3.49Å; Y533-F549 VanDerWaalsContact CZ-CZ 3.49Å; Y533-E552 HydrophobicContact CD1-CB 3.99Å; Y533-E552 HydrophobicContact CD1-CG 4.22Å; Y533-E552 VanDerWaalsContact CD1-OE2 3.28Å; Y533-E552 WeakPolarHBondContact CD1-OE2 3.45Å; Y533-E552 HydrophobicContact CE1-CB 3.84Å; Y533-E552 HydrophobicContact CE1-CG 4.45Å; Y533-E552 VanDerWaalsContact CE1-OE2 3.23Å; Y533-E552 WeakPolarHBondContact CE1-OE2 3.24Å
534	N	95.3	Very high	92.6	Very high	62 Å²	62	64 Å²	64	33%	0.332	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.2	175.1	-168	22.8	0	0	0	111.2	I496 L531 K536	I496-N534 HydrophobicContact CB-CB 4.39Å; I496-N534 HydrophobicContact CD1-CB 4.18Å; I496-N534 HydrophobicContact CG1-CB 4.38Å; I496-N534 PolarHBondContact N-OD1 3.41Å; L531-N534 WeakPolarHBondContact O-CB 3.13Å; L531-N534 PolarHBondContact O-N 2.94Å; N534-K536 PolarHBondContact O-N 3.08Å
535	N	93.7	Very high	92.1	Very high	106 Å²	106	66.8 Å²	66.8	57%	0.567	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	21.5	-174.2	-59.8	-49.8	0	0	0	115.1	L494 Y533	L494-N535 VanDerWaalsContact O-CA 3.26Å; L494-N535 WeakPolarHBondContact O-CA 3.07Å; L494-N535 PolarHBondContact O-N 3.49Å; Y533-N535 PolarHBondContact O-N 2.84Å
536	K	93.8	Very high	92	Very high	76 Å²	76	66.1 Å²	66.1	33%	0.33	36%	0.36	S	S	.	.	S	Bend	trans	-110.1	158.9	175.1	-54.2	-158	-175.6	-175.7	0	112	L494 Y533 N534 E552	L494-K536 PolarHBondContact N-O 3.36Å; Y533-K536 HydrophobicContact CD1-CD 4.44Å; Y533-K536 VanDerWaalsContact O-CB 3.31Å; Y533-K536 WeakPolarHBondContact O-CB 3.47Å; Y533-K536 PolarHBondContact O-N 2.94Å; Y533-K536 VanDerWaalsContact O-N 3.08Å; N534-K536 PolarHBondContact O-N 3.08Å; K536-E552 HydrophobicContact CD-CG 4.15Å; K536-E552 WeakPolarHBondContact CD-OE1 3.46Å; K536-E552 WeakPolarHBondContact CE-OE1 3.39Å; K536-E552 IonicContact NZ-OE1 3.36Å; K536-E552 PolarHBondContact NZ-OE1 3.39Å; K536-E552 IonicContact NZ-OE2 2.78Å; K536-E552 PolarHBondContact NZ-OE2 2.87Å
537	I	92.5	Very high	92	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.087	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.2	171.4	-61.2	166.7	0	0	0	108.4	D491 F492 R553 K556 S557 F558	D491-I537 HydrophobicContact CB-CG2 4.05Å; F492-I537 CarbonylContact O-C 3.55Å; F492-I537 VanDerWaalsContact O-CA 3.28Å; F492-I537 WeakPolarHBondContact O-CA 3.29Å; I537-R553 HydrophobicContact CB-CB 4.35Å; I537-R553 HydrophobicContact CG2-CB 3.88Å; I537-R553 HydrophobicContact CG2-CG 4.42Å; I537-R553 PolarHBondContact O-N 3.36Å; I537-K556 HydrophobicContact CD1-CB 4.27Å; I537-K556 WeakPolarHBondContact CD1-O 3.4Å; I537-K556 HydrophobicContact CG2-CB 4.31Å; I537-S557 WeakPolarHBondContact CD1-O 3.28Å; I537-F558 VanDerWaalsContact CD1-C 3.42Å
538	I	96.3	Very high	92.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.9	-178.8	64.1	166.3	0	0	0	109.8	D491 F492 L494 L512 M524 Y533 C540 F549 R551	D491-I538 CarbonylContact C-O 3.55Å; D491-I538 VanDerWaalsContact CA-O 3.29Å; D491-I538 WeakPolarHBondContact CA-O 3.42Å; F492-I538 PolarHBondContact N-O 3.03Å; F492-I538 PolarHBondContact O-N 3.47Å; L494-I538 HydrophobicContact CB-CD1 3.79Å; L494-I538 HydrophobicContact CB-CG1 4.02Å; L494-I538 HydrophobicContact CB-CG2 4.39Å; L494-I538 HydrophobicContact CD1-CD1 4.11Å; L494-I538 HydrophobicContact CD2-CD1 4.04Å; L494-I538 HydrophobicContact CG-CD1 4.17Å; L512-I538 HydrophobicContact CD2-CD1 4.25Å; M524-I538 HydrophobicContact SD-CD1 3.95Å; Y533-I538 HydrophobicContact CG-CG2 4.48Å; I538-C540 WeakPolarHBondContact CD1-SG 3.46Å; I538-F549 HydrophobicContact CB-CD2 3.9Å; I538-F549 HydrophobicContact CB-CE2 3.9Å; I538-F549 HydrophobicContact CD1-CD2 4.06Å; I538-F549 HydrophobicContact CG2-CD2 4.01Å; I538-F549 HydrophobicContact CG2-CE2 3.68Å; I538-R551 WeakPolarHBondContact CA-O 3.48Å
539	E	95.7	Very high	92.3	Very high	24 Å²	24	57.2 Å²	57.2	11%	0.112	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.2	169.8	-176	171.6	-177.3	0	0	108.8	S489 I550 R551 R553	S489-E539 VanDerWaalsContact CB-OE1 3.27Å; S489-E539 WeakPolarHBondContact CB-OE1 3.45Å; S489-E539 PolarHBondContact OG-OE1 3.44Å; E539-I550 HydrophobicContact CB-CB 4.44Å; E539-I550 HydrophobicContact CG-CB 4.38Å; E539-I550 HydrophobicContact CG-CD1 4.1Å; E539-I550 WeakPolarHBondContact O-CB 3.24Å; E539-I550 PolarHBondContact O-N 3.16Å; E539-R551 HydrophobicContact CB-CG 4.06Å; E539-R551 PolarHBondContact N-O 2.84Å; E539-R551 IonicContact OE2-CZ 3.58Å; E539-R551 IonicContact OE2-NE 3.69Å; E539-R551 PolarHBondContact OE2-NE 3.25Å; E539-R551 IonicContact OE2-NH2 3.81Å; E539-R551 PolarHBondContact OE2-NH2 2.92Å; E539-R553 HydrophobicContact CB-CG 3.96Å; E539-R553 IonicContact OE2-NH1 2.81Å
540	C	94.6	Very high	92.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.6	179.2	-59	0	0	0	0	111.1	S489 V490 F492 I538 W547 T548	S489-C540 CarbonylContact C-O 3.54Å; S489-C540 WeakPolarHBondContact CA-O 3.25Å; S489-C540 WeakPolarHBondContact CB-O 3.36Å; V490-C540 PolarHBondContact N-O 3.24Å; V490-C540 PolarHBondContact O-N 3.11Å; F492-C540 HydrophobicContact CD2-CB 3.96Å; F492-C540 HydrophobicContact CE2-CB 4.11Å; I538-C540 WeakPolarHBondContact CD1-SG 3.46Å; C540-W547 HydrophobicContact CB-CE3 3.77Å; C540-W547 HydrophobicContact CB-CZ3 4.37Å; C540-T548 VanDerWaalsContact CA-O 3.24Å; C540-T548 WeakPolarHBondContact CA-O 3.31Å
541	S	92.7	Very high	92.4	Very high	19 Å²	19	60 Å²	60	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	175.5	164.9	56.8	0	0	0	0	109.8	N488 W547 T548	N488-S541 WeakPolarHBondContact O-CB 3.46Å; S541-W547 CarbonylContact O-C 3.59Å; S541-W547 WeakPolarHBondContact O-CA 3.49Å; S541-T548 PolarHBondContact N-O 2.98Å; S541-T548 PolarHBondContact O-N 3.07Å
542	V	89.3	Confident	92.5	Very high	43 Å²	43	59.2 Å²	59.2	26%	0.261	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.1	175.2	178	0	0	0	0	109	V546 W547 I572	V542-V546 WeakPolarHBondContact CA-O 3.44Å; V542-W547 HydrophobicContact CG2-CD2 3.74Å; V542-W547 HydrophobicContact CG2-CE3 3.57Å; V542-W547 HydrophobicContact CG2-CG 4.49Å; V542-W547 HydrophobicContact CG2-CH2 3.85Å; V542-W547 HydrophobicContact CG2-CZ2 3.99Å; V542-W547 HydrophobicContact CG2-CZ3 3.63Å; V542-I572 HydrophobicContact CB-CD1 4.17Å; V542-I572 HydrophobicContact CB-CG2 3.74Å; V542-I572 HydrophobicContact CG1-CG2 4.01Å; V542-I572 HydrophobicContact CG2-CD1 3.75Å; V542-I572 HydrophobicContact CG2-CG2 3.96Å
543	V	86.7	Confident	92.1	Very high	71 Å²	71	54.6 Å²	54.6	43%	0.43	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.1	174.2	-177.3	0	0	0	0	106.9	G545 V546 T548	V543-G545 PolarHBondContact O-N 3.23Å; V543-G545 VanDerWaalsContact O-N 3.12Å; V543-V546 PolarHBondContact N-O 3.45Å; V543-V546 PolarHBondContact O-N 3.35Å; V543-V546 VanDerWaalsContact O-O 3.13Å; V543-T548 HydrophobicContact CG2-CG2 4.38Å
544	D	84.6	Confident	91.5	Very high	162 Å²	162	57.7 Å²	57.7	87%	0.866	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.7	-178	-55.8	-38.1	0	0	0	114.2	V546	D544-V546 VanDerWaalsContact C-N 3.28Å; D544-V546 PolarHBondContact O-N 2.98Å
545	G	85.1	Confident	90.4	Very high	71 Å²	71	57.6 Å²	57.6	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	3.7	179.8	0	0	0	0	0	115.1	V543	V543-G545 PolarHBondContact O-N 3.23Å; V543-G545 VanDerWaalsContact O-N 3.12Å
546	V	90.5	Very high	89.4	Confident	65 Å²	65	55.8 Å²	55.8	39%	0.394	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.1	-177.6	-175.1	0	0	0	0	111.1	P525 V542 V543 D544 T548	P525-V546 VanDerWaalsContact CD-CG1 3.4Å; P525-V546 HydrophobicContact CG-CG1 3.73Å; V542-V546 WeakPolarHBondContact CA-O 3.44Å; V543-V546 PolarHBondContact N-O 3.45Å; V543-V546 PolarHBondContact O-N 3.35Å; V543-V546 VanDerWaalsContact O-O 3.13Å; D544-V546 VanDerWaalsContact C-N 3.28Å; D544-V546 PolarHBondContact O-N 2.98Å; V546-T548 PolarHBondContact O-N 3.17Å; V546-T548 PolarHBondContact O-OG1 3.49Å
547	W	93.6	Very high	88.6	Confident	12 Å²	12	57 Å²	57	5%	0.045	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.5	172.6	-71.2	107.3	0	0	0	111.1	V490 F492 L512 F521 D522 M524 C540 S541 V542 I572	V490-W547 HydrophobicContact CB-CH2 4.38Å; V490-W547 HydrophobicContact CB-CZ3 4.38Å; V490-W547 HydrophobicContact CG2-CH2 3.85Å; V490-W547 HydrophobicContact CG2-CZ3 4.18Å; F492-W547 HydrophobicContact CE2-CD2 4.1Å; F492-W547 AromaticContact CE2-CE3 3.85Å; F492-W547 HydrophobicContact CE2-CE3 3.85Å; F492-W547 AromaticContact CE2-CH2 3.97Å; F492-W547 HydrophobicContact CE2-CH2 3.97Å; F492-W547 HydrophobicContact CE2-CZ2 4.22Å; F492-W547 AromaticContact CE2-CZ3 3.78Å; F492-W547 HydrophobicContact CE2-CZ3 3.78Å; F492-W547 AromaticContact CZ-CH2 3.92Å; F492-W547 HydrophobicContact CZ-CH2 3.92Å; F492-W547 AromaticContact CZ-CZ2 3.97Å; F492-W547 HydrophobicContact CZ-CZ2 3.97Å; F492-W547 HydrophobicContact CZ-CZ3 4.22Å; L512-W547 HydrophobicContact CD1-CB 3.66Å; L512-W547 HydrophobicContact CD1-CD2 4Å; L512-W547 HydrophobicContact CD1-CG 3.48Å; L512-W547 VanDerWaalsContact CD1-CG 3.48Å; F521-W547 HydrophobicContact CE1-CZ2 4.28Å; D522-W547 VanDerWaalsContact CG-NE1 3.32Å; D522-W547 PolarHBondContact OD2-NE1 3.05Å; M524-W547 HydrophobicContact CB-CB 3.96Å; C540-W547 HydrophobicContact CB-CE3 3.77Å; C540-W547 HydrophobicContact CB-CZ3 4.37Å; S541-W547 CarbonylContact O-C 3.59Å; S541-W547 WeakPolarHBondContact O-CA 3.49Å; V542-W547 HydrophobicContact CG2-CD2 3.74Å; V542-W547 HydrophobicContact CG2-CE3 3.57Å; V542-W547 HydrophobicContact CG2-CG 4.49Å; V542-W547 HydrophobicContact CG2-CH2 3.85Å; V542-W547 HydrophobicContact CG2-CZ2 3.99Å; V542-W547 HydrophobicContact CG2-CZ3 3.63Å; W547-I572 HydrophobicContact CH2-CD1 4.29Å; W547-I572 HydrophobicContact CZ3-CD1 4.49Å
548	T	93.3	Very high	88.1	Confident	56 Å²	56	63 Å²	63	34%	0.344	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.7	-176.1	-60.9	0	0	0	0	109.6	C540 S541 V543 V546	C540-T548 VanDerWaalsContact CA-O 3.24Å; C540-T548 WeakPolarHBondContact CA-O 3.31Å; S541-T548 PolarHBondContact N-O 2.98Å; S541-T548 PolarHBondContact O-N 3.07Å; V543-T548 HydrophobicContact CG2-CG2 4.38Å; V546-T548 PolarHBondContact O-N 3.17Å; V546-T548 PolarHBondContact O-OG1 3.49Å
549	F	94.8	Very high	87.8	Confident	54 Å²	54	63.8 Å²	63.8	24%	0.237	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.1	178	172	-92.5	0	0	0	111.2	M524 L530 Y533 I538 R551	M524-F549 HydrophobicContact CE-CB 4.2Å; L530-F549 HydrophobicContact CD1-CB 3.79Å; L530-F549 HydrophobicContact CD1-CD2 3.79Å; L530-F549 HydrophobicContact CD1-CG 3.84Å; Y533-F549 HydrophobicContact CD1-CE2 4.27Å; Y533-F549 HydrophobicContact CD1-CZ 4.28Å; Y533-F549 AromaticContact CD2-CE2 3.97Å; Y533-F549 HydrophobicContact CD2-CE2 3.97Å; Y533-F549 HydrophobicContact CD2-CZ 4.02Å; Y533-F549 HydrophobicContact CE1-CE2 4.33Å; Y533-F549 AromaticContact CE1-CZ 3.89Å; Y533-F549 HydrophobicContact CE1-CZ 3.89Å; Y533-F549 HydrophobicContact CE2-CE1 4.01Å; Y533-F549 HydrophobicContact CE2-CE2 4.02Å; Y533-F549 AromaticContact CE2-CZ 3.58Å; Y533-F549 HydrophobicContact CE2-CZ 3.58Å; Y533-F549 HydrophobicContact CG-CE2 4.08Å; Y533-F549 HydrophobicContact CG-CZ 4.33Å; Y533-F549 AromaticContact CZ-CZ 3.49Å; Y533-F549 VanDerWaalsContact CZ-CZ 3.49Å; I538-F549 HydrophobicContact CB-CD2 3.9Å; I538-F549 HydrophobicContact CB-CE2 3.9Å; I538-F549 HydrophobicContact CD1-CD2 4.06Å; I538-F549 HydrophobicContact CG2-CD2 4.01Å; I538-F549 HydrophobicContact CG2-CE2 3.68Å; F549-R551 VanDerWaalsContact CE2-C 3.41Å
550	I	93.1	Very high	87.5	Confident	80 Å²	80	63.8 Å²	63.8	41%	0.41	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-59.4	171	-63.3	169.7	0	0	0	109.8	E539	E539-I550 HydrophobicContact CB-CB 4.44Å; E539-I550 HydrophobicContact CG-CB 4.38Å; E539-I550 HydrophobicContact CG-CD1 4.1Å; E539-I550 WeakPolarHBondContact O-CB 3.24Å; E539-I550 PolarHBondContact O-N 3.16Å
551	R	93.3	Very high	87.2	Confident	102 Å²	102	65.4 Å²	65.4	39%	0.385	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	164.7	-175.2	64.2	-177.7	179.9	108	0.5	112.5	I538 E539 F549 R553	I538-R551 WeakPolarHBondContact CA-O 3.48Å; E539-R551 HydrophobicContact CB-CG 4.06Å; E539-R551 PolarHBondContact N-O 2.84Å; E539-R551 IonicContact OE2-CZ 3.58Å; E539-R551 IonicContact OE2-NE 3.69Å; E539-R551 PolarHBondContact OE2-NE 3.25Å; E539-R551 IonicContact OE2-NH2 3.81Å; E539-R551 PolarHBondContact OE2-NH2 2.92Å; F549-R551 VanDerWaalsContact CE2-C 3.41Å; R551-R553 VanDerWaalsContact NH2-CD 3.29Å
552	E	94.8	Very high	87.1	Confident	54 Å²	54	70.6 Å²	70.6	25%	0.252	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.7	167	-173.7	179	158.7	0	0	110.3	Y533 K536 T554	Y533-E552 HydrophobicContact CD1-CB 3.99Å; Y533-E552 HydrophobicContact CD1-CG 4.22Å; Y533-E552 VanDerWaalsContact CD1-OE2 3.28Å; Y533-E552 WeakPolarHBondContact CD1-OE2 3.45Å; Y533-E552 HydrophobicContact CE1-CB 3.84Å; Y533-E552 HydrophobicContact CE1-CG 4.45Å; Y533-E552 VanDerWaalsContact CE1-OE2 3.23Å; Y533-E552 WeakPolarHBondContact CE1-OE2 3.24Å; K536-E552 HydrophobicContact CD-CG 4.15Å; K536-E552 WeakPolarHBondContact CD-OE1 3.46Å; K536-E552 WeakPolarHBondContact CE-OE1 3.39Å; K536-E552 IonicContact NZ-OE1 3.36Å; K536-E552 PolarHBondContact NZ-OE1 3.39Å; K536-E552 IonicContact NZ-OE2 2.78Å; K536-E552 PolarHBondContact NZ-OE2 2.87Å; E552-T554 HydrophobicContact CG-CG2 3.92Å; E552-T554 WeakPolarHBondContact OE1-CG2 3.42Å
553	R	86.6	Confident	87	Confident	33 Å²	33	73 Å²	73	13%	0.125	39%	0.392	C	S	.	.			trans	-103.6	72.9	176.9	-65.5	-61.9	-59.1	-104.7	13.9	110.7	D491 I537 E539 R551 D555 K556	D491-R553 WeakPolarHBondContact OD1-CG 3.37Å; D491-R553 IonicContact OD1-CZ 3.18Å; D491-R553 IonicContact OD1-NE 3.47Å; D491-R553 IonicContact OD1-NH1 2.84Å; D491-R553 PolarHBondContact OD1-NH1 3.17Å; D491-R553 IonicContact OD2-NH1 3.74Å; D491-R553 PolarHBondContact OD2-NH1 2.89Å; I537-R553 HydrophobicContact CB-CB 4.35Å; I537-R553 HydrophobicContact CG2-CB 3.88Å; I537-R553 HydrophobicContact CG2-CG 4.42Å; I537-R553 PolarHBondContact O-N 3.36Å; E539-R553 HydrophobicContact CB-CG 3.96Å; E539-R553 IonicContact OE2-NH1 2.81Å; R551-R553 VanDerWaalsContact NH2-CD 3.29Å; R553-D555 WeakPolarHBondContact CA-OD1 3.33Å; R553-D555 IonicContact CZ-OD1 2.66Å; R553-D555 IonicContact CZ-OD2 3.78Å; R553-D555 IonicContact NE-OD1 3.44Å; R553-D555 PolarHBondContact NE-OD1 3.43Å; R553-D555 IonicContact NE-OD2 2.76Å; R553-D555 PolarHBondContact NE-OD2 2.78Å; R553-D555 IonicContact NH2-OD1 2.64Å; R553-D555 IonicContact NH2-OD2 3.75Å; R553-D555 PolarHBondContact NH2-OD2 3.29Å; R553-D555 PolarHBondContact O-N 3.43Å; R553-K556 HydrophobicContact CB-CB 4.19Å; R553-K556 HydrophobicContact CB-CG 4.31Å; R553-K556 VanDerWaalsContact NH2-CE 3.33Å; R553-K556 PolarHBondContact O-N 3.2Å; R553-K556 VanDerWaalsContact O-N 3.14Å
554	T	81.7	Confident	87	Confident	105 Å²	105	72.8 Å²	72.8	64%	0.644	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.9	176.7	58.9	0	0	0	0	113.1	E552 K556	E552-T554 HydrophobicContact CG-CG2 3.92Å; E552-T554 WeakPolarHBondContact OE1-CG2 3.42Å; T554-K556 VanDerWaalsContact C-N 3.31Å
555	D	71.7	Confident	87.3	Confident	59 Å²	59	65 Å²	65	32%	0.316	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.6	175.9	63.2	-60.4	0	0	0	113.6	R553	R553-D555 WeakPolarHBondContact CA-OD1 3.33Å; R553-D555 IonicContact CZ-OD1 2.66Å; R553-D555 IonicContact CZ-OD2 3.78Å; R553-D555 IonicContact NE-OD1 3.44Å; R553-D555 PolarHBondContact NE-OD1 3.43Å; R553-D555 IonicContact NE-OD2 2.76Å; R553-D555 PolarHBondContact NE-OD2 2.78Å; R553-D555 IonicContact NH2-OD1 2.64Å; R553-D555 IonicContact NH2-OD2 3.75Å; R553-D555 PolarHBondContact NH2-OD2 3.29Å; R553-D555 PolarHBondContact O-N 3.43Å
556	K	72.3	Confident	87.6	Confident	68 Å²	68	64 Å²	64	30%	0.296	33%	0.331	S	S	.	.			trans	-114.5	134.9	-177.6	-69.1	-164.2	161.6	-174.6	0	111.7	D491 I537 R553 T554	D491-K556 HydrophobicContact CB-CD 4.28Å; D491-K556 IonicContact OD2-NZ 2.84Å; D491-K556 PolarHBondContact OD2-NZ 3.47Å; I537-K556 HydrophobicContact CD1-CB 4.27Å; I537-K556 WeakPolarHBondContact CD1-O 3.4Å; I537-K556 HydrophobicContact CG2-CB 4.31Å; R553-K556 HydrophobicContact CB-CB 4.19Å; R553-K556 HydrophobicContact CB-CG 4.31Å; R553-K556 VanDerWaalsContact NH2-CE 3.33Å; R553-K556 PolarHBondContact O-N 3.2Å; R553-K556 VanDerWaalsContact O-N 3.14Å; T554-K556 VanDerWaalsContact C-N 3.31Å
557	S	76.7	Confident	87.3	Confident	102 Å²	102	62 Å²	62	71%	0.713	32%	0.323	S	S	*	.	S	Bend	trans	-89.4	-20.9	171.6	-50.3	0	0	0	0	113.1	I537	I537-S557 WeakPolarHBondContact CD1-O 3.28Å
558	F	83.8	Confident	87	Confident	142 Å²	142	62 Å²	62	62%	0.623	32%	0.324	S	S	*	.	S	Bend	trans	-136.4	144.8	-174.6	-59.8	-74.5	0	0	0	112.3	L515 I537	L515-F558 HydrophobicContact CD1-CB 3.97Å; L515-F558 HydrophobicContact CD1-CD1 3.98Å; L515-F558 HydrophobicContact CD1-CG 4.25Å; I537-F558 VanDerWaalsContact CD1-C 3.42Å
559	P	89.6	Confident	86.8	Confident	17 Å²	17	64.4 Å²	64.4	11%	0.11	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.6	169.7	171.2	31.1	-36.3	0	0	0	111.4	D491 L493 L515	D491-P559 WeakPolarHBondContact O-CB 3.31Å; L493-P559 HydrophobicContact CB-CB 4.31Å; L493-P559 HydrophobicContact CB-CG 4.17Å; L515-P559 HydrophobicContact CB-CG 4.4Å
560	N	88.6	Confident	86.4	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.134	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64.8	155.4	174.8	-62.7	163.8	0	0	0	111.7	V490 D491 V514 L515 T564	V490-N560 HydrophobicContact CG1-CB 4.15Å; D491-N560 PolarHBondContact N-OD1 3.3Å; D491-N560 PolarHBondContact O-N 3.12Å; D491-N560 PolarHBondContact OD2-ND2 2.63Å; D491-N560 PolarHBondContact OD2-OD1 2.93Å; V514-N560 WeakPolarHBondContact CB-O 3.45Å; L515-N560 PolarHBondContact N-O 3.25Å; N560-T564 HydrophobicContact CB-CG2 4.07Å
561	S	88.5	Confident	86	Confident	34 Å²	34	61.3 Å²	61.3	24%	0.238	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.6	158.6	173.8	86.3	0	0	0	0	111.6	E563 T564 A565	S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 VanDerWaalsContact CB-OE2 3.29Å; S561-E563 WeakPolarHBondContact CB-OE2 3.28Å; S561-E563 PolarHBondContact O-N 3.36Å; S561-E563 PolarHBondContact OG-N 3.37Å; S561-E563 PolarHBondContact OG-OE2 2.92Å; S561-T564 PolarHBondContact O-N 2.96Å; S561-T564 VanDerWaalsContact O-N 3.16Å; S561-T564 PolarHBondContact OG-N 2.77Å; S561-T564 PolarHBondContact OG-OG1 3.05Å; S561-T564 VanDerWaalsContact OG-OG1 3.12Å; S561-A565 PolarHBondContact O-N 3.3Å
562	Y	91.4	Very high	85.6	Confident	128 Å²	128	58 Å²	58	50%	0.502	30%	0.301	S	S	.	.	H	α-helix	trans	-54.9	-42.8	175.8	-179.9	-89.8	0	0	0	112.1	V514 F521 T564 A565 S566	V514-Y562 HydrophobicContact CG2-CD2 4.14Å; F521-Y562 HydrophobicContact CD2-CD2 4Å; F521-Y562 AromaticContact CD2-CE2 3.95Å; F521-Y562 HydrophobicContact CD2-CE2 3.95Å; F521-Y562 HydrophobicContact CE2-CD2 4.3Å; F521-Y562 HydrophobicContact CE2-CE2 4.09Å; Y562-T564 VanDerWaalsContact C-N 3.32Å; Y562-T564 PolarHBondContact O-N 3.07Å; Y562-A565 PolarHBondContact O-N 3.44Å; Y562-S566 WeakPolarHBondContact O-CB 3.5Å; Y562-S566 PolarHBondContact O-N 3.38Å
563	E	87.2	Confident	85.2	Confident	94 Å²	94	63.8 Å²	63.8	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-37.4	-179	-55.9	73.3	-158.8	0	0	111.7	S561 G567	S561-E563 VanDerWaalsContact C-N 3.26Å; S561-E563 VanDerWaalsContact CB-OE2 3.29Å; S561-E563 WeakPolarHBondContact CB-OE2 3.28Å; S561-E563 PolarHBondContact O-N 3.36Å; S561-E563 PolarHBondContact OG-N 3.37Å; S561-E563 PolarHBondContact OG-OE2 2.92Å; E563-G567 PolarHBondContact O-N 3.35Å
564	T	85.9	Confident	85.3	Confident	65 Å²	65	66.8 Å²	66.8	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-48.9	176.8	-56.7	0	0	0	0	110.2	N560 S561 Y562 S566 G567 V568	N560-T564 HydrophobicContact CB-CG2 4.07Å; S561-T564 PolarHBondContact O-N 2.96Å; S561-T564 VanDerWaalsContact O-N 3.16Å; S561-T564 PolarHBondContact OG-N 2.77Å; S561-T564 PolarHBondContact OG-OG1 3.05Å; S561-T564 VanDerWaalsContact OG-OG1 3.12Å; Y562-T564 VanDerWaalsContact C-N 3.32Å; Y562-T564 PolarHBondContact O-N 3.07Å; T564-S566 PolarHBondContact O-N 3.05Å; T564-G567 PolarHBondContact O-N 3.42Å; T564-V568 WeakPolarHBondContact O-CG2 3.37Å; T564-V568 PolarHBondContact O-N 3.28Å
565	A	91.1	Very high	85.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-41.9	178	0	0	0	0	0	112.1	V490 F492 V514 F521 S561 Y562 V568 R569	V490-A565 HydrophobicContact CG1-CB 3.79Å; F492-A565 HydrophobicContact CE1-CB 4.18Å; V514-A565 HydrophobicContact CG1-CB 3.65Å; F521-A565 HydrophobicContact CD1-CB 4.45Å; F521-A565 HydrophobicContact CD2-CB 4.14Å; F521-A565 HydrophobicContact CE1-CB 4.12Å; F521-A565 HydrophobicContact CE2-CB 3.78Å; F521-A565 HydrophobicContact CG-CB 4.46Å; F521-A565 HydrophobicContact CZ-CB 3.77Å; S561-A565 PolarHBondContact O-N 3.3Å; Y562-A565 PolarHBondContact O-N 3.44Å; A565-V568 PolarHBondContact O-N 3.16Å; A565-R569 WeakPolarHBondContact O-CB 3.36Å; A565-R569 PolarHBondContact O-N 3.47Å
566	S	90.3	Very high	86.5	Confident	49 Å²	49	61.6 Å²	61.6	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-44.2	176.9	-173.4	0	0	0	0	112	Y562 T564 V568 R569 K570	Y562-S566 WeakPolarHBondContact O-CB 3.5Å; Y562-S566 PolarHBondContact O-N 3.38Å; T564-S566 PolarHBondContact O-N 3.05Å; S566-V568 PolarHBondContact O-N 2.77Å; S566-R569 PolarHBondContact O-N 2.97Å; S566-K570 WeakPolarHBondContact O-CB 3.29Å; S566-K570 PolarHBondContact O-N 3.27Å
567	G	85.9	Confident	87.3	Confident	22 Å²	22	61.3 Å²	61.3	23%	0.227	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-41.9	175.6	0	0	0	0	0	112.8	E563 T564 S571	E563-G567 PolarHBondContact O-N 3.35Å; T564-G567 PolarHBondContact O-N 3.42Å; G567-S571 PolarHBondContact O-N 3.39Å; G567-S571 PolarHBondContact O-OG 2.87Å
568	V	86.9	Confident	87.7	Confident	12 Å²	12	58.5 Å²	58.5	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-45.6	175.7	175.8	0	0	0	0	111.4	N488 V490 T564 A565 S566 K570 S571 I572	N488-V568 HydrophobicContact CB-CG1 3.97Å; V490-V568 HydrophobicContact CG2-CB 3.53Å; V490-V568 HydrophobicContact CG2-CG1 3.41Å; V490-V568 VanDerWaalsContact CG2-CG1 3.41Å; V490-V568 HydrophobicContact CG2-CG2 4.03Å; T564-V568 WeakPolarHBondContact O-CG2 3.37Å; T564-V568 PolarHBondContact O-N 3.28Å; A565-V568 PolarHBondContact O-N 3.16Å; S566-V568 PolarHBondContact O-N 2.77Å; V568-K570 VanDerWaalsContact C-N 3.27Å; V568-K570 PolarHBondContact O-N 3.5Å; V568-S571 WeakPolarHBondContact O-CB 3.44Å; V568-S571 PolarHBondContact O-N 3.05Å; V568-S571 VanDerWaalsContact O-N 3.07Å; V568-I572 HydrophobicContact CG1-CD1 3.77Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 WeakPolarHBondContact O-CG1 3.42Å; V568-I572 PolarHBondContact O-N 3.47Å
569	R	88.2	Confident	87.8	Confident	108 Å²	108	57.1 Å²	57.1	41%	0.408	28%	0.283	S	S	.	.	H	α-helix	trans	-56.1	-42.5	176.2	-176.9	-179.8	-178.3	172.1	4.5	111.7	F521 A565 S566 I572 R573	F521-R569 HydrophobicContact CE1-CB 4.31Å; F521-R569 HydrophobicContact CZ-CB 4.02Å; F521-R569 HydrophobicContact CZ-CG 4.5Å; A565-R569 WeakPolarHBondContact O-CB 3.36Å; A565-R569 PolarHBondContact O-N 3.47Å; S566-R569 PolarHBondContact O-N 2.97Å; R569-I572 PolarHBondContact O-N 2.82Å; R569-R573 WeakPolarHBondContact O-CB 3.36Å; R569-R573 PolarHBondContact O-N 2.99Å
570	K	86.6	Confident	87.8	Confident	58 Å²	58	59.6 Å²	59.6	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-43.6	175.9	-170.9	-178.9	177	-166	0	111.8	D287 D289 S566 V568 I572 R573 F574	D287-K570 HydrophobicContact CB-CD 4.21Å; D287-K570 IonicContact OD1-NZ 2.63Å; D287-K570 PolarHBondContact OD1-NZ 3.38Å; D287-K570 WeakPolarHBondContact OD2-CD 3.25Å; D287-K570 WeakPolarHBondContact OD2-CE 3.45Å; D287-K570 IonicContact OD2-NZ 3.37Å; D287-K570 PolarHBondContact OD2-NZ 3.38Å; D289-K570 IonicContact OD1-NZ 3.22Å; D289-K570 WeakPolarHBondContact OD2-CE 3.42Å; D289-K570 IonicContact OD2-NZ 2.75Å; D289-K570 PolarHBondContact OD2-NZ 2.83Å; S566-K570 WeakPolarHBondContact O-CB 3.29Å; S566-K570 PolarHBondContact O-N 3.27Å; V568-K570 VanDerWaalsContact C-N 3.27Å; V568-K570 PolarHBondContact O-N 3.5Å; K570-I572 VanDerWaalsContact C-N 3.26Å; K570-I572 PolarHBondContact O-N 3.36Å; K570-R573 PolarHBondContact O-N 3.46Å; K570-F574 HydrophobicContact CG-CD2 4.42Å; K570-F574 PolarHBondContact O-N 3.47Å
571	S	85.4	Confident	87.9	Confident	10 Å²	10	58.6 Å²	58.6	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-30.8	177.4	-53.7	0	0	0	0	112.8	S285 G567 V568 P575	S285-S571 WeakPolarHBondContact CB-OG 3.25Å; G567-S571 PolarHBondContact O-N 3.39Å; G567-S571 PolarHBondContact O-OG 2.87Å; V568-S571 WeakPolarHBondContact O-CB 3.44Å; V568-S571 PolarHBondContact O-N 3.05Å; V568-S571 VanDerWaalsContact O-N 3.07Å; S571-P575 WeakPolarHBondContact O-CA 3.38Å
572	I	85.3	Confident	87.8	Confident	33 Å²	33	58.6 Å²	58.6	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-79.2	-42.5	175.7	-67.5	171.4	0	0	0	111.1	N488 V542 W547 V568 R569 K570 P575	N488-I572 HydrophobicContact CB-CD1 4.07Å; N488-I572 HydrophobicContact CB-CG1 3.89Å; V542-I572 HydrophobicContact CB-CD1 4.17Å; V542-I572 HydrophobicContact CB-CG2 3.74Å; V542-I572 HydrophobicContact CG1-CG2 4.01Å; V542-I572 HydrophobicContact CG2-CD1 3.75Å; V542-I572 HydrophobicContact CG2-CG2 3.96Å; W547-I572 HydrophobicContact CH2-CD1 4.29Å; W547-I572 HydrophobicContact CZ3-CD1 4.49Å; V568-I572 HydrophobicContact CG1-CD1 3.77Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 WeakPolarHBondContact O-CG1 3.42Å; V568-I572 PolarHBondContact O-N 3.47Å; R569-I572 PolarHBondContact O-N 2.82Å; K570-I572 VanDerWaalsContact C-N 3.26Å; K570-I572 PolarHBondContact O-N 3.36Å; I572-P575 WeakPolarHBondContact O-CD 3.42Å
573	R	85.1	Confident	87.7	Confident	176 Å²	176	58.3 Å²	58.3	66%	0.664	29%	0.29	S	S	*	.	H	α-helix	trans	-70.2	-36.3	-177	-173.7	175.4	-178.2	178.5	2	112.9	R569 K570	R569-R573 WeakPolarHBondContact O-CB 3.36Å; R569-R573 PolarHBondContact O-N 2.99Å; K570-R573 PolarHBondContact O-N 3.46Å
574	F	88.1	Confident	87.9	Confident	95 Å²	95	54.7 Å²	54.7	42%	0.417	27%	0.273	S	S	.	.	S	Bend	trans	-126.8	67.8	-179.3	-56.1	-70.1	0	0	0	109.3	R288 K570 I576	R288-F574 HydrophobicContact CG-CB 4.29Å; K570-F574 HydrophobicContact CG-CD2 4.42Å; K570-F574 PolarHBondContact O-N 3.47Å; F574-I576 PolarHBondContact O-N 3.12Å
575	P	88.8	Confident	88	Confident	40 Å²	40	51.6 Å²	51.6	26%	0.26	25%	0.254	S	S	.	.			trans	-61.2	138.9	-174.5	27.9	-33.9	0	0	0	109.9	R288 S571 I572	R288-P575 PolarHBondContact NH2-O 3.31Å; S571-P575 WeakPolarHBondContact O-CA 3.38Å; I572-P575 WeakPolarHBondContact O-CD 3.42Å
576	I	90	Very high	87.7	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.082	28%	0.284	C	S	.	.			trans	-93	108.8	160.3	-67.4	166.2	0	0	0	104.5	L286 D287 R288 I291 W482 F574 D580 L581	L286-I576 HydrophobicContact CD2-CD1 4.08Å; L286-I576 HydrophobicContact CD2-CG2 4.48Å; L286-I576 HydrophobicContact CG-CD1 3.88Å; D287-I576 WeakPolarHBondContact O-CD1 3.42Å; R288-I576 HydrophobicContact CG-CG1 4.21Å; I291-I576 HydrophobicContact CB-CD1 4.38Å; I291-I576 HydrophobicContact CD1-CD1 4.06Å; I291-I576 HydrophobicContact CD1-CG2 4.42Å; W482-I576 PolarHBondContact NE1-O 2.93Å; F574-I576 PolarHBondContact O-N 3.12Å; I576-D580 HydrophobicContact CG2-CB 4.04Å; I576-L581 HydrophobicContact CG2-CB 3.97Å
577	T	89.2	Confident	87.6	Confident	61 Å²	61	58.9 Å²	58.9	37%	0.374	29%	0.291	S	S	.	.			trans	-69.8	167.7	175.1	68	0	0	0	0	110.2	D579 D580 L581	T577-D579 PolarHBondContact O-N 3.31Å; T577-D579 PolarHBondContact OG1-N 2.78Å; T577-D580 WeakPolarHBondContact CB-OD2 3.38Å; T577-D580 WeakPolarHBondContact CG2-OD2 3.48Å; T577-D580 PolarHBondContact N-OD2 2.91Å; T577-D580 PolarHBondContact O-N 2.92Å; T577-D580 PolarHBondContact OG1-N 2.9Å; T577-D580 VanDerWaalsContact OG1-N 3.08Å; T577-D580 PolarHBondContact OG1-OD2 2.8Å; T577-L581 PolarHBondContact O-N 3.28Å; T577-L581 VanDerWaalsContact O-N 3.09Å
578	K	85.3	Confident	87.8	Confident	44 Å²	44	61 Å²	61	19%	0.191	30%	0.296	C	S	.	.	H	α-helix	trans	-53.3	-46.2	170.9	162	175.3	-180	172.4	0	111	E447 F448 W482 L581 I582	E447-K578 VanDerWaalsContact CB-NZ 3.31Å; E447-K578 IonicContact OE1-NZ 2.64Å; E447-K578 IonicContact OE2-NZ 2.69Å; E447-K578 PolarHBondContact OE2-NZ 3.3Å; F448-K578 HydrophobicContact CD2-CD 4.26Å; F448-K578 HydrophobicContact CE2-CD 3.3Å; F448-K578 HydrophobicContact CE2-CG 3.76Å; F448-K578 VanDerWaalsContact CE2-NZ 3.28Å; F448-K578 HydrophobicContact CZ-CB 4.43Å; F448-K578 HydrophobicContact CZ-CD 3.65Å; F448-K578 HydrophobicContact CZ-CG 3.51Å; W482-K578 HydrophobicContact CH2-CB 4.08Å; W482-K578 HydrophobicContact CZ2-CB 4.27Å; K578-L581 PolarHBondContact O-N 2.94Å; K578-I582 HydrophobicContact CG-CD1 3.8Å; K578-I582 VanDerWaalsContact O-CG1 3.31Å; K578-I582 WeakPolarHBondContact O-CG1 3.37Å; K578-I582 PolarHBondContact O-N 2.73Å
579	D	86.9	Confident	87.8	Confident	112 Å²	112	60.9 Å²	60.9	60%	0.599	30%	0.295	S	S	*	.	H	α-helix	trans	-70.2	-38.2	-176.7	-61.7	-38.4	0	0	0	111.7	T577 L581 I582 H583	T577-D579 PolarHBondContact O-N 3.31Å; T577-D579 PolarHBondContact OG1-N 2.78Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.43Å; D579-I582 PolarHBondContact O-N 3.29Å; D579-H583 VanDerWaalsContact O-CB 3.25Å; D579-H583 WeakPolarHBondContact O-CB 3.45Å; D579-H583 PolarHBondContact O-N 3.4Å
580	D	90.2	Very high	87.8	Confident	70 Å²	70	56.6 Å²	56.6	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-45	173.2	-62	-38.5	0	0	0	111.1	I576 T577 H583 F584	I576-D580 HydrophobicContact CG2-CB 4.04Å; T577-D580 WeakPolarHBondContact CB-OD2 3.38Å; T577-D580 WeakPolarHBondContact CG2-OD2 3.48Å; T577-D580 PolarHBondContact N-OD2 2.91Å; T577-D580 PolarHBondContact O-N 2.92Å; T577-D580 PolarHBondContact OG1-N 2.9Å; T577-D580 VanDerWaalsContact OG1-N 3.08Å; T577-D580 PolarHBondContact OG1-OD2 2.8Å; D580-H583 PolarHBondContact O-N 2.92Å; D580-F584 VanDerWaalsContact O-CB 3.31Å; D580-F584 WeakPolarHBondContact O-CB 3.26Å; D580-F584 PolarHBondContact O-N 3.41Å
581	L	89.5	Confident	87.7	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-44.6	179.2	-179.7	58	0	0	0	111.7	L286 I291 L294 V462 W482 I576 T577 K578 D579 H583 F584 V585	L286-L581 HydrophobicContact CD2-CD1 3.79Å; L286-L581 HydrophobicContact CD2-CD2 4.43Å; I291-L581 HydrophobicContact CD1-CD1 4.47Å; L294-L581 HydrophobicContact CD1-CD1 4.27Å; V462-L581 HydrophobicContact CG2-CD2 4.16Å; W482-L581 HydrophobicContact CB-CD2 4.4Å; W482-L581 HydrophobicContact CD2-CD2 4.04Å; W482-L581 HydrophobicContact CE3-CD2 4.44Å; W482-L581 HydrophobicContact CG-CD2 4.03Å; I576-L581 HydrophobicContact CG2-CB 3.97Å; T577-L581 PolarHBondContact O-N 3.28Å; T577-L581 VanDerWaalsContact O-N 3.09Å; K578-L581 PolarHBondContact O-N 2.94Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.43Å; L581-H583 VanDerWaalsContact C-N 3.34Å; L581-F584 PolarHBondContact O-N 2.82Å; L581-V585 HydrophobicContact CD1-CG2 4.12Å; L581-V585 WeakPolarHBondContact O-CB 3.47Å; L581-V585 VanDerWaalsContact O-CG2 3.28Å; L581-V585 WeakPolarHBondContact O-CG2 3.35Å; L581-V585 PolarHBondContact O-N 3.45Å
582	I	86.9	Confident	87.7	Confident	34 Å²	34	56.3 Å²	56.3	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-45.9	177.4	-68.1	166.7	0	0	0	110	I430 F448 K578 D579 V585 K586	I430-I582 HydrophobicContact CG2-CG1 3.8Å; F448-I582 HydrophobicContact CE1-CD1 4.12Å; F448-I582 HydrophobicContact CE1-CG1 4.28Å; F448-I582 HydrophobicContact CZ-CD1 4.3Å; K578-I582 HydrophobicContact CG-CD1 3.8Å; K578-I582 VanDerWaalsContact O-CG1 3.31Å; K578-I582 WeakPolarHBondContact O-CG1 3.37Å; K578-I582 PolarHBondContact O-N 2.73Å; D579-I582 PolarHBondContact O-N 3.29Å; I582-V585 PolarHBondContact O-N 2.6Å; I582-K586 VanDerWaalsContact O-CB 3.32Å; I582-K586 WeakPolarHBondContact O-CB 3.44Å; I582-K586 PolarHBondContact O-N 2.84Å
583	H	89.4	Confident	87.5	Confident	123 Å²	123	62 Å²	62	57%	0.569	30%	0.297	S	S	*	.	H	α-helix	trans	-60.9	-47.4	178	-177.7	77.4	0	0	0	111.3	D579 D580 L581 V585 K586 A587	D579-H583 VanDerWaalsContact O-CB 3.25Å; D579-H583 WeakPolarHBondContact O-CB 3.45Å; D579-H583 PolarHBondContact O-N 3.4Å; D580-H583 PolarHBondContact O-N 2.92Å; L581-H583 VanDerWaalsContact C-N 3.34Å; H583-V585 PolarHBondContact O-N 3.32Å; H583-K586 PolarHBondContact O-N 2.8Å; H583-A587 WeakPolarHBondContact O-CB 3.22Å; H583-A587 PolarHBondContact O-N 3.39Å
584	F	90.8	Very high	87.2	Confident	17 Å²	17	55.4 Å²	55.4	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-47.4	177.9	-168.1	-74.9	0	0	0	111.7	I291 L294 D580 L581 K586 A587 M588 S589	I291-F584 HydrophobicContact CB-CE2 4.49Å; I291-F584 HydrophobicContact CD1-CB 3.83Å; I291-F584 HydrophobicContact CD1-CD1 3.98Å; I291-F584 HydrophobicContact CD1-CD2 3.57Å; I291-F584 HydrophobicContact CD1-CE2 4.18Å; I291-F584 HydrophobicContact CD1-CG 3.49Å; I291-F584 VanDerWaalsContact CD1-CG 3.49Å; I291-F584 HydrophobicContact CG1-CD1 3.79Å; I291-F584 HydrophobicContact CG1-CD2 3.89Å; I291-F584 HydrophobicContact CG1-CE1 3.93Å; I291-F584 HydrophobicContact CG1-CE2 4.03Å; I291-F584 HydrophobicContact CG1-CG 3.81Å; I291-F584 HydrophobicContact CG1-CZ 4.06Å; I291-F584 HydrophobicContact CG2-CD2 4.22Å; I291-F584 HydrophobicContact CG2-CE2 3.8Å; I291-F584 HydrophobicContact CG2-CZ 4.17Å; I291-F584 WeakPolarHBondContact O-CE1 3.44Å; L294-F584 HydrophobicContact CB-CE1 4.09Å; L294-F584 HydrophobicContact CD1-CD1 4.49Å; D580-F584 VanDerWaalsContact O-CB 3.31Å; D580-F584 WeakPolarHBondContact O-CB 3.26Å; D580-F584 PolarHBondContact O-N 3.41Å; L581-F584 PolarHBondContact O-N 2.82Å; F584-K586 VanDerWaalsContact C-N 3.31Å; F584-K586 PolarHBondContact O-N 3.43Å; F584-A587 PolarHBondContact O-N 2.93Å; F584-M588 HydrophobicContact CB-CE 4.22Å; F584-M588 HydrophobicContact CD1-CB 4.21Å; F584-M588 HydrophobicContact CD2-CE 3.15Å; F584-M588 HydrophobicContact CD2-SD 4.13Å; F584-M588 HydrophobicContact CE1-CB 3.97Å; F584-M588 HydrophobicContact CE2-CB 4.3Å; F584-M588 HydrophobicContact CE2-CE 3.48Å; F584-M588 VanDerWaalsContact CE2-CE 3.48Å; F584-M588 HydrophobicContact CE2-SD 3.84Å; F584-M588 HydrophobicContact CG-CB 4.46Å; F584-M588 HydrophobicContact CG-CE 3.82Å; F584-M588 HydrophobicContact CZ-CB 4Å; F584-M588 HydrophobicContact CZ-CE 4.37Å; F584-M588 HydrophobicContact CZ-SD 4.35Å; F584-M588 WeakPolarHBondContact O-CA 3.44Å; F584-M588 PolarHBondContact O-N 2.81Å; F584-S589 PolarHBondContact O-N 2.89Å
585	V	88.2	Confident	86.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-42.3	178.5	169.1	0	0	0	0	111	L294 L427 I430 L581 I582 H583 S589 K591	L294-V585 HydrophobicContact CD1-CG2 4.36Å; L427-V585 HydrophobicContact CB-CG1 3.89Å; L427-V585 WeakPolarHBondContact O-CG1 3.25Å; I430-V585 HydrophobicContact CB-CG1 4.31Å; I430-V585 HydrophobicContact CD1-CG1 4.31Å; I430-V585 HydrophobicContact CD1-CG2 3.99Å; L581-V585 HydrophobicContact CD1-CG2 4.12Å; L581-V585 WeakPolarHBondContact O-CB 3.47Å; L581-V585 VanDerWaalsContact O-CG2 3.28Å; L581-V585 WeakPolarHBondContact O-CG2 3.35Å; L581-V585 PolarHBondContact O-N 3.45Å; I582-V585 PolarHBondContact O-N 2.6Å; H583-V585 PolarHBondContact O-N 3.32Å; V585-S589 WeakPolarHBondContact O-CB 3.41Å; V585-S589 PolarHBondContact O-OG 3.01Å; V585-K591 PolarHBondContact O-NZ 2.91Å
586	K	85.7	Confident	85.7	Confident	142 Å²	142	58.4 Å²	58.4	62%	0.617	30%	0.299	S	S	*	.	H	α-helix	trans	-64.4	-49.1	179.4	-173.5	177	178.3	-178.3	0	111.6	I582 H583 F584 K591	I582-K586 VanDerWaalsContact O-CB 3.32Å; I582-K586 WeakPolarHBondContact O-CB 3.44Å; I582-K586 PolarHBondContact O-N 2.84Å; H583-K586 PolarHBondContact O-N 2.8Å; F584-K586 VanDerWaalsContact C-N 3.31Å; F584-K586 PolarHBondContact O-N 3.43Å; K586-K591 PolarHBondContact O-NZ 3.26Å; K586-K591 VanDerWaalsContact O-NZ 3.14Å
587	A	88.1	Confident	84.6	Confident	61 Å²	61	59.5 Å²	59.5	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-90.1	-33.9	-168.2	0	0	0	0	0	114.7	H583 F584	H583-A587 WeakPolarHBondContact O-CB 3.22Å; H583-A587 PolarHBondContact O-N 3.39Å; F584-A587 PolarHBondContact O-N 2.93Å
588	M	88.8	Confident	83.8	Confident	67 Å²	67	59.2 Å²	59.2	33%	0.33	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-18.6	-165.5	-66.8	-176	-85.5	0	0	114.7	Q295 F584	Q295-M588 WeakPolarHBondContact CA-O 3.28Å; Q295-M588 VanDerWaalsContact CB-O 3.28Å; Q295-M588 WeakPolarHBondContact CB-O 3.42Å; Q295-M588 VanDerWaalsContact CG-O 3.25Å; Q295-M588 WeakPolarHBondContact CG-O 3.2Å; F584-M588 HydrophobicContact CB-CE 4.22Å; F584-M588 HydrophobicContact CD1-CB 4.21Å; F584-M588 HydrophobicContact CD2-CE 3.15Å; F584-M588 HydrophobicContact CD2-SD 4.13Å; F584-M588 HydrophobicContact CE1-CB 3.97Å; F584-M588 HydrophobicContact CE2-CB 4.3Å; F584-M588 HydrophobicContact CE2-CE 3.48Å; F584-M588 VanDerWaalsContact CE2-CE 3.48Å; F584-M588 HydrophobicContact CE2-SD 3.84Å; F584-M588 HydrophobicContact CG-CB 4.46Å; F584-M588 HydrophobicContact CG-CE 3.82Å; F584-M588 HydrophobicContact CZ-CB 4Å; F584-M588 HydrophobicContact CZ-CE 4.37Å; F584-M588 HydrophobicContact CZ-SD 4.35Å; F584-M588 WeakPolarHBondContact O-CA 3.44Å; F584-M588 PolarHBondContact O-N 2.81Å
589	S	87.2	Confident	83.4	Confident	8 Å²	8	60.2 Å²	60.2	6%	0.056	32%	0.32	C	S	.	.	S	Bend	trans	-67.6	149.2	-178.5	71.7	0	0	0	0	113	L294 F584 V585 K591	L294-S589 CarbonylContact O-C 3.49Å; L294-S589 VanDerWaalsContact O-CA 3.32Å; L294-S589 WeakPolarHBondContact O-CA 3.47Å; L294-S589 WeakPolarHBondContact O-CB 3.38Å; F584-S589 PolarHBondContact O-N 2.89Å; V585-S589 WeakPolarHBondContact O-CB 3.41Å; V585-S589 PolarHBondContact O-OG 3.01Å; S589-K591 PolarHBondContact O-N 3.02Å; S589-K591 VanDerWaalsContact O-N 3.15Å
590	L	87.6	Confident	83.1	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.099	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59.4	119.2	175.2	-175.7	68.6	0	0	0	109.5	L294 P298 Y592 F599 A601	L294-L590 PolarHBondContact O-N 2.74Å; P298-L590 HydrophobicContact CB-CD2 4.44Å; L590-Y592 WeakPolarHBondContact O-CD1 3.46Å; L590-F599 HydrophobicContact CD2-CE2 4.26Å; L590-A601 HydrophobicContact CD1-CB 4.14Å
591	K	85.4	Confident	82.6	Confident	47 Å²	47	57.3 Å²	57.3	20%	0.204	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-82.6	125.6	169.8	-54.4	-55.5	-177.3	-177.7	0	108.3	E431 V585 K586 S589 A601 L602	E431-K591 IonicContact OE1-NZ 3.94Å; E431-K591 PolarHBondContact OE1-NZ 3.39Å; V585-K591 PolarHBondContact O-NZ 2.91Å; K586-K591 PolarHBondContact O-NZ 3.26Å; K586-K591 VanDerWaalsContact O-NZ 3.14Å; S589-K591 PolarHBondContact O-N 3.02Å; S589-K591 VanDerWaalsContact O-N 3.15Å; K591-A601 CarbonylContact O-C 3.59Å; K591-L602 HydrophobicContact CB-CB 4.16Å; K591-L602 PolarHBondContact O-N 2.95Å
592	Y	85.8	Confident	82.1	Confident	14 Å²	14	61.8 Å²	61.8	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.8	-178.4	70.4	-84.5	0	0	0	111.2	P298 Y299 M300 L590 L594 F599 V600	P298-Y592 HydrophobicContact CB-CD1 3.59Å; P298-Y592 HydrophobicContact CB-CD2 3.82Å; P298-Y592 HydrophobicContact CB-CE1 3.64Å; P298-Y592 HydrophobicContact CB-CE2 3.86Å; P298-Y592 HydrophobicContact CB-CG 3.7Å; Y299-Y592 VanDerWaalsContact C-OH 3.26Å; Y299-Y592 WeakPolarHBondContact O-CE1 3.43Å; Y299-Y592 PolarHBondContact O-OH 3.41Å; M300-Y592 WeakPolarHBondContact CG-OH 3.35Å; L590-Y592 WeakPolarHBondContact O-CD1 3.46Å; Y592-L594 HydrophobicContact CD2-CD2 4.09Å; Y592-L594 HydrophobicContact CD2-CG 4.2Å; Y592-L594 HydrophobicContact CE2-CD1 4.26Å; Y592-L594 HydrophobicContact CE2-CD2 3.59Å; Y592-L594 HydrophobicContact CE2-CG 3.66Å; Y592-F599 HydrophobicContact CD2-CB 4.24Å; Y592-V600 CarbonylContact C-O 3.51Å; Y592-V600 VanDerWaalsContact CA-O 3.24Å; Y592-V600 WeakPolarHBondContact CA-O 3.44Å
593	R	81.2	Confident	81.1	Confident	154 Å²	154	66.4 Å²	66.4	58%	0.581	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.7	170.1	-178.9	178.7	-69	173.8	0.1	109.1	F599 V600 L602	R593-F599 WeakPolarHBondContact O-CA 3.38Å; R593-V600 PolarHBondContact N-O 2.63Å; R593-V600 PolarHBondContact O-N 3.15Å; R593-L602 HydrophobicContact CB-CD1 4.47Å; R593-L602 HydrophobicContact CB-CD2 4.04Å; R593-L602 HydrophobicContact CB-CG 4.32Å
594	L	77.3	Confident	79.4	Confident	36 Å²	36	65.2 Å²	65.2	19%	0.188	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135.2	174.2	-66.9	169.8	0	0	0	110.9	M300 V467 Y592 F599	M300-L594 HydrophobicContact CE-CD1 4.36Å; M300-L594 HydrophobicContact SD-CD1 4.19Å; V467-L594 HydrophobicContact CG1-CD2 3.81Å; Y592-L594 HydrophobicContact CD2-CD2 4.09Å; Y592-L594 HydrophobicContact CD2-CG 4.2Å; Y592-L594 HydrophobicContact CE2-CD1 4.26Å; Y592-L594 HydrophobicContact CE2-CD2 3.59Å; Y592-L594 HydrophobicContact CE2-CG 3.66Å; L594-F599 HydrophobicContact CD2-CB 4.25Å
595	L	74.7	Confident	77.6	Confident	72 Å²	72	66.9 Å²	66.9	38%	0.377	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	156	168.2	-62.6	-179.6	0	0	0	108.5	G597 S598 V600	L595-G597 PolarHBondContact O-N 3.23Å; L595-S598 CarbonylContact C-O 3.53Å; L595-S598 WeakPolarHBondContact CB-OG 3.07Å; L595-S598 PolarHBondContact N-O 2.91Å; L595-S598 PolarHBondContact O-N 3.4Å; L595-S598 VanDerWaalsContact O-N 3.08Å; L595-V600 HydrophobicContact CD1-CG2 3.49Å; L595-V600 VanDerWaalsContact CD1-CG2 3.49Å; L595-V600 HydrophobicContact CG-CG2 4.23Å
596	P	71.3	Confident	75.7	Confident	126 Å²	126	70.6 Å²	70.6	82%	0.818	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	113.9	173.2	-25	35.1	0	0	0	111.1	S598	P596-S598 VanDerWaalsContact C-N 3.33Å; P596-S598 PolarHBondContact O-N 2.68Å
597	G	67	Low	73.7	Confident	39 Å²	39	67.3 Å²	67.3	40%	0.402	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	3.8	-179.2	0	0	0	0	0	116.2	L595	L595-G597 PolarHBondContact O-N 3.23Å
598	S	72.9	Confident	71.7	Confident	55 Å²	55	69.7 Å²	69.7	39%	0.385	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	177.2	177.9	69.5	0	0	0	0	112.9	L595 P596	L595-S598 CarbonylContact C-O 3.53Å; L595-S598 WeakPolarHBondContact CB-OG 3.07Å; L595-S598 PolarHBondContact N-O 2.91Å; L595-S598 PolarHBondContact O-N 3.4Å; L595-S598 VanDerWaalsContact O-N 3.08Å; P596-S598 VanDerWaalsContact C-N 3.33Å; P596-S598 PolarHBondContact O-N 2.68Å
599	F	77	Confident	69.5	Low	66 Å²	66	73.7 Å²	73.7	29%	0.289	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154	167.2	75.9	-82.5	0	0	0	109	P298 D468 L590 Y592 R593 L594	P298-F599 HydrophobicContact CB-CD2 4.1Å; P298-F599 HydrophobicContact CB-CE2 4.28Å; P298-F599 HydrophobicContact CB-CG 4.36Å; P298-F599 HydrophobicContact CG-CD1 3.95Å; P298-F599 HydrophobicContact CG-CD2 3.89Å; P298-F599 HydrophobicContact CG-CE1 3.83Å; P298-F599 HydrophobicContact CG-CE2 3.76Å; P298-F599 HydrophobicContact CG-CG 3.98Å; P298-F599 HydrophobicContact CG-CZ 3.73Å; D468-F599 HydrophobicContact CB-CD1 4.06Å; D468-F599 HydrophobicContact CB-CE1 3.54Å; D468-F599 HydrophobicContact CB-CZ 4.35Å; L590-F599 HydrophobicContact CD2-CE2 4.26Å; Y592-F599 HydrophobicContact CD2-CB 4.24Å; R593-F599 WeakPolarHBondContact O-CA 3.38Å; L594-F599 HydrophobicContact CD2-CB 4.25Å
600	V	80.3	Confident	67.5	Low	72 Å²	72	80.1 Å²	80.1	44%	0.436	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.3	175.3	179.3	0	0	0	0	107.8	Y592 R593 L595 L602	Y592-V600 CarbonylContact C-O 3.51Å; Y592-V600 VanDerWaalsContact CA-O 3.24Å; Y592-V600 WeakPolarHBondContact CA-O 3.44Å; R593-V600 PolarHBondContact N-O 2.63Å; R593-V600 PolarHBondContact O-N 3.15Å; L595-V600 HydrophobicContact CD1-CG2 3.49Å; L595-V600 VanDerWaalsContact CD1-CG2 3.49Å; L595-V600 HydrophobicContact CG-CG2 4.23Å; V600-L602 PolarHBondContact O-N 3.26Å
601	A	78.7	Confident	65.1	Low	49 Å²	49	85.4 Å²	85.4	41%	0.405	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.7	169.8	0	0	0	0	0	109.1	L590 K591	L590-A601 HydrophobicContact CD1-CB 4.14Å; K591-A601 CarbonylContact O-C 3.59Å
602	L	79	Confident	62.5	Low	96 Å²	96	91.5 Å²	91.5	50%	0.503	57%	0.566	S	S	.	*	S	Bend	trans	-82.7	-25.6	-179.7	-68.2	173.8	0	0	0	111.8	K591 R593 V600	K591-L602 HydrophobicContact CB-CB 4.16Å; K591-L602 PolarHBondContact O-N 2.95Å; R593-L602 HydrophobicContact CB-CD1 4.47Å; R593-L602 HydrophobicContact CB-CD2 4.04Å; R593-L602 HydrophobicContact CB-CG 4.32Å; V600-L602 PolarHBondContact O-N 3.26Å
603	E	67.6	Low	61.3	Low	131 Å²	131	95.4 Å²	95.4	61%	0.612	59%	0.592	S	S	*	*	S	Bend	trans	-138.2	143.9	179.4	-66.6	174.4	178.8	0	0	108.5	A605	E603-A605 PolarHBondContact O-N 3.37Å
604	A	53.7	Low	60.2	Low	98 Å²	98	92.3 Å²	92.3	81%	0.81	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-64.1	128.2	169.2	0	0	0	0	0	107.7
605	A	51.4	Low	59.3	Low	53 Å²	53	95.4 Å²	95.4	44%	0.438	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-49.3	133.4	177.7	0	0	0	0	0	109.2	E603 S607	E603-A605 PolarHBondContact O-N 3.37Å; A605-S607 PolarHBondContact O-N 3.43Å
606	P	48.2	Very low	58.4	Low	77 Å²	77	96.8 Å²	96.8	50%	0.5	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-54.6	123.4	178.3	15.9	-24.9	0	0	0	108.3	Q295 S608	Q295-P606 PolarHBondContact NE2-O 2.75Å; P606-S608 PolarHBondContact O-N 3.22Å
607	S	43.6	Very low	57.6	Low	73 Å²	73	95 Å²	95	51%	0.51	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-57	132.8	178.6	49.1	0	0	0	0	108.5	A605 L609 D610	A605-S607 PolarHBondContact O-N 3.43Å; S607-L609 PolarHBondContact O-N 3.07Å; S607-D610 PolarHBondContact O-N 3.24Å
608	S	48	Very low	57	Low	111 Å²	111	98.7 Å²	98.7	78%	0.776	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	17.6	-178.3	59	0	0	0	0	115	P606	P606-S608 PolarHBondContact O-N 3.22Å
609	L	42.6	Very low	55.8	Low	151 Å²	151	101.9 Å²	101.9	79%	0.791	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-8.8	-178.2	-83.7	151.5	0	0	0	113.3	S607	S607-L609 PolarHBondContact O-N 3.07Å
610	D	44.5	Very low	54.2	Low	143 Å²	143	104.6 Å²	104.6	77%	0.765	68%	0.677	S	S	*	*	S	Bend	trans	-99.2	12.5	-177.4	-80.8	-25.4	0	0	0	115.1	S607	S607-D610 PolarHBondContact O-N 3.24Å
611	T	36.2	Very low	52	Low	130 Å²	130	107.3 Å²	107.3	80%	0.798	70%	0.697	S	S	*	*			trans	-125.4	87.2	171.3	53.1	0	0	0	0	110.4
612	A	30.9	Very low	49.6	Very low	176 Å²	176	112.6 Å²	112.6	100%	1.455	72%	0.723	S	S	*	*			trans	-105.9	0	158.4	0	0	0	0	0	109.1

Retrieved 612 of 612 residues in 1202.7 ms (Link to these results)

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