A0A077Z9M1_TRITR Loading...

BTB

Auxiliary subunit of GABA-B receptors that determine the pharmacology and kinetics of the receptor response. Increases agonist potency and markedly alter the G-protein signaling of the receptors by accelerating onset and promoting desensitization.

AlphaFold DB , UniProt , Accession A0A077Z9M1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 573 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	43.3	Very low	68.3	Low	245 Å²	245	110.4 Å²	110.4	100%	1.207	55%	0.552	S	S	*	*				0	112.6	0	-86.2	173	153.4	0	0	106.7
2	I	53.1	Low	70.2	Confident	84 Å²	84	109.3 Å²	109.3	43%	0.431	54%	0.544	S	S	.	.			trans	-68	131.6	172.2	-60.4	169.1	0	0	0	106.2	Q4 V6 L40	I2-Q4 PolarHBondContact O-N 2.69Å; I2-V6 HydrophobicContact CG2-CB 3.81Å; I2-V6 HydrophobicContact CG2-CG1 3.86Å; I2-L40 HydrophobicContact CD1-CD2 3.62Å
3	D	56.3	Low	71.8	Confident	120 Å²	120	101.3 Å²	101.3	64%	0.642	50%	0.504	S	S	*	.			trans	-53.9	135.6	179.8	-154	-12	0	0	0	109.9	N5 V6 S7	D3-N5 PolarHBondContact O-N 3.35Å; D3-V6 HydrophobicContact CB-CG2 4.14Å; D3-V6 PolarHBondContact O-N 3.29Å; D3-S7 PolarHBondContact O-N 3.32Å
4	Q	55.6	Low	73.2	Confident	166 Å²	166	94.9 Å²	94.9	78%	0.776	47%	0.473	S	S	*	.	H	α-helix	trans	-57.7	-32	-170.1	-80.9	-173.7	-12.8	0	0	111.9	I2 S7	I2-Q4 PolarHBondContact O-N 2.69Å; Q4-S7 PolarHBondContact O-N 3.34Å; Q4-S7 PolarHBondContact O-OG 3.2Å
5	N	59.6	Low	74.5	Confident	143 Å²	143	88.6 Å²	88.6	77%	0.765	44%	0.441	S	S	*	.	H	α-helix	trans	-66.6	-34.9	175.1	-101.3	-22.1	0	0	0	113.9	D3	D3-N5 PolarHBondContact O-N 3.35Å
6	V	69.2	Low	75.6	Confident	58 Å²	58	83.6 Å²	83.6	35%	0.352	42%	0.419	S	S	.	.	H	α-helix	trans	-73.8	-34.4	179.4	178.8	0	0	0	0	110.5	I2 D3 Q8 R9 L24	I2-V6 HydrophobicContact CG2-CB 3.81Å; I2-V6 HydrophobicContact CG2-CG1 3.86Å; D3-V6 HydrophobicContact CB-CG2 4.14Å; D3-V6 PolarHBondContact O-N 3.29Å; V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 3.1Å; V6-R9 VanDerWaalsContact O-CB 3.31Å; V6-R9 WeakPolarHBondContact O-CB 3.3Å; V6-R9 PolarHBondContact O-N 3.42Å; V6-R9 VanDerWaalsContact O-N 3.17Å; V6-L24 HydrophobicContact CG1-CD2 3.85Å
7	S	72.4	Confident	76.4	Confident	32 Å²	32	79.2 Å²	79.2	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-29.9	-179.9	76.5	0	0	0	0	113.7	D3 Q4 A25	D3-S7 PolarHBondContact O-N 3.32Å; Q4-S7 PolarHBondContact O-N 3.34Å; Q4-S7 PolarHBondContact O-OG 3.2Å; S7-A25 WeakPolarHBondContact O-CB 3.28Å; S7-A25 PolarHBondContact O-N 3.31Å
8	Q	78.4	Confident	77.2	Confident	153 Å²	153	79.4 Å²	79.4	72%	0.715	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-0	179.2	-65.7	-118.6	-52	0	0	113.4	V6 I10	V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 3.1Å; Q8-I10 PolarHBondContact O-N 3.05Å
9	R	83.7	Confident	78	Confident	95 Å²	95	81.8 Å²	81.8	36%	0.358	41%	0.407	S	S	.	.			trans	-59.5	129.3	179.4	-164.3	-176.4	88.9	179.8	-0.2	110.3	V6 I11 T23 L24 E43 Y70	V6-R9 VanDerWaalsContact O-CB 3.31Å; V6-R9 WeakPolarHBondContact O-CB 3.3Å; V6-R9 PolarHBondContact O-N 3.42Å; V6-R9 VanDerWaalsContact O-N 3.17Å; R9-I11 PolarHBondContact O-N 3.18Å; R9-T23 WeakPolarHBondContact O-CA 3.38Å; R9-L24 PolarHBondContact O-N 3.17Å; R9-E43 IonicContact CZ-OE1 3.4Å; R9-E43 IonicContact CZ-OE2 3.66Å; R9-E43 VanDerWaalsContact NH1-CD 3.33Å; R9-E43 IonicContact NH1-OE1 2.71Å; R9-E43 PolarHBondContact NH1-OE1 3.21Å; R9-E43 IonicContact NH1-OE2 3.19Å; R9-E43 PolarHBondContact NH1-OE2 2.98Å; R9-E43 IonicContact NH2-OE1 2.87Å; R9-E43 PolarHBondContact NH2-OE1 3.42Å; R9-E43 IonicContact NH2-OE2 3.03Å; R9-E43 PolarHBondContact NH2-OE2 2.78Å; R9-Y70 PolarHBondContact NH2-OH 2.94Å
10	I	89.3	Confident	78.8	Confident	116 Å²	116	79.7 Å²	79.7	60%	0.595	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.9	172.9	-60.9	175.4	0	0	0	108.2	Q8 Q21 T22	Q8-I10 PolarHBondContact O-N 3.05Å; I10-Q21 HydrophobicContact CG2-CB 4.39Å; I10-T22 CarbonylContact C-O 3.52Å; I10-T22 WeakPolarHBondContact CA-O 3.05Å
11	I	90.2	Very high	79.5	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.9	174.7	-68.7	-166.1	0	0	0	108.3	R9 L13 Q21 T22 L24 L27 Y70	R9-I11 PolarHBondContact O-N 3.18Å; I11-L13 HydrophobicContact CG2-CD2 3.74Å; I11-L13 HydrophobicContact CG2-CG 4.06Å; I11-Q21 WeakPolarHBondContact O-CA 3.22Å; I11-T22 PolarHBondContact N-O 3.25Å; I11-T22 PolarHBondContact O-N 3.17Å; I11-L24 HydrophobicContact CD1-CB 3.86Å; I11-L24 HydrophobicContact CD1-CD1 3.66Å; I11-L24 HydrophobicContact CD1-CG 4.34Å; I11-L24 HydrophobicContact CG1-CB 4.49Å; I11-L27 HydrophobicContact CB-CD1 4.22Å; I11-L27 HydrophobicContact CD1-CD1 4.36Å; I11-L27 HydrophobicContact CG2-CD1 3.93Å; I11-Y70 HydrophobicContact CD1-CE2 4.13Å; I11-Y70 HydrophobicContact CG1-CE2 4.48Å; I11-Y70 HydrophobicContact CG2-CD2 3.51Å; I11-Y70 HydrophobicContact CG2-CE2 3.55Å
12	E	91.2	Very high	81.9	Confident	98 Å²	98	70.4 Å²	70.4	46%	0.458	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.4	171.8	-51.4	-161.4	145.2	0	0	109.8	Y20 Q21 S69 Y70	E12-Y20 WeakPolarHBondContact CA-O 3.29Å; E12-Q21 HydrophobicContact CG-CG 4.18Å; E12-Q21 PolarHBondContact OE1-NE2 3.4Å; E12-S69 WeakPolarHBondContact O-CA 3.42Å; E12-Y70 PolarHBondContact O-N 2.95Å
13	L	91.8	Very high	83.8	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.9	178.8	-56	169.2	0	0	0	109.1	I11 V15 K19 Y20 T22 L27 Y70 F79	I11-L13 HydrophobicContact CG2-CD2 3.74Å; I11-L13 HydrophobicContact CG2-CG 4.06Å; L13-V15 HydrophobicContact CB-CG2 4.26Å; L13-K19 CarbonylContact O-C 3.59Å; L13-K19 WeakPolarHBondContact O-CA 3.49Å; L13-Y20 PolarHBondContact N-O 2.92Å; L13-Y20 PolarHBondContact O-N 3.15Å; L13-T22 HydrophobicContact CD1-CG2 4.14Å; L13-L27 HydrophobicContact CD1-CD1 3.87Å; L13-L27 HydrophobicContact CD1-CD2 3.85Å; L13-L27 HydrophobicContact CD1-CG 4.5Å; L13-L27 HydrophobicContact CD2-CD1 4.21Å; L13-L27 HydrophobicContact CG-CD1 4.38Å; L13-Y70 CarbonylContact C-O 3.53Å; L13-Y70 WeakPolarHBondContact CA-O 3.47Å; L13-Y70 HydrophobicContact CD2-CD2 3.99Å; L13-Y70 HydrophobicContact CD2-CG 4.34Å; L13-F79 HydrophobicContact CD1-CE1 4.04Å; L13-F79 HydrophobicContact CD1-CZ 4.12Å
14	N	90.7	Very high	85.4	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.064	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.3	163.9	-179	-18.5	0	0	0	107.7	G17 E18 Y70 F71 I72 F370	N14-G17 VanDerWaalsContact OD1-CA 3.23Å; N14-G17 WeakPolarHBondContact OD1-CA 3.46Å; N14-G17 PolarHBondContact OD1-N 3.42Å; N14-E18 CarbonylContact C-O 3.53Å; N14-E18 WeakPolarHBondContact CA-O 3.41Å; N14-Y70 PolarHBondContact N-O 2.76Å; N14-F71 HydrophobicContact CB-CD2 4.08Å; N14-F71 CarbonylContact O-C 3.58Å; N14-F71 VanDerWaalsContact O-CA 3.27Å; N14-F71 WeakPolarHBondContact O-CA 3Å; N14-F71 VanDerWaalsContact O-CD2 3.25Å; N14-F71 WeakPolarHBondContact O-CD2 3.35Å; N14-I72 PolarHBondContact O-N 2.94Å; N14-F370 WeakPolarHBondContact ND2-CD1 3.25Å
15	V	93.5	Very high	87.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	100.1	-179.5	-171.6	0	0	0	0	108.5	L13 G17 E18 Y20 I72 R74 G76 F79	L13-V15 HydrophobicContact CB-CG2 4.26Å; V15-G17 PolarHBondContact O-N 2.85Å; V15-E18 PolarHBondContact N-O 3.4Å; V15-E18 PolarHBondContact O-N 3.1Å; V15-Y20 HydrophobicContact CB-CD2 4.35Å; V15-Y20 HydrophobicContact CB-CE2 4.4Å; V15-Y20 HydrophobicContact CG2-CD2 4.09Å; V15-I72 CarbonylContact C-O 3.6Å; V15-I72 WeakPolarHBondContact CA-O 3.2Å; V15-I72 HydrophobicContact CG1-CB 4.23Å; V15-I72 HydrophobicContact CG1-CG2 4.49Å; V15-I72 HydrophobicContact CG2-CB 4.2Å; V15-I72 HydrophobicContact CG2-CD1 4.19Å; V15-I72 HydrophobicContact CG2-CG1 4.38Å; V15-R74 HydrophobicContact CG1-CB 3.89Å; V15-G76 WeakPolarHBondContact O-CA 3.39Å; V15-F79 HydrophobicContact CB-CB 4.32Å; V15-F79 HydrophobicContact CB-CD1 4.23Å; V15-F79 HydrophobicContact CB-CG 4.21Å; V15-F79 HydrophobicContact CG1-CB 3.8Å; V15-F79 HydrophobicContact CG1-CD1 4.39Å; V15-F79 HydrophobicContact CG1-CD2 4.21Å; V15-F79 HydrophobicContact CG1-CG 3.88Å; V15-F79 HydrophobicContact CG2-CD1 3.63Å; V15-F79 HydrophobicContact CG2-CD2 4.39Å; V15-F79 HydrophobicContact CG2-CE1 3.81Å; V15-F79 HydrophobicContact CG2-CG 3.94Å; V15-F79 HydrophobicContact CG2-CZ 4.26Å
16	G	91.3	Very high	88.8	Confident	8 Å²	8	50.8 Å²	50.8	8%	0.082	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	23.1	179.1	0	0	0	0	0	115.8	I72 R74 V333	G16-I72 PolarHBondContact N-O 2.64Å; G16-R74 VanDerWaalsContact CA-O 3.24Å; G16-R74 WeakPolarHBondContact CA-O 3.09Å; G16-R74 PolarHBondContact N-O 3.46Å; G16-V333 CarbonylContact C-O 3.53Å; G16-V333 WeakPolarHBondContact CA-O 3.22Å; G16-V333 PolarHBondContact O-N 3.45Å
17	G	88.9	Confident	89.9	Confident	10 Å²	10	48 Å²	48	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.7	-11.2	-174.9	0	0	0	0	0	114.1	N14 V15 F370	N14-G17 VanDerWaalsContact OD1-CA 3.23Å; N14-G17 WeakPolarHBondContact OD1-CA 3.46Å; N14-G17 PolarHBondContact OD1-N 3.42Å; V15-G17 PolarHBondContact O-N 2.85Å; G17-F370 WeakPolarHBondContact O-CE1 3.26Å; G17-F370 WeakPolarHBondContact O-CZ 3.15Å
18	E	91.9	Very high	90.9	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.3	175	-66.5	-66.1	164.5	0	0	110.8	N14 V15 Y20	N14-E18 CarbonylContact C-O 3.53Å; N14-E18 WeakPolarHBondContact CA-O 3.41Å; V15-E18 PolarHBondContact N-O 3.4Å; V15-E18 PolarHBondContact O-N 3.1Å; E18-Y20 HydrophobicContact CB-CD2 4.31Å; E18-Y20 HydrophobicContact CB-CE2 3.62Å
19	K	91.2	Very high	91.5	Very high	126 Å²	126	46.2 Å²	46.2	55%	0.548	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.7	179.6	-65.5	179.3	-173	169.9	0	110.4	L13 A369 F370	L13-K19 CarbonylContact O-C 3.59Å; L13-K19 WeakPolarHBondContact O-CA 3.49Å; K19-A369 WeakPolarHBondContact CE-O 3.46Å; K19-A369 PolarHBondContact NZ-O 2.89Å; K19-F370 HydrophobicContact CD-CD1 4.44Å; K19-F370 HydrophobicContact CD-CE1 4.46Å; K19-F370 HydrophobicContact CG-CD1 4.29Å; K19-F370 HydrophobicContact CG-CE1 4.14Å
20	Y	94.2	Very high	91.8	Very high	39 Å²	39	43.3 Å²	43.3	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.6	175	-70.5	-84.8	0	0	0	110.9	E12 L13 V15 E18 G76 F79 R80 L83	E12-Y20 WeakPolarHBondContact CA-O 3.29Å; L13-Y20 PolarHBondContact N-O 2.92Å; L13-Y20 PolarHBondContact O-N 3.15Å; V15-Y20 HydrophobicContact CB-CD2 4.35Å; V15-Y20 HydrophobicContact CB-CE2 4.4Å; V15-Y20 HydrophobicContact CG2-CD2 4.09Å; E18-Y20 HydrophobicContact CB-CD2 4.31Å; E18-Y20 HydrophobicContact CB-CE2 3.62Å; Y20-G76 WeakPolarHBondContact CE2-O 3.47Å; Y20-G76 VanDerWaalsContact CZ-O 3.32Å; Y20-G76 PolarHBondContact OH-O 3.2Å; Y20-F79 AromaticContact CD2-CD1 3.78Å; Y20-F79 HydrophobicContact CD2-CD1 3.78Å; Y20-F79 HydrophobicContact CD2-CE1 4.29Å; Y20-F79 HydrophobicContact CE2-CB 4.38Å; Y20-F79 AromaticContact CE2-CD1 3.77Å; Y20-F79 HydrophobicContact CE2-CD1 3.77Å; Y20-F79 HydrophobicContact CG-CD1 4.17Å; Y20-F79 HydrophobicContact CG-CE1 4.37Å; Y20-R80 HydrophobicContact CE1-CB 4.32Å; Y20-R80 WeakPolarHBondContact OH-CB 3.47Å; Y20-R80 PolarHBondContact OH-N 3.32Å; Y20-L83 HydrophobicContact CD1-CD2 3.69Å; Y20-L83 HydrophobicContact CE1-CD2 4.35Å; Y20-L83 HydrophobicContact CG-CD2 4.31Å
21	Q	93.5	Very high	91.8	Very high	119 Å²	119	41.8 Å²	41.8	56%	0.556	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.3	167.7	-72.2	-179.1	-20.9	0	0	109	I10 I11 E12	I10-Q21 HydrophobicContact CG2-CB 4.39Å; I11-Q21 WeakPolarHBondContact O-CA 3.22Å; E12-Q21 HydrophobicContact CG-CG 4.18Å; E12-Q21 PolarHBondContact OE1-NE2 3.4Å
22	T	94.3	Very high	91.6	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-172.7	179	-167.1	0	0	0	0	110.1	I10 I11 L13 T26 L27 L83	I10-T22 CarbonylContact C-O 3.52Å; I10-T22 WeakPolarHBondContact CA-O 3.05Å; I11-T22 PolarHBondContact N-O 3.25Å; I11-T22 PolarHBondContact O-N 3.17Å; L13-T22 HydrophobicContact CD1-CG2 4.14Å; T22-T26 WeakPolarHBondContact OG1-CB 2.94Å; T22-L27 HydrophobicContact CG2-CD1 3.59Å; T22-L27 HydrophobicContact CG2-CD2 3.78Å; T22-L27 HydrophobicContact CG2-CG 3.56Å; T22-L83 HydrophobicContact CG2-CD1 4.01Å
23	T	92.4	Very high	91.7	Very high	38 Å²	38	41 Å²	41	23%	0.233	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	153.9	176.4	59.7	0	0	0	0	112.1	R9 A25 T26 L27	R9-T23 WeakPolarHBondContact O-CA 3.38Å; T23-A25 PolarHBondContact O-N 3.44Å; T23-T26 WeakPolarHBondContact O-CB 3.25Å; T23-T26 PolarHBondContact O-N 3.3Å; T23-T26 PolarHBondContact OG1-N 2.92Å; T23-T26 PolarHBondContact OG1-OG1 2.81Å; T23-L27 PolarHBondContact O-N 3.4Å
24	L	90.1	Very high	91.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-53.5	-44.6	170.9	-177	66.6	0	0	0	110.9	V6 R9 I11 T26 L27 T28 L39 E43	V6-L24 HydrophobicContact CG1-CD2 3.85Å; R9-L24 PolarHBondContact O-N 3.17Å; I11-L24 HydrophobicContact CD1-CB 3.86Å; I11-L24 HydrophobicContact CD1-CD1 3.66Å; I11-L24 HydrophobicContact CD1-CG 4.34Å; I11-L24 HydrophobicContact CG1-CB 4.49Å; L24-T26 PolarHBondContact O-N 3.3Å; L24-T26 VanDerWaalsContact O-N 3.16Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-L27 VanDerWaalsContact O-N 3.08Å; L24-T28 HydrophobicContact CD1-CG2 3.69Å; L24-T28 HydrophobicContact CG-CG2 4Å; L24-T28 WeakPolarHBondContact O-CG2 3.39Å; L24-T28 PolarHBondContact O-N 3.31Å; L24-T28 PolarHBondContact O-OG1 3.02Å; L24-T28 VanDerWaalsContact O-OG1 3.04Å; L24-L39 HydrophobicContact CD1-CB 4.2Å; L24-E43 HydrophobicContact CD1-CG 4.41Å
25	A	92.3	Very high	91.6	Very high	40 Å²	40	41.2 Å²	41.2	33%	0.331	22%	0.22	S	C	.	.	H	α-helix	trans	-55.2	-34.5	177.6	0	0	0	0	0	114	S7 T23 K29	S7-A25 WeakPolarHBondContact O-CB 3.28Å; S7-A25 PolarHBondContact O-N 3.31Å; T23-A25 PolarHBondContact O-N 3.44Å; A25-K29 PolarHBondContact O-N 2.71Å
26	T	94.3	Very high	91.5	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-46.3	177.4	-57.8	0	0	0	0	110.8	T22 T23 L24 T28 K29 L83 L86 R87	T22-T26 WeakPolarHBondContact OG1-CB 2.94Å; T23-T26 WeakPolarHBondContact O-CB 3.25Å; T23-T26 PolarHBondContact O-N 3.3Å; T23-T26 PolarHBondContact OG1-N 2.92Å; T23-T26 PolarHBondContact OG1-OG1 2.81Å; L24-T26 PolarHBondContact O-N 3.3Å; L24-T26 VanDerWaalsContact O-N 3.16Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.12Å; T26-K29 WeakPolarHBondContact O-CB 3.46Å; T26-K29 PolarHBondContact O-N 3Å; T26-L83 HydrophobicContact CG2-CD1 4.07Å; T26-L86 HydrophobicContact CG2-CB 4.13Å; T26-R87 HydrophobicContact CG2-CB 4.46Å; T26-R87 HydrophobicContact CG2-CG 3.53Å
27	L	93.2	Very high	91.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.3	-25.4	-177.7	-62.7	171.2	0	0	0	112.7	I11 L13 T22 T23 L24 L35 S36 L39 L83	I11-L27 HydrophobicContact CB-CD1 4.22Å; I11-L27 HydrophobicContact CD1-CD1 4.36Å; I11-L27 HydrophobicContact CG2-CD1 3.93Å; L13-L27 HydrophobicContact CD1-CD1 3.87Å; L13-L27 HydrophobicContact CD1-CD2 3.85Å; L13-L27 HydrophobicContact CD1-CG 4.5Å; L13-L27 HydrophobicContact CD2-CD1 4.21Å; L13-L27 HydrophobicContact CG-CD1 4.38Å; T22-L27 HydrophobicContact CG2-CD1 3.59Å; T22-L27 HydrophobicContact CG2-CD2 3.78Å; T22-L27 HydrophobicContact CG2-CG 3.56Å; T23-L27 PolarHBondContact O-N 3.4Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-L27 VanDerWaalsContact O-N 3.08Å; L27-L35 HydrophobicContact CD2-CD1 4.1Å; L27-S36 PolarHBondContact O-N 3.3Å; L27-L39 HydrophobicContact CB-CD1 3.69Å; L27-L39 HydrophobicContact CD1-CD1 3.47Å; L27-L39 VanDerWaalsContact CD1-CD1 3.47Å; L27-L39 HydrophobicContact CG-CD1 4.15Å; L27-L83 HydrophobicContact CD2-CD1 4.15Å
28	T	91.7	Very high	91.3	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.147	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	9.3	177.8	67.4	0	0	0	0	113.4	L24 T26 D30 L40	L24-T28 HydrophobicContact CD1-CG2 3.69Å; L24-T28 HydrophobicContact CG-CG2 4Å; L24-T28 WeakPolarHBondContact O-CG2 3.39Å; L24-T28 PolarHBondContact O-N 3.31Å; L24-T28 PolarHBondContact O-OG1 3.02Å; L24-T28 VanDerWaalsContact O-OG1 3.04Å; T26-T28 VanDerWaalsContact C-N 3.27Å; T26-T28 PolarHBondContact O-N 3.12Å; T28-D30 VanDerWaalsContact C-N 3.34Å; T28-D30 PolarHBondContact O-N 2.92Å; T28-L40 HydrophobicContact CG2-CD1 4.26Å; T28-L40 HydrophobicContact CG2-CD2 3.84Å; T28-L40 HydrophobicContact CG2-CG 3.79Å
29	K	91.6	Very high	91	Very high	122 Å²	122	44 Å²	44	53%	0.53	22%	0.224	S	C	.	.	S	Bend	trans	-66	-38.9	-175.4	-163.4	-176.2	-173.3	-173.9	0	112.1	A25 T26 L86 R87	A25-K29 PolarHBondContact O-N 2.71Å; T26-K29 WeakPolarHBondContact O-CB 3.46Å; T26-K29 PolarHBondContact O-N 3Å; K29-L86 WeakPolarHBondContact CD-O 3.43Å; K29-R87 PolarHBondContact NZ-O 2.84Å
30	D	90.8	Very high	90.7	Very high	35 Å²	35	40.8 Å²	40.8	19%	0.187	21%	0.212	C	C	.	.	S	Bend	trans	-95.6	105.8	169.4	-174.7	-17.8	0	0	0	108.9	T28 N32 S33 S36 L86	T28-D30 VanDerWaalsContact C-N 3.34Å; T28-D30 PolarHBondContact O-N 2.92Å; D30-N32 PolarHBondContact O-N 3.15Å; D30-N32 WeakPolarHBondContact OD1-CB 3.43Å; D30-N32 PolarHBondContact OD1-N 3.44Å; D30-S33 WeakPolarHBondContact O-CB 3.31Å; D30-S33 PolarHBondContact O-N 3.08Å; D30-S33 VanDerWaalsContact O-N 3.07Å; D30-S33 PolarHBondContact O-OG 3.5Å; D30-S33 PolarHBondContact OD1-N 2.73Å; D30-S36 WeakPolarHBondContact O-CB 3.32Å; D30-L86 HydrophobicContact CB-CD2 3.98Å
31	S	89	Confident	90.2	Very high	83 Å²	83	42.1 Å²	42.1	58%	0.58	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.8	-178.8	55.7	0	0	0	0	113.5
32	N	86.5	Confident	89.5	Confident	85 Å²	85	39.8 Å²	39.8	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.6	179.7	-65.5	-13.9	0	0	0	112.4	D30 R37 N111	D30-N32 PolarHBondContact O-N 3.15Å; D30-N32 WeakPolarHBondContact OD1-CB 3.43Å; D30-N32 PolarHBondContact OD1-N 3.44Å; N32-R37 VanDerWaalsContact C-NH1 3.35Å; N32-R37 PolarHBondContact O-NH1 2.59Å; N32-N111 PolarHBondContact O-ND2 3.42Å
33	S	92.1	Very high	88.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-70.2	150	175.1	69.7	0	0	0	0	112	D30 L35 S36 R37 F110 N111	D30-S33 WeakPolarHBondContact O-CB 3.31Å; D30-S33 PolarHBondContact O-N 3.08Å; D30-S33 VanDerWaalsContact O-N 3.07Å; D30-S33 PolarHBondContact O-OG 3.5Å; D30-S33 PolarHBondContact OD1-N 2.73Å; S33-L35 PolarHBondContact O-N 2.94Å; S33-S36 PolarHBondContact O-N 3.43Å; S33-S36 VanDerWaalsContact OG-CB 3.28Å; S33-S36 WeakPolarHBondContact OG-CB 3.5Å; S33-S36 PolarHBondContact OG-N 2.72Å; S33-S36 VanDerWaalsContact OG-N 3.1Å; S33-R37 PolarHBondContact O-N 3.39Å; S33-F110 CarbonylContact C-O 3.53Å; S33-F110 WeakPolarHBondContact CA-O 3.37Å; S33-N111 WeakPolarHBondContact CA-O 3.39Å
34	V	90.1	Very high	87.6	Confident	20 Å²	20	43.6 Å²	43.6	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-40.3	171.8	172.2	0	0	0	0	110.7	S36 R37 Q38 V61 F109 F110 N111	V34-S36 PolarHBondContact O-N 2.78Å; V34-R37 PolarHBondContact O-N 3Å; V34-Q38 HydrophobicContact CG1-CG 4.35Å; V34-Q38 WeakPolarHBondContact O-CB 3.36Å; V34-Q38 PolarHBondContact O-N 2.94Å; V34-V61 HydrophobicContact CG1-CG2 3.52Å; V34-F109 WeakPolarHBondContact CG2-O 3.49Å; V34-F110 PolarHBondContact N-O 3.02Å; V34-N111 HydrophobicContact CG2-CB 4.01Å
35	L	91.5	Very high	86.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-49.3	178.6	-64.4	171.6	0	0	0	111.2	L27 S33 L39 I62 I72 F79 L86 F110	L27-L35 HydrophobicContact CD2-CD1 4.1Å; S33-L35 PolarHBondContact O-N 2.94Å; L35-L39 VanDerWaalsContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 3.28Å; L35-I62 HydrophobicContact CD2-CD1 4.03Å; L35-I72 HydrophobicContact CD2-CD1 3.55Å; L35-F79 HydrophobicContact CD1-CE2 4.02Å; L35-F79 HydrophobicContact CD1-CZ 4.18Å; L35-L86 HydrophobicContact CD1-CD1 3.75Å; L35-F110 HydrophobicContact CD1-CD1 3.97Å; L35-F110 HydrophobicContact CD1-CE1 4.41Å; L35-F110 HydrophobicContact CD2-CD1 3.9Å; L35-F110 HydrophobicContact CD2-CE1 3.86Å; L35-F110 HydrophobicContact CG-CD1 3.75Å; L35-F110 HydrophobicContact CG-CE1 4.22Å
36	S	90.5	Very high	84.2	Confident	4 Å²	4	57 Å²	57	3%	0.028	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-51.6	178.8	-177.9	0	0	0	0	111.6	L27 D30 S33 V34 Q38 L40	L27-S36 PolarHBondContact O-N 3.3Å; D30-S36 WeakPolarHBondContact O-CB 3.32Å; S33-S36 PolarHBondContact O-N 3.43Å; S33-S36 VanDerWaalsContact OG-CB 3.28Å; S33-S36 WeakPolarHBondContact OG-CB 3.5Å; S33-S36 PolarHBondContact OG-N 2.72Å; S33-S36 VanDerWaalsContact OG-N 3.1Å; V34-S36 PolarHBondContact O-N 2.78Å; S36-Q38 PolarHBondContact O-N 2.78Å; S36-L40 VanDerWaalsContact O-CB 3.28Å; S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 WeakPolarHBondContact O-CD1 3.1Å; S36-L40 WeakPolarHBondContact O-CG 3.46Å; S36-L40 PolarHBondContact O-N 2.84Å
37	R	88.1	Confident	81.9	Confident	119 Å²	119	64.5 Å²	64.5	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-47.9	-177.4	-72	-166.4	-64.3	-87.8	-5.5	112.5	N32 S33 V34 A41	N32-R37 VanDerWaalsContact C-NH1 3.35Å; N32-R37 PolarHBondContact O-NH1 2.59Å; S33-R37 PolarHBondContact O-N 3.39Å; V34-R37 PolarHBondContact O-N 3Å; R37-A41 WeakPolarHBondContact O-CB 3.36Å; R37-A41 PolarHBondContact O-N 2.89Å
38	Q	87.6	Confident	79.4	Confident	36 Å²	36	68.3 Å²	68.3	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-74.8	-41	-174.9	-71	-168.2	-6.5	0	0	112.2	V34 S36 A41 L42 I62	V34-Q38 HydrophobicContact CG1-CG 4.35Å; V34-Q38 WeakPolarHBondContact O-CB 3.36Å; V34-Q38 PolarHBondContact O-N 2.94Å; S36-Q38 PolarHBondContact O-N 2.78Å; Q38-A41 PolarHBondContact O-N 3.19Å; Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.46Å; Q38-L42 PolarHBondContact O-N 3.4Å; Q38-I62 HydrophobicContact CB-CD1 3.88Å; Q38-I62 HydrophobicContact CB-CG1 4.38Å; Q38-I62 VanDerWaalsContact OE1-N 3.13Å
39	L	86.9	Confident	77	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-68	-39.2	178.2	-71.8	168	0	0	0	112.2	L24 L27 L35 A41 L42 E43 I62 Y70	L24-L39 HydrophobicContact CD1-CB 4.2Å; L27-L39 HydrophobicContact CB-CD1 3.69Å; L27-L39 HydrophobicContact CD1-CD1 3.47Å; L27-L39 VanDerWaalsContact CD1-CD1 3.47Å; L27-L39 HydrophobicContact CG-CD1 4.15Å; L35-L39 VanDerWaalsContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 3.28Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.36Å; L39-L42 PolarHBondContact O-N 3.2Å; L39-E43 WeakPolarHBondContact O-CB 3.23Å; L39-E43 VanDerWaalsContact O-CG 3.31Å; L39-E43 WeakPolarHBondContact O-CG 2.94Å; L39-E43 PolarHBondContact O-N 3.42Å; L39-I62 HydrophobicContact CD2-CD1 4.26Å; L39-I62 HydrophobicContact CG-CD1 3.93Å; L39-Y70 HydrophobicContact CD2-CD1 3.86Å; L39-Y70 HydrophobicContact CD2-CD2 3.84Å; L39-Y70 HydrophobicContact CD2-CE1 3.67Å; L39-Y70 HydrophobicContact CD2-CE2 3.63Å; L39-Y70 HydrophobicContact CD2-CG 3.94Å
40	L	85	Confident	74.7	Confident	59 Å²	59	71.8 Å²	71.8	31%	0.309	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-35.9	175	-69.7	173.4	0	0	0	112	I2 T28 S36 S44	I2-L40 HydrophobicContact CD1-CD2 3.62Å; T28-L40 HydrophobicContact CG2-CD1 4.26Å; T28-L40 HydrophobicContact CG2-CD2 3.84Å; T28-L40 HydrophobicContact CG2-CG 3.79Å; S36-L40 VanDerWaalsContact O-CB 3.28Å; S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 WeakPolarHBondContact O-CD1 3.1Å; S36-L40 WeakPolarHBondContact O-CG 3.46Å; S36-L40 PolarHBondContact O-N 2.84Å; L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.31Å; L40-S44 VanDerWaalsContact O-N 3.09Å
41	A	81.7	Confident	72.4	Confident	66 Å²	66	74 Å²	74	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-38	174.4	0	0	0	0	0	112.3	R37 Q38 L39	R37-A41 WeakPolarHBondContact O-CB 3.36Å; R37-A41 PolarHBondContact O-N 2.89Å; Q38-A41 PolarHBondContact O-N 3.19Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.36Å
42	L	79.8	Confident	70.1	Confident	70 Å²	70	75.1 Å²	75.1	37%	0.366	43%	0.426	S	S	.	.	H	α-helix	trans	-73.1	-36.4	177.7	-69.5	168.9	0	0	0	112.9	Q38 L39 I62 Y70	Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.46Å; Q38-L42 PolarHBondContact O-N 3.4Å; L39-L42 PolarHBondContact O-N 3.2Å; L42-I62 HydrophobicContact CD1-CG2 4.33Å; L42-Y70 HydrophobicContact CB-CE1 4.47Å; L42-Y70 HydrophobicContact CD1-CD1 4.07Å; L42-Y70 HydrophobicContact CD1-CE1 3.77Å
43	E	75.5	Confident	68.2	Low	51 Å²	51	75.2 Å²	75.2	24%	0.238	44%	0.438	C	S	.	.	H	α-helix	trans	-83	-17.6	-177.9	-72.5	-62	126.1	0	0	114	R9 L24 L39 P45 Y70	R9-E43 IonicContact CZ-OE1 3.4Å; R9-E43 IonicContact CZ-OE2 3.66Å; R9-E43 VanDerWaalsContact NH1-CD 3.33Å; R9-E43 IonicContact NH1-OE1 2.71Å; R9-E43 PolarHBondContact NH1-OE1 3.21Å; R9-E43 IonicContact NH1-OE2 3.19Å; R9-E43 PolarHBondContact NH1-OE2 2.98Å; R9-E43 IonicContact NH2-OE1 2.87Å; R9-E43 PolarHBondContact NH2-OE1 3.42Å; R9-E43 IonicContact NH2-OE2 3.03Å; R9-E43 PolarHBondContact NH2-OE2 2.78Å; L24-E43 HydrophobicContact CD1-CG 4.41Å; L39-E43 WeakPolarHBondContact O-CB 3.23Å; L39-E43 VanDerWaalsContact O-CG 3.31Å; L39-E43 WeakPolarHBondContact O-CG 2.94Å; L39-E43 PolarHBondContact O-N 3.42Å; E43-P45 VanDerWaalsContact C-CD 3.45Å; E43-Y70 PolarHBondContact OE1-OH 2.83Å
44	S	71.8	Confident	66	Low	79 Å²	79	82.4 Å²	82.4	55%	0.552	48%	0.477	S	S	*	.	S	Bend	trans	-126.1	71.2	175.4	-66.7	0	0	0	0	109.8	L40 R46	L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.31Å; L40-S44 VanDerWaalsContact O-N 3.09Å; S44-R46 PolarHBondContact O-N 3.24Å
45	P	58.7	Low	63.8	Low	104 Å²	104	88.2 Å²	88.2	68%	0.675	51%	0.507	S	S	*	.			trans	-62.7	102.8	173.1	26	-30.4	0	0	0	107.2	E43 D47	E43-P45 VanDerWaalsContact C-CD 3.45Å; P45-D47 PolarHBondContact O-N 3.06Å
46	R	51.7	Low	61.4	Low	219 Å²	219	92.3 Å²	92.3	83%	0.826	53%	0.533	S	S	*	.			trans	-63.1	125.2	-179.7	-68	-176.3	-174.5	178	2.6	108.6	S44 S48	S44-R46 PolarHBondContact O-N 3.24Å; R46-S48 PolarHBondContact O-N 3.03Å
47	D	47.4	Very low	59	Low	178 Å²	178	100.4 Å²	100.4	95%	0.952	57%	0.57	S	S	*	*	S	Bend	trans	-66.2	17	168.5	-96.7	-23.8	0	0	0	113.6	P45	P45-D47 PolarHBondContact O-N 3.06Å
48	S	38.9	Very low	57	Low	80 Å²	80	105.7 Å²	105.7	56%	0.559	59%	0.59	S	S	*	*	S	Bend	trans	-153.8	110.9	-172.5	32.4	0	0	0	0	113.7	R46	R46-S48 PolarHBondContact O-N 3.03Å
49	S	42.1	Very low	55.3	Low	106 Å²	106	110.6 Å²	110.6	74%	0.741	62%	0.617	S	S	*	*			trans	61.1	134.4	169.3	57.8	0	0	0	0	117.8
50	P	42.6	Very low	54.4	Low	114 Å²	114	114.7 Å²	114.7	74%	0.74	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-60.6	143.8	172.2	0.5	10.6	0	0	0	109.5
51	P	42.8	Very low	54	Low	81 Å²	81	114 Å²	114	53%	0.526	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-57.5	148.5	169.1	25.8	-31.4	0	0	0	109.4	A53 T56	P51-A53 PolarHBondContact O-N 2.87Å; P51-T56 HydrophobicContact CB-CG2 4.42Å; P51-T56 WeakPolarHBondContact CG-OG1 2.9Å
52	P	41	Very low	54	Low	106 Å²	106	111.1 Å²	111.1	69%	0.688	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-53.5	130.9	176.1	21.3	-30.7	0	0	0	109.4	D54	P52-D54 PolarHBondContact O-N 3.31Å
53	A	47.3	Very low	54	Low	87 Å²	87	109.9 Å²	109.9	72%	0.719	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-0.1	-169	0	0	0	0	0	115.4	P51	P51-A53 PolarHBondContact O-N 2.87Å
54	D	44.1	Very low	54.1	Low	151 Å²	151	111 Å²	111	81%	0.807	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-19.7	-169.8	-143.2	4.9	0	0	0	113.9	P52	P52-D54 PolarHBondContact O-N 3.31Å
55	D	44.2	Very low	54	Low	142 Å²	142	108.6 Å²	108.6	76%	0.759	61%	0.609	S	S	*	*	S	Bend	trans	-126.3	-1.1	-168.8	-81	-36.1	0	0	0	116.5
56	T	42.7	Very low	54.3	Low	87 Å²	87	109.6 Å²	109.6	53%	0.534	62%	0.618	S	S	.	*	S	Bend	trans	-126.4	-1.9	-171	41.5	0	0	0	0	116.5	P51 R58	P51-T56 HydrophobicContact CB-CG2 4.42Å; P51-T56 WeakPolarHBondContact CG-OG1 2.9Å; T56-R58 PolarHBondContact O-N 2.82Å
57	E	39.9	Very low	55.1	Low	174 Å²	174	102.7 Å²	102.7	81%	0.813	60%	0.604	S	S	*	*			trans	-79.2	13.3	170.9	-77.2	-163	164.2	0	0	113.9	D59	E57-D59 VanDerWaalsContact C-N 3.26Å; E57-D59 PolarHBondContact O-N 3.41Å
58	R	45.4	Very low	56.3	Low	229 Å²	229	96.2 Å²	96.2	86%	0.864	58%	0.579	S	S	*	*	S	Bend	trans	-71.3	93	165.4	-75.9	-172.7	-172.3	-173.1	4.4	108.2	T56 S60	T56-R58 PolarHBondContact O-N 2.82Å; R58-S60 PolarHBondContact O-N 3.29Å
59	D	52.2	Low	58.4	Low	139 Å²	139	93.1 Å²	93.1	74%	0.743	56%	0.557	S	S	*	*			trans	12.6	103.1	167.6	-72.2	-32.4	0	0	0	113.1	E57 V61	E57-D59 VanDerWaalsContact C-N 3.26Å; E57-D59 PolarHBondContact O-N 3.41Å; D59-V61 PolarHBondContact O-N 2.81Å
60	S	67.4	Low	60.6	Low	86 Å²	86	88.2 Å²	88.2	60%	0.601	52%	0.522	S	S	*	.			trans	-49.3	107.5	167.6	-171.7	0	0	0	0	108.1	R58 I62	R58-S60 PolarHBondContact O-N 3.29Å; S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact OG-O 2.82Å
61	V	77.4	Confident	62.8	Low	46 Å²	46	82.9 Å²	82.9	28%	0.279	49%	0.487	S	S	.	.			trans	-88.4	-10.2	-173.6	-103.7	0	0	0	0	111.1	V34 D59 F109	V34-V61 HydrophobicContact CG1-CG2 3.52Å; D59-V61 PolarHBondContact O-N 2.81Å; V61-F109 HydrophobicContact CB-CE2 4.46Å; V61-F109 HydrophobicContact CB-CZ 3.74Å; V61-F109 HydrophobicContact CG1-CE2 3.67Å; V61-F109 HydrophobicContact CG1-CZ 3.4Å; V61-F109 HydrophobicContact CG2-CZ 4.25Å
62	I	81.6	Confident	65.2	Low	4 Å²	4	79 Å²	79	2%	0.021	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.7	170.6	-55.1	-179.3	0	0	0	108.6	L35 Q38 L39 L42 S60 Y70 F71 I72	L35-I62 HydrophobicContact CD2-CD1 4.03Å; Q38-I62 HydrophobicContact CB-CD1 3.88Å; Q38-I62 HydrophobicContact CB-CG1 4.38Å; Q38-I62 VanDerWaalsContact OE1-N 3.13Å; L39-I62 HydrophobicContact CD2-CD1 4.26Å; L39-I62 HydrophobicContact CG-CD1 3.93Å; L42-I62 HydrophobicContact CD1-CG2 4.33Å; S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact OG-O 2.82Å; I62-Y70 HydrophobicContact CG2-CD1 3.64Å; I62-Y70 HydrophobicContact CG2-CG 3.9Å; I62-F71 WeakPolarHBondContact CA-O 3.48Å; I62-I72 HydrophobicContact CG1-CD1 4.33Å; I62-I72 HydrophobicContact CG1-CG1 4.2Å
63	S	80.2	Confident	67.6	Low	45 Å²	45	74.8 Å²	74.8	32%	0.315	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.1	168.4	-46.9	0	0	0	0	109.3	Y70 F71	S63-Y70 CarbonylContact O-C 3.5Å; S63-Y70 WeakPolarHBondContact O-CA 3.48Å; S63-F71 PolarHBondContact N-O 3.26Å; S63-F71 PolarHBondContact O-N 3.18Å
64	C	75.8	Confident	69.9	Low	73 Å²	73	71 Å²	71	49%	0.493	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.3	176.2	-170	0	0	0	0	109.7	Y70	C64-Y70 HydrophobicContact CB-CD1 4.14Å; C64-Y70 HydrophobicContact CB-CE1 4.26Å
65	F	70.8	Confident	72.3	Confident	30 Å²	30	64 Å²	64	13%	0.132	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-82.7	156.8	171.8	-65.6	-69.9	0	0	0	111.1	S67 G68 S69 F71 I322 N372	F65-S67 WeakPolarHBondContact CB-OG 3.42Å; F65-S67 PolarHBondContact O-N 2.92Å; F65-S67 VanDerWaalsContact O-N 3.08Å; F65-G68 PolarHBondContact O-N 2.93Å; F65-S69 WeakPolarHBondContact CB-O 3.39Å; F65-S69 WeakPolarHBondContact CD2-O 3.44Å; F65-S69 WeakPolarHBondContact CD2-OG 3.46Å; F65-S69 PolarHBondContact N-O 3.18Å; F65-F71 HydrophobicContact CD2-CB 4.4Å; F65-F71 HydrophobicContact CE2-CB 3.55Å; F65-F71 HydrophobicContact CE2-CG 4.45Å; F65-F71 HydrophobicContact CZ-CB 3.81Å; F65-F71 HydrophobicContact CZ-CG 4.36Å; F65-I322 HydrophobicContact CD1-CD1 4.47Å; F65-I322 HydrophobicContact CE1-CD1 3.41Å; F65-I322 VanDerWaalsContact CE1-CD1 3.41Å; F65-I322 HydrophobicContact CE2-CD1 4.48Å; F65-I322 HydrophobicContact CZ-CD1 3.43Å; F65-I322 VanDerWaalsContact CZ-CD1 3.43Å; F65-N372 WeakPolarHBondContact CB-ND2 3.5Å; F65-N372 HydrophobicContact CD1-CB 3.3Å; F65-N372 HydrophobicContact CE1-CB 3.31Å; F65-N372 HydrophobicContact CG-CB 3.96Å; F65-N372 WeakPolarHBondContact CG-ND2 3.22Å; F65-N372 HydrophobicContact CZ-CB 3.97Å
66	S	64.9	Low	74.7	Confident	125 Å²	125	57.5 Å²	57.5	87%	0.874	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.1	174.3	52.7	0	0	0	0	114	G68	S66-G68 VanDerWaalsContact C-N 3.26Å; S66-G68 PolarHBondContact O-N 2.82Å
67	S	67.9	Low	77.1	Confident	74 Å²	74	58.2 Å²	58.2	52%	0.517	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.1	173.4	49.2	0	0	0	0	114.4	F65 S69 N372	F65-S67 WeakPolarHBondContact CB-OG 3.42Å; F65-S67 PolarHBondContact O-N 2.92Å; F65-S67 VanDerWaalsContact O-N 3.08Å; S67-S69 VanDerWaalsContact C-N 3.29Å; S67-S69 PolarHBondContact OG-OG 2.84Å; S67-N372 PolarHBondContact OG-ND2 3.17Å; S67-N372 VanDerWaalsContact OG-ND2 3.15Å
68	G	73.2	Confident	79.7	Confident	41 Å²	41	50 Å²	50	42%	0.423	29%	0.287	S	S	.	.	S	Bend	trans	82.4	1.6	-174.3	0	0	0	0	0	114.6	F65 S66	F65-G68 PolarHBondContact O-N 2.93Å; S66-G68 VanDerWaalsContact C-N 3.26Å; S66-G68 PolarHBondContact O-N 2.82Å
69	S	81.9	Confident	82.2	Confident	15 Å²	15	39.1 Å²	39.1	11%	0.105	25%	0.246	C	C	.	.			trans	-84.2	151.6	170.2	57.1	0	0	0	0	110.8	E12 F65 S67	E12-S69 WeakPolarHBondContact O-CA 3.42Å; F65-S69 WeakPolarHBondContact CB-O 3.39Å; F65-S69 WeakPolarHBondContact CD2-O 3.44Å; F65-S69 WeakPolarHBondContact CD2-OG 3.46Å; F65-S69 PolarHBondContact N-O 3.18Å; S67-S69 VanDerWaalsContact C-N 3.29Å; S67-S69 PolarHBondContact OG-OG 2.84Å
70	Y	88.4	Confident	84.3	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	151.2	179.1	-52.6	-86.4	0	0	0	112.6	R9 I11 E12 L13 N14 L39 L42 E43 I62 S63 C64	R9-Y70 PolarHBondContact NH2-OH 2.94Å; I11-Y70 HydrophobicContact CD1-CE2 4.13Å; I11-Y70 HydrophobicContact CG1-CE2 4.48Å; I11-Y70 HydrophobicContact CG2-CD2 3.51Å; I11-Y70 HydrophobicContact CG2-CE2 3.55Å; E12-Y70 PolarHBondContact O-N 2.95Å; L13-Y70 CarbonylContact C-O 3.53Å; L13-Y70 WeakPolarHBondContact CA-O 3.47Å; L13-Y70 HydrophobicContact CD2-CD2 3.99Å; L13-Y70 HydrophobicContact CD2-CG 4.34Å; N14-Y70 PolarHBondContact N-O 2.76Å; L39-Y70 HydrophobicContact CD2-CD1 3.86Å; L39-Y70 HydrophobicContact CD2-CD2 3.84Å; L39-Y70 HydrophobicContact CD2-CE1 3.67Å; L39-Y70 HydrophobicContact CD2-CE2 3.63Å; L39-Y70 HydrophobicContact CD2-CG 3.94Å; L42-Y70 HydrophobicContact CB-CE1 4.47Å; L42-Y70 HydrophobicContact CD1-CD1 4.07Å; L42-Y70 HydrophobicContact CD1-CE1 3.77Å; E43-Y70 PolarHBondContact OE1-OH 2.83Å; I62-Y70 HydrophobicContact CG2-CD1 3.64Å; I62-Y70 HydrophobicContact CG2-CG 3.9Å; S63-Y70 CarbonylContact O-C 3.5Å; S63-Y70 WeakPolarHBondContact O-CA 3.48Å; C64-Y70 HydrophobicContact CB-CD1 4.14Å; C64-Y70 HydrophobicContact CB-CE1 4.26Å
71	F	89.3	Confident	85.6	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.2	172.2	178.1	-111.2	0	0	0	111.3	N14 I62 S63 F65 D73 I322 V333 T335	N14-F71 HydrophobicContact CB-CD2 4.08Å; N14-F71 CarbonylContact O-C 3.58Å; N14-F71 VanDerWaalsContact O-CA 3.27Å; N14-F71 WeakPolarHBondContact O-CA 3Å; N14-F71 VanDerWaalsContact O-CD2 3.25Å; N14-F71 WeakPolarHBondContact O-CD2 3.35Å; I62-F71 WeakPolarHBondContact CA-O 3.48Å; S63-F71 PolarHBondContact N-O 3.26Å; S63-F71 PolarHBondContact O-N 3.18Å; F65-F71 HydrophobicContact CD2-CB 4.4Å; F65-F71 HydrophobicContact CE2-CB 3.55Å; F65-F71 HydrophobicContact CE2-CG 4.45Å; F65-F71 HydrophobicContact CZ-CB 3.81Å; F65-F71 HydrophobicContact CZ-CG 4.36Å; F71-D73 HydrophobicContact CE1-CB 3.83Å; F71-D73 HydrophobicContact CZ-CB 4.05Å; F71-I322 HydrophobicContact CB-CD1 3.98Å; F71-I322 HydrophobicContact CD1-CD1 3.56Å; F71-I322 HydrophobicContact CD1-CG1 3.86Å; F71-I322 HydrophobicContact CE1-CD1 4.24Å; F71-I322 HydrophobicContact CE1-CG1 4.04Å; F71-I322 HydrophobicContact CE1-CG2 4.28Å; F71-I322 HydrophobicContact CG-CD1 3.84Å; F71-I322 HydrophobicContact CZ-CG2 4.31Å; F71-V333 HydrophobicContact CD2-CG1 4.39Å; F71-V333 HydrophobicContact CE2-CB 4.05Å; F71-V333 HydrophobicContact CE2-CG1 3.5Å; F71-V333 VanDerWaalsContact CE2-CG1 3.5Å; F71-V333 HydrophobicContact CZ-CB 4.42Å; F71-V333 HydrophobicContact CZ-CG1 3.75Å; F71-T335 HydrophobicContact CD1-CG2 4.42Å; F71-T335 HydrophobicContact CE1-CG2 3.71Å
72	I	92.8	Very high	86.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.5	176.1	-48.9	-175.6	0	0	0	107.9	N14 V15 G16 L35 I62 R74 F109 F110	N14-I72 PolarHBondContact O-N 2.94Å; V15-I72 CarbonylContact C-O 3.6Å; V15-I72 WeakPolarHBondContact CA-O 3.2Å; V15-I72 HydrophobicContact CG1-CB 4.23Å; V15-I72 HydrophobicContact CG1-CG2 4.49Å; V15-I72 HydrophobicContact CG2-CB 4.2Å; V15-I72 HydrophobicContact CG2-CD1 4.19Å; V15-I72 HydrophobicContact CG2-CG1 4.38Å; G16-I72 PolarHBondContact N-O 2.64Å; L35-I72 HydrophobicContact CD2-CD1 3.55Å; I62-I72 HydrophobicContact CG1-CD1 4.33Å; I62-I72 HydrophobicContact CG1-CG1 4.2Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 HydrophobicContact CG2-CB 4.14Å; I72-R74 HydrophobicContact CG2-CG 3.73Å; I72-R74 PolarHBondContact O-N 2.75Å; I72-F109 HydrophobicContact CG2-CE1 4.29Å; I72-F110 HydrophobicContact CD1-CE1 4.27Å; I72-F110 HydrophobicContact CG2-CE1 3.91Å; I72-F110 HydrophobicContact CG2-CZ 4.02Å
73	D	93.1	Very high	87.2	Confident	17 Å²	17	35.9 Å²	35.9	9%	0.091	21%	0.205	C	C	.	.			trans	-83.1	66.7	-178.2	-169.4	6.9	0	0	0	112.5	F71 T334 T335 T338 R395	F71-D73 HydrophobicContact CE1-CB 3.83Å; F71-D73 HydrophobicContact CZ-CB 4.05Å; D73-T334 VanDerWaalsContact CG-OG1 3.27Å; D73-T334 VanDerWaalsContact OD1-CA 3.27Å; D73-T334 WeakPolarHBondContact OD1-CA 3.36Å; D73-T334 WeakPolarHBondContact OD1-CB 3.23Å; D73-T334 PolarHBondContact OD1-OG1 2.81Å; D73-T334 PolarHBondContact OD2-OG1 2.96Å; D73-T335 HydrophobicContact CB-CG2 3.95Å; D73-T335 WeakPolarHBondContact OD2-CB 3.37Å; D73-T335 PolarHBondContact OD2-N 2.92Å; D73-T335 PolarHBondContact OD2-OG1 2.67Å; D73-T338 VanDerWaalsContact OD2-CB 3.31Å; D73-T338 WeakPolarHBondContact OD2-CB 3.36Å; D73-T338 PolarHBondContact OD2-OG1 3.37Å; D73-R395 PolarHBondContact O-NE 3.01Å; D73-R395 IonicContact OD1-CZ 3.21Å; D73-R395 IonicContact OD1-NE 3.62Å; D73-R395 PolarHBondContact OD1-NE 2.71Å; D73-R395 IonicContact OD1-NH2 2.67Å; D73-R395 PolarHBondContact OD1-NH2 3.22Å
74	R	95.1	Very high	87.9	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.026	21%	0.205	C	C	.	.	S	Bend	trans	-135.6	172.1	-176.9	-68	-54.4	-60.5	-178.5	1.8	112.8	V15 G16 I72 G76 E106 F109 F110 R395 N396	V15-R74 HydrophobicContact CG1-CB 3.89Å; G16-R74 VanDerWaalsContact CA-O 3.24Å; G16-R74 WeakPolarHBondContact CA-O 3.09Å; G16-R74 PolarHBondContact N-O 3.46Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 HydrophobicContact CG2-CB 4.14Å; I72-R74 HydrophobicContact CG2-CG 3.73Å; I72-R74 PolarHBondContact O-N 2.75Å; R74-G76 PolarHBondContact O-N 3.14Å; R74-E106 IonicContact CZ-OE1 3.48Å; R74-E106 IonicContact CZ-OE2 3.14Å; R74-E106 IonicContact NE-OE1 3.23Å; R74-E106 PolarHBondContact NE-OE1 3Å; R74-E106 IonicContact NE-OE2 2.64Å; R74-E106 PolarHBondContact NE-OE2 3.09Å; R74-E106 VanDerWaalsContact NH2-CD 3.29Å; R74-E106 IonicContact NH2-OE1 3.53Å; R74-E106 PolarHBondContact NH2-OE1 3.46Å; R74-E106 IonicContact NH2-OE2 3.12Å; R74-E106 PolarHBondContact NH2-OE2 2.85Å; R74-F109 VanDerWaalsContact CD-CE1 3.49Å; R74-F109 HydrophobicContact CG-CD1 3.58Å; R74-F109 HydrophobicContact CG-CE1 3.29Å; R74-F109 HydrophobicContact CG-CE2 4.36Å; R74-F109 HydrophobicContact CG-CG 4.24Å; R74-F109 HydrophobicContact CG-CZ 3.7Å; R74-F110 HydrophobicContact CB-CE2 4.42Å; R74-F110 HydrophobicContact CB-CZ 4.02Å; R74-F110 HydrophobicContact CG-CE2 4.31Å; R74-F110 HydrophobicContact CG-CZ 3.8Å; R74-R395 VanDerWaalsContact C-NH1 3.33Å; R74-R395 PolarHBondContact O-NH1 2.95Å; R74-R395 PolarHBondContact O-NH2 3.24Å; R74-N396 PolarHBondContact NH1-OD1 3.36Å; R74-N396 PolarHBondContact NH2-OD1 3.05Å
75	D	94.5	Very high	88.8	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.027	19%	0.187	C	C	.	.			trans	-65.3	104.5	176.3	-169.4	-49	0	0	0	110.4	K77 L78 F79 R388 E392	D75-K77 VanDerWaalsContact C-N 3.29Å; D75-K77 PolarHBondContact O-N 3.25Å; D75-K77 WeakPolarHBondContact OD1-CA 3.35Å; D75-K77 WeakPolarHBondContact OD1-CB 3.14Å; D75-K77 PolarHBondContact OD1-N 3.23Å; D75-L78 HydrophobicContact CB-CB 4.08Å; D75-L78 HydrophobicContact CB-CD1 4.07Å; D75-L78 HydrophobicContact CB-CG 4.28Å; D75-L78 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact OD1-N 3.36Å; D75-F79 WeakPolarHBondContact O-CB 3.12Å; D75-F79 PolarHBondContact O-N 2.81Å; D75-R388 IonicContact OD1-NH2 2.73Å; D75-R388 IonicContact OD2-CZ 3.62Å; D75-R388 IonicContact OD2-NE 3.24Å; D75-R388 PolarHBondContact OD2-NE 3.47Å; D75-R388 IonicContact OD2-NH2 2.71Å; D75-R388 PolarHBondContact OD2-NH2 3.1Å; D75-E392 WeakPolarHBondContact CB-OE1 3.5Å
76	G	93.9	Very high	89.9	Confident	4 Å²	4	33.7 Å²	33.7	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-33.5	179.8	0	0	0	0	0	113.9	V15 Y20 R74	V15-G76 WeakPolarHBondContact O-CA 3.39Å; Y20-G76 WeakPolarHBondContact CE2-O 3.47Å; Y20-G76 VanDerWaalsContact CZ-O 3.32Å; Y20-G76 PolarHBondContact OH-O 3.2Å; R74-G76 PolarHBondContact O-N 3.14Å
77	K	93.7	Very high	91.3	Very high	102 Å²	102	32.9 Å²	32.9	44%	0.443	16%	0.16	S	C	.	.	H	α-helix	trans	-73.5	-41.5	-178.8	-67.2	179.8	179.8	176.4	0	110.7	D75 R80	D75-K77 VanDerWaalsContact C-N 3.29Å; D75-K77 PolarHBondContact O-N 3.25Å; D75-K77 WeakPolarHBondContact OD1-CA 3.35Å; D75-K77 WeakPolarHBondContact OD1-CB 3.14Å; D75-K77 PolarHBondContact OD1-N 3.23Å; K77-R80 WeakPolarHBondContact O-CB 3.41Å
78	L	94.9	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-73	-30.8	176.9	-67.4	174.5	0	0	0	112.6	D75 R80 Y81 F97 E99 A102 L103 E106	D75-L78 HydrophobicContact CB-CB 4.08Å; D75-L78 HydrophobicContact CB-CD1 4.07Å; D75-L78 HydrophobicContact CB-CG 4.28Å; D75-L78 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact OD1-N 3.36Å; L78-R80 PolarHBondContact O-N 3.11Å; L78-R80 VanDerWaalsContact O-N 3.08Å; L78-Y81 HydrophobicContact CD2-CD2 4.27Å; L78-Y81 HydrophobicContact CD2-CE2 4.22Å; L78-Y81 WeakPolarHBondContact O-CD2 3.35Å; L78-Y81 PolarHBondContact O-N 3.26Å; L78-F97 HydrophobicContact CD2-CE2 4.23Å; L78-F97 HydrophobicContact CD2-CZ 4.18Å; L78-E99 HydrophobicContact CD2-CB 4.37Å; L78-A102 HydrophobicContact CD1-CB 3.58Å; L78-L103 HydrophobicContact CD2-CB 4.45Å; L78-E106 HydrophobicContact CB-CG 3.73Å; L78-E106 HydrophobicContact CD1-CG 4.03Å
79	F	96.9	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.3	-28.7	176.4	-174.9	-105.1	0	0	0	113.3	L13 V15 Y20 L35 D75 Y81 V82 L83 F110	L13-F79 HydrophobicContact CD1-CE1 4.04Å; L13-F79 HydrophobicContact CD1-CZ 4.12Å; V15-F79 HydrophobicContact CB-CB 4.32Å; V15-F79 HydrophobicContact CB-CD1 4.23Å; V15-F79 HydrophobicContact CB-CG 4.21Å; V15-F79 HydrophobicContact CG1-CB 3.8Å; V15-F79 HydrophobicContact CG1-CD1 4.39Å; V15-F79 HydrophobicContact CG1-CD2 4.21Å; V15-F79 HydrophobicContact CG1-CG 3.88Å; V15-F79 HydrophobicContact CG2-CD1 3.63Å; V15-F79 HydrophobicContact CG2-CD2 4.39Å; V15-F79 HydrophobicContact CG2-CE1 3.81Å; V15-F79 HydrophobicContact CG2-CG 3.94Å; V15-F79 HydrophobicContact CG2-CZ 4.26Å; Y20-F79 AromaticContact CD2-CD1 3.78Å; Y20-F79 HydrophobicContact CD2-CD1 3.78Å; Y20-F79 HydrophobicContact CD2-CE1 4.29Å; Y20-F79 HydrophobicContact CE2-CB 4.38Å; Y20-F79 AromaticContact CE2-CD1 3.77Å; Y20-F79 HydrophobicContact CE2-CD1 3.77Å; Y20-F79 HydrophobicContact CG-CD1 4.17Å; Y20-F79 HydrophobicContact CG-CE1 4.37Å; L35-F79 HydrophobicContact CD1-CE2 4.02Å; L35-F79 HydrophobicContact CD1-CZ 4.18Å; D75-F79 WeakPolarHBondContact O-CB 3.12Å; D75-F79 PolarHBondContact O-N 2.81Å; F79-Y81 PolarHBondContact O-N 2.85Å; F79-V82 HydrophobicContact CD2-CB 4.23Å; F79-V82 HydrophobicContact CE2-CG1 4.41Å; F79-V82 WeakPolarHBondContact O-CB 3.37Å; F79-V82 PolarHBondContact O-N 3.15Å; F79-V82 VanDerWaalsContact O-N 3.12Å; F79-L83 HydrophobicContact CD1-CB 4.36Å; F79-L83 HydrophobicContact CE1-CB 4.05Å; F79-L83 HydrophobicContact CE1-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.44Å; F79-L83 PolarHBondContact O-N 3.39Å; F79-F110 HydrophobicContact CD2-CD2 4.29Å; F79-F110 HydrophobicContact CD2-CE1 4.17Å; F79-F110 AromaticContact CD2-CE2 3.5Å; F79-F110 HydrophobicContact CD2-CE2 3.5Å; F79-F110 VanDerWaalsContact CD2-CE2 3.5Å; F79-F110 AromaticContact CD2-CZ 3.41Å; F79-F110 HydrophobicContact CD2-CZ 3.41Å; F79-F110 VanDerWaalsContact CD2-CZ 3.41Å; F79-F110 HydrophobicContact CE2-CD1 4.42Å; F79-F110 HydrophobicContact CE2-CD2 4.45Å; F79-F110 AromaticContact CE2-CE1 3.83Å; F79-F110 HydrophobicContact CE2-CE1 3.83Å; F79-F110 AromaticContact CE2-CE2 3.91Å; F79-F110 HydrophobicContact CE2-CE2 3.91Å; F79-F110 AromaticContact CE2-CZ 3.55Å; F79-F110 HydrophobicContact CE2-CZ 3.55Å
80	R	96.4	Very high	93.7	Very high	162 Å²	162	37.4 Å²	37.4	61%	0.611	17%	0.169	S	C	*	.	H	α-helix	trans	-48.5	-44	172.4	-178.7	179.2	172.4	169.1	-1.2	112.3	Y20 K77 L78 E84	Y20-R80 HydrophobicContact CE1-CB 4.32Å; Y20-R80 WeakPolarHBondContact OH-CB 3.47Å; Y20-R80 PolarHBondContact OH-N 3.32Å; K77-R80 WeakPolarHBondContact O-CB 3.41Å; L78-R80 PolarHBondContact O-N 3.11Å; L78-R80 VanDerWaalsContact O-N 3.08Å; R80-E84 WeakPolarHBondContact O-CB 3.38Å; R80-E84 PolarHBondContact O-N 3.45Å
81	Y	95.4	Very high	93.8	Very high	43 Å²	43	38.4 Å²	38.4	17%	0.169	18%	0.175	C	C	.	.	H	α-helix	trans	-75.1	-35.3	-176.8	-55.1	-65.9	0	0	0	111.9	L78 F79 E84 Y85 L93 P94 F97 L103	L78-Y81 HydrophobicContact CD2-CD2 4.27Å; L78-Y81 HydrophobicContact CD2-CE2 4.22Å; L78-Y81 WeakPolarHBondContact O-CD2 3.35Å; L78-Y81 PolarHBondContact O-N 3.26Å; F79-Y81 PolarHBondContact O-N 2.85Å; Y81-E84 PolarHBondContact O-N 2.8Å; Y81-Y85 WeakPolarHBondContact O-CB 3.45Å; Y81-Y85 PolarHBondContact O-N 2.66Å; Y81-L93 HydrophobicContact CD1-CD2 3.57Å; Y81-L93 HydrophobicContact CD2-CD2 4.4Å; Y81-L93 HydrophobicContact CE1-CD2 3.93Å; Y81-L93 HydrophobicContact CG-CD2 3.82Å; Y81-P94 HydrophobicContact CE1-CG 4.44Å; Y81-F97 HydrophobicContact CD2-CE2 4.16Å; Y81-F97 HydrophobicContact CE2-CD2 4.2Å; Y81-F97 AromaticContact CE2-CE2 3.56Å; Y81-F97 HydrophobicContact CE2-CE2 3.56Å; Y81-F97 HydrophobicContact CE2-CZ 4.41Å; Y81-F97 AromaticContact CZ-CE2 3.91Å; Y81-L103 HydrophobicContact CD2-CD1 4.22Å; Y81-L103 HydrophobicContact CG-CD1 4.43Å
82	V	96.4	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-48.5	171.7	-178.4	0	0	0	0	109.9	F79 E84 Y85 L86 L103 E106 F110 V112 L115	F79-V82 HydrophobicContact CD2-CB 4.23Å; F79-V82 HydrophobicContact CE2-CG1 4.41Å; F79-V82 WeakPolarHBondContact O-CB 3.37Å; F79-V82 PolarHBondContact O-N 3.15Å; F79-V82 VanDerWaalsContact O-N 3.12Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.32Å; V82-Y85 WeakPolarHBondContact O-CB 3.5Å; V82-Y85 PolarHBondContact O-N 3.29Å; V82-L86 HydrophobicContact CG1-CD1 4.42Å; V82-L86 WeakPolarHBondContact O-CG 3.33Å; V82-L86 PolarHBondContact O-N 2.75Å; V82-L103 HydrophobicContact CG2-CD1 4.36Å; V82-E106 HydrophobicContact CG2-CB 4.05Å; V82-F110 HydrophobicContact CB-CD2 4.41Å; V82-F110 HydrophobicContact CG1-CB 4.27Å; V82-F110 HydrophobicContact CG1-CD2 3.89Å; V82-F110 HydrophobicContact CG1-CG 4.19Å; V82-F110 HydrophobicContact CG2-CD2 4.04Å; V82-F110 HydrophobicContact CG2-CE2 4.45Å; V82-V112 HydrophobicContact CG1-CG2 4.33Å; V82-L115 HydrophobicContact CB-CD2 4.35Å; V82-L115 HydrophobicContact CG1-CD2 4.4Å; V82-L115 HydrophobicContact CG2-CD2 4.04Å
83	L	96.4	Very high	93	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-41.1	178.6	-178.2	60.3	0	0	0	112.1	Y20 T22 T26 L27 F79 L86 R87	Y20-L83 HydrophobicContact CD1-CD2 3.69Å; Y20-L83 HydrophobicContact CE1-CD2 4.35Å; Y20-L83 HydrophobicContact CG-CD2 4.31Å; T22-L83 HydrophobicContact CG2-CD1 4.01Å; T26-L83 HydrophobicContact CG2-CD1 4.07Å; L27-L83 HydrophobicContact CD2-CD1 4.15Å; F79-L83 HydrophobicContact CD1-CB 4.36Å; F79-L83 HydrophobicContact CE1-CB 4.05Å; F79-L83 HydrophobicContact CE1-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.44Å; F79-L83 PolarHBondContact O-N 3.39Å; L83-L86 PolarHBondContact O-N 2.95Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.06Å
84	E	93.3	Very high	92.2	Very high	64 Å²	64	46.4 Å²	46.4	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-40.2	178.6	-164.7	52.9	-142	0	0	111.6	R80 Y81 V82 L86 R87 N88	R80-E84 WeakPolarHBondContact O-CB 3.38Å; R80-E84 PolarHBondContact O-N 3.45Å; Y81-E84 PolarHBondContact O-N 2.8Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.32Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-L86 PolarHBondContact O-N 2.67Å; E84-R87 WeakPolarHBondContact O-CB 3.23Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 VanDerWaalsContact O-N 3.1Å; E84-R87 IonicContact OE2-NH1 2.68Å; E84-R87 PolarHBondContact OE2-NH1 2.96Å; E84-R87 VanDerWaalsContact OE2-NH1 3.16Å; E84-N88 WeakPolarHBondContact CG-ND2 3.34Å; E84-N88 PolarHBondContact O-N 2.84Å; E84-N88 PolarHBondContact O-ND2 2.78Å; E84-N88 VanDerWaalsContact O-ND2 3.11Å; E84-N88 PolarHBondContact O-OD1 3.24Å; E84-N88 PolarHBondContact OE1-ND2 2.68Å
85	Y	95.1	Very high	90.7	Very high	33 Å²	33	53.7 Å²	53.7	13%	0.129	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-45.3	171	-175.1	-89.5	0	0	0	111.6	Y81 V82 R87 N88 G89 V112 G114 L115 E118	Y81-Y85 WeakPolarHBondContact O-CB 3.45Å; Y81-Y85 PolarHBondContact O-N 2.66Å; V82-Y85 WeakPolarHBondContact O-CB 3.5Å; V82-Y85 PolarHBondContact O-N 3.29Å; Y85-R87 PolarHBondContact O-N 3.4Å; Y85-N88 PolarHBondContact O-N 2.93Å; Y85-G89 VanDerWaalsContact O-CA 3.24Å; Y85-G89 WeakPolarHBondContact O-CA 3.06Å; Y85-G89 PolarHBondContact O-N 2.99Å; Y85-V112 HydrophobicContact CD1-CG1 3.66Å; Y85-V112 HydrophobicContact CE1-CG1 3.65Å; Y85-G114 VanDerWaalsContact OH-CA 3.28Å; Y85-G114 WeakPolarHBondContact OH-CA 3.43Å; Y85-G114 PolarHBondContact OH-O 2.83Å; Y85-L115 HydrophobicContact CD1-CB 3.83Å; Y85-L115 HydrophobicContact CD2-CB 4.07Å; Y85-L115 HydrophobicContact CD2-CD1 3.74Å; Y85-L115 HydrophobicContact CD2-CG 4.42Å; Y85-L115 HydrophobicContact CE1-CB 3.91Å; Y85-L115 HydrophobicContact CE2-CB 4.15Å; Y85-L115 HydrophobicContact CE2-CD1 4.34Å; Y85-L115 HydrophobicContact CG-CB 3.92Å; Y85-L115 HydrophobicContact CG-CD1 3.95Å; Y85-L115 HydrophobicContact CG-CD2 4.34Å; Y85-L115 HydrophobicContact CG-CG 4.28Å; Y85-L115 PolarHBondContact OH-N 2.91Å; Y85-E118 WeakPolarHBondContact CE2-OE1 3.46Å
86	L	94.9	Very high	89.5	Confident	5 Å²	5	57 Å²	57	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-27.8	176.6	-68.6	173.8	0	0	0	112.5	T26 K29 D30 L35 V82 L83 E84 V112	T26-L86 HydrophobicContact CG2-CB 4.13Å; K29-L86 WeakPolarHBondContact CD-O 3.43Å; D30-L86 HydrophobicContact CB-CD2 3.98Å; L35-L86 HydrophobicContact CD1-CD1 3.75Å; V82-L86 HydrophobicContact CG1-CD1 4.42Å; V82-L86 WeakPolarHBondContact O-CG 3.33Å; V82-L86 PolarHBondContact O-N 2.75Å; L83-L86 PolarHBondContact O-N 2.95Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-L86 PolarHBondContact O-N 2.67Å; L86-V112 HydrophobicContact CD2-CG1 4.4Å; L86-V112 HydrophobicContact CD2-CG2 4.45Å
87	R	93.1	Very high	88.8	Confident	109 Å²	109	57.2 Å²	57.2	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-72.7	-51.6	174.4	-71.8	173.1	178.6	154.6	-2.3	112.2	T26 K29 L83 E84 Y85	T26-R87 HydrophobicContact CG2-CB 4.46Å; T26-R87 HydrophobicContact CG2-CG 3.53Å; K29-R87 PolarHBondContact NZ-O 2.84Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.06Å; E84-R87 WeakPolarHBondContact O-CB 3.23Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 VanDerWaalsContact O-N 3.1Å; E84-R87 IonicContact OE2-NH1 2.68Å; E84-R87 PolarHBondContact OE2-NH1 2.96Å; E84-R87 VanDerWaalsContact OE2-NH1 3.16Å; Y85-R87 PolarHBondContact O-N 3.4Å
88	N	91.8	Very high	88	Confident	53 Å²	53	54.9 Å²	54.9	28%	0.283	27%	0.27	S	S	.	.	H	α-helix	trans	-112	-12.5	-163.7	63.9	36.5	0	0	0	114.8	E84 Y85 K90	E84-N88 WeakPolarHBondContact CG-ND2 3.34Å; E84-N88 PolarHBondContact O-N 2.84Å; E84-N88 PolarHBondContact O-ND2 2.78Å; E84-N88 VanDerWaalsContact O-ND2 3.11Å; E84-N88 PolarHBondContact O-OD1 3.24Å; E84-N88 PolarHBondContact OE1-ND2 2.68Å; Y85-N88 PolarHBondContact O-N 2.93Å; N88-K90 WeakPolarHBondContact OD1-CA 3.33Å; N88-K90 PolarHBondContact OD1-N 2.97Å; N88-K90 PolarHBondContact OD1-O 3.01Å
89	G	90.9	Very high	87.6	Confident	35 Å²	35	56.7 Å²	56.7	36%	0.361	28%	0.278	S	S	.	.	S	Bend	trans	71.2	25.1	-178.1	0	0	0	0	0	114.5	Y85	Y85-G89 VanDerWaalsContact O-CA 3.24Å; Y85-G89 WeakPolarHBondContact O-CA 3.06Å; Y85-G89 PolarHBondContact O-N 2.99Å
90	K	90.6	Very high	87.1	Confident	136 Å²	136	56.8 Å²	56.8	59%	0.591	28%	0.279	S	S	*	.	S	Bend	trans	-141.3	140.4	-177.2	-62.1	-175.8	-179.6	-177.9	0	111.8	N88 I92	N88-K90 WeakPolarHBondContact OD1-CA 3.33Å; N88-K90 PolarHBondContact OD1-N 2.97Å; N88-K90 PolarHBondContact OD1-O 3.01Å; K90-I92 HydrophobicContact CB-CG1 4.41Å; K90-I92 PolarHBondContact O-N 3.28Å
91	L	90.5	Very high	86.7	Confident	26 Å²	26	51.2 Å²	51.2	14%	0.136	26%	0.26	C	S	.	.			trans	-78.4	98.9	173.1	-178.9	56.4	0	0	0	111.5	L93 L103 L115 E118 I119	L91-L93 HydrophobicContact CD1-CD1 3.82Å; L91-L93 HydrophobicContact CD1-CD2 3.77Å; L91-L93 HydrophobicContact CD1-CG 3.63Å; L91-L93 HydrophobicContact CD2-CD1 4.01Å; L91-L93 HydrophobicContact CG-CD1 3.89Å; L91-L93 HydrophobicContact CG-CG 3.92Å; L91-L103 HydrophobicContact CD1-CD2 4.06Å; L91-L115 HydrophobicContact CB-CD1 4.41Å; L91-L115 HydrophobicContact CD1-CD1 3.71Å; L91-L115 HydrophobicContact CG-CD1 4.45Å; L91-E118 WeakPolarHBondContact CA-OE2 3.25Å; L91-E118 HydrophobicContact CB-CB 4.01Å; L91-E118 WeakPolarHBondContact CB-OE2 3.27Å; L91-E118 HydrophobicContact CD2-CB 4.06Å; L91-E118 PolarHBondContact N-OE2 3.11Å; L91-I119 HydrophobicContact CD2-CB 4.44Å; L91-I119 HydrophobicContact CD2-CG1 3.69Å
92	I	83.9	Confident	86.4	Confident	104 Å²	104	50.1 Å²	50.1	53%	0.533	26%	0.26	S	S	.	.			trans	-104.3	113.4	174.9	-54.3	178	0	0	0	109.1	K90	K90-I92 HydrophobicContact CB-CG1 4.41Å; K90-I92 PolarHBondContact O-N 3.28Å
93	L	82.7	Confident	86.2	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	26%	0.26	C	S	.	.			trans	-123.6	147.1	-179.3	-62.4	173.2	0	0	0	110.6	Y81 L91 F97 Y100 L103	Y81-L93 HydrophobicContact CD1-CD2 3.57Å; Y81-L93 HydrophobicContact CD2-CD2 4.4Å; Y81-L93 HydrophobicContact CE1-CD2 3.93Å; Y81-L93 HydrophobicContact CG-CD2 3.82Å; L91-L93 HydrophobicContact CD1-CD1 3.82Å; L91-L93 HydrophobicContact CD1-CD2 3.77Å; L91-L93 HydrophobicContact CD1-CG 3.63Å; L91-L93 HydrophobicContact CD2-CD1 4.01Å; L91-L93 HydrophobicContact CG-CD1 3.89Å; L91-L93 HydrophobicContact CG-CG 3.92Å; L93-F97 HydrophobicContact CB-CB 4.08Å; L93-F97 HydrophobicContact CB-CD1 4.49Å; L93-F97 HydrophobicContact CB-CG 4.21Å; L93-F97 HydrophobicContact CD1-CD1 3.71Å; L93-F97 HydrophobicContact CD1-CE1 4.03Å; L93-F97 HydrophobicContact CD1-CG 4.25Å; L93-F97 HydrophobicContact CD2-CD1 4.24Å; L93-F97 HydrophobicContact CD2-CD2 4.24Å; L93-F97 HydrophobicContact CD2-CE1 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.31Å; L93-F97 HydrophobicContact CD2-CG 4.21Å; L93-F97 HydrophobicContact CD2-CZ 4.32Å; L93-F97 HydrophobicContact CG-CD1 4.37Å; L93-F97 HydrophobicContact CG-CG 4.46Å; L93-Y100 HydrophobicContact CD1-CD1 4.27Å; L93-Y100 HydrophobicContact CD1-CE1 3.58Å; L93-L103 HydrophobicContact CD1-CD2 4.3Å; L93-L103 HydrophobicContact CD2-CD2 3.72Å
94	P	76.5	Confident	86.1	Confident	61 Å²	61	53.2 Å²	53.2	40%	0.396	27%	0.272	S	S	.	.			trans	-53.2	148.6	167.1	-23.1	32.4	0	0	0	111.2	Y81 S96 F97	Y81-P94 HydrophobicContact CE1-CG 4.44Å; P94-S96 PolarHBondContact O-N 3.2Å; P94-F97 WeakPolarHBondContact O-CB 3.33Å; P94-F97 PolarHBondContact O-N 2.75Å; P94-F97 VanDerWaalsContact O-N 3.08Å
95	E	63.5	Low	86	Confident	161 Å²	161	52.1 Å²	52.1	75%	0.752	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.3	178.7	-68.8	179.3	173.9	0	0	112.2	F97	E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 3.26Å
96	S	68	Low	86	Confident	75 Å²	75	50.6 Å²	50.6	52%	0.524	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	12.3	179.4	61.4	0	0	0	0	114.5	P94 N98	P94-S96 PolarHBondContact O-N 3.2Å; S96-N98 PolarHBondContact O-N 3.42Å
97	F	79.2	Confident	86	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.031	26%	0.259	C	S	.	.			trans	-67.8	124	-178.6	-173	-94.2	0	0	0	110.8	L78 Y81 L93 P94 E95 E99 Y100 L103	L78-F97 HydrophobicContact CD2-CE2 4.23Å; L78-F97 HydrophobicContact CD2-CZ 4.18Å; Y81-F97 HydrophobicContact CD2-CE2 4.16Å; Y81-F97 HydrophobicContact CE2-CD2 4.2Å; Y81-F97 AromaticContact CE2-CE2 3.56Å; Y81-F97 HydrophobicContact CE2-CE2 3.56Å; Y81-F97 HydrophobicContact CE2-CZ 4.41Å; Y81-F97 AromaticContact CZ-CE2 3.91Å; L93-F97 HydrophobicContact CB-CB 4.08Å; L93-F97 HydrophobicContact CB-CD1 4.49Å; L93-F97 HydrophobicContact CB-CG 4.21Å; L93-F97 HydrophobicContact CD1-CD1 3.71Å; L93-F97 HydrophobicContact CD1-CE1 4.03Å; L93-F97 HydrophobicContact CD1-CG 4.25Å; L93-F97 HydrophobicContact CD2-CD1 4.24Å; L93-F97 HydrophobicContact CD2-CD2 4.24Å; L93-F97 HydrophobicContact CD2-CE1 4.27Å; L93-F97 HydrophobicContact CD2-CE2 4.31Å; L93-F97 HydrophobicContact CD2-CG 4.21Å; L93-F97 HydrophobicContact CD2-CZ 4.32Å; L93-F97 HydrophobicContact CG-CD1 4.37Å; L93-F97 HydrophobicContact CG-CG 4.46Å; P94-F97 WeakPolarHBondContact O-CB 3.33Å; P94-F97 PolarHBondContact O-N 2.75Å; P94-F97 VanDerWaalsContact O-N 3.08Å; E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 3.26Å; F97-E99 HydrophobicContact CE1-CB 4.27Å; F97-E99 WeakPolarHBondContact CE1-O 3.47Å; F97-E99 HydrophobicContact CE2-CB 4.1Å; F97-E99 HydrophobicContact CZ-CB 3.75Å; F97-E99 WeakPolarHBondContact CZ-O 3.44Å; F97-Y100 HydrophobicContact CD1-CD1 4.21Å; F97-Y100 HydrophobicContact CD1-CD2 4.1Å; F97-Y100 HydrophobicContact CD1-CE1 4.04Å; F97-Y100 AromaticContact CD1-CE2 3.95Å; F97-Y100 HydrophobicContact CD1-CE2 3.95Å; F97-Y100 HydrophobicContact CD1-CG 4.23Å; F97-Y100 AromaticContact CD1-CZ 3.91Å; F97-Y100 HydrophobicContact CE1-CD1 4.2Å; F97-Y100 HydrophobicContact CE1-CD2 4.41Å; F97-Y100 HydrophobicContact CE1-CE1 4.44Å; F97-Y100 HydrophobicContact CE1-CG 4.17Å; F97-Y100 WeakPolarHBondContact O-CE2 3.48Å; F97-L103 HydrophobicContact CE1-CB 4.3Å; F97-L103 HydrophobicContact CE1-CD2 4.11Å; F97-L103 HydrophobicContact CZ-CB 3.93Å; F97-L103 HydrophobicContact CZ-CD2 3.96Å
98	N	78.1	Confident	86	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	27%	0.267	S	S	.	.			trans	-126.3	6.3	-176	64.4	-15.8	0	0	0	113.7	S96 N404	S96-N98 PolarHBondContact O-N 3.42Å; N98-N404 PolarHBondContact ND2-OD1 2.95Å
99	E	85.4	Confident	86	Confident	40 Å²	40	52.6 Å²	52.6	19%	0.187	27%	0.265	C	S	.	.			trans	-102.8	41.2	-176.8	-65.8	177	90.2	0	0	111.8	L78 F97 E101 A102 L103 R388	L78-E99 HydrophobicContact CD2-CB 4.37Å; F97-E99 HydrophobicContact CE1-CB 4.27Å; F97-E99 WeakPolarHBondContact CE1-O 3.47Å; F97-E99 HydrophobicContact CE2-CB 4.1Å; F97-E99 HydrophobicContact CZ-CB 3.75Å; F97-E99 WeakPolarHBondContact CZ-O 3.44Å; E99-E101 PolarHBondContact O-N 2.97Å; E99-A102 HydrophobicContact CB-CB 4.27Å; E99-A102 PolarHBondContact O-N 2.89Å; E99-L103 PolarHBondContact O-N 2.61Å; E99-R388 IonicContact OE1-CZ 3.92Å; E99-R388 IonicContact OE1-NH1 3.38Å; E99-R388 PolarHBondContact OE1-NH1 2.83Å; E99-R388 IonicContact OE1-NH2 3.64Å; E99-R388 PolarHBondContact OE1-NH2 2.79Å; E99-R388 IonicContact OE2-NH1 3.13Å
100	Y	87.1	Confident	86.2	Confident	3 Å²	3	51 Å²	51	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-175.6	-74.2	-83.4	0	0	0	112.8	L93 F97 A102 L103 Y104 R122 I123 R126	L93-Y100 HydrophobicContact CD1-CD1 4.27Å; L93-Y100 HydrophobicContact CD1-CE1 3.58Å; F97-Y100 HydrophobicContact CD1-CD1 4.21Å; F97-Y100 HydrophobicContact CD1-CD2 4.1Å; F97-Y100 HydrophobicContact CD1-CE1 4.04Å; F97-Y100 AromaticContact CD1-CE2 3.95Å; F97-Y100 HydrophobicContact CD1-CE2 3.95Å; F97-Y100 HydrophobicContact CD1-CG 4.23Å; F97-Y100 AromaticContact CD1-CZ 3.91Å; F97-Y100 HydrophobicContact CE1-CD1 4.2Å; F97-Y100 HydrophobicContact CE1-CD2 4.41Å; F97-Y100 HydrophobicContact CE1-CE1 4.44Å; F97-Y100 HydrophobicContact CE1-CG 4.17Å; F97-Y100 WeakPolarHBondContact O-CE2 3.48Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.84Å; Y100-L103 PolarHBondContact O-N 3.13Å; Y100-Y104 WeakPolarHBondContact O-CB 3.33Å; Y100-Y104 PolarHBondContact O-N 2.91Å; Y100-R122 HydrophobicContact CE1-CB 4.19Å; Y100-R122 HydrophobicContact CE1-CG 4.21Å; Y100-I123 HydrophobicContact CD1-CG1 4.44Å; Y100-I123 HydrophobicContact CG-CG1 4.35Å; Y100-R126 VanDerWaalsContact OH-CZ 3.3Å; Y100-R126 PolarHBondContact OH-NE 2.99Å; Y100-R126 PolarHBondContact OH-NH2 3.25Å
101	E	87.2	Confident	86.4	Confident	45 Å²	45	47 Å²	47	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-37.1	178.8	-67.3	79.4	-179.3	0	0	111.1	E99 Y104 E105 S282 V400 K403	E99-E101 PolarHBondContact O-N 2.97Å; E101-Y104 WeakPolarHBondContact O-CB 3.38Å; E101-Y104 PolarHBondContact O-N 2.86Å; E101-E105 PolarHBondContact O-N 3.17Å; E101-S282 PolarHBondContact OE1-OG 3.36Å; E101-V400 HydrophobicContact CB-CG1 3.65Å; E101-K403 WeakPolarHBondContact OE1-CE 3.32Å; E101-K403 IonicContact OE1-NZ 2.97Å
102	A	89.1	Confident	86.5	Confident	20 Å²	20	45.8 Å²	45.8	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-71.3	-41.2	177.7	0	0	0	0	0	111.3	L78 E99 Y100 Y104 E105 E106 V400	L78-A102 HydrophobicContact CD1-CB 3.58Å; E99-A102 HydrophobicContact CB-CB 4.27Å; E99-A102 PolarHBondContact O-N 2.89Å; Y100-A102 VanDerWaalsContact C-N 3.3Å; Y100-A102 PolarHBondContact O-N 2.84Å; A102-Y104 VanDerWaalsContact C-N 3.27Å; A102-Y104 PolarHBondContact O-N 3.39Å; A102-E105 PolarHBondContact O-N 3.07Å; A102-E106 PolarHBondContact O-N 3.13Å; A102-V400 HydrophobicContact CB-CG1 3.9Å
103	L	93.3	Very high	87	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-32.7	174.2	-178.4	60.7	0	0	0	112.3	L78 Y81 V82 L91 L93 F97 E99 Y100 E105 E106 A107 I119	L78-L103 HydrophobicContact CD2-CB 4.45Å; Y81-L103 HydrophobicContact CD2-CD1 4.22Å; Y81-L103 HydrophobicContact CG-CD1 4.43Å; V82-L103 HydrophobicContact CG2-CD1 4.36Å; L91-L103 HydrophobicContact CD1-CD2 4.06Å; L93-L103 HydrophobicContact CD1-CD2 4.3Å; L93-L103 HydrophobicContact CD2-CD2 3.72Å; F97-L103 HydrophobicContact CE1-CB 4.3Å; F97-L103 HydrophobicContact CE1-CD2 4.11Å; F97-L103 HydrophobicContact CZ-CB 3.93Å; F97-L103 HydrophobicContact CZ-CD2 3.96Å; E99-L103 PolarHBondContact O-N 2.61Å; Y100-L103 PolarHBondContact O-N 3.13Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E106 PolarHBondContact O-N 3.38Å; L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.37Å; L103-I119 HydrophobicContact CB-CD1 4.47Å; L103-I119 HydrophobicContact CD2-CD1 4.08Å; L103-I119 HydrophobicContact CD2-CG1 4.32Å; L103-I119 HydrophobicContact CG-CD1 3.73Å; L103-I119 HydrophobicContact CG-CG1 4.47Å
104	Y	92.8	Very high	87.4	Confident	67 Å²	67	44.8 Å²	44.8	26%	0.263	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-43.9	173.7	-176.7	-89.8	0	0	0	111.3	Y100 E101 A102 E106 A107 R108 L116 I119 Q120	Y100-Y104 WeakPolarHBondContact O-CB 3.33Å; Y100-Y104 PolarHBondContact O-N 2.91Å; E101-Y104 WeakPolarHBondContact O-CB 3.38Å; E101-Y104 PolarHBondContact O-N 2.86Å; A102-Y104 VanDerWaalsContact C-N 3.27Å; A102-Y104 PolarHBondContact O-N 3.39Å; Y104-E106 VanDerWaalsContact C-N 3.33Å; Y104-E106 PolarHBondContact O-N 3.4Å; Y104-A107 PolarHBondContact O-N 3.37Å; Y104-R108 VanDerWaalsContact O-CB 3.29Å; Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 3.21Å; Y104-L116 HydrophobicContact CD1-CD2 4.45Å; Y104-L116 HydrophobicContact CD2-CD2 3.74Å; Y104-L116 HydrophobicContact CE1-CD2 4.26Å; Y104-L116 HydrophobicContact CE2-CD2 3.52Å; Y104-L116 HydrophobicContact CG-CD2 4.21Å; Y104-I119 HydrophobicContact CD2-CG2 4.1Å; Y104-Q120 VanDerWaalsContact CE2-OE1 3.28Å
105	E	91.8	Very high	88.3	Confident	40 Å²	40	41.9 Å²	41.9	19%	0.187	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-36.9	176.1	-67.8	-56.1	147.3	0	0	112.4	E101 A102 L103 R108 F109 V400	E101-E105 PolarHBondContact O-N 3.17Å; A102-E105 PolarHBondContact O-N 3.07Å; L103-E105 VanDerWaalsContact C-N 3.34Å; E105-R108 PolarHBondContact O-N 3.21Å; E105-F109 WeakPolarHBondContact O-CB 3.31Å; E105-F109 PolarHBondContact O-N 2.95Å; E105-V400 HydrophobicContact CG-CG2 4.14Å
106	E	95.2	Very high	89.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-48.5	172.2	-64	-49.4	131.5	0	0	112.1	R74 L78 V82 A102 L103 Y104 R108 F109 F110	R74-E106 IonicContact CZ-OE1 3.48Å; R74-E106 IonicContact CZ-OE2 3.14Å; R74-E106 IonicContact NE-OE1 3.23Å; R74-E106 PolarHBondContact NE-OE1 3Å; R74-E106 IonicContact NE-OE2 2.64Å; R74-E106 PolarHBondContact NE-OE2 3.09Å; R74-E106 VanDerWaalsContact NH2-CD 3.29Å; R74-E106 IonicContact NH2-OE1 3.53Å; R74-E106 PolarHBondContact NH2-OE1 3.46Å; R74-E106 IonicContact NH2-OE2 3.12Å; R74-E106 PolarHBondContact NH2-OE2 2.85Å; L78-E106 HydrophobicContact CB-CG 3.73Å; L78-E106 HydrophobicContact CD1-CG 4.03Å; V82-E106 HydrophobicContact CG2-CB 4.05Å; A102-E106 PolarHBondContact O-N 3.13Å; L103-E106 PolarHBondContact O-N 3.38Å; Y104-E106 VanDerWaalsContact C-N 3.33Å; Y104-E106 PolarHBondContact O-N 3.4Å; E106-R108 PolarHBondContact O-N 3.04Å; E106-F109 PolarHBondContact O-N 3.31Å; E106-F109 VanDerWaalsContact O-N 3.16Å; E106-F110 HydrophobicContact CB-CD2 4.44Å; E106-F110 HydrophobicContact CB-CE2 4.43Å; E106-F110 WeakPolarHBondContact O-CD2 3.47Å; E106-F110 PolarHBondContact O-N 3.41Å
107	A	94.3	Very high	90.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-36.3	178.2	0	0	0	0	0	111.8	L103 Y104 N111 V112 L115 L116 I119	L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.37Å; Y104-A107 PolarHBondContact O-N 3.37Å; A107-N111 PolarHBondContact O-N 3.29Å; A107-N111 VanDerWaalsContact O-N 3.11Å; A107-V112 PolarHBondContact O-N 3.33Å; A107-V112 VanDerWaalsContact O-N 3.09Å; A107-L115 HydrophobicContact CB-CB 4.33Å; A107-L115 HydrophobicContact CB-CD2 3.72Å; A107-L115 HydrophobicContact CB-CG 3.73Å; A107-L116 HydrophobicContact CB-CD2 3.75Å; A107-L116 HydrophobicContact CB-CG 3.92Å; A107-I119 HydrophobicContact CB-CD1 3.75Å
108	R	93	Very high	91.4	Very high	151 Å²	151	39.8 Å²	39.8	57%	0.57	19%	0.193	S	C	*	.	H	α-helix	trans	-67	-47.7	175	-173.5	-177.3	-178.2	171	2.7	111.4	Y104 E105 E106 F110 N111 L116	Y104-R108 VanDerWaalsContact O-CB 3.29Å; Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 3.21Å; E105-R108 PolarHBondContact O-N 3.21Å; E106-R108 PolarHBondContact O-N 3.04Å; R108-F110 PolarHBondContact O-N 3.01Å; R108-N111 PolarHBondContact O-N 3.22Å; R108-N111 VanDerWaalsContact O-N 3.15Å; R108-L116 HydrophobicContact CB-CD2 3.99Å
109	F	93.3	Very high	91.9	Very high	57 Å²	57	37.3 Å²	37.3	25%	0.25	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-47.3	178.3	173.8	-91.3	0	0	0	111.7	V34 V61 I72 R74 E105 E106 N111	V34-F109 WeakPolarHBondContact CG2-O 3.49Å; V61-F109 HydrophobicContact CB-CE2 4.46Å; V61-F109 HydrophobicContact CB-CZ 3.74Å; V61-F109 HydrophobicContact CG1-CE2 3.67Å; V61-F109 HydrophobicContact CG1-CZ 3.4Å; V61-F109 HydrophobicContact CG2-CZ 4.25Å; I72-F109 HydrophobicContact CG2-CE1 4.29Å; R74-F109 VanDerWaalsContact CD-CE1 3.49Å; R74-F109 HydrophobicContact CG-CD1 3.58Å; R74-F109 HydrophobicContact CG-CE1 3.29Å; R74-F109 HydrophobicContact CG-CE2 4.36Å; R74-F109 HydrophobicContact CG-CG 4.24Å; R74-F109 HydrophobicContact CG-CZ 3.7Å; E105-F109 WeakPolarHBondContact O-CB 3.31Å; E105-F109 PolarHBondContact O-N 2.95Å; E106-F109 PolarHBondContact O-N 3.31Å; E106-F109 VanDerWaalsContact O-N 3.16Å; F109-N111 PolarHBondContact O-N 3.14Å
110	F	94.4	Very high	91.9	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.4	179.5	-67.9	-66.2	0	0	0	113.8	S33 V34 L35 I72 R74 F79 V82 E106 R108 V112	S33-F110 CarbonylContact C-O 3.53Å; S33-F110 WeakPolarHBondContact CA-O 3.37Å; V34-F110 PolarHBondContact N-O 3.02Å; L35-F110 HydrophobicContact CD1-CD1 3.97Å; L35-F110 HydrophobicContact CD1-CE1 4.41Å; L35-F110 HydrophobicContact CD2-CD1 3.9Å; L35-F110 HydrophobicContact CD2-CE1 3.86Å; L35-F110 HydrophobicContact CG-CD1 3.75Å; L35-F110 HydrophobicContact CG-CE1 4.22Å; I72-F110 HydrophobicContact CD1-CE1 4.27Å; I72-F110 HydrophobicContact CG2-CE1 3.91Å; I72-F110 HydrophobicContact CG2-CZ 4.02Å; R74-F110 HydrophobicContact CB-CE2 4.42Å; R74-F110 HydrophobicContact CB-CZ 4.02Å; R74-F110 HydrophobicContact CG-CE2 4.31Å; R74-F110 HydrophobicContact CG-CZ 3.8Å; F79-F110 HydrophobicContact CD2-CD2 4.29Å; F79-F110 HydrophobicContact CD2-CE1 4.17Å; F79-F110 AromaticContact CD2-CE2 3.5Å; F79-F110 HydrophobicContact CD2-CE2 3.5Å; F79-F110 VanDerWaalsContact CD2-CE2 3.5Å; F79-F110 AromaticContact CD2-CZ 3.41Å; F79-F110 HydrophobicContact CD2-CZ 3.41Å; F79-F110 VanDerWaalsContact CD2-CZ 3.41Å; F79-F110 HydrophobicContact CE2-CD1 4.42Å; F79-F110 HydrophobicContact CE2-CD2 4.45Å; F79-F110 AromaticContact CE2-CE1 3.83Å; F79-F110 HydrophobicContact CE2-CE1 3.83Å; F79-F110 AromaticContact CE2-CE2 3.91Å; F79-F110 HydrophobicContact CE2-CE2 3.91Å; F79-F110 AromaticContact CE2-CZ 3.55Å; F79-F110 HydrophobicContact CE2-CZ 3.55Å; V82-F110 HydrophobicContact CB-CD2 4.41Å; V82-F110 HydrophobicContact CG1-CB 4.27Å; V82-F110 HydrophobicContact CG1-CD2 3.89Å; V82-F110 HydrophobicContact CG1-CG 4.19Å; V82-F110 HydrophobicContact CG2-CD2 4.04Å; V82-F110 HydrophobicContact CG2-CE2 4.45Å; E106-F110 HydrophobicContact CB-CD2 4.44Å; E106-F110 HydrophobicContact CB-CE2 4.43Å; E106-F110 WeakPolarHBondContact O-CD2 3.47Å; E106-F110 PolarHBondContact O-N 3.41Å; R108-F110 PolarHBondContact O-N 3.01Å; F110-V112 HydrophobicContact CB-CG2 3.9Å
111	N	94	Very high	91.7	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.283	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	52.4	-178.1	-162.3	69.1	0	0	0	112.6	N32 S33 V34 A107 R108 F109	N32-N111 PolarHBondContact O-ND2 3.42Å; S33-N111 WeakPolarHBondContact CA-O 3.39Å; V34-N111 HydrophobicContact CG2-CB 4.01Å; A107-N111 PolarHBondContact O-N 3.29Å; A107-N111 VanDerWaalsContact O-N 3.11Å; R108-N111 PolarHBondContact O-N 3.22Å; R108-N111 VanDerWaalsContact O-N 3.15Å; F109-N111 PolarHBondContact O-N 3.14Å
112	V	94.7	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.			trans	-103.6	86	177.8	-173.2	0	0	0	0	108.4	V82 Y85 L86 A107 F110 G114 L115 L116	V82-V112 HydrophobicContact CG1-CG2 4.33Å; Y85-V112 HydrophobicContact CD1-CG1 3.66Å; Y85-V112 HydrophobicContact CE1-CG1 3.65Å; L86-V112 HydrophobicContact CD2-CG1 4.4Å; L86-V112 HydrophobicContact CD2-CG2 4.45Å; A107-V112 PolarHBondContact O-N 3.33Å; A107-V112 VanDerWaalsContact O-N 3.09Å; F110-V112 HydrophobicContact CB-CG2 3.9Å; V112-G114 VanDerWaalsContact C-N 3.33Å; V112-G114 PolarHBondContact O-N 3.5Å; V112-L115 HydrophobicContact CB-CB 4.01Å; V112-L115 HydrophobicContact CG1-CB 3.61Å; V112-L115 WeakPolarHBondContact O-CB 3.36Å; V112-L115 PolarHBondContact O-N 2.87Å; V112-L116 PolarHBondContact O-N 3.12Å
113	D	92.3	Very high	90.8	Very high	79 Å²	79	46 Å²	46	42%	0.422	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-41	-169.1	-66.3	-33.9	0	0	0	113.1	L115 L116 Q117	D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 3.18Å; D113-L116 WeakPolarHBondContact O-CB 3.46Å; D113-L116 PolarHBondContact O-N 2.76Å; D113-Q117 PolarHBondContact O-N 3.3Å
114	G	93.2	Very high	89.8	Confident	25 Å²	25	48.5 Å²	48.5	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-35.4	177.6	0	0	0	0	0	112.8	Y85 V112 E118	Y85-G114 VanDerWaalsContact OH-CA 3.28Å; Y85-G114 WeakPolarHBondContact OH-CA 3.43Å; Y85-G114 PolarHBondContact OH-O 2.83Å; V112-G114 VanDerWaalsContact C-N 3.33Å; V112-G114 PolarHBondContact O-N 3.5Å; G114-E118 PolarHBondContact O-N 3.18Å; G114-E118 VanDerWaalsContact O-N 3.13Å
115	L	94.4	Very high	88.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-42.4	175.9	176.6	58.7	0	0	0	111.1	V82 Y85 L91 A107 V112 D113 Q117 E118 I119	V82-L115 HydrophobicContact CB-CD2 4.35Å; V82-L115 HydrophobicContact CG1-CD2 4.4Å; V82-L115 HydrophobicContact CG2-CD2 4.04Å; Y85-L115 HydrophobicContact CD1-CB 3.83Å; Y85-L115 HydrophobicContact CD2-CB 4.07Å; Y85-L115 HydrophobicContact CD2-CD1 3.74Å; Y85-L115 HydrophobicContact CD2-CG 4.42Å; Y85-L115 HydrophobicContact CE1-CB 3.91Å; Y85-L115 HydrophobicContact CE2-CB 4.15Å; Y85-L115 HydrophobicContact CE2-CD1 4.34Å; Y85-L115 HydrophobicContact CG-CB 3.92Å; Y85-L115 HydrophobicContact CG-CD1 3.95Å; Y85-L115 HydrophobicContact CG-CD2 4.34Å; Y85-L115 HydrophobicContact CG-CG 4.28Å; Y85-L115 PolarHBondContact OH-N 2.91Å; L91-L115 HydrophobicContact CB-CD1 4.41Å; L91-L115 HydrophobicContact CD1-CD1 3.71Å; L91-L115 HydrophobicContact CG-CD1 4.45Å; A107-L115 HydrophobicContact CB-CB 4.33Å; A107-L115 HydrophobicContact CB-CD2 3.72Å; A107-L115 HydrophobicContact CB-CG 3.73Å; V112-L115 HydrophobicContact CB-CB 4.01Å; V112-L115 HydrophobicContact CG1-CB 3.61Å; V112-L115 WeakPolarHBondContact O-CB 3.36Å; V112-L115 PolarHBondContact O-N 2.87Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 3.18Å; L115-Q117 VanDerWaalsContact C-N 3.29Å; L115-Q117 PolarHBondContact O-N 3.46Å; L115-E118 PolarHBondContact O-N 3.45Å; L115-I119 HydrophobicContact CD1-CD1 3.9Å; L115-I119 HydrophobicContact CD1-CG1 4.09Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.35Å; L115-I119 PolarHBondContact O-N 3.2Å
116	L	92.9	Very high	87.1	Confident	25 Å²	25	51.1 Å²	51.1	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-46.6	174.5	-78.1	170.5	0	0	0	111.4	Y104 A107 R108 V112 D113 I119 Q120	Y104-L116 HydrophobicContact CD1-CD2 4.45Å; Y104-L116 HydrophobicContact CD2-CD2 3.74Å; Y104-L116 HydrophobicContact CE1-CD2 4.26Å; Y104-L116 HydrophobicContact CE2-CD2 3.52Å; Y104-L116 HydrophobicContact CG-CD2 4.21Å; A107-L116 HydrophobicContact CB-CD2 3.75Å; A107-L116 HydrophobicContact CB-CG 3.92Å; R108-L116 HydrophobicContact CB-CD2 3.99Å; V112-L116 PolarHBondContact O-N 3.12Å; D113-L116 WeakPolarHBondContact O-CB 3.46Å; D113-L116 PolarHBondContact O-N 2.76Å; L116-I119 PolarHBondContact O-N 3.48Å; L116-Q120 WeakPolarHBondContact O-CB 3.47Å; L116-Q120 PolarHBondContact O-N 2.89Å
117	Q	91.2	Very high	85.5	Confident	117 Å²	117	52.6 Å²	52.6	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-48.6	178.4	-175.2	176.4	-2.3	0	0	111.5	D113 L115 I119 Q120 E121	D113-Q117 PolarHBondContact O-N 3.3Å; L115-Q117 VanDerWaalsContact C-N 3.29Å; L115-Q117 PolarHBondContact O-N 3.46Å; Q117-I119 VanDerWaalsContact C-N 3.33Å; Q117-I119 PolarHBondContact O-N 3.17Å; Q117-Q120 PolarHBondContact O-N 3.05Å; Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.46Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 WeakPolarHBondContact O-CB 3.39Å; Q117-E121 WeakPolarHBondContact O-CG 3.46Å; Q117-E121 PolarHBondContact O-N 2.55Å
118	E	92.4	Very high	83.2	Confident	58 Å²	58	58.7 Å²	58.7	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-38.2	179.4	-77.2	-167.7	-142.9	0	0	112.9	Y85 L91 G114 L115 R122	Y85-E118 WeakPolarHBondContact CE2-OE1 3.46Å; L91-E118 WeakPolarHBondContact CA-OE2 3.25Å; L91-E118 HydrophobicContact CB-CB 4.01Å; L91-E118 WeakPolarHBondContact CB-OE2 3.27Å; L91-E118 HydrophobicContact CD2-CB 4.06Å; L91-E118 PolarHBondContact N-OE2 3.11Å; G114-E118 PolarHBondContact O-N 3.18Å; G114-E118 VanDerWaalsContact O-N 3.13Å; L115-E118 PolarHBondContact O-N 3.45Å; E118-R122 WeakPolarHBondContact O-CB 3.31Å; E118-R122 PolarHBondContact O-N 3.09Å
119	I	88.5	Confident	81.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-49.1	175.5	-65.8	163	0	0	0	110	L91 L103 Y104 A107 L115 L116 Q117 E121 R122 I123	L91-I119 HydrophobicContact CD2-CB 4.44Å; L91-I119 HydrophobicContact CD2-CG1 3.69Å; L103-I119 HydrophobicContact CB-CD1 4.47Å; L103-I119 HydrophobicContact CD2-CD1 4.08Å; L103-I119 HydrophobicContact CD2-CG1 4.32Å; L103-I119 HydrophobicContact CG-CD1 3.73Å; L103-I119 HydrophobicContact CG-CG1 4.47Å; Y104-I119 HydrophobicContact CD2-CG2 4.1Å; A107-I119 HydrophobicContact CB-CD1 3.75Å; L115-I119 HydrophobicContact CD1-CD1 3.9Å; L115-I119 HydrophobicContact CD1-CG1 4.09Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.35Å; L115-I119 PolarHBondContact O-N 3.2Å; L116-I119 PolarHBondContact O-N 3.48Å; Q117-I119 VanDerWaalsContact C-N 3.33Å; Q117-I119 PolarHBondContact O-N 3.17Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.3Å; I119-R122 WeakPolarHBondContact O-CB 3.42Å; I119-R122 PolarHBondContact O-N 3.23Å; I119-R122 VanDerWaalsContact O-N 3.08Å; I119-I123 HydrophobicContact CG2-CD1 3.85Å; I119-I123 HydrophobicContact CG2-CG1 4.41Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.25Å
120	Q	85.1	Confident	78.7	Confident	81 Å²	81	52.4 Å²	52.4	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-43.5	-179.3	-162.7	73.1	4.3	0	0	111.3	Y104 L116 Q117 R122 I123 A124	Y104-Q120 VanDerWaalsContact CE2-OE1 3.28Å; L116-Q120 WeakPolarHBondContact O-CB 3.47Å; L116-Q120 PolarHBondContact O-N 2.89Å; Q117-Q120 PolarHBondContact O-N 3.05Å; Q120-R122 VanDerWaalsContact C-N 3.3Å; Q120-R122 PolarHBondContact O-N 3.43Å; Q120-I123 PolarHBondContact O-N 2.96Å; Q120-A124 VanDerWaalsContact O-CB 3.29Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 2.84Å
121	E	82.5	Confident	75.9	Confident	107 Å²	107	59.5 Å²	59.5	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-38.8	174.7	-74.9	176.4	-171.2	0	0	111.5	Q117 I119 A124 Y125	Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.46Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 WeakPolarHBondContact O-CB 3.39Å; Q117-E121 WeakPolarHBondContact O-CG 3.46Å; Q117-E121 PolarHBondContact O-N 2.55Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.3Å; E121-A124 PolarHBondContact O-N 3.37Å; E121-Y125 WeakPolarHBondContact O-CB 3.33Å; E121-Y125 PolarHBondContact O-N 3.34Å
122	R	80.3	Confident	73.2	Confident	77 Å²	77	60.8 Å²	60.8	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-41	175.5	-131.2	70.1	173	101.3	-10.3	112.6	Y100 E118 I119 Q120 R126 R151	Y100-R122 HydrophobicContact CE1-CB 4.19Å; Y100-R122 HydrophobicContact CE1-CG 4.21Å; E118-R122 WeakPolarHBondContact O-CB 3.31Å; E118-R122 PolarHBondContact O-N 3.09Å; I119-R122 WeakPolarHBondContact O-CB 3.42Å; I119-R122 PolarHBondContact O-N 3.23Å; I119-R122 VanDerWaalsContact O-N 3.08Å; Q120-R122 VanDerWaalsContact C-N 3.3Å; Q120-R122 PolarHBondContact O-N 3.43Å; R122-R126 WeakPolarHBondContact O-CB 3.36Å; R122-R126 WeakPolarHBondContact O-CG 3.25Å; R122-R126 PolarHBondContact O-N 2.88Å; R122-R151 VanDerWaalsContact NE-CZ 3.34Å
123	I	77	Confident	70.7	Confident	26 Å²	26	66.4 Å²	66.4	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-49.4	175.3	-66.6	169	0	0	0	109.6	Y100 I119 Q120 Y125 R126 A127	Y100-I123 HydrophobicContact CD1-CG1 4.44Å; Y100-I123 HydrophobicContact CG-CG1 4.35Å; I119-I123 HydrophobicContact CG2-CD1 3.85Å; I119-I123 HydrophobicContact CG2-CG1 4.41Å; I119-I123 WeakPolarHBondContact O-CG1 3.37Å; I119-I123 PolarHBondContact O-N 3.25Å; Q120-I123 PolarHBondContact O-N 2.96Å; I123-Y125 PolarHBondContact O-N 2.74Å; I123-R126 PolarHBondContact O-N 2.94Å; I123-A127 PolarHBondContact O-N 2.92Å
124	A	73.2	Confident	67.9	Low	53 Å²	53	67.2 Å²	67.2	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-44.3	179.8	0	0	0	0	0	111.6	Q120 E121 R126 A127 K128	Q120-A124 VanDerWaalsContact O-CB 3.29Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 2.84Å; E121-A124 PolarHBondContact O-N 3.37Å; A124-R126 PolarHBondContact O-N 3.4Å; A124-A127 CarbonylContact O-C 3.56Å; A124-A127 WeakPolarHBondContact O-CA 3.31Å; A124-A127 WeakPolarHBondContact O-CB 3.35Å; A124-A127 PolarHBondContact O-N 3Å; A124-A127 VanDerWaalsContact O-N 3.1Å; A124-K128 WeakPolarHBondContact O-CB 3.43Å; A124-K128 PolarHBondContact O-N 3.29Å
125	Y	65.5	Low	64.8	Low	94 Å²	94	70.9 Å²	70.9	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-45.4	175.8	178.4	-94.7	0	0	0	111.9	E121 I123 A127 K128 S129 L148	E121-Y125 WeakPolarHBondContact O-CB 3.33Å; E121-Y125 PolarHBondContact O-N 3.34Å; I123-Y125 PolarHBondContact O-N 2.74Å; Y125-A127 PolarHBondContact O-N 2.93Å; Y125-K128 PolarHBondContact O-N 2.99Å; Y125-K128 VanDerWaalsContact O-N 3.16Å; Y125-S129 PolarHBondContact O-N 3.19Å; Y125-S129 PolarHBondContact O-OG 2.92Å; Y125-L148 WeakPolarHBondContact OH-CD2 3.43Å
126	R	62.7	Low	61.7	Low	68 Å²	68	77.9 Å²	77.9	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-33.2	174.2	-77.1	179.6	171.1	-130.6	-4.1	112	Y100 R122 I123 A124 D153	Y100-R126 VanDerWaalsContact OH-CZ 3.3Å; Y100-R126 PolarHBondContact OH-NE 2.99Å; Y100-R126 PolarHBondContact OH-NH2 3.25Å; R122-R126 WeakPolarHBondContact O-CB 3.36Å; R122-R126 WeakPolarHBondContact O-CG 3.25Å; R122-R126 PolarHBondContact O-N 2.88Å; I123-R126 PolarHBondContact O-N 2.94Å; A124-R126 PolarHBondContact O-N 3.4Å; R126-D153 IonicContact CZ-OD2 2.68Å; R126-D153 IonicContact NH1-OD2 2.66Å; R126-D153 PolarHBondContact NH1-OD2 3.4Å; R126-D153 IonicContact NH2-OD2 3.44Å; R126-D153 PolarHBondContact NH2-OD2 3.5Å
127	A	60.4	Low	58.7	Low	33 Å²	33	82.4 Å²	82.4	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-77.8	-33.2	174.6	0	0	0	0	0	113.5	I123 A124 Y125	I123-A127 PolarHBondContact O-N 2.92Å; A124-A127 CarbonylContact O-C 3.56Å; A124-A127 WeakPolarHBondContact O-CA 3.31Å; A124-A127 WeakPolarHBondContact O-CB 3.35Å; A124-A127 PolarHBondContact O-N 3Å; A124-A127 VanDerWaalsContact O-N 3.1Å; Y125-A127 PolarHBondContact O-N 2.93Å
128	K	47	Very low	55.8	Low	128 Å²	128	88.5 Å²	88.5	56%	0.557	44%	0.439	S	S	*	.	H	α-helix	trans	-77.8	-38.1	-177.4	-121.8	-174.8	178.8	-174.4	0	113.3	A124 Y125 A130 R131 D132	A124-K128 WeakPolarHBondContact O-CB 3.43Å; A124-K128 PolarHBondContact O-N 3.29Å; Y125-K128 PolarHBondContact O-N 2.99Å; Y125-K128 VanDerWaalsContact O-N 3.16Å; K128-A130 PolarHBondContact O-N 2.68Å; K128-R131 PolarHBondContact O-N 2.88Å; K128-D132 PolarHBondContact O-N 3.16Å
129	S	48.4	Very low	52.6	Low	58 Å²	58	91 Å²	91	41%	0.406	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-13.7	172.5	-64.4	0	0	0	0	113.3	Y125	Y125-S129 PolarHBondContact O-N 3.19Å; Y125-S129 PolarHBondContact O-OG 2.92Å
130	A	41.8	Very low	49.7	Very low	17 Å²	17	94.1 Å²	94.1	14%	0.14	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-14.1	176.1	0	0	0	0	0	113.8	K128 Y281	K128-A130 PolarHBondContact O-N 2.68Å; A130-Y281 HydrophobicContact CB-CD1 4.48Å; A130-Y281 HydrophobicContact CB-CE1 3.4Å; A130-Y281 WeakPolarHBondContact CB-OH 3.17Å
131	R	35.8	Very low	46.9	Very low	151 Å²	151	99.7 Å²	99.7	57%	0.57	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-39.8	176.3	-64.4	-173.5	-161.4	173.9	4.8	113.7	K128 I133 S134	K128-R131 PolarHBondContact O-N 2.88Å; R131-I133 PolarHBondContact O-N 2.83Å; R131-I133 VanDerWaalsContact O-N 3.07Å; R131-S134 PolarHBondContact O-N 3.28Å; R131-S134 VanDerWaalsContact O-N 3.16Å; R131-S134 PolarHBondContact O-OG 3.26Å
132	D	37	Very low	44.2	Very low	79 Å²	79	104 Å²	104	42%	0.422	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	7	-173.3	-73.3	-27.8	0	0	0	114.5	K128 S134	K128-D132 PolarHBondContact O-N 3.16Å; D132-S134 VanDerWaalsContact C-N 3.31Å
133	I	43.9	Very low	41.6	Very low	118 Å²	118	105.5 Å²	105.5	61%	0.605	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-12.3	166	-77.1	163.3	0	0	0	111.9	R131 L535	R131-I133 PolarHBondContact O-N 2.83Å; R131-I133 VanDerWaalsContact O-N 3.07Å; I133-L535 HydrophobicContact CD1-CD1 4.19Å; I133-L535 HydrophobicContact CG2-CD1 3.96Å
134	S	32.1	Very low	39.2	Very low	96 Å²	96	112.6 Å²	112.6	67%	0.671	59%	0.594	S	S	*	*	S	Bend	trans	-93.3	-2.8	179.3	65.4	0	0	0	0	115.5	R131 D132	R131-S134 PolarHBondContact O-N 3.28Å; R131-S134 VanDerWaalsContact O-N 3.16Å; R131-S134 PolarHBondContact O-OG 3.26Å; D132-S134 VanDerWaalsContact C-N 3.31Å
135	T	27.9	Very low	36.9	Very low	102 Å²	102	113.6 Å²	113.6	63%	0.626	60%	0.597	S	S	*	*	S	Bend	trans	-137.5	19.8	-169	38	0	0	0	0	117.2
136	I	29.9	Very low	34.9	Very low	147 Å²	147	116.1 Å²	116.1	75%	0.754	62%	0.617	S	S	*	*			trans	-124.2	87.8	172	-51.3	178	0	0	0	110.8
137	D	31.1	Very low	33.2	Very low	120 Å²	120	119 Å²	119	64%	0.642	64%	0.643	S	S	*	*				-164.4	94.5	128.2	-162.2	0.2	0	0	0	111	S139	D137-S139 PolarHBondContact OD1-N 3.04Å
138	R	29	Very low	31.7	Very low	245 Å²	245	122.4 Å²	122.4	93%	0.925	66%	0.656	S	S	*	*	S	Bend	trans	-137.3	81.1	150.4	-77.9	-167.9	-175.7	-180	2.8	107
139	S	26.5	Very low	30.8	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	67%	0.67	S	S	*	*	S	Bend	trans	129.9	115.5	152	66.2	0	0	0	0	113.2	D137	D137-S139 PolarHBondContact OD1-N 3.04Å
140	G	26.9	Very low	30.1	Very low	67 Å²	67	123.7 Å²	123.7	69%	0.691	68%	0.677	S	S	*	*			trans	63	101.1	135	0	0	0	0	0	117.3
141	E	25.7	Very low	30	Very low	197 Å²	197	127.2 Å²	127.2	92%	0.921	69%	0.687	S	S	*	*			trans	60.5	74.9	135.1	-154.5	169.8	-157.3	0	0	115.7
142	F	27	Very low	30.6	Very low	198 Å²	198	120.7 Å²	120.7	87%	0.868	66%	0.664	S	S	*	*			trans	-146.9	134.9	154	-141.8	-98.8	0	0	0	112.7	L144	F142-L144 PolarHBondContact O-N 3.27Å
143	T	24.2	Very low	31.2	Very low	109 Å²	109	119.8 Å²	119.8	67%	0.669	66%	0.66	S	S	*	*			trans	-65.5	101.2	-177.6	30.7	0	0	0	0	112.2	C145	T143-C145 VanDerWaalsContact C-N 3.29Å; T143-C145 PolarHBondContact O-N 2.85Å
144	L	27.8	Very low	31.7	Very low	174 Å²	174	115.4 Å²	115.4	91%	0.911	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	65.9	174.3	-156.2	90.4	0	0	0	111.2	F142	F142-L144 PolarHBondContact O-N 3.27Å
145	C	24.1	Very low	33.5	Very low	74 Å²	74	111.9 Å²	111.9	50%	0.5	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.6	-7.2	176.7	62.6	0	0	0	0	117.9	T143	T143-C145 VanDerWaalsContact C-N 3.29Å; T143-C145 PolarHBondContact O-N 2.85Å
146	D	24.1	Very low	36.1	Very low	148 Å²	148	107.1 Å²	107.1	79%	0.791	59%	0.589	S	S	*	*	S	Bend	trans	-125.4	12.8	-164	-84.6	-20.9	0	0	0	118.2
147	T	26.3	Very low	39	Very low	128 Å²	128	100.4 Å²	100.4	79%	0.785	55%	0.554	S	S	*	*	S	Bend	trans	-125.1	17.2	-174.2	32.6	0	0	0	0	118
148	L	30.3	Very low	42	Very low	105 Å²	105	94.7 Å²	94.7	55%	0.55	52%	0.524	S	S	.	.			trans	-133.1	85.8	175.8	-61.5	175.7	0	0	0	112.7	Y125 G150	Y125-L148 WeakPolarHBondContact OH-CD2 3.43Å; L148-G150 PolarHBondContact O-N 3.3Å
149	D	28.1	Very low	45.1	Very low	158 Å²	158	83 Å²	83	85%	0.845	48%	0.48	S	S	*	.			trans	-57.5	112.6	161.3	-78.6	-35.9	0	0	0	110.8	R151	D149-R151 VanDerWaalsContact C-N 3.28Å; D149-R151 PolarHBondContact O-N 3.46Å
150	G	32.8	Very low	48.4	Very low	55 Å²	55	77.8 Å²	77.8	57%	0.567	44%	0.443	S	S	*	.	S	Bend	trans	63.7	-1.8	135.7	0	0	0	0	0	120.9	L148 S152	L148-G150 PolarHBondContact O-N 3.3Å; G150-S152 PolarHBondContact O-N 2.99Å
151	R	40.4	Very low	51.5	Low	91 Å²	91	74.7 Å²	74.7	34%	0.343	41%	0.411	S	S	.	.			trans	-96.7	100.8	-176.1	-76.4	-174.7	161.9	-145.4	1	112.5	R122 D149	R122-R151 VanDerWaalsContact NE-CZ 3.34Å; D149-R151 VanDerWaalsContact C-N 3.28Å; D149-R151 PolarHBondContact O-N 3.46Å
152	S	48.5	Very low	54.6	Low	14 Å²	14	66.1 Å²	66.1	10%	0.098	37%	0.37	C	S	.	.			trans	-104.4	6.4	-166.2	57	0	0	0	0	115.6	G150 G154 E195 R277	G150-S152 PolarHBondContact O-N 2.99Å; S152-G154 PolarHBondContact O-N 2.91Å; S152-E195 WeakPolarHBondContact CB-OE2 3.4Å; S152-E195 WeakPolarHBondContact OG-CB 3.47Å; S152-E195 WeakPolarHBondContact OG-CG 3.47Å; S152-E195 PolarHBondContact OG-OE2 3.07Å; S152-R277 PolarHBondContact O-NH2 2.89Å
153	D	48.8	Very low	57.3	Low	60 Å²	60	59.1 Å²	59.1	32%	0.321	34%	0.338	S	S	.	.			trans	-60.6	4.1	177.3	-80.5	-3	0	0	0	116.1	R126	R126-D153 IonicContact CZ-OD2 2.68Å; R126-D153 IonicContact NH1-OD2 2.66Å; R126-D153 PolarHBondContact NH1-OD2 3.4Å; R126-D153 IonicContact NH2-OD2 3.44Å; R126-D153 PolarHBondContact NH2-OD2 3.5Å
154	G	55.4	Low	60.1	Low	25 Å²	25	54 Å²	54	26%	0.258	31%	0.307	S	S	.	.	S	Bend	trans	-71.1	165.7	175.9	0	0	0	0	0	113.2	S152 R277	S152-G154 PolarHBondContact O-N 2.91Å; G154-R277 PolarHBondContact O-NE 3.47Å; G154-R277 PolarHBondContact O-NH2 3Å
155	P	69	Low	62.6	Low	23 Å²	23	46 Å²	46	15%	0.149	27%	0.265	C	S	.	.			trans	-57.1	158.6	170.6	32	-40.8	0	0	0	110	F276 R277 V279	P155-F276 HydrophobicContact CB-CE2 4.49Å; P155-R277 CarbonylContact C-O 3.56Å; P155-R277 WeakPolarHBondContact CA-O 3.48Å; P155-R277 WeakPolarHBondContact CB-O 2.84Å; P155-V279 HydrophobicContact CB-CG2 3.63Å; P155-V279 HydrophobicContact CG-CB 4.36Å; P155-V279 HydrophobicContact CG-CG2 3.2Å
156	G	82.8	Confident	65.1	Low	1 Å²	1	45.7 Å²	45.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	157.5	174.2	0	0	0	0	0	112.4	F238 F276 R277 D531	G156-F238 VanDerWaalsContact O-CE1 3.28Å; G156-F238 WeakPolarHBondContact O-CE1 3.48Å; G156-F276 WeakPolarHBondContact O-CD2 3.36Å; G156-R277 PolarHBondContact N-O 3.24Å; G156-R277 PolarHBondContact O-N 3.05Å; G156-D531 VanDerWaalsContact CA-OD1 3.3Å; G156-D531 WeakPolarHBondContact CA-OD1 3.42Å
157	H	90.8	Very high	67.1	Low	6 Å²	6	40.9 Å²	40.9	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.8	168.1	-62.9	80.9	0	0	0	110.8	F275 F276 E527 F530 D531	H157-F275 VanDerWaalsContact CA-O 3.28Å; H157-F275 WeakPolarHBondContact CA-O 3.11Å; H157-F276 AromaticContact CD2-CD2 3.58Å; H157-F276 AromaticContact CD2-CG 3.93Å; H157-F276 AromaticContact CE1-CD2 3.17Å; H157-F276 WeakPolarHBondContact CE1-CD2 2.83Å; H157-F276 AromaticContact CE1-CE2 3.41Å; H157-F276 VanDerWaalsContact CE1-CE2 3.41Å; H157-F276 WeakPolarHBondContact CE1-CE2 2.98Å; H157-F276 AromaticContact CG-CD2 3.96Å; H157-F276 AromaticContact ND1-CD2 3.7Å; H157-F276 AromaticContact NE2-CD2 3.09Å; H157-F276 WeakPolarHBondContact NE2-CD2 3.44Å; H157-F276 AromaticContact NE2-CE2 3.73Å; H157-F276 AromaticContact NE2-CG 3.5Å; H157-E527 HydrophobicContact CB-CB 4.27Å; H157-E527 HydrophobicContact CB-CG 4.33Å; H157-F530 HydrophobicContact CB-CB 4.22Å; H157-F530 HydrophobicContact CB-CD2 4.36Å; H157-F530 AromaticContact CD2-CD2 3.5Å; H157-F530 VanDerWaalsContact CD2-CD2 3.5Å; H157-F530 WeakPolarHBondContact CD2-CD2 3.47Å; H157-F530 AromaticContact CG-CD2 3.89Å; H157-F530 WeakPolarHBondContact ND1-CB 3.32Å; H157-F530 AromaticContact NE2-CD2 3.92Å; H157-D531 IonicContact CE1-OD1 2.74Å; H157-D531 IonicContact CG-OD1 3.75Å; H157-D531 PolarHBondContact N-OD1 2.85Å; H157-D531 VanDerWaalsContact N-OD1 3.09Å; H157-D531 IonicContact ND1-OD1 2.91Å; H157-D531 PolarHBondContact ND1-OD1 3.29Å
158	I	94.3	Very high	69	Low	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.3	170.7	-67.3	177.8	0	0	0	107.5	I160 V186 C187 T192 V196 F197 L233 F238 F275	I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.38Å; I158-V186 HydrophobicContact CG2-CG1 4.06Å; I158-C187 CarbonylContact C-O 3.51Å; I158-C187 WeakPolarHBondContact CA-O 3.42Å; I158-T192 HydrophobicContact CD1-CG2 4.11Å; I158-T192 HydrophobicContact CG1-CG2 4.42Å; I158-V196 HydrophobicContact CD1-CB 4.35Å; I158-V196 HydrophobicContact CD1-CG2 3.85Å; I158-F197 HydrophobicContact CD1-CE2 4.31Å; I158-F197 HydrophobicContact CG2-CE2 4.18Å; I158-L233 HydrophobicContact CB-CD2 4.21Å; I158-L233 HydrophobicContact CD1-CD2 3.82Å; I158-L233 HydrophobicContact CG2-CD2 4.21Å; I158-F238 HydrophobicContact CB-CE1 4.28Å; I158-F238 HydrophobicContact CD1-CD1 4.46Å; I158-F238 HydrophobicContact CD1-CE1 3.83Å; I158-F238 HydrophobicContact CD1-CE2 4.26Å; I158-F238 HydrophobicContact CD1-CZ 3.74Å; I158-F238 HydrophobicContact CG1-CE1 3.81Å; I158-F238 HydrophobicContact CG1-CZ 4.15Å; I158-F275 PolarHBondContact N-O 3Å; I158-F275 WeakPolarHBondContact O-CB 3.3Å; I158-F275 PolarHBondContact O-N 3.07Å
159	T	94.6	Very high	70.3	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.2	171	-54	0	0	0	0	110.1	C187 E272 F273 V274 E527	T159-C187 PolarHBondContact N-O 3.49Å; T159-C187 PolarHBondContact O-N 2.81Å; T159-E272 HydrophobicContact CG2-CG 3.37Å; T159-F273 CarbonylContact C-O 3.51Å; T159-F273 WeakPolarHBondContact CA-O 3.48Å; T159-V274 HydrophobicContact CG2-CG2 4.08Å; T159-E527 WeakPolarHBondContact CB-OE1 3.4Å; T159-E527 PolarHBondContact OG1-OE1 3.1Å
160	I	95.1	Very high	71.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	172.6	-57.8	-59.1	0	0	0	108.6	I158 I184 L185 V186 F197 L226 F230 L233 E272 F273 F275	I158-I160 HydrophobicContact CG2-CD1 3.9Å; I158-I160 HydrophobicContact CG2-CG1 4.38Å; I160-I184 HydrophobicContact CG2-CG2 3.52Å; I160-L185 WeakPolarHBondContact CA-O 3.22Å; I160-V186 HydrophobicContact CD1-CB 4.39Å; I160-V186 HydrophobicContact CD1-CG1 4.24Å; I160-V186 HydrophobicContact CD1-CG2 3.89Å; I160-F197 HydrophobicContact CD1-CE2 4.18Å; I160-F197 HydrophobicContact CD1-CZ 3.75Å; I160-L226 HydrophobicContact CG2-CD1 4.32Å; I160-F230 HydrophobicContact CB-CE1 4.36Å; I160-F230 HydrophobicContact CG2-CE1 4.12Å; I160-L233 HydrophobicContact CD1-CD1 4.24Å; I160-L233 HydrophobicContact CG1-CD1 3.8Å; I160-E272 CarbonylContact O-C 3.53Å; I160-E272 WeakPolarHBondContact O-CA 3.4Å; I160-F273 HydrophobicContact CB-CB 4.42Å; I160-F273 PolarHBondContact N-O 2.99Å; I160-F273 PolarHBondContact O-N 2.73Å; I160-F275 HydrophobicContact CB-CE2 4.33Å; I160-F275 HydrophobicContact CG1-CD2 4.11Å; I160-F275 HydrophobicContact CG1-CE2 3.99Å
161	G	91.3	Very high	72.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.9	177.3	0	0	0	0	0	111.4	L185 N271	G161-L185 PolarHBondContact N-O 3.04Å; G161-L185 WeakPolarHBondContact O-CA 3.49Å; G161-L185 WeakPolarHBondContact O-CB 3.25Å; G161-L185 PolarHBondContact O-N 2.96Å; G161-N271 CarbonylContact C-O 3.58Å; G161-N271 VanDerWaalsContact CA-O 3.24Å; G161-N271 WeakPolarHBondContact CA-O 3.49Å
162	Y	90.3	Very high	72.9	Confident	17 Å²	17	44.2 Å²	44.2	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151.1	169.1	72.7	-102.1	0	0	0	112	L181 L226 H269 Y270 N271 F273	Y162-L181 HydrophobicContact CD1-CD2 4.22Å; Y162-L181 HydrophobicContact CD2-CD2 3.03Å; Y162-L181 HydrophobicContact CD2-CG 4.47Å; Y162-L181 HydrophobicContact CE1-CD2 4.27Å; Y162-L181 HydrophobicContact CE2-CD2 3.15Å; Y162-L181 HydrophobicContact CG-CD2 3.59Å; Y162-L226 HydrophobicContact CD1-CD1 3.43Å; Y162-L226 VanDerWaalsContact CD1-CD1 3.43Å; Y162-L226 HydrophobicContact CD1-CD2 4.43Å; Y162-L226 HydrophobicContact CE1-CD1 3.69Å; Y162-L226 HydrophobicContact CE1-CD2 3.81Å; Y162-L226 HydrophobicContact CE1-CG 4.4Å; Y162-L226 HydrophobicContact CG-CD1 4.44Å; Y162-H269 AromaticContact CE2-NE2 3.75Å; Y162-Y270 WeakPolarHBondContact O-CA 3.46Å; Y162-Y270 WeakPolarHBondContact O-CD2 3.42Å; Y162-N271 HydrophobicContact CD1-CB 4.05Å; Y162-N271 HydrophobicContact CE1-CB 3.66Å; Y162-N271 HydrophobicContact CE2-CB 4.13Å; Y162-N271 PolarHBondContact N-O 3.16Å; Y162-N271 PolarHBondContact O-N 3.46Å; Y162-N271 PolarHBondContact OH-ND2 2.86Å; Y162-F273 HydrophobicContact CD1-CE2 4.13Å; Y162-F273 AromaticContact CE1-CE2 3.74Å; Y162-F273 HydrophobicContact CE1-CE2 3.74Å; Y162-F273 HydrophobicContact CE1-CZ 4.38Å
163	R	84.4	Confident	73	Confident	52 Å²	52	51.1 Å²	51.1	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.3	162.7	-175.9	-178.9	174.5	150.3	5.2	109	N268 H269 F466	R163-N268 VanDerWaalsContact NH2-CG 3.29Å; R163-N268 PolarHBondContact NH2-ND2 3.49Å; R163-H269 WeakPolarHBondContact CA-O 3.42Å; R163-F466 HydrophobicContact CG-CE1 4.47Å
164	G	83	Confident	72.8	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.9	-178.8	0	0	0	0	0	112.1	K180 N268 H269	G164-K180 CarbonylContact C-O 3.56Å; G164-K180 WeakPolarHBondContact CA-O 3.45Å; G164-N268 CarbonylContact O-C 3.52Å; G164-N268 VanDerWaalsContact O-CA 3.23Å; G164-N268 WeakPolarHBondContact O-CA 3.46Å; G164-H269 PolarHBondContact N-O 3.04Å; G164-H269 PolarHBondContact O-N 2.85Å; G164-H269 PolarHBondContact O-ND1 3.24Å
165	S	81.1	Confident	72.8	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.028	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-178.6	166.5	-171.2	0	0	0	0	109.8	K180 E264 W267	S165-K180 PolarHBondContact N-O 3.25Å; S165-K180 PolarHBondContact O-N 3.3Å; S165-E264 PolarHBondContact OG-O 3.1Å; S165-W267 WeakPolarHBondContact OG-CB 3.19Å
166	F	75.8	Confident	72	Confident	69 Å²	69	63.6 Å²	63.6	30%	0.303	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133	171.6	-65.7	-71.5	0	0	0	110.4	F168 N177 W267	F166-F168 HydrophobicContact CB-CE2 4.42Å; F166-F168 HydrophobicContact CB-CZ 4.22Å; F166-F168 WeakPolarHBondContact O-CE2 3.44Å; F166-N177 HydrophobicContact CB-CB 4.45Å; F166-N177 HydrophobicContact CD1-CB 4.32Å; F166-W267 HydrophobicContact CB-CB 4.42Å; F166-W267 HydrophobicContact CD2-CB 4.04Å; F166-W267 HydrophobicContact CD2-CD2 4.25Å; F166-W267 AromaticContact CD2-CE3 3.87Å; F166-W267 HydrophobicContact CD2-CE3 3.87Å; F166-W267 HydrophobicContact CD2-CG 4.36Å; F166-W267 HydrophobicContact CE2-CE3 4.27Å
167	T	67	Low	71	Confident	46 Å²	46	68 Å²	68	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.7	169.2	45	0	0	0	0	109.8	F178 K180	T167-F178 PolarHBondContact N-O 3.4Å; T167-F178 PolarHBondContact OG1-O 2.84Å; T167-F178 VanDerWaalsContact OG1-O 3.06Å; T167-K180 HydrophobicContact CG2-CB 3.99Å; T167-K180 HydrophobicContact CG2-CD 3.74Å; T167-K180 HydrophobicContact CG2-CG 4.32Å
168	F	65.5	Low	70.1	Confident	80 Å²	80	74.1 Å²	74.1	35%	0.351	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-93.1	130.8	172.8	-62.4	-79.5	0	0	0	108.8	F166 W267	F166-F168 HydrophobicContact CB-CE2 4.42Å; F166-F168 HydrophobicContact CB-CZ 4.22Å; F166-F168 WeakPolarHBondContact O-CE2 3.44Å; F168-W267 AromaticContact CE2-CD1 3.3Å; F168-W267 HydrophobicContact CE2-CG 4.03Å; F168-W267 AromaticContact CE2-NE1 3.6Å; F168-W267 AromaticContact CZ-CD1 3.28Å; F168-W267 HydrophobicContact CZ-CD2 4.1Å; F168-W267 AromaticContact CZ-CE2 3.68Å; F168-W267 AromaticContact CZ-CG 3.85Å; F168-W267 HydrophobicContact CZ-CG 3.85Å; F168-W267 HydrophobicContact CZ-CZ2 4.41Å; F168-W267 AromaticContact CZ-NE1 3.14Å
169	G	57.4	Low	69.4	Low	36 Å²	36	78.7 Å²	78.7	37%	0.371	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.9	153.7	171.7	0	0	0	0	0	111.2
170	R	54.6	Low	68.8	Low	235 Å²	235	82.4 Å²	82.4	89%	0.887	43%	0.43	S	S	*	.	S	Bend	trans	-58	141.5	173	-80.4	-177.7	177.5	165.5	-0.3	110	G172	R170-G172 PolarHBondContact O-N 3.36Å; R170-G172 VanDerWaalsContact O-N 3.12Å
171	N	48.1	Very low	68.2	Low	177 Å²	177	83.4 Å²	83.4	95%	0.947	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-27.5	108.3	-178.7	-64.7	-2.9	0	0	0	113.8
172	G	52.8	Low	67.5	Low	79 Å²	79	87.3 Å²	87.3	81%	0.814	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.4	-13.1	172.7	0	0	0	0	0	116.4	R170	R170-G172 PolarHBondContact O-N 3.36Å; R170-G172 VanDerWaalsContact O-N 3.12Å
173	Q	50.4	Low	67.4	Low	160 Å²	160	90.4 Å²	90.4	75%	0.748	47%	0.467	S	S	*	.			trans	-103.7	83.1	170.4	-73.9	-169.4	-39.1	0	0	110.4	E175	Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 2.92Å
174	A	46.2	Very low	67.8	Low	102 Å²	102	88 Å²	88	84%	0.843	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	18.4	-167.8	0	0	0	0	0	116.3
175	E	53.5	Low	68.2	Low	185 Å²	185	88.1 Å²	88.1	86%	0.864	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	2	-172.8	-71.5	-171.1	168.8	0	0	117.5	Q173	Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 2.92Å
176	V	52.4	Low	68.8	Low	82 Å²	82	88 Å²	88	50%	0.497	46%	0.457	S	S	.	.			trans	-126.1	94.3	-178.8	-159.7	0	0	0	0	111.5	F178	V176-F178 HydrophobicContact CB-CE2 4.08Å; V176-F178 HydrophobicContact CB-CZ 4.33Å; V176-F178 HydrophobicContact CG1-CD1 4.45Å; V176-F178 HydrophobicContact CG1-CD2 4.1Å; V176-F178 HydrophobicContact CG1-CE1 3.82Å; V176-F178 HydrophobicContact CG1-CE2 3.4Å; V176-F178 VanDerWaalsContact CG1-CE2 3.4Å; V176-F178 HydrophobicContact CG1-CZ 3.25Å
177	N	62.3	Low	69.6	Low	93 Å²	93	84.7 Å²	84.7	50%	0.497	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-91.1	116.3	172.7	-65.6	-27.6	0	0	0	109.1	F166	F166-N177 HydrophobicContact CB-CB 4.45Å; F166-N177 HydrophobicContact CD1-CB 4.32Å
178	F	71.7	Confident	70.8	Confident	135 Å²	135	82.5 Å²	82.5	59%	0.592	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.8	175.7	-62.8	-83	0	0	0	110.8	T167 V176 K180	T167-F178 PolarHBondContact N-O 3.4Å; T167-F178 PolarHBondContact OG1-O 2.84Å; T167-F178 VanDerWaalsContact OG1-O 3.06Å; V176-F178 HydrophobicContact CB-CE2 4.08Å; V176-F178 HydrophobicContact CB-CZ 4.33Å; V176-F178 HydrophobicContact CG1-CD1 4.45Å; V176-F178 HydrophobicContact CG1-CD2 4.1Å; V176-F178 HydrophobicContact CG1-CE1 3.82Å; V176-F178 HydrophobicContact CG1-CE2 3.4Å; V176-F178 VanDerWaalsContact CG1-CE2 3.4Å; V176-F178 HydrophobicContact CG1-CZ 3.25Å; F178-K180 PolarHBondContact O-N 2.77Å
179	R	79.7	Confident	71.8	Confident	97 Å²	97	80.5 Å²	80.5	37%	0.366	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	125.6	167.5	163.8	177.4	121.7	-137.1	0.4	109	L181 E227	R179-L181 HydrophobicContact CG-CD2 4.08Å; R179-L181 HydrophobicContact CG-CG 3.91Å; R179-L181 VanDerWaalsContact CZ-CD1 3.47Å; R179-L181 VanDerWaalsContact NE-CG 3.25Å; R179-E227 IonicContact CZ-OE1 2.66Å; R179-E227 IonicContact CZ-OE2 3.15Å; R179-E227 IonicContact NH1-OE1 2.76Å; R179-E227 PolarHBondContact NH1-OE1 3.07Å; R179-E227 IonicContact NH1-OE2 3.66Å; R179-E227 IonicContact NH2-OE1 3.29Å; R179-E227 PolarHBondContact NH2-OE1 3.04Å; R179-E227 IonicContact NH2-OE2 3.71Å; R179-E227 PolarHBondContact NH2-OE2 2.83Å
180	K	82	Confident	73.1	Confident	78 Å²	78	79.1 Å²	79.1	34%	0.339	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.8	169.6	-174.6	-177.7	177	178.7	0	109.3	G164 S165 T167 F178 E264	G164-K180 CarbonylContact C-O 3.56Å; G164-K180 WeakPolarHBondContact CA-O 3.45Å; S165-K180 PolarHBondContact N-O 3.25Å; S165-K180 PolarHBondContact O-N 3.3Å; T167-K180 HydrophobicContact CG2-CB 3.99Å; T167-K180 HydrophobicContact CG2-CD 3.74Å; T167-K180 HydrophobicContact CG2-CG 4.32Å; F178-K180 PolarHBondContact O-N 2.77Å; K180-E264 WeakPolarHBondContact CD-OE1 3.36Å; K180-E264 WeakPolarHBondContact CE-OE1 3.38Å; K180-E264 IonicContact NZ-OE1 3.73Å; K180-E264 PolarHBondContact NZ-OE1 3.35Å; K180-E264 IonicContact NZ-OE2 2.58Å
181	L	82.9	Confident	74.4	Confident	21 Å²	21	68.8 Å²	68.8	11%	0.11	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.4	172.9	-64.4	-178.8	0	0	0	109.2	Y162 R179 A224 L226	Y162-L181 HydrophobicContact CD1-CD2 4.22Å; Y162-L181 HydrophobicContact CD2-CD2 3.03Å; Y162-L181 HydrophobicContact CD2-CG 4.47Å; Y162-L181 HydrophobicContact CE1-CD2 4.27Å; Y162-L181 HydrophobicContact CE2-CD2 3.15Å; Y162-L181 HydrophobicContact CG-CD2 3.59Å; R179-L181 HydrophobicContact CG-CD2 4.08Å; R179-L181 HydrophobicContact CG-CG 3.91Å; R179-L181 VanDerWaalsContact CZ-CD1 3.47Å; R179-L181 VanDerWaalsContact NE-CG 3.25Å; L181-A224 HydrophobicContact CB-CB 4.24Å; L181-A224 WeakPolarHBondContact CD1-O 3.43Å; L181-L226 HydrophobicContact CD1-CB 4.18Å
182	N	77.1	Confident	76.2	Confident	84 Å²	84	60.3 Å²	60.3	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-49.5	174.8	-73.6	-8.1	0	0	0	111.2
183	R	87.2	Confident	78	Confident	82 Å²	82	56.6 Å²	56.6	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	133.1	-172.7	-165.3	173.6	-73.1	-159.8	4.9	110.8	L185 F220	R183-L185 HydrophobicContact CG-CD2 4.37Å; R183-F220 HydrophobicContact CG-CB 3.61Å; R183-F220 HydrophobicContact CG-CD2 3.96Å; R183-F220 HydrophobicContact CG-CG 3.93Å; R183-F220 VanDerWaalsContact NH1-CE1 3.26Å
184	I	92.8	Very high	79.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.7	172.6	-59.1	169.2	0	0	0	107.4	I160 F220 L221 S225 L226	I160-I184 HydrophobicContact CG2-CG2 3.52Å; I184-F220 CarbonylContact O-C 3.59Å; I184-F220 WeakPolarHBondContact O-CA 3.32Å; I184-F220 VanDerWaalsContact O-CB 3.28Å; I184-F220 WeakPolarHBondContact O-CB 3.26Å; I184-L221 HydrophobicContact CB-CB 4.28Å; I184-L221 HydrophobicContact CB-CD1 4.04Å; I184-L221 HydrophobicContact CB-CG 4.28Å; I184-L221 HydrophobicContact CD1-CD1 4.26Å; I184-L221 HydrophobicContact CG2-CD1 3.74Å; I184-L221 HydrophobicContact CG2-CG 4.23Å; I184-L221 PolarHBondContact O-N 3.39Å; I184-S225 WeakPolarHBondContact CD1-O 2.67Å; I184-L226 HydrophobicContact CD1-CB 4.42Å; I184-L226 HydrophobicContact CD1-CD1 4.27Å; I184-L226 HydrophobicContact CG1-CD1 4.34Å
185	L	92.4	Very high	81.6	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.5	177.5	-54	179	0	0	0	109.8	I160 G161 R183 F220 V477 R479	I160-L185 WeakPolarHBondContact CA-O 3.22Å; G161-L185 PolarHBondContact N-O 3.04Å; G161-L185 WeakPolarHBondContact O-CA 3.49Å; G161-L185 WeakPolarHBondContact O-CB 3.25Å; G161-L185 PolarHBondContact O-N 2.96Å; R183-L185 HydrophobicContact CG-CD2 4.37Å; L185-F220 HydrophobicContact CD2-CB 4.31Å; L185-V477 WeakPolarHBondContact CD2-O 3.38Å; L185-R479 HydrophobicContact CD1-CB 4.48Å
186	V	93.9	Very high	83.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.3	177.3	-176.3	0	0	0	0	108.1	I158 I160 C193 F197 L201 M219 L221	I158-V186 HydrophobicContact CG2-CG1 4.06Å; I160-V186 HydrophobicContact CD1-CB 4.39Å; I160-V186 HydrophobicContact CD1-CG1 4.24Å; I160-V186 HydrophobicContact CD1-CG2 3.89Å; V186-C193 HydrophobicContact CG1-CB 4.1Å; V186-F197 HydrophobicContact CG1-CD2 3.88Å; V186-F197 HydrophobicContact CG1-CE2 3.56Å; V186-F197 HydrophobicContact CG2-CD2 4.3Å; V186-F197 HydrophobicContact CG2-CE2 4.12Å; V186-L201 HydrophobicContact CB-CD1 4Å; V186-L201 HydrophobicContact CG1-CD1 4.24Å; V186-L201 HydrophobicContact CG2-CD1 3.83Å; V186-M219 HydrophobicContact CB-CB 4.12Å; V186-M219 HydrophobicContact CG1-CE 4.25Å; V186-M219 PolarHBondContact N-O 2.97Å; V186-M219 WeakPolarHBondContact O-CB 3.26Å; V186-L221 HydrophobicContact CG2-CD1 4.43Å; V186-L221 HydrophobicContact CG2-CD2 3.76Å; V186-L221 HydrophobicContact CG2-CG 3.77Å
187	C	92.3	Very high	85.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.5	176.3	-51.3	0	0	0	0	109.9	I158 T159 T216 R479 E527	I158-C187 CarbonylContact C-O 3.51Å; I158-C187 WeakPolarHBondContact CA-O 3.42Å; T159-C187 PolarHBondContact N-O 3.49Å; T159-C187 PolarHBondContact O-N 2.81Å; C187-T216 VanDerWaalsContact CA-O 3.31Å; C187-T216 WeakPolarHBondContact CA-O 3.43Å; C187-R479 WeakPolarHBondContact SG-CD 3.32Å; C187-E527 WeakPolarHBondContact CB-OE1 3.34Å
188	G	91.3	Very high	86.5	Confident	0 Å²	0	41 Å²	41	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-169.6	177.8	0	0	0	0	0	112.4	A190 Y215 T216	G188-A190 PolarHBondContact O-N 3.16Å; G188-Y215 WeakPolarHBondContact O-CA 3.35Å; G188-T216 PolarHBondContact N-O 3.04Å; G188-T216 PolarHBondContact O-N 3.46Å
189	R	86.9	Confident	87.3	Confident	39 Å²	39	40.6 Å²	40.6	15%	0.147	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.5	175.2	-166.5	172.9	61.9	149.2	-15.8	109.9	S191 T192 C193 N213 Y215	R189-S191 VanDerWaalsContact C-N 3.34Å; R189-S191 PolarHBondContact NE-OG 3.4Å; R189-S191 PolarHBondContact O-N 2.92Å; R189-T192 PolarHBondContact NE-OG1 3.46Å; R189-T192 PolarHBondContact NH2-OG1 3.42Å; R189-T192 VanDerWaalsContact NH2-OG1 3.11Å; R189-T192 PolarHBondContact O-N 2.72Å; R189-T192 VanDerWaalsContact O-N 3.16Å; R189-C193 PolarHBondContact O-N 3.06Å; R189-C193 PolarHBondContact O-SG 3.16Å; R189-N213 PolarHBondContact NH1-OD1 3.08Å; R189-Y215 HydrophobicContact CB-CD1 4.13Å; R189-Y215 HydrophobicContact CB-CE1 3.98Å
190	A	85.2	Confident	87.9	Confident	6 Å²	6	37 Å²	37	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-36.2	-170.3	0	0	0	0	0	113.3	G188 R194 R214 T216	G188-A190 PolarHBondContact O-N 3.16Å; A190-R194 WeakPolarHBondContact O-CB 3.18Å; A190-R194 WeakPolarHBondContact O-CG 3.34Å; A190-R194 PolarHBondContact O-N 2.88Å; A190-R194 PolarHBondContact O-NE 3.24Å; A190-R214 VanDerWaalsContact CB-O 3.3Å; A190-R214 WeakPolarHBondContact CB-O 3.33Å; A190-R214 PolarHBondContact N-O 3.12Å; A190-T216 HydrophobicContact CB-CG2 4.27Å
191	S	81.4	Confident	88.3	Confident	18 Å²	18	33.6 Å²	33.6	13%	0.126	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-49.4	172.9	47.5	0	0	0	0	111.4	R189 C193 R194 E195 G212 N213	R189-S191 VanDerWaalsContact C-N 3.34Å; R189-S191 PolarHBondContact NE-OG 3.4Å; R189-S191 PolarHBondContact O-N 2.92Å; S191-C193 PolarHBondContact O-N 2.94Å; S191-R194 PolarHBondContact O-N 3.34Å; S191-E195 PolarHBondContact O-N 3.3Å; S191-G212 WeakPolarHBondContact CA-O 3.2Å; S191-G212 WeakPolarHBondContact CB-O 3.47Å; S191-G212 PolarHBondContact N-O 3.34Å; S191-G212 PolarHBondContact OG-O 2.97Å; S191-N213 PolarHBondContact OG-OD1 3.06Å
192	T	85.8	Confident	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-42.7	178.1	-53.2	0	0	0	0	112	I158 R189 R194 E195 V196 F238	I158-T192 HydrophobicContact CD1-CG2 4.11Å; I158-T192 HydrophobicContact CG1-CG2 4.42Å; R189-T192 PolarHBondContact NE-OG1 3.46Å; R189-T192 PolarHBondContact NH2-OG1 3.42Å; R189-T192 VanDerWaalsContact NH2-OG1 3.11Å; R189-T192 PolarHBondContact O-N 2.72Å; R189-T192 VanDerWaalsContact O-N 3.16Å; T192-R194 PolarHBondContact O-N 3.04Å; T192-E195 WeakPolarHBondContact O-CB 3.46Å; T192-E195 PolarHBondContact O-N 2.91Å; T192-V196 WeakPolarHBondContact O-CG2 3.38Å; T192-V196 PolarHBondContact O-N 2.95Å; T192-F238 HydrophobicContact CG2-CE1 4.46Å; T192-F238 HydrophobicContact CG2-CE2 4.36Å; T192-F238 HydrophobicContact CG2-CZ 3.57Å
193	C	90.7	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-38.7	177.8	-62	0	0	0	0	112	V186 R189 S191 V196 F197 L201 M219	V186-C193 HydrophobicContact CG1-CB 4.1Å; R189-C193 PolarHBondContact O-N 3.06Å; R189-C193 PolarHBondContact O-SG 3.16Å; S191-C193 PolarHBondContact O-N 2.94Å; C193-V196 PolarHBondContact O-N 3.26Å; C193-F197 HydrophobicContact CB-CD2 4.48Å; C193-F197 WeakPolarHBondContact O-CB 3.5Å; C193-F197 WeakPolarHBondContact O-CD2 3.41Å; C193-F197 PolarHBondContact O-N 3.08Å; C193-L201 HydrophobicContact CB-CD2 3.94Å; C193-M219 HydrophobicContact CB-CE 3.3Å; C193-M219 HydrophobicContact CB-SD 4.11Å; C193-M219 WeakPolarHBondContact SG-CE 3.21Å
194	R	87.7	Confident	87.6	Confident	116 Å²	116	34.6 Å²	34.6	44%	0.438	16%	0.162	S	C	.	.	H	α-helix	trans	-67.5	-35.1	175.8	-81.8	-175.1	-89.8	-113.2	4.8	112.9	A190 S191 T192 V196 R198 L201	A190-R194 WeakPolarHBondContact O-CB 3.18Å; A190-R194 WeakPolarHBondContact O-CG 3.34Å; A190-R194 PolarHBondContact O-N 2.88Å; A190-R194 PolarHBondContact O-NE 3.24Å; S191-R194 PolarHBondContact O-N 3.34Å; T192-R194 PolarHBondContact O-N 3.04Å; R194-V196 VanDerWaalsContact C-N 3.32Å; R194-R198 WeakPolarHBondContact O-CA 3.39Å; R194-R198 PolarHBondContact O-N 3.06Å; R194-L201 HydrophobicContact CG-CD2 4.04Å
195	E	84.6	Confident	86.3	Confident	26 Å²	26	44.4 Å²	44.4	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-44.9	173.4	-174	-154.3	135.6	0	0	112	S152 S191 T192 R277	S152-E195 WeakPolarHBondContact CB-OE2 3.4Å; S152-E195 WeakPolarHBondContact OG-CB 3.47Å; S152-E195 WeakPolarHBondContact OG-CG 3.47Å; S152-E195 PolarHBondContact OG-OE2 3.07Å; S191-E195 PolarHBondContact O-N 3.3Å; T192-E195 WeakPolarHBondContact O-CB 3.46Å; T192-E195 PolarHBondContact O-N 2.91Å; E195-R277 IonicContact OE1-CZ 3.86Å; E195-R277 IonicContact OE1-NH1 3.85Å; E195-R277 PolarHBondContact OE1-NH1 3.28Å; E195-R277 IonicContact OE1-NH2 2.92Å; E195-R277 IonicContact OE2-CZ 3.75Å; E195-R277 IonicContact OE2-NH1 3.83Å; E195-R277 PolarHBondContact OE2-NH1 3.45Å; E195-R277 IonicContact OE2-NH2 3.68Å; E195-R277 PolarHBondContact OE2-NH2 3.45Å
196	V	89.2	Confident	85	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-74.2	-55.2	-176.7	176.7	0	0	0	0	110.8	I158 T192 C193 R194 M232 L233 K236 F238	I158-V196 HydrophobicContact CD1-CB 4.35Å; I158-V196 HydrophobicContact CD1-CG2 3.85Å; T192-V196 WeakPolarHBondContact O-CG2 3.38Å; T192-V196 PolarHBondContact O-N 2.95Å; C193-V196 PolarHBondContact O-N 3.26Å; R194-V196 VanDerWaalsContact C-N 3.32Å; V196-M232 HydrophobicContact CG1-CB 4.39Å; V196-M232 WeakPolarHBondContact O-CE 3.44Å; V196-L233 HydrophobicContact CG1-CD2 3.85Å; V196-L233 HydrophobicContact CG1-CG 4.05Å; V196-K236 HydrophobicContact CB-CG 4.41Å; V196-K236 HydrophobicContact CG1-CG 4.38Å; V196-K236 HydrophobicContact CG2-CB 4.03Å; V196-K236 HydrophobicContact CG2-CG 4.05Å; V196-F238 HydrophobicContact CG2-CD2 4.1Å; V196-F238 HydrophobicContact CG2-CE2 3.57Å; V196-F238 HydrophobicContact CG2-CZ 4.27Å
197	F	92.1	Very high	83.1	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-94.6	-15.9	-168.2	-62.1	-64.9	0	0	0	114.1	I158 I160 V186 C193 D199 T200 L201 L221 A229 M232 L233	I158-F197 HydrophobicContact CD1-CE2 4.31Å; I158-F197 HydrophobicContact CG2-CE2 4.18Å; I160-F197 HydrophobicContact CD1-CE2 4.18Å; I160-F197 HydrophobicContact CD1-CZ 3.75Å; V186-F197 HydrophobicContact CG1-CD2 3.88Å; V186-F197 HydrophobicContact CG1-CE2 3.56Å; V186-F197 HydrophobicContact CG2-CD2 4.3Å; V186-F197 HydrophobicContact CG2-CE2 4.12Å; C193-F197 HydrophobicContact CB-CD2 4.48Å; C193-F197 WeakPolarHBondContact O-CB 3.5Å; C193-F197 WeakPolarHBondContact O-CD2 3.41Å; C193-F197 PolarHBondContact O-N 3.08Å; F197-D199 PolarHBondContact O-N 3.16Å; F197-T200 WeakPolarHBondContact O-CB 3.47Å; F197-T200 PolarHBondContact O-N 2.92Å; F197-T200 PolarHBondContact O-OG1 2.67Å; F197-L201 HydrophobicContact CB-CB 3.9Å; F197-L201 HydrophobicContact CB-CD1 3.98Å; F197-L201 HydrophobicContact CB-CD2 4.46Å; F197-L201 HydrophobicContact CB-CG 4.34Å; F197-L201 HydrophobicContact CD2-CD1 4.11Å; F197-L201 HydrophobicContact CG-CD1 4.27Å; F197-L221 HydrophobicContact CB-CD2 3.88Å; F197-L221 HydrophobicContact CD1-CD1 4.34Å; F197-L221 HydrophobicContact CD1-CD2 3.52Å; F197-L221 HydrophobicContact CD2-CD2 4.26Å; F197-L221 HydrophobicContact CE1-CD1 4.26Å; F197-L221 HydrophobicContact CE1-CD2 4.13Å; F197-L221 HydrophobicContact CG-CD2 3.61Å; F197-A229 HydrophobicContact CE1-CB 4.2Å; F197-M232 HydrophobicContact CD1-CB 4.46Å; F197-M232 HydrophobicContact CD1-CE 4.19Å; F197-M232 HydrophobicContact CD1-SD 4.14Å; F197-M232 HydrophobicContact CE1-CB 4.39Å; F197-L233 HydrophobicContact CE1-CG 4.31Å; F197-L233 HydrophobicContact CZ-CD1 3.99Å; F197-L233 HydrophobicContact CZ-CD2 4.04Å; F197-L233 HydrophobicContact CZ-CG 3.79Å
198	R	88.7	Confident	81.3	Confident	150 Å²	150	56.1 Å²	56.1	57%	0.566	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	49	-125.6	174.3	-58.6	177.8	172	179.4	-7.1	112	R194 T200 L201	R194-R198 WeakPolarHBondContact O-CA 3.39Å; R194-R198 PolarHBondContact O-N 3.06Å; R198-T200 VanDerWaalsContact C-N 3.27Å; R198-T200 PolarHBondContact O-N 3.4Å; R198-L201 WeakPolarHBondContact O-CB 3.16Å; R198-L201 PolarHBondContact O-N 3.09Å
199	D	89.1	Confident	79.4	Confident	125 Å²	125	67.1 Å²	67.1	67%	0.668	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-70.6	-16.5	-179.3	58.1	-45.3	0	0	0	113.8	F197 L201 K222	F197-D199 PolarHBondContact O-N 3.16Å; D199-L201 VanDerWaalsContact C-N 3.26Å; D199-L201 PolarHBondContact O-N 3.33Å; D199-K222 WeakPolarHBondContact O-CD 3.5Å; D199-K222 WeakPolarHBondContact O-CE 3.41Å; D199-K222 PolarHBondContact O-NZ 3.04Å
200	T	92.8	Very high	77.2	Confident	21 Å²	21	67.5 Å²	67.5	13%	0.129	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-75.3	-16.2	173.4	73.5	0	0	0	0	112.9	F197 R198 L221 K222 M232	F197-T200 WeakPolarHBondContact O-CB 3.47Å; F197-T200 PolarHBondContact O-N 2.92Å; F197-T200 PolarHBondContact O-OG1 2.67Å; R198-T200 VanDerWaalsContact C-N 3.27Å; R198-T200 PolarHBondContact O-N 3.4Å; T200-L221 CarbonylContact O-C 3.54Å; T200-L221 WeakPolarHBondContact O-CA 3.38Å; T200-K222 WeakPolarHBondContact O-CB 3.48Å; T200-K222 WeakPolarHBondContact O-CG 3.43Å; T200-K222 PolarHBondContact O-N 3.19Å; T200-M232 HydrophobicContact CG2-CE 3.95Å; T200-M232 HydrophobicContact CG2-SD 4.39Å
201	L	90.8	Very high	75.4	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.042	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-83.7	142	179.2	-155.7	64.7	0	0	0	110.9	V186 C193 R194 F197 R198 D199 M219 L221 K222	V186-L201 HydrophobicContact CB-CD1 4Å; V186-L201 HydrophobicContact CG1-CD1 4.24Å; V186-L201 HydrophobicContact CG2-CD1 3.83Å; C193-L201 HydrophobicContact CB-CD2 3.94Å; R194-L201 HydrophobicContact CG-CD2 4.04Å; F197-L201 HydrophobicContact CB-CB 3.9Å; F197-L201 HydrophobicContact CB-CD1 3.98Å; F197-L201 HydrophobicContact CB-CD2 4.46Å; F197-L201 HydrophobicContact CB-CG 4.34Å; F197-L201 HydrophobicContact CD2-CD1 4.11Å; F197-L201 HydrophobicContact CG-CD1 4.27Å; R198-L201 WeakPolarHBondContact O-CB 3.16Å; R198-L201 PolarHBondContact O-N 3.09Å; D199-L201 VanDerWaalsContact C-N 3.26Å; D199-L201 PolarHBondContact O-N 3.33Å; L201-M219 HydrophobicContact CD1-CB 3.99Å; L201-M219 HydrophobicContact CD2-CE 4.41Å; L201-M219 HydrophobicContact CD2-CG 4.48Å; L201-M219 HydrophobicContact CD2-SD 3.64Å; L201-M219 HydrophobicContact CG-CB 4.28Å; L201-M219 HydrophobicContact CG-SD 4.35Å; L201-L221 HydrophobicContact CD1-CD2 3.83Å; L201-K222 WeakPolarHBondContact O-CE 3.49Å; L201-K222 PolarHBondContact O-NZ 3.49Å
202	N	88.8	Confident	74	Confident	17 Å²	17	70.1 Å²	70.1	9%	0.091	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-69.5	164.5	168.8	77.4	-51.6	0	0	0	111.8	M219 F220	N202-M219 WeakPolarHBondContact OD1-CA 3.47Å; N202-F220 HydrophobicContact CB-CD1 4.07Å; N202-F220 HydrophobicContact CB-CD2 4.02Å; N202-F220 HydrophobicContact CB-CE1 3.77Å; N202-F220 HydrophobicContact CB-CE2 3.71Å; N202-F220 HydrophobicContact CB-CG 4.18Å; N202-F220 HydrophobicContact CB-CZ 3.57Å; N202-F220 VanDerWaalsContact CG-CD1 3.43Å; N202-F220 VanDerWaalsContact CG-CE1 3.42Å; N202-F220 PolarHBondContact N-O 3.41Å; N202-F220 VanDerWaalsContact ND2-CD1 3.31Å; N202-F220 WeakPolarHBondContact ND2-CD1 3.28Å; N202-F220 WeakPolarHBondContact ND2-CE1 3.31Å; N202-F220 PolarHBondContact OD1-N 2.82Å; N202-F220 PolarHBondContact OD1-O 2.97Å
203	E	75.7	Confident	72.8	Confident	160 Å²	160	73.8 Å²	73.8	75%	0.748	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-74.2	128.2	163.9	-69.1	-170.6	170.7	0	0	110.4	R205	E203-R205 PolarHBondContact O-N 2.92Å
204	S	68.2	Low	72.2	Confident	31 Å²	31	79.1 Å²	79.1	22%	0.217	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-60.2	135	173.8	175.3	0	0	0	0	110.5	D206	S204-D206 PolarHBondContact OG-N 3.32Å
205	R	63.9	Low	72.1	Confident	206 Å²	206	75.6 Å²	75.6	78%	0.777	38%	0.382	S	S	*	.			trans	-96.3	19.2	177.4	-56.9	-174.4	104.5	173.4	8.3	112.9	E203	E203-R205 PolarHBondContact O-N 2.92Å
206	D	65.2	Low	72.2	Confident	37 Å²	37	74.9 Å²	74.9	20%	0.198	38%	0.38	C	S	.	.			trans	-61.3	137	177.1	-86.2	-40.4	0	0	0	111.1	S204 D208 T216 R218	S204-D206 PolarHBondContact OG-N 3.32Å; D206-D208 PolarHBondContact O-N 3.15Å; D206-D208 VanDerWaalsContact O-N 3.1Å; D206-T216 WeakPolarHBondContact OD2-CB 3.11Å; D206-T216 PolarHBondContact OD2-OG1 3.35Å; D206-R218 WeakPolarHBondContact OD1-CD 3.2Å; D206-R218 IonicContact OD1-CZ 3.45Å; D206-R218 IonicContact OD1-NE 2.67Å; D206-R218 IonicContact OD1-NH1 3.28Å; D206-R218 PolarHBondContact OD1-NH1 3.1Å
207	P	54.9	Low	72	Confident	106 Å²	106	76.9 Å²	76.9	69%	0.688	39%	0.393	S	S	*	.	S	Bend	trans	-57.2	-28.1	-175	-23.2	32	0	0	0	113.2
208	D	53.5	Low	71.5	Confident	109 Å²	109	81.6 Å²	81.6	58%	0.583	41%	0.411	S	S	*	.			trans	-105.5	92.3	-177.6	-55.3	-37.3	0	0	0	109.9	D206 G210 R214	D206-D208 PolarHBondContact O-N 3.15Å; D206-D208 VanDerWaalsContact O-N 3.1Å; D208-G210 PolarHBondContact O-N 2.89Å; D208-R214 PolarHBondContact O-NH1 2.85Å
209	R	52.1	Low	71.5	Confident	230 Å²	230	74.5 Å²	74.5	87%	0.868	39%	0.385	S	S	*	.			trans	-67.2	8.8	179.7	-65.8	-174	177	-169.8	-2.8	114.8
210	G	40.4	Very low	71.6	Confident	47 Å²	47	70.5 Å²	70.5	49%	0.485	36%	0.361	S	S	.	.			trans	-88.8	119.4	-173.2	0	0	0	0	0	114.4	D208 R214	D208-G210 PolarHBondContact O-N 2.89Å; G210-R214 PolarHBondContact O-NH1 3.43Å
211	G	47.3	Very low	71.6	Confident	41 Å²	41	69.8 Å²	69.8	42%	0.423	36%	0.357	S	S	.	.			trans	94.4	121.9	161.6	0	0	0	0	0	116.5	N213	G211-N213 PolarHBondContact O-N 3.18Å; G211-N213 VanDerWaalsContact O-N 3.14Å
212	G	52.4	Low	71.7	Confident	38 Å²	38	76.3 Å²	76.3	39%	0.392	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.4	-178.9	0	0	0	0	0	115.6	S191	S191-G212 WeakPolarHBondContact CA-O 3.2Å; S191-G212 WeakPolarHBondContact CB-O 3.47Å; S191-G212 PolarHBondContact N-O 3.34Å; S191-G212 PolarHBondContact OG-O 2.97Å
213	N	61	Low	71.9	Confident	78 Å²	78	77.2 Å²	77.2	42%	0.417	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.7	-174.8	-99.3	-6.5	0	0	0	115.7	R189 S191 G211	R189-N213 PolarHBondContact NH1-OD1 3.08Å; S191-N213 PolarHBondContact OG-OD1 3.06Å; G211-N213 PolarHBondContact O-N 3.18Å; G211-N213 VanDerWaalsContact O-N 3.14Å
214	R	78.5	Confident	72.6	Confident	112 Å²	112	71.6 Å²	71.6	42%	0.423	37%	0.369	S	S	.	.			trans	-74.6	141.3	179.1	-178.8	177.4	-87.2	113.4	2.7	111.7	A190 D208 G210	A190-R214 VanDerWaalsContact CB-O 3.3Å; A190-R214 WeakPolarHBondContact CB-O 3.33Å; A190-R214 PolarHBondContact N-O 3.12Å; D208-R214 PolarHBondContact O-NH1 2.85Å; G210-R214 PolarHBondContact O-NH1 3.43Å
215	Y	85.8	Confident	73.8	Confident	42 Å²	42	72.7 Å²	72.7	17%	0.165	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.8	167.5	-67.3	-99	0	0	0	110.9	G188 R189 I525 E527 L528 D531	G188-Y215 WeakPolarHBondContact O-CA 3.35Å; R189-Y215 HydrophobicContact CB-CD1 4.13Å; R189-Y215 HydrophobicContact CB-CE1 3.98Å; Y215-I525 HydrophobicContact CD1-CG2 4.07Å; Y215-I525 HydrophobicContact CG-CG2 3.87Å; Y215-E527 HydrophobicContact CD1-CB 3.76Å; Y215-E527 HydrophobicContact CE1-CB 3.83Å; Y215-L528 HydrophobicContact CD1-CB 4.27Å; Y215-L528 HydrophobicContact CD2-CB 4.07Å; Y215-L528 HydrophobicContact CD2-CD1 4.21Å; Y215-L528 HydrophobicContact CE1-CB 4.16Å; Y215-L528 HydrophobicContact CE2-CB 3.97Å; Y215-L528 HydrophobicContact CE2-CD1 3.56Å; Y215-L528 HydrophobicContact CE2-CG 4.29Å; Y215-L528 HydrophobicContact CG-CB 4.22Å; Y215-D531 WeakPolarHBondContact CE1-OD2 3.41Å; Y215-D531 VanDerWaalsContact OH-CB 3.25Å; Y215-D531 WeakPolarHBondContact OH-CB 3.27Å; Y215-D531 PolarHBondContact OH-OD2 2.92Å
216	T	85.6	Confident	75.2	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.067	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.1	178.8	-176	0	0	0	0	111	C187 G188 A190 D206 R218 M219	C187-T216 VanDerWaalsContact CA-O 3.31Å; C187-T216 WeakPolarHBondContact CA-O 3.43Å; G188-T216 PolarHBondContact N-O 3.04Å; G188-T216 PolarHBondContact O-N 3.46Å; A190-T216 HydrophobicContact CB-CG2 4.27Å; D206-T216 WeakPolarHBondContact OD2-CB 3.11Å; D206-T216 PolarHBondContact OD2-OG1 3.35Å; T216-R218 PolarHBondContact OG1-N 3.49Å; T216-M219 HydrophobicContact CG2-CE 3.45Å; T216-M219 VanDerWaalsContact CG2-CE 3.45Å; T216-M219 HydrophobicContact CG2-CG 3.75Å; T216-M219 HydrophobicContact CG2-SD 3.57Å; T216-M219 VanDerWaalsContact CG2-SD 3.57Å
217	S	84.8	Confident	76.5	Confident	45 Å²	45	66.1 Å²	66.1	32%	0.315	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	12.6	173.1	60.1	0	0	0	0	112.7
218	R	81.5	Confident	78.4	Confident	100 Å²	100	65 Å²	65	38%	0.377	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	15.1	-174	-63.8	-166.8	175.4	155.4	-9.2	113.9	D206 T216 F478	D206-R218 WeakPolarHBondContact OD1-CD 3.2Å; D206-R218 IonicContact OD1-CZ 3.45Å; D206-R218 IonicContact OD1-NE 2.67Å; D206-R218 IonicContact OD1-NH1 3.28Å; D206-R218 PolarHBondContact OD1-NH1 3.1Å; T216-R218 PolarHBondContact OG1-N 3.49Å; R218-F478 HydrophobicContact CB-CD1 4.38Å; R218-F478 HydrophobicContact CB-CE1 4.15Å; R218-F478 HydrophobicContact CG-CD1 4.23Å; R218-F478 HydrophobicContact CG-CE1 4.29Å
219	M	88.6	Confident	80.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	153.8	174.7	-60.6	175.8	-53	0	0	110.9	V186 C193 L201 N202 T216	V186-M219 HydrophobicContact CB-CB 4.12Å; V186-M219 HydrophobicContact CG1-CE 4.25Å; V186-M219 PolarHBondContact N-O 2.97Å; V186-M219 WeakPolarHBondContact O-CB 3.26Å; C193-M219 HydrophobicContact CB-CE 3.3Å; C193-M219 HydrophobicContact CB-SD 4.11Å; C193-M219 WeakPolarHBondContact SG-CE 3.21Å; L201-M219 HydrophobicContact CD1-CB 3.99Å; L201-M219 HydrophobicContact CD2-CE 4.41Å; L201-M219 HydrophobicContact CD2-CG 4.48Å; L201-M219 HydrophobicContact CD2-SD 3.64Å; L201-M219 HydrophobicContact CG-CB 4.28Å; L201-M219 HydrophobicContact CG-SD 4.35Å; N202-M219 WeakPolarHBondContact OD1-CA 3.47Å; T216-M219 HydrophobicContact CG2-CE 3.45Å; T216-M219 VanDerWaalsContact CG2-CE 3.45Å; T216-M219 HydrophobicContact CG2-CG 3.75Å; T216-M219 HydrophobicContact CG2-SD 3.57Å; T216-M219 VanDerWaalsContact CG2-SD 3.57Å
220	F	91.7	Very high	82.5	Confident	41 Å²	41	51.2 Å²	51.2	18%	0.18	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.1	177	61.6	-93.7	0	0	0	110.6	R183 I184 L185 N202	R183-F220 HydrophobicContact CG-CB 3.61Å; R183-F220 HydrophobicContact CG-CD2 3.96Å; R183-F220 HydrophobicContact CG-CG 3.93Å; R183-F220 VanDerWaalsContact NH1-CE1 3.26Å; I184-F220 CarbonylContact O-C 3.59Å; I184-F220 WeakPolarHBondContact O-CA 3.32Å; I184-F220 VanDerWaalsContact O-CB 3.28Å; I184-F220 WeakPolarHBondContact O-CB 3.26Å; L185-F220 HydrophobicContact CD2-CB 4.31Å; N202-F220 HydrophobicContact CB-CD1 4.07Å; N202-F220 HydrophobicContact CB-CD2 4.02Å; N202-F220 HydrophobicContact CB-CE1 3.77Å; N202-F220 HydrophobicContact CB-CE2 3.71Å; N202-F220 HydrophobicContact CB-CG 4.18Å; N202-F220 HydrophobicContact CB-CZ 3.57Å; N202-F220 VanDerWaalsContact CG-CD1 3.43Å; N202-F220 VanDerWaalsContact CG-CE1 3.42Å; N202-F220 PolarHBondContact N-O 3.41Å; N202-F220 VanDerWaalsContact ND2-CD1 3.31Å; N202-F220 WeakPolarHBondContact ND2-CD1 3.28Å; N202-F220 WeakPolarHBondContact ND2-CE1 3.31Å; N202-F220 PolarHBondContact OD1-N 2.82Å; N202-F220 PolarHBondContact OD1-O 2.97Å
221	L	94	Very high	84.9	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-81.6	144.4	177.1	-56.8	177.7	0	0	0	110.8	I184 V186 F197 T200 L201 H223 A229	I184-L221 HydrophobicContact CB-CB 4.28Å; I184-L221 HydrophobicContact CB-CD1 4.04Å; I184-L221 HydrophobicContact CB-CG 4.28Å; I184-L221 HydrophobicContact CD1-CD1 4.26Å; I184-L221 HydrophobicContact CG2-CD1 3.74Å; I184-L221 HydrophobicContact CG2-CG 4.23Å; I184-L221 PolarHBondContact O-N 3.39Å; V186-L221 HydrophobicContact CG2-CD1 4.43Å; V186-L221 HydrophobicContact CG2-CD2 3.76Å; V186-L221 HydrophobicContact CG2-CG 3.77Å; F197-L221 HydrophobicContact CB-CD2 3.88Å; F197-L221 HydrophobicContact CD1-CD1 4.34Å; F197-L221 HydrophobicContact CD1-CD2 3.52Å; F197-L221 HydrophobicContact CD2-CD2 4.26Å; F197-L221 HydrophobicContact CE1-CD1 4.26Å; F197-L221 HydrophobicContact CE1-CD2 4.13Å; F197-L221 HydrophobicContact CG-CD2 3.61Å; T200-L221 CarbonylContact O-C 3.54Å; T200-L221 WeakPolarHBondContact O-CA 3.38Å; L201-L221 HydrophobicContact CD1-CD2 3.83Å; L221-H223 PolarHBondContact O-N 3.42Å; L221-A229 HydrophobicContact CD1-CB 3.41Å; L221-A229 VanDerWaalsContact CD1-CB 3.41Å
222	K	92.1	Very high	87	Confident	145 Å²	145	53.2 Å²	53.2	63%	0.63	27%	0.27	S	S	*	.	S	Bend	trans	-72.8	-11.9	174.7	-66.9	173	-173.2	164.8	0	112.6	D199 T200 L201	D199-K222 WeakPolarHBondContact O-CD 3.5Å; D199-K222 WeakPolarHBondContact O-CE 3.41Å; D199-K222 PolarHBondContact O-NZ 3.04Å; T200-K222 WeakPolarHBondContact O-CB 3.48Å; T200-K222 WeakPolarHBondContact O-CG 3.43Å; T200-K222 PolarHBondContact O-N 3.19Å; L201-K222 WeakPolarHBondContact O-CE 3.49Å; L201-K222 PolarHBondContact O-NZ 3.49Å
223	H	92.3	Very high	88.8	Confident	35 Å²	35	51.4 Å²	51.4	16%	0.162	25%	0.252	C	S	.	.	S	Bend	trans	-113.2	162.2	172.4	65	84.9	0	0	0	111.2	L221 S225	L221-H223 PolarHBondContact O-N 3.42Å; H223-S225 PolarHBondContact CE1-O 3.34Å; H223-S225 PolarHBondContact ND1-N 2.86Å; H223-S225 PolarHBondContact ND1-O 2.7Å; H223-S225 VanDerWaalsContact ND1-O 3.1Å
224	A	90.8	Very high	89.9	Confident	43 Å²	43	50 Å²	50	36%	0.355	25%	0.251	S	S	.	.			trans	-107.2	7.7	177.9	0	0	0	0	0	113.4	L181 L226	L181-A224 HydrophobicContact CB-CB 4.24Å; L181-A224 WeakPolarHBondContact CD1-O 3.43Å; A224-L226 PolarHBondContact O-N 2.79Å
225	S	92.7	Very high	90.1	Very high	54 Å²	54	52.3 Å²	52.3	38%	0.378	27%	0.267	S	S	.	.			trans	-79.3	110.3	175.9	-53.2	0	0	0	0	110.9	I184 H223 A229	I184-S225 WeakPolarHBondContact CD1-O 2.67Å; H223-S225 PolarHBondContact CE1-O 3.34Å; H223-S225 PolarHBondContact ND1-N 2.86Å; H223-S225 PolarHBondContact ND1-O 2.7Å; H223-S225 VanDerWaalsContact ND1-O 3.1Å; S225-A229 PolarHBondContact O-N 3.17Å
226	L	93.5	Very high	89.8	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-38.6	-178.1	-165.4	85.1	0	0	0	110.9	I160 Y162 L181 I184 A224 A229 F230 F273	I160-L226 HydrophobicContact CG2-CD1 4.32Å; Y162-L226 HydrophobicContact CD1-CD1 3.43Å; Y162-L226 VanDerWaalsContact CD1-CD1 3.43Å; Y162-L226 HydrophobicContact CD1-CD2 4.43Å; Y162-L226 HydrophobicContact CE1-CD1 3.69Å; Y162-L226 HydrophobicContact CE1-CD2 3.81Å; Y162-L226 HydrophobicContact CE1-CG 4.4Å; Y162-L226 HydrophobicContact CG-CD1 4.44Å; L181-L226 HydrophobicContact CD1-CB 4.18Å; I184-L226 HydrophobicContact CD1-CB 4.42Å; I184-L226 HydrophobicContact CD1-CD1 4.27Å; I184-L226 HydrophobicContact CG1-CD1 4.34Å; A224-L226 PolarHBondContact O-N 2.79Å; L226-A229 WeakPolarHBondContact O-CB 3.4Å; L226-A229 PolarHBondContact O-N 2.85Å; L226-A229 VanDerWaalsContact O-N 3.09Å; L226-F230 HydrophobicContact CD1-CE1 4.27Å; L226-F230 HydrophobicContact CD1-CZ 4.09Å; L226-F230 HydrophobicContact CD2-CD2 4.47Å; L226-F230 HydrophobicContact CD2-CE1 4.35Å; L226-F230 HydrophobicContact CD2-CE2 3.51Å; L226-F230 HydrophobicContact CD2-CZ 3.46Å; L226-F230 VanDerWaalsContact CD2-CZ 3.46Å; L226-F230 HydrophobicContact CG-CD2 4.45Å; L226-F230 HydrophobicContact CG-CE1 3.92Å; L226-F230 HydrophobicContact CG-CE2 3.8Å; L226-F230 HydrophobicContact CG-CZ 3.52Å; L226-F230 WeakPolarHBondContact O-CG 3.05Å; L226-F230 PolarHBondContact O-N 2.86Å; L226-F273 HydrophobicContact CD2-CE2 4.29Å
227	E	94.1	Very high	89.4	Confident	94 Å²	94	53.4 Å²	53.4	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-48.2	-179.7	-62.3	72.1	-164.6	0	0	110	R179 A229 F230 D231	R179-E227 IonicContact CZ-OE1 2.66Å; R179-E227 IonicContact CZ-OE2 3.15Å; R179-E227 IonicContact NH1-OE1 2.76Å; R179-E227 PolarHBondContact NH1-OE1 3.07Å; R179-E227 IonicContact NH1-OE2 3.66Å; R179-E227 IonicContact NH2-OE1 3.29Å; R179-E227 PolarHBondContact NH2-OE1 3.04Å; R179-E227 IonicContact NH2-OE2 3.71Å; R179-E227 PolarHBondContact NH2-OE2 2.83Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 3.24Å; E227-F230 PolarHBondContact O-N 2.71Å; E227-F230 VanDerWaalsContact O-N 3.09Å; E227-D231 PolarHBondContact O-N 3.3Å
228	Q	94.6	Very high	89.5	Confident	82 Å²	82	51.8 Å²	51.8	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-41.7	173.8	-177.9	179.7	1.2	0	0	111.9	F230 D231 M232	Q228-F230 VanDerWaalsContact C-N 3.31Å; Q228-F230 PolarHBondContact O-N 2.82Å; Q228-D231 PolarHBondContact O-N 3.47Å; Q228-M232 HydrophobicContact CG-SD 4.22Å; Q228-M232 WeakPolarHBondContact O-CG 3.4Å; Q228-M232 PolarHBondContact O-N 3.49Å; Q228-M232 VanDerWaalsContact O-N 3.07Å
229	A	96.2	Very high	89.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-37.4	178.5	0	0	0	0	0	111.9	F197 L221 S225 L226 E227 L233	F197-A229 HydrophobicContact CE1-CB 4.2Å; L221-A229 HydrophobicContact CD1-CB 3.41Å; L221-A229 VanDerWaalsContact CD1-CB 3.41Å; S225-A229 PolarHBondContact O-N 3.17Å; L226-A229 WeakPolarHBondContact O-CB 3.4Å; L226-A229 PolarHBondContact O-N 2.85Å; L226-A229 VanDerWaalsContact O-N 3.09Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 3.24Å; A229-L233 WeakPolarHBondContact O-CG 3.37Å; A229-L233 PolarHBondContact O-N 2.73Å
230	F	95.1	Very high	89.7	Confident	51 Å²	51	54.9 Å²	54.9	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-71.7	-39.6	178.7	-64.4	-9.9	0	0	0	112.1	I160 L226 E227 Q228 L233 A234 F273 F275	I160-F230 HydrophobicContact CB-CE1 4.36Å; I160-F230 HydrophobicContact CG2-CE1 4.12Å; L226-F230 HydrophobicContact CD1-CE1 4.27Å; L226-F230 HydrophobicContact CD1-CZ 4.09Å; L226-F230 HydrophobicContact CD2-CD2 4.47Å; L226-F230 HydrophobicContact CD2-CE1 4.35Å; L226-F230 HydrophobicContact CD2-CE2 3.51Å; L226-F230 HydrophobicContact CD2-CZ 3.46Å; L226-F230 VanDerWaalsContact CD2-CZ 3.46Å; L226-F230 HydrophobicContact CG-CD2 4.45Å; L226-F230 HydrophobicContact CG-CE1 3.92Å; L226-F230 HydrophobicContact CG-CE2 3.8Å; L226-F230 HydrophobicContact CG-CZ 3.52Å; L226-F230 WeakPolarHBondContact O-CG 3.05Å; L226-F230 PolarHBondContact O-N 2.86Å; E227-F230 PolarHBondContact O-N 2.71Å; E227-F230 VanDerWaalsContact O-N 3.09Å; Q228-F230 VanDerWaalsContact C-N 3.31Å; Q228-F230 PolarHBondContact O-N 2.82Å; F230-L233 HydrophobicContact CD1-CD1 4.48Å; F230-L233 WeakPolarHBondContact O-CB 3.46Å; F230-L233 PolarHBondContact O-N 3.47Å; F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 2.84Å; F230-F273 HydrophobicContact CE1-CD2 4.36Å; F230-F273 HydrophobicContact CE1-CG 4.39Å; F230-F273 HydrophobicContact CZ-CB 4.41Å; F230-F273 HydrophobicContact CZ-CD1 4.17Å; F230-F273 AromaticContact CZ-CD2 3.81Å; F230-F273 HydrophobicContact CZ-CD2 3.81Å; F230-F273 HydrophobicContact CZ-CE1 4.42Å; F230-F273 HydrophobicContact CZ-CE2 4.09Å; F230-F273 AromaticContact CZ-CG 3.86Å; F230-F273 HydrophobicContact CZ-CG 3.86Å; F230-F273 HydrophobicContact CZ-CZ 4.38Å; F230-F275 HydrophobicContact CD1-CE1 4.39Å; F230-F275 AromaticContact CD1-CE2 3.89Å; F230-F275 HydrophobicContact CD1-CE2 3.89Å; F230-F275 AromaticContact CD1-CZ 3.42Å; F230-F275 HydrophobicContact CD1-CZ 3.42Å; F230-F275 VanDerWaalsContact CD1-CZ 3.42Å; F230-F275 AromaticContact CE1-CE2 3.7Å; F230-F275 HydrophobicContact CE1-CE2 3.7Å; F230-F275 AromaticContact CE1-CZ 3.57Å; F230-F275 HydrophobicContact CE1-CZ 3.57Å; F230-F275 AromaticContact CG-CZ 3.97Å; F230-F275 HydrophobicContact CG-CZ 3.97Å; F230-F275 HydrophobicContact CZ-CE2 4.47Å; F230-F275 HydrophobicContact CZ-CZ 4.21Å
231	D	90.1	Very high	89.4	Confident	101 Å²	101	55 Å²	55	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-45	174.4	-69.3	-21.2	0	0	0	110.9	E227 Q228 L233 A234 E235	E227-D231 PolarHBondContact O-N 3.3Å; Q228-D231 PolarHBondContact O-N 3.47Å; D231-L233 VanDerWaalsContact C-N 3.29Å; D231-L233 PolarHBondContact O-N 3.31Å; D231-A234 PolarHBondContact O-N 2.82Å; D231-A234 VanDerWaalsContact O-N 3.15Å; D231-E235 WeakPolarHBondContact O-CB 3.39Å; D231-E235 WeakPolarHBondContact O-CG 3.45Å; D231-E235 PolarHBondContact O-N 3.16Å
232	M	92.4	Very high	89	Confident	28 Å²	28	55 Å²	55	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-38.4	176	-68.2	173.5	83.3	0	0	112.7	V196 F197 T200 Q228 K236	V196-M232 HydrophobicContact CG1-CB 4.39Å; V196-M232 WeakPolarHBondContact O-CE 3.44Å; F197-M232 HydrophobicContact CD1-CB 4.46Å; F197-M232 HydrophobicContact CD1-CE 4.19Å; F197-M232 HydrophobicContact CD1-SD 4.14Å; F197-M232 HydrophobicContact CE1-CB 4.39Å; T200-M232 HydrophobicContact CG2-CE 3.95Å; T200-M232 HydrophobicContact CG2-SD 4.39Å; Q228-M232 HydrophobicContact CG-SD 4.22Å; Q228-M232 WeakPolarHBondContact O-CG 3.4Å; Q228-M232 PolarHBondContact O-N 3.49Å; Q228-M232 VanDerWaalsContact O-N 3.07Å; M232-K236 WeakPolarHBondContact O-CG 3.41Å; M232-K236 PolarHBondContact O-N 2.68Å
233	L	90.8	Very high	88.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-47.4	174.3	-80.2	161.9	0	0	0	111.3	I158 I160 V196 F197 A229 F230 D231 E235 K236 G237 F238 F275	I158-L233 HydrophobicContact CB-CD2 4.21Å; I158-L233 HydrophobicContact CD1-CD2 3.82Å; I158-L233 HydrophobicContact CG2-CD2 4.21Å; I160-L233 HydrophobicContact CD1-CD1 4.24Å; I160-L233 HydrophobicContact CG1-CD1 3.8Å; V196-L233 HydrophobicContact CG1-CD2 3.85Å; V196-L233 HydrophobicContact CG1-CG 4.05Å; F197-L233 HydrophobicContact CE1-CG 4.31Å; F197-L233 HydrophobicContact CZ-CD1 3.99Å; F197-L233 HydrophobicContact CZ-CD2 4.04Å; F197-L233 HydrophobicContact CZ-CG 3.79Å; A229-L233 WeakPolarHBondContact O-CG 3.37Å; A229-L233 PolarHBondContact O-N 2.73Å; F230-L233 HydrophobicContact CD1-CD1 4.48Å; F230-L233 WeakPolarHBondContact O-CB 3.46Å; F230-L233 PolarHBondContact O-N 3.47Å; D231-L233 VanDerWaalsContact C-N 3.29Å; D231-L233 PolarHBondContact O-N 3.31Å; L233-E235 PolarHBondContact O-N 3.3Å; L233-K236 CarbonylContact O-C 3.37Å; L233-K236 WeakPolarHBondContact O-CA 3.13Å; L233-K236 PolarHBondContact O-N 3.27Å; L233-G237 PolarHBondContact O-N 3.37Å; L233-F238 HydrophobicContact CB-CB 3.96Å; L233-F238 HydrophobicContact CD2-CB 3.89Å; L233-F238 HydrophobicContact CD2-CD1 4.05Å; L233-F238 HydrophobicContact CD2-CD2 4Å; L233-F238 HydrophobicContact CD2-CG 3.7Å; L233-F238 WeakPolarHBondContact O-CB 3.2Å; L233-F238 PolarHBondContact O-N 2.97Å; L233-F275 HydrophobicContact CB-CD1 4.28Å; L233-F275 HydrophobicContact CB-CE1 4.48Å; L233-F275 HydrophobicContact CD1-CB 4.45Å; L233-F275 HydrophobicContact CD1-CD1 3.95Å; L233-F275 HydrophobicContact CD1-CD2 3.69Å; L233-F275 HydrophobicContact CD1-CE1 4.05Å; L233-F275 HydrophobicContact CD1-CE2 3.78Å; L233-F275 HydrophobicContact CD1-CG 3.78Å; L233-F275 HydrophobicContact CD1-CZ 3.97Å; L233-F275 HydrophobicContact CD2-CB 4.38Å
234	A	83.9	Confident	88.5	Confident	50 Å²	50	50 Å²	50	41%	0.413	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-42.1	-178.7	0	0	0	0	0	112.2	F230 D231 K236 G237	F230-A234 WeakPolarHBondContact O-CB 3.45Å; F230-A234 PolarHBondContact O-N 2.84Å; D231-A234 PolarHBondContact O-N 2.82Å; D231-A234 VanDerWaalsContact O-N 3.15Å; A234-K236 PolarHBondContact O-N 3.23Å; A234-G237 PolarHBondContact O-N 3.4Å
235	E	81	Confident	88	Confident	159 Å²	159	50.5 Å²	50.5	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-57.1	-32.2	173.2	-77.1	179	-174.5	0	0	112.3	D231 L233 G237	D231-E235 WeakPolarHBondContact O-CB 3.39Å; D231-E235 WeakPolarHBondContact O-CG 3.45Å; D231-E235 PolarHBondContact O-N 3.16Å; L233-E235 PolarHBondContact O-N 3.3Å; E235-G237 VanDerWaalsContact C-N 3.32Å
236	K	80.7	Confident	87.4	Confident	43 Å²	43	48.4 Å²	48.4	19%	0.187	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.3	178.1	-65.1	-64.4	-175.7	-176.6	0	114.2	V196 M232 L233 A234 F238 R277	V196-K236 HydrophobicContact CB-CG 4.41Å; V196-K236 HydrophobicContact CG1-CG 4.38Å; V196-K236 HydrophobicContact CG2-CB 4.03Å; V196-K236 HydrophobicContact CG2-CG 4.05Å; M232-K236 WeakPolarHBondContact O-CG 3.41Å; M232-K236 PolarHBondContact O-N 2.68Å; L233-K236 CarbonylContact O-C 3.37Å; L233-K236 WeakPolarHBondContact O-CA 3.13Å; L233-K236 PolarHBondContact O-N 3.27Å; A234-K236 PolarHBondContact O-N 3.23Å; K236-F238 HydrophobicContact CB-CD2 3.97Å; K236-F238 HydrophobicContact CB-CE2 4.25Å; K236-R277 WeakPolarHBondContact O-CD 3.16Å; K236-R277 PolarHBondContact O-NH1 3.1Å
237	G	77.4	Confident	86.3	Confident	34 Å²	34	50.7 Å²	50.7	35%	0.351	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	13.8	176.9	0	0	0	0	0	114.3	L233 A234 E235	L233-G237 PolarHBondContact O-N 3.37Å; A234-G237 PolarHBondContact O-N 3.4Å; E235-G237 VanDerWaalsContact C-N 3.32Å
238	F	87.1	Confident	85.2	Confident	10 Å²	10	48.1 Å²	48.1	4%	0.044	28%	0.28	C	S	.	.			trans	-78.1	142.2	170.5	-74.6	-99.4	0	0	0	110.6	G156 I158 T192 V196 L233 K236 F275 F276 R277	G156-F238 VanDerWaalsContact O-CE1 3.28Å; G156-F238 WeakPolarHBondContact O-CE1 3.48Å; I158-F238 HydrophobicContact CB-CE1 4.28Å; I158-F238 HydrophobicContact CD1-CD1 4.46Å; I158-F238 HydrophobicContact CD1-CE1 3.83Å; I158-F238 HydrophobicContact CD1-CE2 4.26Å; I158-F238 HydrophobicContact CD1-CZ 3.74Å; I158-F238 HydrophobicContact CG1-CE1 3.81Å; I158-F238 HydrophobicContact CG1-CZ 4.15Å; T192-F238 HydrophobicContact CG2-CE1 4.46Å; T192-F238 HydrophobicContact CG2-CE2 4.36Å; T192-F238 HydrophobicContact CG2-CZ 3.57Å; V196-F238 HydrophobicContact CG2-CD2 4.1Å; V196-F238 HydrophobicContact CG2-CE2 3.57Å; V196-F238 HydrophobicContact CG2-CZ 4.27Å; L233-F238 HydrophobicContact CB-CB 3.96Å; L233-F238 HydrophobicContact CD2-CB 3.89Å; L233-F238 HydrophobicContact CD2-CD1 4.05Å; L233-F238 HydrophobicContact CD2-CD2 4Å; L233-F238 HydrophobicContact CD2-CG 3.7Å; L233-F238 WeakPolarHBondContact O-CB 3.2Å; L233-F238 PolarHBondContact O-N 2.97Å; K236-F238 HydrophobicContact CB-CD2 3.97Å; K236-F238 HydrophobicContact CB-CE2 4.25Å; F238-F275 HydrophobicContact CB-CB 4.16Å; F238-F275 HydrophobicContact CB-CD1 4.44Å; F238-F275 HydrophobicContact CD1-CB 4.03Å; F238-F276 CarbonylContact C-O 3.55Å; F238-F276 WeakPolarHBondContact CA-O 3.33Å; F238-R277 HydrophobicContact CD1-CB 3.76Å; F238-R277 HydrophobicContact CD2-CB 3.9Å; F238-R277 HydrophobicContact CE1-CB 3.67Å; F238-R277 HydrophobicContact CE2-CB 3.8Å; F238-R277 HydrophobicContact CE2-CG 4.43Å; F238-R277 HydrophobicContact CG-CB 3.86Å; F238-R277 HydrophobicContact CZ-CB 3.67Å
239	R	84.4	Confident	83.7	Confident	78 Å²	78	45.8 Å²	45.8	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	172.1	53.4	175.7	175.7	-122	-13.3	110.3	I241 F275 F276 E278 L441	R239-I241 HydrophobicContact CG-CG2 4.36Å; R239-I241 PolarHBondContact O-N 2.94Å; R239-F275 CarbonylContact O-C 3.56Å; R239-F275 VanDerWaalsContact O-CA 3.22Å; R239-F275 WeakPolarHBondContact O-CA 3.43Å; R239-F276 WeakPolarHBondContact CG-O 3.47Å; R239-F276 PolarHBondContact N-O 3.24Å; R239-F276 VanDerWaalsContact NH2-CE1 3.3Å; R239-F276 PolarHBondContact O-N 3.29Å; R239-E278 IonicContact CZ-OE2 2.99Å; R239-E278 IonicContact NH1-OE2 3.21Å; R239-E278 IonicContact NH2-OE2 3.22Å; R239-E278 PolarHBondContact NH2-OE2 2.61Å; R239-L441 VanDerWaalsContact CZ-CD1 3.44Å
240	L	88.1	Confident	81.6	Confident	88 Å²	88	54 Å²	54	46%	0.461	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.5	171.9	-177	69.1	0	0	0	108.8	A242 F273 F275	L240-A242 VanDerWaalsContact CD1-O 3.26Å; L240-A242 WeakPolarHBondContact CD1-O 2.91Å; L240-F273 HydrophobicContact CD1-CB 3.73Å; L240-F273 HydrophobicContact CD1-CD1 4.06Å; L240-F273 HydrophobicContact CD1-CG 4.38Å; L240-F275 HydrophobicContact CB-CD1 4.15Å; L240-F275 HydrophobicContact CB-CE1 3.84Å; L240-F275 HydrophobicContact CB-CZ 4.3Å; L240-F275 HydrophobicContact CD1-CD1 4.46Å; L240-F275 HydrophobicContact CD1-CD2 4.23Å; L240-F275 HydrophobicContact CD1-CE1 4.08Å; L240-F275 HydrophobicContact CD1-CE2 3.82Å; L240-F275 HydrophobicContact CD1-CZ 3.73Å
241	I	86.9	Confident	79.3	Confident	45 Å²	45	54.7 Å²	54.7	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-28.8	176.5	57.5	160.8	0	0	0	112.2	R239 V274 F276 F530 V540 I543	R239-I241 HydrophobicContact CG-CG2 4.36Å; R239-I241 PolarHBondContact O-N 2.94Å; I241-V274 HydrophobicContact CD1-CB 4.44Å; I241-V274 HydrophobicContact CD1-CG1 3.99Å; I241-V274 HydrophobicContact CG1-CB 4.08Å; I241-V274 HydrophobicContact CG1-CG1 4.07Å; I241-V274 WeakPolarHBondContact CG1-O 3.29Å; I241-V274 PolarHBondContact N-O 2.73Å; I241-F276 HydrophobicContact CD1-CB 4.02Å; I241-F276 HydrophobicContact CG1-CB 4.28Å; I241-F276 HydrophobicContact CG2-CB 3.79Å; I241-F530 HydrophobicContact CD1-CD2 4.43Å; I241-F530 HydrophobicContact CD1-CE2 4.29Å; I241-V540 HydrophobicContact CD1-CG2 4.17Å; I241-I543 WeakPolarHBondContact O-CD1 3.46Å
242	A	85.6	Confident	77.3	Confident	5 Å²	5	55 Å²	55	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.5	-176.9	0	0	0	0	0	111.5	L240 F273 V274 I543 M566 Y568	L240-A242 VanDerWaalsContact CD1-O 3.26Å; L240-A242 WeakPolarHBondContact CD1-O 2.91Å; A242-F273 CarbonylContact O-C 3.59Å; A242-F273 WeakPolarHBondContact O-CA 3.41Å; A242-V274 HydrophobicContact CB-CB 3.77Å; A242-V274 HydrophobicContact CB-CG2 3.88Å; A242-V274 PolarHBondContact N-O 3.2Å; A242-V274 PolarHBondContact O-N 3.41Å; A242-I543 HydrophobicContact CB-CD1 3.25Å; A242-I543 HydrophobicContact CB-CG2 4.31Å; A242-M566 HydrophobicContact CB-CE 4.23Å; A242-Y568 HydrophobicContact CB-CE1 3.91Å
243	S	88.1	Confident	74.9	Confident	69 Å²	69	57 Å²	57	48%	0.483	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143	167.5	60.1	0	0	0	0	110.7	E272	S243-E272 CarbonylContact C-O 3.6Å; S243-E272 VanDerWaalsContact CA-O 3.25Å; S243-E272 WeakPolarHBondContact CA-O 3.19Å
244	C	85	Confident	72.5	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.4	174	-174.2	0	0	0	0	110.9	N271 E272 S545 H564 M566	C244-N271 CarbonylContact O-C 3.52Å; C244-N271 WeakPolarHBondContact O-CA 3.49Å; C244-E272 PolarHBondContact N-O 3.25Å; C244-E272 PolarHBondContact O-N 3.34Å; C244-S545 WeakPolarHBondContact SG-CB 3.39Å; C244-S545 PolarHBondContact SG-OG 2.9Å; C244-S545 VanDerWaalsContact SG-OG 3.34Å; C244-H564 VanDerWaalsContact SG-CD2 3.55Å; C244-H564 VanDerWaalsContact SG-CG 3.54Å; C244-M566 HydrophobicContact CB-CE 3.42Å; C244-M566 VanDerWaalsContact CB-CE 3.42Å; C244-M566 HydrophobicContact CB-CG 4.09Å; C244-M566 HydrophobicContact CB-SD 3.46Å; C244-M566 WeakPolarHBondContact CB-SD 3.35Å
245	A	81.3	Confident	70.7	Confident	52 Å²	52	66 Å²	66	43%	0.43	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.2	179.1	0	0	0	0	0	110	Y270 N271	A245-Y270 CarbonylContact C-O 3.51Å; A245-Y270 WeakPolarHBondContact CA-O 3.47Å; A245-N271 WeakPolarHBondContact CA-OD1 3.48Å; A245-N271 WeakPolarHBondContact CB-OD1 3.35Å
246	S	78.6	Confident	69	Low	11 Å²	11	62.2 Å²	62.2	8%	0.077	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.2	156.8	163.7	83.4	0	0	0	0	110	Y270	S246-Y270 PolarHBondContact N-O 3.44Å; S246-Y270 PolarHBondContact OG-N 2.9Å
247	A	71.3	Confident	67.2	Low	58 Å²	58	69.8 Å²	69.8	48%	0.479	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-65.2	153.4	166.9	0	0	0	0	0	109.5	V547	A247-V547 HydrophobicContact CB-CG1 4.39Å
248	A	69.8	Low	65.3	Low	39 Å²	39	73.8 Å²	73.8	32%	0.322	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-67.6	148.7	164.8	0	0	0	0	0	109.3	Y250 N268	A248-Y250 PolarHBondContact O-N 2.83Å; A248-N268 WeakPolarHBondContact CA-O 3.48Å
249	S	65	Low	63.2	Low	33 Å²	33	75.7 Å²	75.7	23%	0.231	45%	0.453	C	S	.	.			trans	-66.9	28	-178.3	-64.6	0	0	0	0	115.8	G251 K266 W562	S249-G251 PolarHBondContact O-N 2.77Å; S249-K266 PolarHBondContact N-O 3.28Å; S249-K266 VanDerWaalsContact N-O 3.17Å; S249-W562 WeakPolarHBondContact OG-CH2 3.36Å; S249-W562 WeakPolarHBondContact OG-CZ2 3.42Å; S249-W562 WeakPolarHBondContact OG-CZ3 3.46Å
250	Y	51.4	Low	61.3	Low	172 Å²	172	79.2 Å²	79.2	68%	0.675	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	95.1	-177.6	-148.8	-90.9	0	0	0	110.2	A248 K266	A248-Y250 PolarHBondContact O-N 2.83Å; Y250-K266 HydrophobicContact CD2-CB 4.36Å
251	G	47.3	Very low	59.5	Low	66 Å²	66	81.3 Å²	81.3	68%	0.68	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	159	-9.9	170.3	0	0	0	0	0	118.7	S249	S249-G251 PolarHBondContact O-N 2.77Å
252	Y	47.3	Very low	58.3	Low	108 Å²	108	84 Å²	84	42%	0.424	51%	0.506	S	S	.	.			trans	-115.3	6	-166.4	-90.1	-81.9	0	0	0	117.4	D254 P550 V557	Y252-D254 PolarHBondContact O-N 3.02Å; Y252-P550 HydrophobicContact CE2-CB 3.96Å; Y252-P550 HydrophobicContact CE2-CG 4.07Å; Y252-P550 WeakPolarHBondContact OH-CB 3.43Å; Y252-V557 HydrophobicContact CD1-CG1 4.16Å; Y252-V557 HydrophobicContact CE1-CG1 4.48Å; Y252-V557 HydrophobicContact CE1-CG2 4.43Å; Y252-V557 HydrophobicContact CG-CG1 4.4Å
253	S	41.8	Very low	57.4	Low	71 Å²	71	90 Å²	90	50%	0.497	53%	0.533	S	S	.	.			trans	-75	99.4	171.6	64.8	0	0	0	0	109.5	T255	S253-T255 PolarHBondContact O-N 3.41Å
254	D	41.3	Very low	56.5	Low	101 Å²	101	88.5 Å²	88.5	54%	0.54	52%	0.518	S	S	.	.			trans	-45.1	122.8	163	-174.3	1.8	0	0	0	109	Y252 A256 R257	Y252-D254 PolarHBondContact O-N 3.02Å; D254-A256 PolarHBondContact O-N 3.44Å; D254-A256 PolarHBondContact OD1-N 3.09Å; D254-R257 PolarHBondContact O-N 3.32Å
255	T	46	Very low	55.8	Low	138 Å²	138	90.3 Å²	90.3	85%	0.847	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-8.8	177.5	41.7	0	0	0	0	113	S253	S253-T255 PolarHBondContact O-N 3.41Å
256	A	45.3	Very low	55.2	Low	79 Å²	79	91.2 Å²	91.2	65%	0.653	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.2	175.7	0	0	0	0	0	115.8	D254	D254-A256 PolarHBondContact O-N 3.44Å; D254-A256 PolarHBondContact OD1-N 3.09Å
257	R	43	Very low	55	Low	201 Å²	201	95.1 Å²	95.1	76%	0.758	54%	0.541	S	S	*	.			trans	-118.2	35	-179.6	-81.3	-172.6	165.9	178	-1.8	114.5	D254 G259	D254-R257 PolarHBondContact O-N 3.32Å; R257-G259 PolarHBondContact O-N 3.16Å
258	S	37.8	Very low	55.4	Low	118 Å²	118	93.8 Å²	93.8	83%	0.825	53%	0.526	S	S	*	.			trans	-70.5	59.6	174.1	58.2	0	0	0	0	113.5
259	G	41.5	Very low	55.8	Low	50 Å²	50	92.9 Å²	92.9	52%	0.515	52%	0.515	S	S	.	.	S	Bend	trans	-104.1	96.6	161.6	0	0	0	0	0	109.1	R257 E261	R257-G259 PolarHBondContact O-N 3.16Å; G259-E261 PolarHBondContact O-N 3.11Å
260	T	45.9	Very low	56.7	Low	152 Å²	152	91.4 Å²	91.4	93%	0.933	50%	0.504	S	S	*	.			trans	36.6	39.5	164.3	46	0	0	0	0	116.6	N262	T260-N262 PolarHBondContact O-N 2.97Å; T260-N262 VanDerWaalsContact O-N 3.11Å
261	E	49.6	Very low	58.4	Low	132 Å²	132	84.1 Å²	84.1	62%	0.617	48%	0.477	S	S	*	.			trans	-69.8	111	164.6	-81	-173.8	165.2	0	0	106.6	G259 E263	G259-E261 PolarHBondContact O-N 3.11Å; E261-E263 PolarHBondContact O-N 3.45Å
262	N	61.5	Low	60.4	Low	102 Å²	102	81 Å²	81	55%	0.545	45%	0.445	S	S	.	.			trans	-46.3	120.8	-174.6	-165.5	11.1	0	0	0	109.7	T260 E264 A265	T260-N262 PolarHBondContact O-N 2.97Å; T260-N262 VanDerWaalsContact O-N 3.11Å; N262-E264 PolarHBondContact ND2-OE2 3.46Å; N262-E264 VanDerWaalsContact ND2-OE2 3.16Å; N262-E264 PolarHBondContact O-N 3.36Å; N262-A265 VanDerWaalsContact O-CB 3.25Å; N262-A265 WeakPolarHBondContact O-CB 3.46Å; N262-A265 PolarHBondContact O-N 3.31Å
263	E	67.1	Low	62.6	Low	131 Å²	131	77.5 Å²	77.5	61%	0.612	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-52.1	-29.3	-177.5	-77.8	-164.8	137.2	0	0	112.7	E261 A265 K266	E261-E263 PolarHBondContact O-N 3.45Å; E263-A265 PolarHBondContact O-N 3.44Å; E263-K266 PolarHBondContact O-N 3.06Å
264	E	68.8	Low	65	Low	38 Å²	38	74.1 Å²	74.1	18%	0.178	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-55.1	-31.5	171.5	-172.6	178.5	-172.8	0	0	113.7	S165 K180 N262 K266 W267	S165-E264 PolarHBondContact OG-O 3.1Å; K180-E264 WeakPolarHBondContact CD-OE1 3.36Å; K180-E264 WeakPolarHBondContact CE-OE1 3.38Å; K180-E264 IonicContact NZ-OE1 3.73Å; K180-E264 PolarHBondContact NZ-OE1 3.35Å; K180-E264 IonicContact NZ-OE2 2.58Å; N262-E264 PolarHBondContact ND2-OE2 3.46Å; N262-E264 VanDerWaalsContact ND2-OE2 3.16Å; N262-E264 PolarHBondContact O-N 3.36Å; E264-K266 VanDerWaalsContact C-N 3.28Å; E264-K266 PolarHBondContact O-N 3.05Å; E264-W267 PolarHBondContact O-N 3.25Å
265	A	69.6	Low	67.5	Low	44 Å²	44	69.9 Å²	69.9	36%	0.364	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-67.5	-28.3	-177.3	0	0	0	0	0	113.1	N262 E263 W267 N268	N262-A265 VanDerWaalsContact O-CB 3.25Å; N262-A265 WeakPolarHBondContact O-CB 3.46Å; N262-A265 PolarHBondContact O-N 3.31Å; E263-A265 PolarHBondContact O-N 3.44Å; A265-W267 PolarHBondContact O-N 2.99Å; A265-N268 WeakPolarHBondContact CA-ND2 3.06Å; A265-N268 WeakPolarHBondContact O-CB 3.4Å; A265-N268 PolarHBondContact O-N 3.25Å; A265-N268 PolarHBondContact O-ND2 3.45Å
266	K	70	Confident	69.5	Low	72 Å²	72	64 Å²	64	31%	0.313	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-68.4	-21.7	178.2	-60.3	176.6	-178.4	174.4	0	112.8	S249 Y250 E263 E264	S249-K266 PolarHBondContact N-O 3.28Å; S249-K266 VanDerWaalsContact N-O 3.17Å; Y250-K266 HydrophobicContact CD2-CB 4.36Å; E263-K266 PolarHBondContact O-N 3.06Å; E264-K266 VanDerWaalsContact C-N 3.28Å; E264-K266 PolarHBondContact O-N 3.05Å
267	W	74.4	Confident	71.2	Confident	92 Å²	92	61.2 Å²	61.2	35%	0.348	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-101.3	0.8	-176.5	-67.1	97.9	0	0	0	113.9	S165 F166 F168 E264 A265 H269	S165-W267 WeakPolarHBondContact OG-CB 3.19Å; F166-W267 HydrophobicContact CB-CB 4.42Å; F166-W267 HydrophobicContact CD2-CB 4.04Å; F166-W267 HydrophobicContact CD2-CD2 4.25Å; F166-W267 AromaticContact CD2-CE3 3.87Å; F166-W267 HydrophobicContact CD2-CE3 3.87Å; F166-W267 HydrophobicContact CD2-CG 4.36Å; F166-W267 HydrophobicContact CE2-CE3 4.27Å; F168-W267 AromaticContact CE2-CD1 3.3Å; F168-W267 HydrophobicContact CE2-CG 4.03Å; F168-W267 AromaticContact CE2-NE1 3.6Å; F168-W267 AromaticContact CZ-CD1 3.28Å; F168-W267 HydrophobicContact CZ-CD2 4.1Å; F168-W267 AromaticContact CZ-CE2 3.68Å; F168-W267 AromaticContact CZ-CG 3.85Å; F168-W267 HydrophobicContact CZ-CG 3.85Å; F168-W267 HydrophobicContact CZ-CZ2 4.41Å; F168-W267 AromaticContact CZ-NE1 3.14Å; E264-W267 PolarHBondContact O-N 3.25Å; A265-W267 PolarHBondContact O-N 2.99Å; W267-H269 PolarHBondContact O-N 3.14Å; W267-H269 PolarHBondContact O-ND1 3.3Å
268	N	78.2	Confident	72.2	Confident	30 Å²	30	53.8 Å²	53.8	16%	0.16	29%	0.294	C	S	.	.			trans	-55.6	141	170.5	-79.2	-44.7	0	0	0	109.6	R163 G164 A248 A265 W562	R163-N268 VanDerWaalsContact NH2-CG 3.29Å; R163-N268 PolarHBondContact NH2-ND2 3.49Å; G164-N268 CarbonylContact O-C 3.52Å; G164-N268 VanDerWaalsContact O-CA 3.23Å; G164-N268 WeakPolarHBondContact O-CA 3.46Å; A248-N268 WeakPolarHBondContact CA-O 3.48Å; A265-N268 WeakPolarHBondContact CA-ND2 3.06Å; A265-N268 WeakPolarHBondContact O-CB 3.4Å; A265-N268 PolarHBondContact O-N 3.25Å; A265-N268 PolarHBondContact O-ND2 3.45Å; N268-W562 HydrophobicContact CB-CH2 3.12Å; N268-W562 HydrophobicContact CB-CZ2 4.05Å; N268-W562 HydrophobicContact CB-CZ3 3.59Å; N268-W562 WeakPolarHBondContact O-CZ3 3.28Å
269	H	79.8	Confident	72.9	Confident	20 Å²	20	49.6 Å²	49.6	9%	0.093	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.8	175.8	57	-86.9	0	0	0	109.8	Y162 R163 G164 W267 N271	Y162-H269 AromaticContact CE2-NE2 3.75Å; R163-H269 WeakPolarHBondContact CA-O 3.42Å; G164-H269 PolarHBondContact N-O 3.04Å; G164-H269 PolarHBondContact O-N 2.85Å; G164-H269 PolarHBondContact O-ND1 3.24Å; W267-H269 PolarHBondContact O-N 3.14Å; W267-H269 PolarHBondContact O-ND1 3.3Å; H269-N271 PolarHBondContact CD2-ND2 3.25Å; H269-N271 PolarHBondContact NE2-ND2 3.18Å
270	Y	83.3	Confident	72.8	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.5	175.4	178.9	-118.7	0	0	0	109.9	Y162 A245 S246 E272 F466 H564	Y162-Y270 WeakPolarHBondContact O-CA 3.46Å; Y162-Y270 WeakPolarHBondContact O-CD2 3.42Å; A245-Y270 CarbonylContact C-O 3.51Å; A245-Y270 WeakPolarHBondContact CA-O 3.47Å; S246-Y270 PolarHBondContact N-O 3.44Å; S246-Y270 PolarHBondContact OG-N 2.9Å; Y270-E272 HydrophobicContact CE1-CB 4.24Å; Y270-E272 PolarHBondContact OH-OE1 3.25Å; Y270-F466 HydrophobicContact CD2-CD1 4.45Å; Y270-F466 HydrophobicContact CG-CD1 4.47Å; Y270-H564 AromaticContact CD1-CE1 3.33Å; Y270-H564 WeakPolarHBondContact CD1-CE1 3.35Å; Y270-H564 AromaticContact CD1-ND1 3.52Å; Y270-H564 AromaticContact CE1-CE1 3.24Å; Y270-H564 WeakPolarHBondContact CE1-CE1 3.39Å; Y270-H564 AromaticContact CE1-ND1 3.9Å
271	N	87.1	Confident	72.3	Confident	20 Å²	20	49.1 Å²	49.1	11%	0.107	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.3	176.8	-72	-36.8	0	0	0	110.2	G161 Y162 C244 A245 H269 F273	G161-N271 CarbonylContact C-O 3.58Å; G161-N271 VanDerWaalsContact CA-O 3.24Å; G161-N271 WeakPolarHBondContact CA-O 3.49Å; Y162-N271 HydrophobicContact CD1-CB 4.05Å; Y162-N271 HydrophobicContact CE1-CB 3.66Å; Y162-N271 HydrophobicContact CE2-CB 4.13Å; Y162-N271 PolarHBondContact N-O 3.16Å; Y162-N271 PolarHBondContact O-N 3.46Å; Y162-N271 PolarHBondContact OH-ND2 2.86Å; C244-N271 CarbonylContact O-C 3.52Å; C244-N271 WeakPolarHBondContact O-CA 3.49Å; A245-N271 WeakPolarHBondContact CA-OD1 3.48Å; A245-N271 WeakPolarHBondContact CB-OD1 3.35Å; H269-N271 PolarHBondContact CD2-ND2 3.25Å; H269-N271 PolarHBondContact NE2-ND2 3.18Å; N271-F273 HydrophobicContact CB-CE2 3.88Å; N271-F273 HydrophobicContact CB-CZ 4.22Å
272	E	90	Very high	71.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.4	-178.8	-173.8	160.8	-87.5	0	0	111.1	T159 I160 S243 C244 Y270 R479 H564	T159-E272 HydrophobicContact CG2-CG 3.37Å; I160-E272 CarbonylContact O-C 3.53Å; I160-E272 WeakPolarHBondContact O-CA 3.4Å; S243-E272 CarbonylContact C-O 3.6Å; S243-E272 VanDerWaalsContact CA-O 3.25Å; S243-E272 WeakPolarHBondContact CA-O 3.19Å; C244-E272 PolarHBondContact N-O 3.25Å; C244-E272 PolarHBondContact O-N 3.34Å; Y270-E272 HydrophobicContact CE1-CB 4.24Å; Y270-E272 PolarHBondContact OH-OE1 3.25Å; E272-R479 WeakPolarHBondContact OE1-CD 3.41Å; E272-R479 IonicContact OE1-CZ 3.66Å; E272-R479 IonicContact OE1-NE 3.49Å; E272-R479 PolarHBondContact OE1-NE 3.08Å; E272-R479 IonicContact OE1-NH2 3.59Å; E272-R479 PolarHBondContact OE1-NH2 3.37Å; E272-R479 VanDerWaalsContact OE1-NH2 3.12Å; E272-R479 IonicContact OE2-CZ 3.77Å; E272-R479 IonicContact OE2-NE 3.82Å; E272-R479 IonicContact OE2-NH2 3.16Å; E272-R479 PolarHBondContact OE2-NH2 2.8Å; E272-H564 IonicContact OE2-NE2 3.87Å; E272-H564 PolarHBondContact OE2-NE2 3.38Å
273	F	92.6	Very high	69.8	Low	33 Å²	33	46.3 Å²	46.3	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.4	-178	-56.8	-86	0	0	0	108.8	T159 I160 Y162 L226 F230 L240 A242 N271 F275	T159-F273 CarbonylContact C-O 3.51Å; T159-F273 WeakPolarHBondContact CA-O 3.48Å; I160-F273 HydrophobicContact CB-CB 4.42Å; I160-F273 PolarHBondContact N-O 2.99Å; I160-F273 PolarHBondContact O-N 2.73Å; Y162-F273 HydrophobicContact CD1-CE2 4.13Å; Y162-F273 AromaticContact CE1-CE2 3.74Å; Y162-F273 HydrophobicContact CE1-CE2 3.74Å; Y162-F273 HydrophobicContact CE1-CZ 4.38Å; L226-F273 HydrophobicContact CD2-CE2 4.29Å; F230-F273 HydrophobicContact CE1-CD2 4.36Å; F230-F273 HydrophobicContact CE1-CG 4.39Å; F230-F273 HydrophobicContact CZ-CB 4.41Å; F230-F273 HydrophobicContact CZ-CD1 4.17Å; F230-F273 AromaticContact CZ-CD2 3.81Å; F230-F273 HydrophobicContact CZ-CD2 3.81Å; F230-F273 HydrophobicContact CZ-CE1 4.42Å; F230-F273 HydrophobicContact CZ-CE2 4.09Å; F230-F273 AromaticContact CZ-CG 3.86Å; F230-F273 HydrophobicContact CZ-CG 3.86Å; F230-F273 HydrophobicContact CZ-CZ 4.38Å; L240-F273 HydrophobicContact CD1-CB 3.73Å; L240-F273 HydrophobicContact CD1-CD1 4.06Å; L240-F273 HydrophobicContact CD1-CG 4.38Å; A242-F273 CarbonylContact O-C 3.59Å; A242-F273 WeakPolarHBondContact O-CA 3.41Å; N271-F273 HydrophobicContact CB-CE2 3.88Å; N271-F273 HydrophobicContact CB-CZ 4.22Å; F273-F275 HydrophobicContact CB-CD2 4.29Å; F273-F275 HydrophobicContact CB-CE2 3.61Å; F273-F275 HydrophobicContact CB-CZ 4.4Å
274	V	92.1	Very high	68	Low	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.6	177.2	-168.7	0	0	0	0	109.2	T159 I241 A242 F530	T159-V274 HydrophobicContact CG2-CG2 4.08Å; I241-V274 HydrophobicContact CD1-CB 4.44Å; I241-V274 HydrophobicContact CD1-CG1 3.99Å; I241-V274 HydrophobicContact CG1-CB 4.08Å; I241-V274 HydrophobicContact CG1-CG1 4.07Å; I241-V274 WeakPolarHBondContact CG1-O 3.29Å; I241-V274 PolarHBondContact N-O 2.73Å; A242-V274 HydrophobicContact CB-CB 3.77Å; A242-V274 HydrophobicContact CB-CG2 3.88Å; A242-V274 PolarHBondContact N-O 3.2Å; A242-V274 PolarHBondContact O-N 3.41Å; V274-F530 HydrophobicContact CG1-CD2 4.1Å; V274-F530 HydrophobicContact CG1-CE2 3.85Å
275	F	93.1	Very high	66	Low	11 Å²	11	47.5 Å²	47.5	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145	179	-69.4	-99.1	0	0	0	110.4	H157 I158 I160 F230 L233 F238 R239 L240 F273	H157-F275 VanDerWaalsContact CA-O 3.28Å; H157-F275 WeakPolarHBondContact CA-O 3.11Å; I158-F275 PolarHBondContact N-O 3Å; I158-F275 WeakPolarHBondContact O-CB 3.3Å; I158-F275 PolarHBondContact O-N 3.07Å; I160-F275 HydrophobicContact CB-CE2 4.33Å; I160-F275 HydrophobicContact CG1-CD2 4.11Å; I160-F275 HydrophobicContact CG1-CE2 3.99Å; F230-F275 HydrophobicContact CD1-CE1 4.39Å; F230-F275 AromaticContact CD1-CE2 3.89Å; F230-F275 HydrophobicContact CD1-CE2 3.89Å; F230-F275 AromaticContact CD1-CZ 3.42Å; F230-F275 HydrophobicContact CD1-CZ 3.42Å; F230-F275 VanDerWaalsContact CD1-CZ 3.42Å; F230-F275 AromaticContact CE1-CE2 3.7Å; F230-F275 HydrophobicContact CE1-CE2 3.7Å; F230-F275 AromaticContact CE1-CZ 3.57Å; F230-F275 HydrophobicContact CE1-CZ 3.57Å; F230-F275 AromaticContact CG-CZ 3.97Å; F230-F275 HydrophobicContact CG-CZ 3.97Å; F230-F275 HydrophobicContact CZ-CE2 4.47Å; F230-F275 HydrophobicContact CZ-CZ 4.21Å; L233-F275 HydrophobicContact CB-CD1 4.28Å; L233-F275 HydrophobicContact CB-CE1 4.48Å; L233-F275 HydrophobicContact CD1-CB 4.45Å; L233-F275 HydrophobicContact CD1-CD1 3.95Å; L233-F275 HydrophobicContact CD1-CD2 3.69Å; L233-F275 HydrophobicContact CD1-CE1 4.05Å; L233-F275 HydrophobicContact CD1-CE2 3.78Å; L233-F275 HydrophobicContact CD1-CG 3.78Å; L233-F275 HydrophobicContact CD1-CZ 3.97Å; L233-F275 HydrophobicContact CD2-CB 4.38Å; F238-F275 HydrophobicContact CB-CB 4.16Å; F238-F275 HydrophobicContact CB-CD1 4.44Å; F238-F275 HydrophobicContact CD1-CB 4.03Å; R239-F275 CarbonylContact O-C 3.56Å; R239-F275 VanDerWaalsContact O-CA 3.22Å; R239-F275 WeakPolarHBondContact O-CA 3.43Å; L240-F275 HydrophobicContact CB-CD1 4.15Å; L240-F275 HydrophobicContact CB-CE1 3.84Å; L240-F275 HydrophobicContact CB-CZ 4.3Å; L240-F275 HydrophobicContact CD1-CD1 4.46Å; L240-F275 HydrophobicContact CD1-CD2 4.23Å; L240-F275 HydrophobicContact CD1-CE1 4.08Å; L240-F275 HydrophobicContact CD1-CE2 3.82Å; L240-F275 HydrophobicContact CD1-CZ 3.73Å; F273-F275 HydrophobicContact CB-CD2 4.29Å; F273-F275 HydrophobicContact CB-CE2 3.61Å; F273-F275 HydrophobicContact CB-CZ 4.4Å
276	F	89.1	Confident	64	Low	15 Å²	15	56.3 Å²	56.3	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.6	178.4	174.4	-126.6	0	0	0	111.4	P155 G156 H157 F238 R239 I241 E278 A534	P155-F276 HydrophobicContact CB-CE2 4.49Å; G156-F276 WeakPolarHBondContact O-CD2 3.36Å; H157-F276 AromaticContact CD2-CD2 3.58Å; H157-F276 AromaticContact CD2-CG 3.93Å; H157-F276 AromaticContact CE1-CD2 3.17Å; H157-F276 WeakPolarHBondContact CE1-CD2 2.83Å; H157-F276 AromaticContact CE1-CE2 3.41Å; H157-F276 VanDerWaalsContact CE1-CE2 3.41Å; H157-F276 WeakPolarHBondContact CE1-CE2 2.98Å; H157-F276 AromaticContact CG-CD2 3.96Å; H157-F276 AromaticContact ND1-CD2 3.7Å; H157-F276 AromaticContact NE2-CD2 3.09Å; H157-F276 WeakPolarHBondContact NE2-CD2 3.44Å; H157-F276 AromaticContact NE2-CE2 3.73Å; H157-F276 AromaticContact NE2-CG 3.5Å; F238-F276 CarbonylContact C-O 3.55Å; F238-F276 WeakPolarHBondContact CA-O 3.33Å; R239-F276 WeakPolarHBondContact CG-O 3.47Å; R239-F276 PolarHBondContact N-O 3.24Å; R239-F276 VanDerWaalsContact NH2-CE1 3.3Å; R239-F276 PolarHBondContact O-N 3.29Å; I241-F276 HydrophobicContact CD1-CB 4.02Å; I241-F276 HydrophobicContact CG1-CB 4.28Å; I241-F276 HydrophobicContact CG2-CB 3.79Å; F276-E278 HydrophobicContact CE1-CB 3.9Å; F276-E278 HydrophobicContact CE1-CG 3.99Å; F276-E278 HydrophobicContact CZ-CB 4Å; F276-E278 HydrophobicContact CZ-CG 3.99Å; F276-A534 HydrophobicContact CE2-CB 4.16Å; F276-A534 HydrophobicContact CZ-CB 4.26Å
277	R	81.3	Confident	61.9	Low	21 Å²	21	59.8 Å²	59.8	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.3	165.5	179.7	174	74.2	-173.8	-2	109.6	S152 G154 P155 G156 E195 K236 F238	S152-R277 PolarHBondContact O-NH2 2.89Å; G154-R277 PolarHBondContact O-NE 3.47Å; G154-R277 PolarHBondContact O-NH2 3Å; P155-R277 CarbonylContact C-O 3.56Å; P155-R277 WeakPolarHBondContact CA-O 3.48Å; P155-R277 WeakPolarHBondContact CB-O 2.84Å; G156-R277 PolarHBondContact N-O 3.24Å; G156-R277 PolarHBondContact O-N 3.05Å; E195-R277 IonicContact OE1-CZ 3.86Å; E195-R277 IonicContact OE1-NH1 3.85Å; E195-R277 PolarHBondContact OE1-NH1 3.28Å; E195-R277 IonicContact OE1-NH2 2.92Å; E195-R277 IonicContact OE2-CZ 3.75Å; E195-R277 IonicContact OE2-NH1 3.83Å; E195-R277 PolarHBondContact OE2-NH1 3.45Å; E195-R277 IonicContact OE2-NH2 3.68Å; E195-R277 PolarHBondContact OE2-NH2 3.45Å; K236-R277 WeakPolarHBondContact O-CD 3.16Å; K236-R277 PolarHBondContact O-NH1 3.1Å; F238-R277 HydrophobicContact CD1-CB 3.76Å; F238-R277 HydrophobicContact CD2-CB 3.9Å; F238-R277 HydrophobicContact CE1-CB 3.67Å; F238-R277 HydrophobicContact CE2-CB 3.8Å; F238-R277 HydrophobicContact CE2-CG 4.43Å; F238-R277 HydrophobicContact CG-CB 3.86Å; F238-R277 HydrophobicContact CZ-CB 3.67Å
278	E	64.5	Low	59.7	Low	44 Å²	44	61.8 Å²	61.8	21%	0.206	32%	0.321	C	S	.	.			trans	-89.5	156.1	-175.9	-156.9	177.9	143.3	0	0	113.3	R239 F276 L441 R539	R239-E278 IonicContact CZ-OE2 2.99Å; R239-E278 IonicContact NH1-OE2 3.21Å; R239-E278 IonicContact NH2-OE2 3.22Å; R239-E278 PolarHBondContact NH2-OE2 2.61Å; F276-E278 HydrophobicContact CE1-CB 3.9Å; F276-E278 HydrophobicContact CE1-CG 3.99Å; F276-E278 HydrophobicContact CZ-CB 4Å; F276-E278 HydrophobicContact CZ-CG 3.99Å; E278-L441 VanDerWaalsContact OE2-CD1 3.25Å; E278-L441 WeakPolarHBondContact OE2-CD1 3.12Å; E278-R539 IonicContact OE1-CZ 2.96Å; E278-R539 IonicContact OE1-NH1 2.74Å; E278-R539 PolarHBondContact OE1-NH1 3.45Å; E278-R539 IonicContact OE1-NH2 2.75Å; E278-R539 IonicContact OE2-NH1 2.92Å; E278-R539 PolarHBondContact OE2-NH1 2.97Å
279	V	51.4	Low	57.2	Low	31 Å²	31	68.2 Å²	68.2	19%	0.188	35%	0.35	C	S	.	.			trans	-75.3	120.4	163.6	-161.3	0	0	0	0	107.1	P155 Y281	P155-V279 HydrophobicContact CB-CG2 3.63Å; P155-V279 HydrophobicContact CG-CB 4.36Å; P155-V279 HydrophobicContact CG-CG2 3.2Å; V279-Y281 HydrophobicContact CB-CD2 3.96Å; V279-Y281 HydrophobicContact CB-CE2 3.67Å; V279-Y281 HydrophobicContact CG1-CD1 4.21Å; V279-Y281 HydrophobicContact CG1-CD2 4.05Å; V279-Y281 HydrophobicContact CG1-CE1 4.1Å; V279-Y281 HydrophobicContact CG1-CE2 3.93Å; V279-Y281 HydrophobicContact CG1-CG 4.2Å; V279-Y281 HydrophobicContact CG2-CE2 3.89Å; V279-Y281 PolarHBondContact O-N 2.83Å
280	I	40.3	Very low	54.6	Low	83 Å²	83	73 Å²	73	43%	0.426	38%	0.381	S	S	.	.			trans	-86.9	94.9	163.1	-54.9	-179.2	0	0	0	107.6	S282 K403	I280-S282 PolarHBondContact O-N 2.96Å; I280-K403 HydrophobicContact CB-CB 4.39Å; I280-K403 HydrophobicContact CB-CD 4.45Å; I280-K403 HydrophobicContact CD1-CB 4.09Å; I280-K403 VanDerWaalsContact CD1-O 3.26Å; I280-K403 WeakPolarHBondContact CD1-O 3.12Å; I280-K403 HydrophobicContact CG2-CB 4.11Å; I280-K403 HydrophobicContact CG2-CD 4.32Å; I280-K403 HydrophobicContact CG2-CG 4.44Å
281	Y	34	Very low	52	Low	108 Å²	108	78.9 Å²	78.9	42%	0.424	41%	0.412	S	S	.	.			trans	-68.6	109.2	166.5	-65.5	-82.8	0	0	0	108.4	A130 V279 L283	A130-Y281 HydrophobicContact CB-CD1 4.48Å; A130-Y281 HydrophobicContact CB-CE1 3.4Å; A130-Y281 WeakPolarHBondContact CB-OH 3.17Å; V279-Y281 HydrophobicContact CB-CD2 3.96Å; V279-Y281 HydrophobicContact CB-CE2 3.67Å; V279-Y281 HydrophobicContact CG1-CD1 4.21Å; V279-Y281 HydrophobicContact CG1-CD2 4.05Å; V279-Y281 HydrophobicContact CG1-CE1 4.1Å; V279-Y281 HydrophobicContact CG1-CE2 3.93Å; V279-Y281 HydrophobicContact CG1-CG 4.2Å; V279-Y281 HydrophobicContact CG2-CE2 3.89Å; V279-Y281 PolarHBondContact O-N 2.83Å; Y281-L283 PolarHBondContact O-N 3.26Å; Y281-L283 VanDerWaalsContact O-N 3.13Å
282	S	29.8	Very low	49.4	Very low	42 Å²	42	87.6 Å²	87.6	29%	0.294	45%	0.449	S	S	.	.			trans	-71.4	104.5	155.6	49.5	0	0	0	0	106.9	E101 I280 A284 K403	E101-S282 PolarHBondContact OE1-OG 3.36Å; I280-S282 PolarHBondContact O-N 2.96Å; S282-A284 PolarHBondContact O-N 3.46Å; S282-K403 PolarHBondContact OG-NZ 3.5Å; S282-K403 VanDerWaalsContact OG-NZ 3.11Å
283	L	29	Very low	46.6	Very low	134 Å²	134	90.9 Å²	90.9	70%	0.702	48%	0.476	S	S	*	.			trans	-66.5	78.8	156.6	-89.5	155.7	0	0	0	107.6	Y281	Y281-L283 PolarHBondContact O-N 3.26Å; Y281-L283 VanDerWaalsContact O-N 3.13Å
284	A	29.8	Very low	43.7	Very low	69 Å²	69	96.9 Å²	96.9	57%	0.57	51%	0.505	S	S	*	.			trans	-121.8	63.7	162.4	0	0	0	0	0	107.2	S282	S282-A284 PolarHBondContact O-N 3.46Å
285	N	26.4	Very low	40.7	Very low	124 Å²	124	105.7 Å²	105.7	66%	0.663	55%	0.548	S	S	*	.			trans	-159.5	70.8	155.9	-110.4	13	0	0	0	105.4
286	R	28.4	Very low	37.8	Very low	229 Å²	229	113 Å²	113	86%	0.864	58%	0.583	S	S	*	*			trans	-95.2	124.1	144.8	-86.7	-169.5	175	-174.6	-1.1	105.1	C288	R286-C288 PolarHBondContact O-N 2.93Å; R286-C288 VanDerWaalsContact O-N 3.14Å
287	D	26.2	Very low	35.1	Very low	146 Å²	146	119.3 Å²	119.3	78%	0.781	62%	0.617	S	S	*	*			trans	-45.1	114.8	175	-51.8	-62.9	0	0	0	110
288	C	26.8	Very low	32.5	Very low	133 Å²	133	124.6 Å²	124.6	90%	0.899	66%	0.655	S	S	*	*			trans	-98.7	52.7	157.5	57.4	0	0	0	0	108.4	R286	R286-C288 PolarHBondContact O-N 2.93Å; R286-C288 VanDerWaalsContact O-N 3.14Å
289	E	26.1	Very low	30.7	Very low	166 Å²	166	130.6 Å²	130.6	78%	0.776	69%	0.685	S	S	*	*			trans	-85.1	113.5	150.5	-79.7	-172.1	162.3	0	0	107.2
290	T	26.3	Very low	29.6	Very low	121 Å²	121	137 Å²	137	74%	0.742	72%	0.717	S	S	*	*			trans	60.5	93.1	154.3	50.9	0	0	0	0	118.1
291	N	28.3	Very low	29	Very low	124 Å²	124	138.1 Å²	138.1	66%	0.663	73%	0.732	S	S	*	*				-144.2	80	121.9	-109.8	-6.8	0	0	0	109.9	A293	N291-A293 PolarHBondContact O-N 3.29Å
292	K	31.2	Very low	28.7	Very low	203 Å²	203	140.9 Å²	140.9	88%	0.883	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	29.8	173.6	-152.6	178.8	-177.2	-178.5	0	112.1
293	A	31	Very low	28.6	Very low	70 Å²	70	145.2 Å²	145.2	58%	0.579	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	-3.8	-171.6	0	0	0	0	0	114.5	N291	N291-A293 PolarHBondContact O-N 3.29Å
294	E	32.1	Very low	28.6	Very low	159 Å²	159	150.4 Å²	150.4	74%	0.743	79%	0.789	S	S	*	*	S	Bend	trans	-120.6	8.7	-179.6	-73.3	-175.7	151.1	0	0	114.5
295	M	30.7	Very low	28.6	Very low	187 Å²	187	154.2 Å²	154.2	92%	0.921	80%	0.8	S	S	*	*	S	Bend	trans	-108.3	3.5	170.1	-93.9	179.6	64.9	0	0	114.3
296	E	31.2	Very low	28.8	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	81%	0.809	S	S	*	*	S	Bend	trans	-100.7	8	179.2	-81.7	-176.9	164.7	0	0	114.8
297	N	32.1	Very low	28.7	Very low	147 Å²	147	147.6 Å²	147.6	79%	0.786	81%	0.805	S	S	*	*	S	Bend	trans	-124.1	27.7	-176.6	-91.9	-19.2	0	0	0	116
298	C	27.9	Very low	29	Very low	131 Å²	131	151.9 Å²	151.9	89%	0.885	81%	0.811	S	S	*	*	S	Bend	trans	-131	38.6	167.5	-84.3	0	0	0	0	113
299	M	26	Very low	29.1	Very low	170 Å²	170	152.3 Å²	152.3	84%	0.837	81%	0.809	S	S	*	*	S	Bend	trans	-131.4	144.4	151.6	-73.3	-154.7	-160.7	0	0	107.8
300	I	28	Very low	29.2	Very low	167 Å²	167	150.3 Å²	150.3	86%	0.856	80%	0.803	S	S	*	*			trans	93.7	79.6	-178	-45.7	161.1	0	0	0	113.9
301	S	27.4	Very low	29.6	Very low	105 Å²	105	150.1 Å²	150.1	73%	0.734	80%	0.803	S	S	*	*				163.4	110.9	110.6	46	0	0	0	0	110.3
302	D	28.7	Very low	29.8	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	81%	0.81	S	S	*	*			trans	-172.2	79.4	135	-96.8	-17.8	0	0	0	109.1
303	T	27.8	Very low	30.2	Very low	133 Å²	133	146.8 Å²	146.8	82%	0.816	80%	0.804	S	S	*	*			trans	-79.2	108.8	154.4	46.3	0	0	0	0	107.8
304	R	29.4	Very low	30.8	Very low	242 Å²	242	147.4 Å²	147.4	91%	0.913	80%	0.795	S	S	*	*			trans	-175.5	116.3	139.8	-100.1	157.9	-168	-169.7	4.8	111.9
305	D	28.3	Very low	31.6	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	79%	0.789	S	S	*	*			trans	66.4	107.5	137.6	-122.2	-13.5	0	0	0	119.4
306	T	30.2	Very low	32.6	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	78%	0.781	S	S	*	*				-164.5	114.4	121.1	23.7	0	0	0	0	108.7	R308	T306-R308 PolarHBondContact O-N 3.31Å
307	G	27.9	Very low	33.7	Very low	76 Å²	76	142.2 Å²	142.2	78%	0.784	77%	0.774	S	S	*	*			trans	-55.2	123.6	175.7	0	0	0	0	0	112.5
308	R	31.5	Very low	35.2	Very low	236 Å²	236	139.4 Å²	139.4	89%	0.891	76%	0.759	S	S	*	*			trans	-129.6	124.7	154.5	-81.2	-171.6	176.6	-173.3	0.1	108.6	T306 L310	T306-R308 PolarHBondContact O-N 3.31Å; R308-L310 PolarHBondContact O-N 3.09Å
309	V	29	Very low	37	Very low	142 Å²	142	134.8 Å²	134.8	86%	0.861	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-49.9	119	178.8	177.5	0	0	0	0	110.1
310	L	28.9	Very low	39.3	Very low	124 Å²	124	127.3 Å²	127.3	65%	0.649	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-66.6	128.6	166.3	-109.3	101.4	0	0	0	108.8	R308 L313	R308-L310 PolarHBondContact O-N 3.09Å; L310-L313 HydrophobicContact CD2-CD1 3.6Å
311	P	33.2	Very low	41.9	Very low	116 Å²	116	125.3 Å²	125.3	75%	0.753	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-67.2	141.6	158.2	-6.7	24	0	0	0	108.5	L313	P311-L313 PolarHBondContact O-N 2.87Å
312	S	34.3	Very low	44.7	Very low	116 Å²	116	120.8 Å²	120.8	81%	0.811	65%	0.648	S	S	*	*			trans	-42.4	121.9	-175.1	54.7	0	0	0	0	113.8	M314	S312-M314 PolarHBondContact O-N 2.64Å
313	L	39.2	Very low	47.6	Very low	142 Å²	142	112.9 Å²	112.9	74%	0.743	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-51.4	122.6	167.2	-114.8	85.6	0	0	0	109.6	L310 P311	L310-L313 HydrophobicContact CD2-CD1 3.6Å; P311-L313 PolarHBondContact O-N 2.87Å
314	M	42.4	Very low	50.5	Low	82 Å²	82	106.6 Å²	106.6	40%	0.404	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-60.3	141.2	152.9	-68.5	177.8	85.2	0	0	108	S312 T355	S312-M314 PolarHBondContact O-N 2.64Å; M314-T355 HydrophobicContact CE-CG2 4.43Å; M314-T355 PolarHBondContact SD-OG1 3.32Å; M314-T355 VanDerWaalsContact SD-OG1 3.4Å
315	D	50.3	Low	53.4	Low	114 Å²	114	95.1 Å²	95.1	61%	0.61	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-63.4	141	176.8	-166.4	10.9	0	0	0	109.9	S317 D318	D315-S317 WeakPolarHBondContact CB-OG 3.33Å; D315-S317 PolarHBondContact O-N 2.81Å; D315-S317 PolarHBondContact OD2-OG 2.93Å; D315-D318 PolarHBondContact O-N 3.06Å
316	R	51.5	Low	56.4	Low	201 Å²	201	89.4 Å²	89.4	76%	0.758	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-57.6	-22	-177.2	-91.3	-169.1	174.4	-146.1	2.4	112.5	D318	R316-D318 PolarHBondContact O-N 3.37Å
317	S	54	Low	59.3	Low	88 Å²	88	82.8 Å²	82.8	62%	0.615	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-66.9	-14.2	-176.8	48.4	0	0	0	0	115	D315	D315-S317 WeakPolarHBondContact CB-OG 3.33Å; D315-S317 PolarHBondContact O-N 2.81Å; D315-S317 PolarHBondContact OD2-OG 2.93Å
318	D	63.4	Low	62.2	Low	88 Å²	88	80.5 Å²	80.5	47%	0.471	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-102.6	-4.6	-174.9	-91.8	-36.4	0	0	0	115.4	D315 R316 K358	D315-D318 PolarHBondContact O-N 3.06Å; R316-D318 PolarHBondContact O-N 3.37Å; D318-K358 PolarHBondContact O-NZ 2.78Å; D318-K358 IonicContact OD1-NZ 3.42Å
319	I	66.6	Low	64.8	Low	34 Å²	34	76.1 Å²	76.1	17%	0.174	42%	0.422	C	S	.	.	S	Bend	trans	-95.4	122.8	-174.1	-56	179.8	0	0	0	109.8	W336 R351 I354	I319-W336 HydrophobicContact CD1-CZ2 4.27Å; I319-W336 HydrophobicContact CG2-CB 4.2Å; I319-W336 HydrophobicContact CG2-CD2 3.3Å; I319-W336 HydrophobicContact CG2-CE3 3.7Å; I319-W336 HydrophobicContact CG2-CG 3.47Å; I319-W336 VanDerWaalsContact CG2-CG 3.47Å; I319-W336 HydrophobicContact CG2-CZ2 4.32Å; I319-W336 HydrophobicContact CG2-CZ3 4.37Å; I319-R351 HydrophobicContact CD1-CG 4.29Å; I319-I354 HydrophobicContact CG2-CD1 4.49Å
320	P	74.4	Confident	67.7	Low	13 Å²	13	70.1 Å²	70.1	8%	0.084	39%	0.386	C	S	.	.			trans	-65	132.3	-178.2	28.6	-38.7	0	0	0	112.1	I323 W336 I354 T374 A375	P320-I323 HydrophobicContact CG-CG1 4.14Å; P320-W336 WeakPolarHBondContact O-CB 3.2Å; P320-I354 HydrophobicContact CG-CD1 4.26Å; P320-T374 WeakPolarHBondContact CA-OG1 3.03Å; P320-T374 WeakPolarHBondContact CB-OG1 3.38Å; P320-A375 HydrophobicContact CB-CB 3.88Å; P320-A375 HydrophobicContact CG-CB 3.47Å; P320-A375 VanDerWaalsContact CG-CB 3.47Å
321	D	82.5	Confident	70.6	Confident	125 Å²	125	67.1 Å²	67.1	67%	0.668	37%	0.373	S	S	*	.	S	Bend	trans	-64.6	-39.1	175.8	-73.3	-28	0	0	0	112.9	T335 W336 T374	D321-T335 CarbonylContact O-C 3.52Å; D321-T335 WeakPolarHBondContact O-CA 3.17Å; D321-T335 WeakPolarHBondContact O-CB 3.33Å; D321-W336 PolarHBondContact O-N 3.27Å; D321-T374 PolarHBondContact N-OG1 2.98Å
322	I	86.1	Confident	73.4	Confident	10 Å²	10	62.7 Å²	62.7	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	-175.7	-62.5	171.5	0	0	0	109.5	F65 F71 V333 T334 T374 A375	F65-I322 HydrophobicContact CD1-CD1 4.47Å; F65-I322 HydrophobicContact CE1-CD1 3.41Å; F65-I322 VanDerWaalsContact CE1-CD1 3.41Å; F65-I322 HydrophobicContact CE2-CD1 4.48Å; F65-I322 HydrophobicContact CZ-CD1 3.43Å; F65-I322 VanDerWaalsContact CZ-CD1 3.43Å; F71-I322 HydrophobicContact CB-CD1 3.98Å; F71-I322 HydrophobicContact CD1-CD1 3.56Å; F71-I322 HydrophobicContact CD1-CG1 3.86Å; F71-I322 HydrophobicContact CE1-CD1 4.24Å; F71-I322 HydrophobicContact CE1-CG1 4.04Å; F71-I322 HydrophobicContact CE1-CG2 4.28Å; F71-I322 HydrophobicContact CG-CD1 3.84Å; F71-I322 HydrophobicContact CZ-CG2 4.31Å; I322-V333 HydrophobicContact CG2-CG1 3.53Å; I322-T334 WeakPolarHBondContact CA-O 3.38Å; I322-T374 PolarHBondContact N-OG1 3.3Å; I322-T374 PolarHBondContact O-N 2.75Å; I322-T374 PolarHBondContact O-OG1 3.22Å; I322-A375 PolarHBondContact O-N 3.41Å
323	I	88.1	Confident	76.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.9	-168.9	-49.4	172.1	0	0	0	108.7	P320 L325 V333 T334 W336 I354 L377	P320-I323 HydrophobicContact CG-CG1 4.14Å; I323-L325 HydrophobicContact CG2-CD2 3.61Å; I323-L325 HydrophobicContact CG2-CG 4.41Å; I323-V333 WeakPolarHBondContact O-CA 3.19Å; I323-T334 PolarHBondContact N-O 3.49Å; I323-T334 PolarHBondContact O-N 2.86Å; I323-W336 HydrophobicContact CD1-CB 4.06Å; I323-W336 HydrophobicContact CD1-CE3 3.66Å; I323-I354 HydrophobicContact CD1-CD1 4.49Å; I323-L377 HydrophobicContact CG2-CD1 3.62Å; I323-L377 HydrophobicContact CG2-CG 3.76Å
324	E	89.5	Confident	78.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.1	169.4	-172	179.5	155	0	0	109	H326 T331 Y332 V333 S368 F370 P373 A375 I376 L377	E324-H326 IonicContact OE1-CD2 3.69Å; E324-H326 IonicContact OE1-CE1 2.73Å; E324-H326 IonicContact OE1-NE2 2.76Å; E324-H326 PolarHBondContact OE1-NE2 3.42Å; E324-T331 HydrophobicContact CG-CG2 3.69Å; E324-T331 WeakPolarHBondContact OE1-CG2 3.37Å; E324-Y332 CarbonylContact C-O 3.57Å; E324-Y332 WeakPolarHBondContact CA-O 3.25Å; E324-V333 HydrophobicContact CG-CG2 4.32Å; E324-S368 PolarHBondContact OE2-OG 2.85Å; E324-F370 HydrophobicContact CG-CD2 4.31Å; E324-P373 HydrophobicContact CB-CB 3.88Å; E324-P373 HydrophobicContact CB-CG 4.14Å; E324-P373 VanDerWaalsContact OE2-CG 3.25Å; E324-P373 WeakPolarHBondContact OE2-CG 3.46Å; E324-A375 PolarHBondContact N-O 3.02Å; E324-I376 HydrophobicContact CB-CG1 4.28Å; E324-I376 CarbonylContact O-C 3.59Å; E324-I376 WeakPolarHBondContact O-CA 3.11Å; E324-L377 PolarHBondContact O-N 3.28Å
325	L	91.2	Very high	81	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.6	-177.8	-53.5	177	0	0	0	109.1	I323 V327 T331 Y332 T334 F350 L377 F379 F387	I323-L325 HydrophobicContact CG2-CD2 3.61Å; I323-L325 HydrophobicContact CG2-CG 4.41Å; L325-V327 HydrophobicContact CB-CG2 4.2Å; L325-T331 CarbonylContact O-C 3.48Å; L325-T331 WeakPolarHBondContact O-CA 3.34Å; L325-Y332 PolarHBondContact N-O 2.87Å; L325-Y332 PolarHBondContact O-N 3.44Å; L325-T334 HydrophobicContact CD1-CG2 3.8Å; L325-T334 HydrophobicContact CG-CG2 4.39Å; L325-F350 HydrophobicContact CD1-CE1 4.05Å; L325-F350 HydrophobicContact CD2-CD1 4.3Å; L325-F350 HydrophobicContact CD2-CE1 3.8Å; L325-L377 CarbonylContact C-O 3.58Å; L325-L377 WeakPolarHBondContact CA-O 3.26Å; L325-L377 HydrophobicContact CD2-CB 3.86Å; L325-L377 HydrophobicContact CD2-CD1 3.76Å; L325-L377 HydrophobicContact CD2-CG 4.13Å; L325-F379 HydrophobicContact CD2-CE2 4.32Å; L325-F387 HydrophobicContact CD1-CE1 3.7Å; L325-F387 HydrophobicContact CD1-CZ 3.64Å
326	H	89.8	Confident	82.8	Confident	29 Å²	29	43.1 Å²	43.1	13%	0.134	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	103.1	173.7	-75	-133.2	0	0	0	107.7	E324 C330 L377 E378 F379	E324-H326 IonicContact OE1-CD2 3.69Å; E324-H326 IonicContact OE1-CE1 2.73Å; E324-H326 IonicContact OE1-NE2 2.76Å; E324-H326 PolarHBondContact OE1-NE2 3.42Å; H326-C330 CarbonylContact C-O 3.6Å; H326-C330 WeakPolarHBondContact CA-O 3.18Å; H326-L377 PolarHBondContact N-O 3.06Å; H326-E378 HydrophobicContact CB-CG 3.9Å; H326-F379 CarbonylContact O-C 3.5Å; H326-F379 WeakPolarHBondContact O-CA 3.28Å; H326-F379 PolarHBondContact O-N 3.24Å
327	V	90.8	Very high	84.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108	-175.5	-169.7	0	0	0	0	108.8	L325 N329 C330 Y332 F379 R382 G384 F387 Y418	L325-V327 HydrophobicContact CB-CG2 4.2Å; V327-N329 PolarHBondContact O-N 3.22Å; V327-C330 PolarHBondContact N-O 2.87Å; V327-C330 PolarHBondContact O-N 3.38Å; V327-Y332 HydrophobicContact CG2-CD2 4.45Å; V327-F379 HydrophobicContact CB-CB 4.47Å; V327-F379 HydrophobicContact CG1-CB 4.27Å; V327-F379 HydrophobicContact CG2-CB 4.22Å; V327-F379 HydrophobicContact CG2-CD2 4.24Å; V327-R382 HydrophobicContact CG1-CB 3.61Å; V327-G384 WeakPolarHBondContact O-CA 2.96Å; V327-F387 HydrophobicContact CB-CB 4.25Å; V327-F387 HydrophobicContact CB-CD1 4.29Å; V327-F387 HydrophobicContact CB-CG 4.15Å; V327-F387 HydrophobicContact CG1-CB 3.82Å; V327-F387 HydrophobicContact CG1-CD2 4.2Å; V327-F387 HydrophobicContact CG1-CG 3.92Å; V327-F387 HydrophobicContact CG2-CD1 3.73Å; V327-F387 HydrophobicContact CG2-CD2 4.2Å; V327-F387 HydrophobicContact CG2-CE1 3.93Å; V327-F387 HydrophobicContact CG2-CE2 4.38Å; V327-F387 HydrophobicContact CG2-CG 3.86Å; V327-F387 HydrophobicContact CG2-CZ 4.26Å; V327-Y418 WeakPolarHBondContact CG1-OH 3.09Å
328	G	89.2	Confident	86.5	Confident	29 Å²	29	33 Å²	33	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-117.4	-170.4	0	0	0	0	0	111.7	F379 R382	G328-F379 PolarHBondContact N-O 3.38Å; G328-R382 VanDerWaalsContact CA-O 3.31Å; G328-R382 WeakPolarHBondContact CA-O 3.5Å; G328-R382 PolarHBondContact N-O 3.47Å
329	N	86.4	Confident	87.8	Confident	143 Å²	143	28.8 Å²	28.8	77%	0.765	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	5.6	175.8	64.8	-27.6	0	0	0	113.8	V327	V327-N329 PolarHBondContact O-N 3.22Å
330	C	89.8	Confident	89	Confident	17 Å²	17	31.1 Å²	31.1	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148	-177.7	-65	0	0	0	0	111.7	H326 V327 Y332	H326-C330 CarbonylContact C-O 3.6Å; H326-C330 WeakPolarHBondContact CA-O 3.18Å; V327-C330 PolarHBondContact N-O 2.87Å; V327-C330 PolarHBondContact O-N 3.38Å; C330-Y332 HydrophobicContact CB-CD2 4.24Å; C330-Y332 HydrophobicContact CB-CE2 3.4Å; C330-Y332 VanDerWaalsContact CB-CE2 3.4Å
331	T	89.8	Confident	89.8	Confident	61 Å²	61	35.8 Å²	35.8	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.5	173.3	-54.6	0	0	0	0	109.2	E324 L325 F370	E324-T331 HydrophobicContact CG-CG2 3.69Å; E324-T331 WeakPolarHBondContact OE1-CG2 3.37Å; L325-T331 CarbonylContact O-C 3.48Å; L325-T331 WeakPolarHBondContact O-CA 3.34Å; T331-F370 HydrophobicContact CG2-CE2 4.07Å
332	Y	91.9	Very high	90.3	Very high	23 Å²	23	31.4 Å²	31.4	9%	0.09	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.8	177.6	-62.8	-83.6	0	0	0	110.1	E324 L325 V327 C330 G384 F387 R388 L391	E324-Y332 CarbonylContact C-O 3.57Å; E324-Y332 WeakPolarHBondContact CA-O 3.25Å; L325-Y332 PolarHBondContact N-O 2.87Å; L325-Y332 PolarHBondContact O-N 3.44Å; V327-Y332 HydrophobicContact CG2-CD2 4.45Å; C330-Y332 HydrophobicContact CB-CD2 4.24Å; C330-Y332 HydrophobicContact CB-CE2 3.4Å; C330-Y332 VanDerWaalsContact CB-CE2 3.4Å; Y332-G384 WeakPolarHBondContact CE2-O 3.37Å; Y332-G384 PolarHBondContact OH-O 3.47Å; Y332-F387 AromaticContact CD2-CD1 3.48Å; Y332-F387 HydrophobicContact CD2-CD1 3.48Å; Y332-F387 VanDerWaalsContact CD2-CD1 3.48Å; Y332-F387 HydrophobicContact CD2-CE1 4.02Å; Y332-F387 HydrophobicContact CE2-CB 4.27Å; Y332-F387 AromaticContact CE2-CD1 3.7Å; Y332-F387 HydrophobicContact CE2-CD1 3.7Å; Y332-F387 HydrophobicContact CE2-CG 4.45Å; Y332-F387 HydrophobicContact CG-CD1 4.04Å; Y332-F387 HydrophobicContact CG-CE1 4.26Å; Y332-R388 HydrophobicContact CE1-CB 4.21Å; Y332-L391 HydrophobicContact CD1-CD2 3.86Å; Y332-L391 HydrophobicContact CG-CD2 4.07Å
333	V	91.2	Very high	90.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	171.3	-172.7	0	0	0	0	109.2	G16 F71 I322 I323 E324 F370 R395	G16-V333 CarbonylContact C-O 3.53Å; G16-V333 WeakPolarHBondContact CA-O 3.22Å; G16-V333 PolarHBondContact O-N 3.45Å; F71-V333 HydrophobicContact CD2-CG1 4.39Å; F71-V333 HydrophobicContact CE2-CB 4.05Å; F71-V333 HydrophobicContact CE2-CG1 3.5Å; F71-V333 VanDerWaalsContact CE2-CG1 3.5Å; F71-V333 HydrophobicContact CZ-CB 4.42Å; F71-V333 HydrophobicContact CZ-CG1 3.75Å; I322-V333 HydrophobicContact CG2-CG1 3.53Å; I323-V333 WeakPolarHBondContact O-CA 3.19Å; E324-V333 HydrophobicContact CG-CG2 4.32Å; V333-F370 HydrophobicContact CG2-CD2 3.6Å; V333-F370 HydrophobicContact CG2-CE2 3.58Å; V333-F370 HydrophobicContact CG2-CG 4.32Å; V333-F370 HydrophobicContact CG2-CZ 4.31Å; V333-R395 PolarHBondContact O-NH2 3.01Å
334	T	92.7	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	179.7	179.6	-165.7	0	0	0	0	111.5	D73 I322 I323 L325 T338 V339 L391	D73-T334 VanDerWaalsContact CG-OG1 3.27Å; D73-T334 VanDerWaalsContact OD1-CA 3.27Å; D73-T334 WeakPolarHBondContact OD1-CA 3.36Å; D73-T334 WeakPolarHBondContact OD1-CB 3.23Å; D73-T334 PolarHBondContact OD1-OG1 2.81Å; D73-T334 PolarHBondContact OD2-OG1 2.96Å; I322-T334 WeakPolarHBondContact CA-O 3.38Å; I323-T334 PolarHBondContact N-O 3.49Å; I323-T334 PolarHBondContact O-N 2.86Å; L325-T334 HydrophobicContact CD1-CG2 3.8Å; L325-T334 HydrophobicContact CG-CG2 4.39Å; T334-T338 WeakPolarHBondContact OG1-CG2 3.48Å; T334-V339 HydrophobicContact CG2-CG2 4.45Å; T334-L391 HydrophobicContact CG2-CD1 4.12Å
335	T	91	Very high	90.7	Very high	24 Å²	24	44.1 Å²	44.1	15%	0.147	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	155.6	175	60.1	0	0	0	0	113.1	F71 D73 D321 A337 T338 V339	F71-T335 HydrophobicContact CD1-CG2 4.42Å; F71-T335 HydrophobicContact CE1-CG2 3.71Å; D73-T335 HydrophobicContact CB-CG2 3.95Å; D73-T335 WeakPolarHBondContact OD2-CB 3.37Å; D73-T335 PolarHBondContact OD2-N 2.92Å; D73-T335 PolarHBondContact OD2-OG1 2.67Å; D321-T335 CarbonylContact O-C 3.52Å; D321-T335 WeakPolarHBondContact O-CA 3.17Å; D321-T335 WeakPolarHBondContact O-CB 3.33Å; T335-A337 PolarHBondContact O-N 2.91Å; T335-T338 PolarHBondContact O-N 3.16Å; T335-T338 PolarHBondContact OG1-N 2.81Å; T335-T338 VanDerWaalsContact OG1-N 3.13Å; T335-T338 PolarHBondContact OG1-OG1 3.32Å; T335-T338 VanDerWaalsContact OG1-OG1 3.13Å; T335-V339 PolarHBondContact O-N 3.15Å
336	W	89.6	Confident	90.8	Very high	17 Å²	17	44.1 Å²	44.1	6%	0.064	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-35.8	167.4	-178.3	-106.1	0	0	0	112.5	I319 P320 D321 I323 T338 V339 Q340 A347 F350 R351 I354	I319-W336 HydrophobicContact CD1-CZ2 4.27Å; I319-W336 HydrophobicContact CG2-CB 4.2Å; I319-W336 HydrophobicContact CG2-CD2 3.3Å; I319-W336 HydrophobicContact CG2-CE3 3.7Å; I319-W336 HydrophobicContact CG2-CG 3.47Å; I319-W336 VanDerWaalsContact CG2-CG 3.47Å; I319-W336 HydrophobicContact CG2-CZ2 4.32Å; I319-W336 HydrophobicContact CG2-CZ3 4.37Å; P320-W336 WeakPolarHBondContact O-CB 3.2Å; D321-W336 PolarHBondContact O-N 3.27Å; I323-W336 HydrophobicContact CD1-CB 4.06Å; I323-W336 HydrophobicContact CD1-CE3 3.66Å; W336-T338 VanDerWaalsContact C-N 3.31Å; W336-T338 PolarHBondContact O-N 2.67Å; W336-V339 HydrophobicContact CE3-CB 4.34Å; W336-V339 HydrophobicContact CE3-CG1 4.49Å; W336-V339 HydrophobicContact CH2-CG1 4.31Å; W336-V339 HydrophobicContact CZ3-CB 4.41Å; W336-V339 HydrophobicContact CZ3-CG1 4.07Å; W336-V339 PolarHBondContact O-N 3.11Å; W336-V339 VanDerWaalsContact O-N 3.1Å; W336-Q340 WeakPolarHBondContact O-CB 3.48Å; W336-Q340 PolarHBondContact O-N 3.42Å; W336-A347 HydrophobicContact CH2-CB 4.3Å; W336-A347 WeakPolarHBondContact CH2-O 3.44Å; W336-A347 HydrophobicContact CZ2-CB 4.23Å; W336-F350 HydrophobicContact CH2-CB 4.3Å; W336-F350 HydrophobicContact CZ3-CB 3.84Å; W336-R351 HydrophobicContact CH2-CB 4.4Å; W336-R351 HydrophobicContact CH2-CG 3.51Å; W336-R351 HydrophobicContact CZ2-CG 3.87Å; W336-R351 HydrophobicContact CZ3-CG 4.37Å; W336-I354 HydrophobicContact CE3-CD1 3.9Å; W336-I354 HydrophobicContact CZ3-CD1 3.63Å
337	A	89.9	Confident	90.9	Very high	65 Å²	65	42.9 Å²	42.9	54%	0.537	24%	0.244	S	C	.	.	H	α-helix	trans	-58.2	-42.3	176.4	0	0	0	0	0	112.1	T335 V339 Q340 K341	T335-A337 PolarHBondContact O-N 2.91Å; A337-V339 VanDerWaalsContact C-N 3.31Å; A337-V339 PolarHBondContact O-N 2.81Å; A337-Q340 PolarHBondContact O-N 2.74Å; A337-K341 PolarHBondContact O-N 3.31Å; A337-K341 VanDerWaalsContact O-N 3.14Å
338	T	92.3	Very high	90.9	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-35.7	175.4	-69.8	0	0	0	0	112.7	D73 T334 T335 W336 K341 M394 R395	D73-T338 VanDerWaalsContact OD2-CB 3.31Å; D73-T338 WeakPolarHBondContact OD2-CB 3.36Å; D73-T338 PolarHBondContact OD2-OG1 3.37Å; T334-T338 WeakPolarHBondContact OG1-CG2 3.48Å; T335-T338 PolarHBondContact O-N 3.16Å; T335-T338 PolarHBondContact OG1-N 2.81Å; T335-T338 VanDerWaalsContact OG1-N 3.13Å; T335-T338 PolarHBondContact OG1-OG1 3.32Å; T335-T338 VanDerWaalsContact OG1-OG1 3.13Å; W336-T338 VanDerWaalsContact C-N 3.31Å; W336-T338 PolarHBondContact O-N 2.67Å; T338-K341 WeakPolarHBondContact O-CG 3.38Å; T338-M394 HydrophobicContact CG2-CB 3.85Å; T338-R395 HydrophobicContact CG2-CG 4.05Å
339	V	92.1	Very high	91.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-73.3	-47.5	175	-179.6	0	0	0	0	111.3	T334 T335 W336 A337 K341 Q342 F350 M394	T334-V339 HydrophobicContact CG2-CG2 4.45Å; T335-V339 PolarHBondContact O-N 3.15Å; W336-V339 HydrophobicContact CE3-CB 4.34Å; W336-V339 HydrophobicContact CE3-CG1 4.49Å; W336-V339 HydrophobicContact CH2-CG1 4.31Å; W336-V339 HydrophobicContact CZ3-CB 4.41Å; W336-V339 HydrophobicContact CZ3-CG1 4.07Å; W336-V339 PolarHBondContact O-N 3.11Å; W336-V339 VanDerWaalsContact O-N 3.1Å; A337-V339 VanDerWaalsContact C-N 3.31Å; A337-V339 PolarHBondContact O-N 2.81Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 3.44Å; V339-Q342 WeakPolarHBondContact O-CB 3.33Å; V339-Q342 PolarHBondContact O-N 3.2Å; V339-F350 HydrophobicContact CG1-CB 3.79Å; V339-F350 HydrophobicContact CG1-CD1 4.12Å; V339-F350 HydrophobicContact CG1-CD2 3.83Å; V339-F350 HydrophobicContact CG1-CE2 4.42Å; V339-F350 HydrophobicContact CG1-CG 3.65Å; V339-F350 HydrophobicContact CG2-CD1 4.08Å; V339-F350 HydrophobicContact CG2-CE1 4.23Å; V339-F350 HydrophobicContact CG2-CG 4.45Å; V339-M394 HydrophobicContact CB-CE 4.1Å; V339-M394 HydrophobicContact CG1-CE 4.3Å; V339-M394 HydrophobicContact CG2-CE 3.82Å
340	Q	90.6	Very high	91.3	Very high	83 Å²	83	39.9 Å²	39.9	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-34.6	-172.6	-177.1	171.1	-7.9	0	0	112.6	W336 A337 Q342 G343	W336-Q340 WeakPolarHBondContact O-CB 3.48Å; W336-Q340 PolarHBondContact O-N 3.42Å; A337-Q340 PolarHBondContact O-N 2.74Å; Q340-Q342 PolarHBondContact O-N 2.77Å; Q340-G343 PolarHBondContact O-N 3.11Å
341	K	91.5	Very high	91.3	Very high	111 Å²	111	41.3 Å²	41.3	48%	0.483	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.3	-178.9	74.9	-173.5	-174.3	-177.2	0	114.5	A337 T338 V339 G343 M394 R395	A337-K341 PolarHBondContact O-N 3.31Å; A337-K341 VanDerWaalsContact O-N 3.14Å; T338-K341 WeakPolarHBondContact O-CG 3.38Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 3.44Å; K341-G343 VanDerWaalsContact C-N 3.29Å; K341-G343 PolarHBondContact O-N 3.41Å; K341-M394 WeakPolarHBondContact CE-O 3.31Å; K341-M394 PolarHBondContact NZ-O 2.79Å; K341-M394 VanDerWaalsContact NZ-O 3.16Å; K341-R395 PolarHBondContact NZ-O 2.84Å
342	Q	92.3	Very high	91.2	Very high	34 Å²	34	43.8 Å²	43.8	16%	0.159	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.5	-179.6	-57.9	-54.6	-51.2	0	0	114.4	V339 Q340 T346 Y393 M394 L420	V339-Q342 WeakPolarHBondContact O-CB 3.33Å; V339-Q342 PolarHBondContact O-N 3.2Å; Q340-Q342 PolarHBondContact O-N 2.77Å; Q342-T346 HydrophobicContact CB-CG2 4.04Å; Q342-Y393 VanDerWaalsContact OE1-CE1 3.24Å; Q342-M394 HydrophobicContact CG-CB 4.17Å; Q342-M394 HydrophobicContact CG-CE 4Å; Q342-M394 HydrophobicContact CG-CG 3.83Å; Q342-M394 VanDerWaalsContact NE2-CA 3.33Å; Q342-M394 PolarHBondContact NE2-O 3.37Å; Q342-L420 HydrophobicContact CB-CD2 3.66Å; Q342-L420 HydrophobicContact CG-CD2 3.9Å
343	G	89.7	Confident	91	Very high	36 Å²	36	46.6 Å²	46.6	37%	0.371	24%	0.242	S	C	.	.			trans	112.7	168.1	-178.1	0	0	0	0	0	113.3	Q340 K341 D345 A347	Q340-G343 PolarHBondContact O-N 3.11Å; K341-G343 VanDerWaalsContact C-N 3.29Å; K341-G343 PolarHBondContact O-N 3.41Å; G343-D345 PolarHBondContact O-N 2.76Å; G343-A347 WeakPolarHBondContact O-CB 3.39Å; G343-A347 PolarHBondContact O-N 3.02Å; G343-A347 VanDerWaalsContact O-N 3.11Å
344	M	90.8	Very high	90.6	Very high	145 Å²	145	46.9 Å²	46.9	71%	0.714	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-40.9	-169.7	-72.6	-162.4	68	0	0	113.6	A347 E348	M344-A347 PolarHBondContact O-N 2.95Å; M344-E348 VanDerWaalsContact O-CB 3.23Å; M344-E348 WeakPolarHBondContact O-CB 3.49Å; M344-E348 PolarHBondContact O-N 3.25Å
345	D	93.1	Very high	90.1	Very high	96 Å²	96	49.7 Å²	49.7	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-45.5	-177	-69.2	-13.8	0	0	0	111.8	G343 E348 L349 K419	G343-D345 PolarHBondContact O-N 2.76Å; D345-E348 PolarHBondContact O-N 2.68Å; D345-L349 PolarHBondContact O-N 3.01Å; D345-K419 HydrophobicContact CB-CB 3.94Å; D345-K419 HydrophobicContact CB-CG 4.37Å
346	T	92.8	Very high	89.5	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-47.7	176.6	-54.2	0	0	0	0	110.9	Q342 E348 L349 F350 M394 Y418 L420	Q342-T346 HydrophobicContact CB-CG2 4.04Å; T346-E348 PolarHBondContact O-N 3.35Å; T346-L349 WeakPolarHBondContact O-CB 3.24Å; T346-L349 PolarHBondContact O-N 2.98Å; T346-F350 HydrophobicContact CG2-CD2 4.26Å; T346-F350 HydrophobicContact CG2-CE2 4.17Å; T346-F350 WeakPolarHBondContact O-CD2 3.21Å; T346-F350 PolarHBondContact O-N 3.32Å; T346-M394 HydrophobicContact CG2-CE 4.48Å; T346-Y418 WeakPolarHBondContact CG2-O 3.17Å; T346-Y418 PolarHBondContact OG1-O 3.43Å; T346-L420 HydrophobicContact CG2-CD2 4.05Å
347	A	91.7	Very high	88.6	Confident	3 Å²	3	51 Å²	51	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-37.8	177.5	0	0	0	0	0	111.5	W336 G343 M344 F350 R351	W336-A347 HydrophobicContact CH2-CB 4.3Å; W336-A347 WeakPolarHBondContact CH2-O 3.44Å; W336-A347 HydrophobicContact CZ2-CB 4.23Å; G343-A347 WeakPolarHBondContact O-CB 3.39Å; G343-A347 PolarHBondContact O-N 3.02Å; G343-A347 VanDerWaalsContact O-N 3.11Å; M344-A347 PolarHBondContact O-N 2.95Å; A347-F350 PolarHBondContact O-N 3.39Å; A347-R351 WeakPolarHBondContact O-CB 2.92Å; A347-R351 PolarHBondContact O-N 3.48Å
348	E	91.3	Very high	87.5	Confident	78 Å²	78	53.3 Å²	53.3	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-68.9	-39.9	178.9	-169.4	54.8	-152.2	0	0	112.7	M344 D345 T346 F350 R351 Q352	M344-E348 VanDerWaalsContact O-CB 3.23Å; M344-E348 WeakPolarHBondContact O-CB 3.49Å; M344-E348 PolarHBondContact O-N 3.25Å; D345-E348 PolarHBondContact O-N 2.68Å; T346-E348 PolarHBondContact O-N 3.35Å; E348-F350 VanDerWaalsContact C-N 3.32Å; E348-F350 PolarHBondContact O-N 2.99Å; E348-R351 PolarHBondContact O-N 3.34Å; E348-R351 IonicContact OE2-CZ 2.86Å; E348-R351 IonicContact OE2-NE 2.7Å; E348-R351 PolarHBondContact OE2-NE 2.77Å; E348-R351 IonicContact OE2-NH2 3.36Å; E348-R351 PolarHBondContact OE2-NH2 2.89Å; E348-Q352 WeakPolarHBondContact O-CB 3.39Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.24Å; E348-Q352 PolarHBondContact O-N 3.17Å; E348-Q352 PolarHBondContact OE1-NE2 2.92Å
349	L	92.2	Very high	86	Confident	30 Å²	30	57.3 Å²	57.3	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-55.6	-47.2	172.9	175.5	67.5	0	0	0	111.7	D345 T346 K353 Y418 K419	D345-L349 PolarHBondContact O-N 3.01Å; T346-L349 WeakPolarHBondContact O-CB 3.24Å; T346-L349 PolarHBondContact O-N 2.98Å; L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 3.37Å; L349-Y418 HydrophobicContact CD2-CD1 4.35Å; L349-K419 HydrophobicContact CD2-CG 4.44Å
350	F	91.8	Very high	84.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.9	-38.8	179.6	-80.7	-109.4	0	0	0	112.1	L325 W336 V339 T346 A347 E348 Q352 K353 I354 L377 F379 Y418	L325-F350 HydrophobicContact CD1-CE1 4.05Å; L325-F350 HydrophobicContact CD2-CD1 4.3Å; L325-F350 HydrophobicContact CD2-CE1 3.8Å; W336-F350 HydrophobicContact CH2-CB 4.3Å; W336-F350 HydrophobicContact CZ3-CB 3.84Å; V339-F350 HydrophobicContact CG1-CB 3.79Å; V339-F350 HydrophobicContact CG1-CD1 4.12Å; V339-F350 HydrophobicContact CG1-CD2 3.83Å; V339-F350 HydrophobicContact CG1-CE2 4.42Å; V339-F350 HydrophobicContact CG1-CG 3.65Å; V339-F350 HydrophobicContact CG2-CD1 4.08Å; V339-F350 HydrophobicContact CG2-CE1 4.23Å; V339-F350 HydrophobicContact CG2-CG 4.45Å; T346-F350 HydrophobicContact CG2-CD2 4.26Å; T346-F350 HydrophobicContact CG2-CE2 4.17Å; T346-F350 WeakPolarHBondContact O-CD2 3.21Å; T346-F350 PolarHBondContact O-N 3.32Å; A347-F350 PolarHBondContact O-N 3.39Å; E348-F350 VanDerWaalsContact C-N 3.32Å; E348-F350 PolarHBondContact O-N 2.99Å; F350-Q352 VanDerWaalsContact C-N 3.34Å; F350-Q352 PolarHBondContact O-N 2.96Å; F350-K353 WeakPolarHBondContact O-CB 3.41Å; F350-K353 PolarHBondContact O-N 2.96Å; F350-K353 VanDerWaalsContact O-N 3.17Å; F350-I354 WeakPolarHBondContact O-CG1 3.04Å; F350-I354 PolarHBondContact O-N 2.89Å; F350-L377 HydrophobicContact CD1-CD1 3.84Å; F350-F379 HydrophobicContact CE1-CE2 4.35Å; F350-F379 HydrophobicContact CE1-CZ 4.3Å; F350-F379 HydrophobicContact CZ-CZ 4.45Å; F350-Y418 HydrophobicContact CE2-CD1 4.04Å; F350-Y418 HydrophobicContact CZ-CD1 4.19Å; F350-Y418 HydrophobicContact CZ-CE1 4.49Å
351	R	89.1	Confident	82.4	Confident	47 Å²	47	65.1 Å²	65.1	18%	0.177	35%	0.347	C	S	.	.	H	α-helix	trans	-56.6	-47.3	172.9	-89.7	-172.2	-67.5	-92.3	-4.4	111.5	I319 W336 A347 E348 K353 I354 T355	I319-R351 HydrophobicContact CD1-CG 4.29Å; W336-R351 HydrophobicContact CH2-CB 4.4Å; W336-R351 HydrophobicContact CH2-CG 3.51Å; W336-R351 HydrophobicContact CZ2-CG 3.87Å; W336-R351 HydrophobicContact CZ3-CG 4.37Å; A347-R351 WeakPolarHBondContact O-CB 2.92Å; A347-R351 PolarHBondContact O-N 3.48Å; E348-R351 PolarHBondContact O-N 3.34Å; E348-R351 IonicContact OE2-CZ 2.86Å; E348-R351 IonicContact OE2-NE 2.7Å; E348-R351 PolarHBondContact OE2-NE 2.77Å; E348-R351 IonicContact OE2-NH2 3.36Å; E348-R351 PolarHBondContact OE2-NH2 2.89Å; R351-K353 VanDerWaalsContact C-N 3.26Å; R351-K353 PolarHBondContact O-N 2.73Å; R351-I354 PolarHBondContact O-N 2.89Å; R351-I354 VanDerWaalsContact O-N 3.15Å; R351-T355 PolarHBondContact O-N 3.18Å; R351-T355 PolarHBondContact O-OG1 2.98Å; R351-T355 VanDerWaalsContact O-OG1 3.1Å
352	Q	87.4	Confident	80.3	Confident	114 Å²	114	68 Å²	68	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-39.6	178	-73.2	173.7	10.5	0	0	111.9	E348 F350 A356	E348-Q352 WeakPolarHBondContact O-CB 3.39Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.24Å; E348-Q352 PolarHBondContact O-N 3.17Å; E348-Q352 PolarHBondContact OE1-NE2 2.92Å; F350-Q352 VanDerWaalsContact C-N 3.34Å; F350-Q352 PolarHBondContact O-N 2.96Å; Q352-A356 VanDerWaalsContact O-CB 3.3Å; Q352-A356 WeakPolarHBondContact O-CB 3.08Å; Q352-A356 PolarHBondContact O-N 3.18Å
353	K	87.2	Confident	78.2	Confident	82 Å²	82	68 Å²	68	36%	0.357	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174.8	-74	-74.2	-172	169.1	0	112.6	L349 F350 R351 A356 S357 L377 F379	L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 3.37Å; F350-K353 WeakPolarHBondContact O-CB 3.41Å; F350-K353 PolarHBondContact O-N 2.96Å; F350-K353 VanDerWaalsContact O-N 3.17Å; R351-K353 VanDerWaalsContact C-N 3.26Å; R351-K353 PolarHBondContact O-N 2.73Å; K353-A356 PolarHBondContact O-N 2.92Å; K353-S357 PolarHBondContact O-N 2.97Å; K353-L377 HydrophobicContact CB-CD2 4.27Å; K353-F379 HydrophobicContact CB-CZ 4.48Å; K353-F379 HydrophobicContact CD-CE1 4.25Å; K353-F379 HydrophobicContact CD-CZ 4.44Å; K353-F379 HydrophobicContact CG-CE1 4.02Å; K353-F379 HydrophobicContact CG-CZ 3.93Å
354	I	84.1	Confident	76.3	Confident	6 Å²	6	74 Å²	74	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-48.4	175.2	-67.1	162.1	0	0	0	110	I319 P320 I323 W336 F350 R351 A356 S357 K358 L377	I319-I354 HydrophobicContact CG2-CD1 4.49Å; P320-I354 HydrophobicContact CG-CD1 4.26Å; I323-I354 HydrophobicContact CD1-CD1 4.49Å; W336-I354 HydrophobicContact CE3-CD1 3.9Å; W336-I354 HydrophobicContact CZ3-CD1 3.63Å; F350-I354 WeakPolarHBondContact O-CG1 3.04Å; F350-I354 PolarHBondContact O-N 2.89Å; R351-I354 PolarHBondContact O-N 2.89Å; R351-I354 VanDerWaalsContact O-N 3.15Å; I354-A356 PolarHBondContact O-N 3.38Å; I354-S357 PolarHBondContact O-N 2.81Å; I354-S357 PolarHBondContact O-OG 2.73Å; I354-K358 PolarHBondContact O-N 2.88Å; I354-L377 HydrophobicContact CB-CD2 4.28Å; I354-L377 HydrophobicContact CD1-CD1 4.47Å; I354-L377 HydrophobicContact CG1-CD1 3.88Å; I354-L377 HydrophobicContact CG1-CD2 3.6Å; I354-L377 HydrophobicContact CG1-CG 4.27Å
355	T	81.9	Confident	74.2	Confident	59 Å²	59	75.7 Å²	75.7	36%	0.362	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-42.1	-179.5	-55.5	0	0	0	0	111.7	M314 R351 S357 K358 S359	M314-T355 HydrophobicContact CE-CG2 4.43Å; M314-T355 PolarHBondContact SD-OG1 3.32Å; M314-T355 VanDerWaalsContact SD-OG1 3.4Å; R351-T355 PolarHBondContact O-N 3.18Å; R351-T355 PolarHBondContact O-OG1 2.98Å; R351-T355 VanDerWaalsContact O-OG1 3.1Å; T355-S357 VanDerWaalsContact C-N 3.31Å; T355-S357 PolarHBondContact O-N 2.74Å; T355-K358 PolarHBondContact O-N 3.2Å; T355-S359 PolarHBondContact O-N 2.61Å
356	A	78.4	Confident	72.3	Confident	50 Å²	50	75.7 Å²	75.7	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-38.2	175.1	0	0	0	0	0	112.3	Q352 K353 I354 K358 S359 D360	Q352-A356 VanDerWaalsContact O-CB 3.3Å; Q352-A356 WeakPolarHBondContact O-CB 3.08Å; Q352-A356 PolarHBondContact O-N 3.18Å; K353-A356 PolarHBondContact O-N 2.92Å; I354-A356 PolarHBondContact O-N 3.38Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.85Å; A356-S359 PolarHBondContact O-N 2.9Å; A356-S359 PolarHBondContact O-OG 2.81Å; A356-D360 PolarHBondContact O-N 3.5Å
357	S	70.3	Confident	70.5	Confident	19 Å²	19	84.9 Å²	84.9	13%	0.133	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-27.3	176.3	68.9	0	0	0	0	113.8	K353 I354 T355	K353-S357 PolarHBondContact O-N 2.97Å; I354-S357 PolarHBondContact O-N 2.81Å; I354-S357 PolarHBondContact O-OG 2.73Å; T355-S357 VanDerWaalsContact C-N 3.31Å; T355-S357 PolarHBondContact O-N 2.74Å
358	K	67.9	Low	69	Low	114 Å²	114	86.4 Å²	86.4	50%	0.496	43%	0.434	S	S	.	.	H	α-helix	trans	-75.7	-28	176.1	-72	-174.5	-178.4	-177.5	0	112.2	D318 I354 T355 A356	D318-K358 PolarHBondContact O-NZ 2.78Å; D318-K358 IonicContact OD1-NZ 3.42Å; I354-K358 PolarHBondContact O-N 2.88Å; T355-K358 PolarHBondContact O-N 3.2Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.85Å
359	S	60.7	Low	67.5	Low	94 Å²	94	85.1 Å²	85.1	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-79	-26.9	177.4	47.8	0	0	0	0	113.9	T355 A356	T355-S359 PolarHBondContact O-N 2.61Å; A356-S359 PolarHBondContact O-N 2.9Å; A356-S359 PolarHBondContact O-OG 2.81Å
360	D	55.3	Low	65.9	Low	103 Å²	103	84.8 Å²	84.8	55%	0.551	43%	0.434	S	S	*	.			trans	-94	97.4	173.2	-85.8	-29	0	0	0	109.6	A356 K362 M363	A356-D360 PolarHBondContact O-N 3.5Å; D360-K362 PolarHBondContact O-N 2.71Å; D360-M363 PolarHBondContact O-N 3.39Å; D360-M363 VanDerWaalsContact O-N 3.1Å
361	D	50.8	Low	64.2	Low	144 Å²	144	89.7 Å²	89.7	77%	0.77	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	11.7	174.4	-152.5	20.3	0	0	0	114
362	K	48.3	Very low	62.8	Low	172 Å²	172	89.7 Å²	89.7	75%	0.748	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-26.1	173.2	-74.3	-179.1	177.8	174.5	0	113.4	D360 L364 K365	D360-K362 PolarHBondContact O-N 2.71Å; K362-L364 VanDerWaalsContact C-N 3.31Å; K362-L364 PolarHBondContact O-N 3.02Å; K362-K365 PolarHBondContact O-N 2.73Å
363	M	48	Very low	61.5	Low	35 Å²	35	85.4 Å²	85.4	17%	0.172	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-68.4	-26.4	-173	-79.5	-113.1	65.7	0	0	113.6	D360 K365 E378	D360-M363 PolarHBondContact O-N 3.39Å; D360-M363 VanDerWaalsContact O-N 3.1Å; M363-K365 PolarHBondContact O-N 3.45Å; M363-E378 HydrophobicContact CE-CB 4.38Å; M363-E378 HydrophobicContact CE-CG 3.65Å; M363-E378 VanDerWaalsContact CE-OE2 3.22Å; M363-E378 WeakPolarHBondContact CE-OE2 3.43Å
364	L	50.3	Low	60.7	Low	160 Å²	160	85.9 Å²	85.9	84%	0.838	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-75.9	-1.2	175.2	-96.6	109.3	0	0	0	114.9	K362	K362-L364 VanDerWaalsContact C-N 3.31Å; K362-L364 PolarHBondContact O-N 3.02Å
365	K	45	Very low	60.4	Low	181 Å²	181	86.3 Å²	86.3	79%	0.787	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-89.3	-10.7	-179	-70.5	-171.2	180	-179.8	0	114.9	K362 M363	K362-K365 PolarHBondContact O-N 2.73Å; M363-K365 PolarHBondContact O-N 3.45Å
366	K	53	Low	60.4	Low	97 Å²	97	84.8 Å²	84.8	42%	0.422	46%	0.456	S	S	.	.	S	Bend	trans	-83.5	120.5	168.1	-108.2	179.5	-178.6	174.2	0	108.2	S368 E378	K366-S368 PolarHBondContact O-N 3.46Å; K366-E378 WeakPolarHBondContact CD-OE1 3.02Å; K366-E378 IonicContact NZ-OE1 3.79Å; K366-E378 PolarHBondContact NZ-OE1 3.44Å
367	Q	55.5	Low	60.8	Low	195 Å²	195	82.5 Å²	82.5	91%	0.911	44%	0.436	S	S	*	.			trans	-58.5	114	170.7	-147.3	168.1	20.8	0	0	106.8	A369	Q367-A369 PolarHBondContact O-N 2.9Å
368	S	60.9	Low	61.5	Low	35 Å²	35	83.5 Å²	83.5	25%	0.245	44%	0.439	C	S	.	.			trans	-51.7	140	175.1	169.5	0	0	0	0	108.8	E324 K366 F370 P373	E324-S368 PolarHBondContact OE2-OG 2.85Å; K366-S368 PolarHBondContact O-N 3.46Å; S368-F370 WeakPolarHBondContact CB-O 3.5Å; S368-F370 PolarHBondContact O-N 2.86Å; S368-F370 VanDerWaalsContact O-N 3.12Å; S368-F370 PolarHBondContact OG-N 3.2Å; S368-F370 PolarHBondContact OG-O 2.82Å; S368-P373 VanDerWaalsContact OG-CD 3.28Å; S368-P373 WeakPolarHBondContact OG-CD 3.44Å; S368-P373 WeakPolarHBondContact OG-CG 3.28Å
369	A	59.1	Low	62.3	Low	50 Å²	50	78.3 Å²	78.3	41%	0.413	42%	0.416	S	S	.	.	S	Bend	trans	-63.2	-14.6	171.6	0	0	0	0	0	111.7	K19 Q367	K19-A369 WeakPolarHBondContact CE-O 3.46Å; K19-A369 PolarHBondContact NZ-O 2.89Å; Q367-A369 PolarHBondContact O-N 2.9Å
370	F	60	Low	62.9	Low	23 Å²	23	80.3 Å²	80.3	10%	0.101	41%	0.413	C	S	.	.	S	Bend	trans	-128.3	143	-172.8	-53.1	-73	0	0	0	111.3	N14 G17 K19 E324 T331 V333 S368 N372 P373	N14-F370 WeakPolarHBondContact ND2-CD1 3.25Å; G17-F370 WeakPolarHBondContact O-CE1 3.26Å; G17-F370 WeakPolarHBondContact O-CZ 3.15Å; K19-F370 HydrophobicContact CD-CD1 4.44Å; K19-F370 HydrophobicContact CD-CE1 4.46Å; K19-F370 HydrophobicContact CG-CD1 4.29Å; K19-F370 HydrophobicContact CG-CE1 4.14Å; E324-F370 HydrophobicContact CG-CD2 4.31Å; T331-F370 HydrophobicContact CG2-CE2 4.07Å; V333-F370 HydrophobicContact CG2-CD2 3.6Å; V333-F370 HydrophobicContact CG2-CE2 3.58Å; V333-F370 HydrophobicContact CG2-CG 4.32Å; V333-F370 HydrophobicContact CG2-CZ 4.31Å; S368-F370 WeakPolarHBondContact CB-O 3.5Å; S368-F370 PolarHBondContact O-N 2.86Å; S368-F370 VanDerWaalsContact O-N 3.12Å; S368-F370 PolarHBondContact OG-N 3.2Å; S368-F370 PolarHBondContact OG-O 2.82Å; F370-N372 PolarHBondContact O-N 2.86Å; F370-P373 HydrophobicContact CB-CG 4.36Å; F370-P373 WeakPolarHBondContact O-CD 3.32Å
371	P	55	Low	64.3	Low	104 Å²	104	82.6 Å²	82.6	68%	0.675	43%	0.426	S	S	*	.	S	Bend	trans	-65.9	-12.9	-171.9	-22.4	33.2	0	0	0	115.7
372	N	60.6	Low	66.2	Low	46 Å²	46	78.5 Å²	78.5	25%	0.246	40%	0.4	C	S	.	.			trans	-147.4	22	-164.7	-61	-46.1	0	0	0	118.3	F65 S67 F370 T374	F65-N372 WeakPolarHBondContact CB-ND2 3.5Å; F65-N372 HydrophobicContact CD1-CB 3.3Å; F65-N372 HydrophobicContact CE1-CB 3.31Å; F65-N372 HydrophobicContact CG-CB 3.96Å; F65-N372 WeakPolarHBondContact CG-ND2 3.22Å; F65-N372 HydrophobicContact CZ-CB 3.97Å; S67-N372 PolarHBondContact OG-ND2 3.17Å; S67-N372 VanDerWaalsContact OG-ND2 3.15Å; F370-N372 PolarHBondContact O-N 2.86Å; N372-T374 PolarHBondContact O-N 3.29Å
373	P	59.9	Low	68.3	Low	25 Å²	25	73.6 Å²	73.6	16%	0.162	38%	0.381	C	S	.	.			trans	-69.6	133	173.1	25.3	-23.7	0	0	0	109.7	E324 S368 F370 A375	E324-P373 HydrophobicContact CB-CB 3.88Å; E324-P373 HydrophobicContact CB-CG 4.14Å; E324-P373 VanDerWaalsContact OE2-CG 3.25Å; E324-P373 WeakPolarHBondContact OE2-CG 3.46Å; S368-P373 VanDerWaalsContact OG-CD 3.28Å; S368-P373 WeakPolarHBondContact OG-CD 3.44Å; S368-P373 WeakPolarHBondContact OG-CG 3.28Å; F370-P373 HydrophobicContact CB-CG 4.36Å; F370-P373 WeakPolarHBondContact O-CD 3.32Å; P373-A375 VanDerWaalsContact C-N 3.3Å
374	T	69.2	Low	70.2	Confident	92 Å²	92	72 Å²	72	56%	0.564	37%	0.374	S	S	*	.	S	Bend	trans	-81.2	-13.5	-177.3	36.2	0	0	0	0	112.3	P320 D321 I322 N372	P320-T374 WeakPolarHBondContact CA-OG1 3.03Å; P320-T374 WeakPolarHBondContact CB-OG1 3.38Å; D321-T374 PolarHBondContact N-OG1 2.98Å; I322-T374 PolarHBondContact N-OG1 3.3Å; I322-T374 PolarHBondContact O-N 2.75Å; I322-T374 PolarHBondContact O-OG1 3.22Å; N372-T374 PolarHBondContact O-N 3.29Å
375	A	78.4	Confident	72.2	Confident	15 Å²	15	69.4 Å²	69.4	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.7	162.1	0	0	0	0	0	113.8	P320 I322 E324 P373	P320-A375 HydrophobicContact CB-CB 3.88Å; P320-A375 HydrophobicContact CG-CB 3.47Å; P320-A375 VanDerWaalsContact CG-CB 3.47Å; I322-A375 PolarHBondContact O-N 3.41Å; E324-A375 PolarHBondContact N-O 3.02Å; P373-A375 VanDerWaalsContact C-N 3.3Å
376	I	82.7	Confident	74.6	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.138	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.1	174.2	-53.4	175.4	0	0	0	108.4	E324	E324-I376 HydrophobicContact CB-CG1 4.28Å; E324-I376 CarbonylContact O-C 3.59Å; E324-I376 WeakPolarHBondContact O-CA 3.11Å
377	L	86.7	Confident	76.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	179.7	-55.1	-177.9	0	0	0	111.3	I323 E324 L325 H326 F350 K353 I354 F379	I323-L377 HydrophobicContact CG2-CD1 3.62Å; I323-L377 HydrophobicContact CG2-CG 3.76Å; E324-L377 PolarHBondContact O-N 3.28Å; L325-L377 CarbonylContact C-O 3.58Å; L325-L377 WeakPolarHBondContact CA-O 3.26Å; L325-L377 HydrophobicContact CD2-CB 3.86Å; L325-L377 HydrophobicContact CD2-CD1 3.76Å; L325-L377 HydrophobicContact CD2-CG 4.13Å; H326-L377 PolarHBondContact N-O 3.06Å; F350-L377 HydrophobicContact CD1-CD1 3.84Å; K353-L377 HydrophobicContact CB-CD2 4.27Å; I354-L377 HydrophobicContact CB-CD2 4.28Å; I354-L377 HydrophobicContact CD1-CD1 4.47Å; I354-L377 HydrophobicContact CG1-CD1 3.88Å; I354-L377 HydrophobicContact CG1-CD2 3.6Å; I354-L377 HydrophobicContact CG1-CG 4.27Å; L377-F379 HydrophobicContact CB-CD2 4.49Å; L377-F379 HydrophobicContact CB-CE2 3.88Å
378	E	84.3	Confident	78.4	Confident	41 Å²	41	48.7 Å²	48.7	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.2	-178.8	-74.2	177.1	156.7	0	0	113.2	H326 M363 K366 F380	H326-E378 HydrophobicContact CB-CG 3.9Å; M363-E378 HydrophobicContact CE-CB 4.38Å; M363-E378 HydrophobicContact CE-CG 3.65Å; M363-E378 VanDerWaalsContact CE-OE2 3.22Å; M363-E378 WeakPolarHBondContact CE-OE2 3.43Å; K366-E378 WeakPolarHBondContact CD-OE1 3.02Å; K366-E378 IonicContact NZ-OE1 3.79Å; K366-E378 PolarHBondContact NZ-OE1 3.44Å; E378-F380 HydrophobicContact CB-CD2 4.11Å; E378-F380 HydrophobicContact CB-CE2 3.67Å; E378-F380 HydrophobicContact CB-CZ 3.95Å; E378-F380 HydrophobicContact CG-CE1 4.4Å; E378-F380 HydrophobicContact CG-CE2 4.07Å; E378-F380 HydrophobicContact CG-CZ 3.84Å; E378-F380 WeakPolarHBondContact OE1-CZ 3.33Å; E378-F380 WeakPolarHBondContact OE2-CE2 2.97Å; E378-F380 WeakPolarHBondContact OE2-CZ 3.26Å
379	F	84.1	Confident	80.1	Confident	5 Å²	5	49 Å²	49	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	65.3	177.4	-63.4	-88.6	0	0	0	109.3	L325 H326 V327 G328 F350 K353 L377 D381 R382 F417 Y418	L325-F379 HydrophobicContact CD2-CE2 4.32Å; H326-F379 CarbonylContact O-C 3.5Å; H326-F379 WeakPolarHBondContact O-CA 3.28Å; H326-F379 PolarHBondContact O-N 3.24Å; V327-F379 HydrophobicContact CB-CB 4.47Å; V327-F379 HydrophobicContact CG1-CB 4.27Å; V327-F379 HydrophobicContact CG2-CB 4.22Å; V327-F379 HydrophobicContact CG2-CD2 4.24Å; G328-F379 PolarHBondContact N-O 3.38Å; F350-F379 HydrophobicContact CE1-CE2 4.35Å; F350-F379 HydrophobicContact CE1-CZ 4.3Å; F350-F379 HydrophobicContact CZ-CZ 4.45Å; K353-F379 HydrophobicContact CB-CZ 4.48Å; K353-F379 HydrophobicContact CD-CE1 4.25Å; K353-F379 HydrophobicContact CD-CZ 4.44Å; K353-F379 HydrophobicContact CG-CE1 4.02Å; K353-F379 HydrophobicContact CG-CZ 3.93Å; L377-F379 HydrophobicContact CB-CD2 4.49Å; L377-F379 HydrophobicContact CB-CE2 3.88Å; F379-D381 VanDerWaalsContact C-N 3.34Å; F379-D381 PolarHBondContact O-N 3.31Å; F379-R382 HydrophobicContact CB-CB 4.48Å; F379-R382 HydrophobicContact CB-CG 3.99Å; F379-F417 HydrophobicContact CD1-CE1 4.06Å; F379-F417 HydrophobicContact CD1-CZ 4.32Å; F379-F417 HydrophobicContact CE1-CE1 4.31Å; F379-Y418 HydrophobicContact CD1-CE1 4.26Å; F379-Y418 HydrophobicContact CE1-CE1 4.2Å
380	F	74.8	Confident	81.9	Confident	135 Å²	135	46.7 Å²	46.7	59%	0.592	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.3	-171.5	-68.9	-67.7	0	0	0	115.9	E378 R382	E378-F380 HydrophobicContact CB-CD2 4.11Å; E378-F380 HydrophobicContact CB-CE2 3.67Å; E378-F380 HydrophobicContact CB-CZ 3.95Å; E378-F380 HydrophobicContact CG-CE1 4.4Å; E378-F380 HydrophobicContact CG-CE2 4.07Å; E378-F380 HydrophobicContact CG-CZ 3.84Å; E378-F380 WeakPolarHBondContact OE1-CZ 3.33Å; E378-F380 WeakPolarHBondContact OE2-CE2 2.97Å; E378-F380 WeakPolarHBondContact OE2-CZ 3.26Å; F380-R382 PolarHBondContact O-N 3.38Å
381	D	83.1	Confident	83.6	Confident	152 Å²	152	45.6 Å²	45.6	81%	0.813	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	37.3	-171.4	-167.1	30.6	0	0	0	112.4	F379	F379-D381 VanDerWaalsContact C-N 3.34Å; F379-D381 PolarHBondContact O-N 3.31Å
382	R	92.3	Very high	85.5	Confident	58 Å²	58	41.8 Å²	41.8	22%	0.219	21%	0.209	C	C	.	.	S	Bend	trans	-127.4	156.1	-178.9	-56.6	-53.6	-55.8	161.5	-6.9	110.3	V327 G328 F379 F380 G384 E414 F417	V327-R382 HydrophobicContact CG1-CB 3.61Å; G328-R382 VanDerWaalsContact CA-O 3.31Å; G328-R382 WeakPolarHBondContact CA-O 3.5Å; G328-R382 PolarHBondContact N-O 3.47Å; F379-R382 HydrophobicContact CB-CB 4.48Å; F379-R382 HydrophobicContact CB-CG 3.99Å; F380-R382 PolarHBondContact O-N 3.38Å; R382-G384 PolarHBondContact O-N 3.11Å; R382-E414 IonicContact CZ-OE1 2.9Å; R382-E414 IonicContact CZ-OE2 3.34Å; R382-E414 IonicContact NE-OE1 3.63Å; R382-E414 IonicContact NE-OE2 2.68Å; R382-E414 PolarHBondContact NE-OE2 3.05Å; R382-E414 IonicContact NH1-OE1 3.5Å; R382-E414 IonicContact NH2-OE1 3.65Å; R382-E414 PolarHBondContact NH2-OE1 2.97Å; R382-E414 IonicContact NH2-OE2 3.71Å; R382-E414 PolarHBondContact NH2-OE2 2.92Å; R382-F417 HydrophobicContact CG-CD1 4.48Å; R382-F417 HydrophobicContact CG-CE1 3.98Å; R382-F417 HydrophobicContact CG-CZ 4.19Å; R382-F417 VanDerWaalsContact CZ-CG 3.45Å
383	D	90.5	Very high	87.2	Confident	69 Å²	69	40 Å²	40	37%	0.369	20%	0.199	S	C	.	.			trans	-76.8	108.4	178.1	-168	-43	0	0	0	110.7	E385 L386 F387 E414	D383-E385 PolarHBondContact OD1-N 3.46Å; D383-L386 HydrophobicContact CB-CB 4.06Å; D383-L386 HydrophobicContact CB-CD1 4.04Å; D383-L386 HydrophobicContact CB-CG 4.2Å; D383-L386 PolarHBondContact OD1-N 2.95Å; D383-L386 WeakPolarHBondContact OD2-CD1 3.25Å; D383-F387 WeakPolarHBondContact O-CB 3.19Å; D383-F387 PolarHBondContact O-N 2.87Å; D383-F387 VanDerWaalsContact O-N 3.11Å; D383-E414 HydrophobicContact CB-CG 4.46Å
384	G	89.8	Confident	88.9	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-40.6	179.8	0	0	0	0	0	112.9	V327 Y332 R382 F387	V327-G384 WeakPolarHBondContact O-CA 2.96Å; Y332-G384 WeakPolarHBondContact CE2-O 3.37Å; Y332-G384 PolarHBondContact OH-O 3.47Å; R382-G384 PolarHBondContact O-N 3.11Å; G384-F387 WeakPolarHBondContact O-CB 3.26Å; G384-F387 PolarHBondContact O-N 2.76Å
385	E	91.4	Very high	90	Very high	105 Å²	105	35.2 Å²	35.2	49%	0.491	17%	0.167	S	C	.	.	H	α-helix	trans	-68.3	-42.3	-177.8	-69.7	-63.8	152.1	0	0	111.2	D383 F387 R388	D383-E385 PolarHBondContact OD1-N 3.46Å; E385-F387 VanDerWaalsContact C-N 3.28Å; E385-F387 PolarHBondContact O-N 3.24Å; E385-R388 WeakPolarHBondContact O-CB 3.45Å; E385-R388 PolarHBondContact O-N 2.68Å
386	L	94.3	Very high	90.5	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-29.6	175.2	-66.3	179.8	0	0	0	112.7	D383 R388 Y389 I390 F405 D407 A410 L411 E414	D383-L386 HydrophobicContact CB-CB 4.06Å; D383-L386 HydrophobicContact CB-CD1 4.04Å; D383-L386 HydrophobicContact CB-CG 4.2Å; D383-L386 PolarHBondContact OD1-N 2.95Å; D383-L386 WeakPolarHBondContact OD2-CD1 3.25Å; L386-R388 PolarHBondContact O-N 2.87Å; L386-Y389 HydrophobicContact CD2-CD2 4.24Å; L386-Y389 HydrophobicContact CD2-CE2 4.28Å; L386-Y389 PolarHBondContact O-N 2.6Å; L386-I390 PolarHBondContact O-N 2.84Å; L386-F405 HydrophobicContact CD2-CE2 4.07Å; L386-F405 HydrophobicContact CD2-CZ 3.89Å; L386-D407 HydrophobicContact CD2-CB 4.11Å; L386-A410 HydrophobicContact CD1-CB 3.47Å; L386-A410 VanDerWaalsContact CD1-CB 3.47Å; L386-L411 HydrophobicContact CB-CD1 4.37Å; L386-L411 HydrophobicContact CD2-CB 4.37Å; L386-E414 HydrophobicContact CB-CG 4.01Å; L386-E414 HydrophobicContact CD1-CG 4.11Å
387	F	95.5	Very high	90.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-24.7	176.8	-171.6	-99.9	0	0	0	112.9	L325 V327 Y332 D383 G384 E385 Y389 I390 L391 Y418	L325-F387 HydrophobicContact CD1-CE1 3.7Å; L325-F387 HydrophobicContact CD1-CZ 3.64Å; V327-F387 HydrophobicContact CB-CB 4.25Å; V327-F387 HydrophobicContact CB-CD1 4.29Å; V327-F387 HydrophobicContact CB-CG 4.15Å; V327-F387 HydrophobicContact CG1-CB 3.82Å; V327-F387 HydrophobicContact CG1-CD2 4.2Å; V327-F387 HydrophobicContact CG1-CG 3.92Å; V327-F387 HydrophobicContact CG2-CD1 3.73Å; V327-F387 HydrophobicContact CG2-CD2 4.2Å; V327-F387 HydrophobicContact CG2-CE1 3.93Å; V327-F387 HydrophobicContact CG2-CE2 4.38Å; V327-F387 HydrophobicContact CG2-CG 3.86Å; V327-F387 HydrophobicContact CG2-CZ 4.26Å; Y332-F387 AromaticContact CD2-CD1 3.48Å; Y332-F387 HydrophobicContact CD2-CD1 3.48Å; Y332-F387 VanDerWaalsContact CD2-CD1 3.48Å; Y332-F387 HydrophobicContact CD2-CE1 4.02Å; Y332-F387 HydrophobicContact CE2-CB 4.27Å; Y332-F387 AromaticContact CE2-CD1 3.7Å; Y332-F387 HydrophobicContact CE2-CD1 3.7Å; Y332-F387 HydrophobicContact CE2-CG 4.45Å; Y332-F387 HydrophobicContact CG-CD1 4.04Å; Y332-F387 HydrophobicContact CG-CE1 4.26Å; D383-F387 WeakPolarHBondContact O-CB 3.19Å; D383-F387 PolarHBondContact O-N 2.87Å; D383-F387 VanDerWaalsContact O-N 3.11Å; G384-F387 WeakPolarHBondContact O-CB 3.26Å; G384-F387 PolarHBondContact O-N 2.76Å; E385-F387 VanDerWaalsContact C-N 3.28Å; E385-F387 PolarHBondContact O-N 3.24Å; F387-Y389 VanDerWaalsContact C-N 3.29Å; F387-Y389 PolarHBondContact O-N 3.45Å; F387-I390 HydrophobicContact CD2-CB 3.96Å; F387-I390 HydrophobicContact CD2-CG1 4.33Å; F387-I390 HydrophobicContact CD2-CG2 4.09Å; F387-I390 HydrophobicContact CE2-CB 4.25Å; F387-I390 HydrophobicContact CE2-CG2 3.91Å; F387-I390 WeakPolarHBondContact O-CB 3.15Å; F387-I390 PolarHBondContact O-N 2.83Å; F387-L391 HydrophobicContact CD1-CB 4.42Å; F387-L391 HydrophobicContact CE1-CB 4.09Å; F387-L391 HydrophobicContact CE1-CD2 4.41Å; F387-L391 WeakPolarHBondContact O-CB 3.38Å; F387-L391 PolarHBondContact O-N 3.28Å; F387-Y418 HydrophobicContact CD2-CD2 4.19Å; F387-Y418 HydrophobicContact CD2-CE1 4.04Å; F387-Y418 AromaticContact CD2-CE2 3.45Å; F387-Y418 HydrophobicContact CD2-CE2 3.45Å; F387-Y418 VanDerWaalsContact CD2-CE2 3.45Å; F387-Y418 AromaticContact CD2-CZ 3.34Å; F387-Y418 WeakPolarHBondContact CD2-OH 3.14Å; F387-Y418 HydrophobicContact CE2-CD1 4.09Å; F387-Y418 HydrophobicContact CE2-CD2 4.21Å; F387-Y418 AromaticContact CE2-CE1 3.58Å; F387-Y418 HydrophobicContact CE2-CE1 3.58Å; F387-Y418 AromaticContact CE2-CE2 3.76Å; F387-Y418 HydrophobicContact CE2-CE2 3.76Å; F387-Y418 HydrophobicContact CE2-CG 4.39Å; F387-Y418 AromaticContact CE2-CZ 3.41Å; F387-Y418 VanDerWaalsContact CE2-CZ 3.41Å
388	R	94.8	Very high	91.1	Very high	29 Å²	29	40.5 Å²	40.5	11%	0.109	20%	0.203	C	C	.	.	H	α-helix	trans	-54.3	-47	171.2	-175.3	179.1	175.7	-157.1	-13.1	111.6	D75 E99 Y332 E385 L386 I390 L391 E392	D75-R388 IonicContact OD1-NH2 2.73Å; D75-R388 IonicContact OD2-CZ 3.62Å; D75-R388 IonicContact OD2-NE 3.24Å; D75-R388 PolarHBondContact OD2-NE 3.47Å; D75-R388 IonicContact OD2-NH2 2.71Å; D75-R388 PolarHBondContact OD2-NH2 3.1Å; E99-R388 IonicContact OE1-CZ 3.92Å; E99-R388 IonicContact OE1-NH1 3.38Å; E99-R388 PolarHBondContact OE1-NH1 2.83Å; E99-R388 IonicContact OE1-NH2 3.64Å; E99-R388 PolarHBondContact OE1-NH2 2.79Å; E99-R388 IonicContact OE2-NH1 3.13Å; Y332-R388 HydrophobicContact CE1-CB 4.21Å; E385-R388 WeakPolarHBondContact O-CB 3.45Å; E385-R388 PolarHBondContact O-N 2.68Å; L386-R388 PolarHBondContact O-N 2.87Å; R388-I390 VanDerWaalsContact C-N 3.34Å; R388-L391 PolarHBondContact O-N 3.09Å; R388-E392 WeakPolarHBondContact O-CG 3.38Å; R388-E392 PolarHBondContact O-N 2.92Å
389	Y	95.4	Very high	91.4	Very high	43 Å²	43	40.4 Å²	40.4	17%	0.169	20%	0.203	C	C	.	.	H	α-helix	trans	-70.6	-32.3	180	-52.9	-66.7	0	0	0	112.4	L386 F387 Y393 L401 P402 F405 L411	L386-Y389 HydrophobicContact CD2-CD2 4.24Å; L386-Y389 HydrophobicContact CD2-CE2 4.28Å; L386-Y389 PolarHBondContact O-N 2.6Å; F387-Y389 VanDerWaalsContact C-N 3.29Å; F387-Y389 PolarHBondContact O-N 3.45Å; Y389-Y393 WeakPolarHBondContact O-CB 3.29Å; Y389-Y393 PolarHBondContact O-N 3.47Å; Y389-L401 HydrophobicContact CD1-CD2 3.74Å; Y389-L401 HydrophobicContact CD2-CD2 4.45Å; Y389-L401 HydrophobicContact CE1-CD2 4.24Å; Y389-L401 HydrophobicContact CG-CD2 3.87Å; Y389-P402 HydrophobicContact CE1-CG 4.15Å; Y389-F405 AromaticContact CD2-CE2 3.97Å; Y389-F405 HydrophobicContact CD2-CE2 3.97Å; Y389-F405 HydrophobicContact CD2-CZ 4.44Å; Y389-F405 HydrophobicContact CE2-CD2 4.19Å; Y389-F405 AromaticContact CE2-CE2 3.51Å; Y389-F405 HydrophobicContact CE2-CE2 3.51Å; Y389-F405 HydrophobicContact CE2-CZ 4.37Å; Y389-F405 AromaticContact CZ-CE2 3.96Å; Y389-L411 HydrophobicContact CD2-CD1 4.37Å
390	I	96.7	Very high	91.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-52.3	170.6	-59	-57.2	0	0	0	109.5	L386 F387 R388 E392 Y393 M394 L411 E414 A415 Y418 L420 L423	L386-I390 PolarHBondContact O-N 2.84Å; F387-I390 HydrophobicContact CD2-CB 3.96Å; F387-I390 HydrophobicContact CD2-CG1 4.33Å; F387-I390 HydrophobicContact CD2-CG2 4.09Å; F387-I390 HydrophobicContact CE2-CB 4.25Å; F387-I390 HydrophobicContact CE2-CG2 3.91Å; F387-I390 WeakPolarHBondContact O-CB 3.15Å; F387-I390 PolarHBondContact O-N 2.83Å; R388-I390 VanDerWaalsContact C-N 3.34Å; I390-E392 PolarHBondContact O-N 2.74Å; I390-Y393 PolarHBondContact O-N 3.03Å; I390-M394 HydrophobicContact CG2-SD 4.04Å; I390-M394 VanDerWaalsContact O-CG 3.25Å; I390-M394 WeakPolarHBondContact O-CG 3.38Å; I390-M394 PolarHBondContact O-N 2.75Å; I390-L411 HydrophobicContact CD1-CD1 3.75Å; I390-L411 HydrophobicContact CG1-CD1 4.23Å; I390-E414 HydrophobicContact CD1-CB 3.98Å; I390-E414 HydrophobicContact CG1-CB 4.11Å; I390-A415 HydrophobicContact CD1-CB 4.01Å; I390-Y418 HydrophobicContact CG1-CD2 4.14Å; I390-Y418 HydrophobicContact CG1-CE2 4.4Å; I390-Y418 HydrophobicContact CG2-CD2 3.88Å; I390-Y418 HydrophobicContact CG2-CG 4.21Å; I390-L420 HydrophobicContact CG2-CD1 3.56Å; I390-L423 HydrophobicContact CD1-CD2 3.52Å
391	L	96.4	Very high	92.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-178.1	-175	58.4	0	0	0	112.1	Y332 T334 F387 R388 M394 R395	Y332-L391 HydrophobicContact CD1-CD2 3.86Å; Y332-L391 HydrophobicContact CG-CD2 4.07Å; T334-L391 HydrophobicContact CG2-CD1 4.12Å; F387-L391 HydrophobicContact CD1-CB 4.42Å; F387-L391 HydrophobicContact CE1-CB 4.09Å; F387-L391 HydrophobicContact CE1-CD2 4.41Å; F387-L391 WeakPolarHBondContact O-CB 3.38Å; F387-L391 PolarHBondContact O-N 3.28Å; R388-L391 PolarHBondContact O-N 3.09Å; L391-M394 CarbonylContact O-C 3.23Å; L391-M394 WeakPolarHBondContact O-CA 3.33Å; L391-M394 WeakPolarHBondContact O-CB 3.06Å; L391-M394 PolarHBondContact O-N 2.7Å; L391-M394 VanDerWaalsContact O-N 3.1Å; L391-R395 WeakPolarHBondContact O-CG 3.45Å; L391-R395 PolarHBondContact O-N 3.21Å
392	E	94.1	Very high	91.9	Very high	23 Å²	23	29.8 Å²	29.8	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-68.6	-36.4	176.5	-72.4	-43.5	136.5	0	0	113.3	D75 R388 I390 M394 R395 N396	D75-E392 WeakPolarHBondContact CB-OE1 3.5Å; R388-E392 WeakPolarHBondContact O-CG 3.38Å; R388-E392 PolarHBondContact O-N 2.92Å; I390-E392 PolarHBondContact O-N 2.74Å; E392-M394 VanDerWaalsContact C-N 3.29Å; E392-M394 PolarHBondContact O-N 2.88Å; E392-R395 PolarHBondContact O-N 3.01Å; E392-R395 IonicContact OE1-CZ 2.96Å; E392-R395 IonicContact OE1-NH1 2.75Å; E392-R395 PolarHBondContact OE1-NH1 3.41Å; E392-R395 WeakPolarHBondContact OE2-CD 3.15Å; E392-N396 WeakPolarHBondContact O-CB 3.37Å; E392-N396 PolarHBondContact O-N 3.46Å; E392-N396 PolarHBondContact O-ND2 3.24Å; E392-N396 PolarHBondContact OE2-ND2 3.12Å; E392-N396 VanDerWaalsContact OE2-ND2 3.16Å
393	Y	96	Very high	90.8	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-43.2	167.3	171.8	-95.7	0	0	0	110.7	Q342 Y389 I390 R395 N396 S397 C398 L420 Q422 L423 L426	Q342-Y393 VanDerWaalsContact OE1-CE1 3.24Å; Y389-Y393 WeakPolarHBondContact O-CB 3.29Å; Y389-Y393 PolarHBondContact O-N 3.47Å; I390-Y393 PolarHBondContact O-N 3.03Å; Y393-R395 PolarHBondContact O-N 2.98Å; Y393-N396 PolarHBondContact O-N 3.31Å; Y393-S397 WeakPolarHBondContact O-CA 3.07Å; Y393-S397 PolarHBondContact O-N 2.89Å; Y393-C398 WeakPolarHBondContact CA-O 3.34Å; Y393-L420 HydrophobicContact CD1-CD1 4.29Å; Y393-L420 HydrophobicContact CE1-CD2 4.24Å; Y393-Q422 WeakPolarHBondContact OH-CB 3.36Å; Y393-Q422 PolarHBondContact OH-OE1 3.24Å; Y393-L423 HydrophobicContact CD1-CB 3.78Å; Y393-L423 HydrophobicContact CD1-CD1 4.29Å; Y393-L423 HydrophobicContact CD1-CD2 3.75Å; Y393-L423 HydrophobicContact CD1-CG 4.15Å; Y393-L423 HydrophobicContact CD2-CB 4.24Å; Y393-L423 HydrophobicContact CD2-CD1 3.73Å; Y393-L423 HydrophobicContact CD2-CG 4.4Å; Y393-L423 HydrophobicContact CE1-CB 3.7Å; Y393-L423 HydrophobicContact CE1-CD2 4.48Å; Y393-L423 HydrophobicContact CE2-CB 4.18Å; Y393-L423 HydrophobicContact CE2-CD1 4.34Å; Y393-L423 HydrophobicContact CG-CB 4.03Å; Y393-L423 HydrophobicContact CG-CD1 3.68Å; Y393-L423 HydrophobicContact CG-CD2 3.81Å; Y393-L423 HydrophobicContact CG-CG 4.04Å; Y393-L426 HydrophobicContact CD2-CD1 4.37Å; Y393-L426 HydrophobicContact CE2-CD1 3.72Å
394	M	95.5	Very high	89.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-34.3	177.8	-65.3	174.8	64	0	0	111.5	T338 V339 K341 Q342 T346 I390 L391 E392 L420	T338-M394 HydrophobicContact CG2-CB 3.85Å; V339-M394 HydrophobicContact CB-CE 4.1Å; V339-M394 HydrophobicContact CG1-CE 4.3Å; V339-M394 HydrophobicContact CG2-CE 3.82Å; K341-M394 WeakPolarHBondContact CE-O 3.31Å; K341-M394 PolarHBondContact NZ-O 2.79Å; K341-M394 VanDerWaalsContact NZ-O 3.16Å; Q342-M394 HydrophobicContact CG-CB 4.17Å; Q342-M394 HydrophobicContact CG-CE 4Å; Q342-M394 HydrophobicContact CG-CG 3.83Å; Q342-M394 VanDerWaalsContact NE2-CA 3.33Å; Q342-M394 PolarHBondContact NE2-O 3.37Å; T346-M394 HydrophobicContact CG2-CE 4.48Å; I390-M394 HydrophobicContact CG2-SD 4.04Å; I390-M394 VanDerWaalsContact O-CG 3.25Å; I390-M394 WeakPolarHBondContact O-CG 3.38Å; I390-M394 PolarHBondContact O-N 2.75Å; L391-M394 CarbonylContact O-C 3.23Å; L391-M394 WeakPolarHBondContact O-CA 3.33Å; L391-M394 WeakPolarHBondContact O-CB 3.06Å; L391-M394 PolarHBondContact O-N 2.7Å; L391-M394 VanDerWaalsContact O-N 3.1Å; E392-M394 VanDerWaalsContact C-N 3.29Å; E392-M394 PolarHBondContact O-N 2.88Å; M394-L420 HydrophobicContact CG-CD1 4.01Å; M394-L420 HydrophobicContact SD-CD1 4.25Å
395	R	92.8	Very high	89.4	Confident	16 Å²	16	31.2 Å²	31.2	6%	0.06	16%	0.163	C	C	.	.	H	α-helix	trans	-73.4	-48	176.8	-74.7	170.9	172.6	152.5	1.3	112.8	D73 R74 V333 T338 K341 L391 E392 Y393	D73-R395 PolarHBondContact O-NE 3.01Å; D73-R395 IonicContact OD1-CZ 3.21Å; D73-R395 IonicContact OD1-NE 3.62Å; D73-R395 PolarHBondContact OD1-NE 2.71Å; D73-R395 IonicContact OD1-NH2 2.67Å; D73-R395 PolarHBondContact OD1-NH2 3.22Å; R74-R395 VanDerWaalsContact C-NH1 3.33Å; R74-R395 PolarHBondContact O-NH1 2.95Å; R74-R395 PolarHBondContact O-NH2 3.24Å; V333-R395 PolarHBondContact O-NH2 3.01Å; T338-R395 HydrophobicContact CG2-CG 4.05Å; K341-R395 PolarHBondContact NZ-O 2.84Å; L391-R395 WeakPolarHBondContact O-CG 3.45Å; L391-R395 PolarHBondContact O-N 3.21Å; E392-R395 PolarHBondContact O-N 3.01Å; E392-R395 IonicContact OE1-CZ 2.96Å; E392-R395 IonicContact OE1-NH1 2.75Å; E392-R395 PolarHBondContact OE1-NH1 3.41Å; E392-R395 WeakPolarHBondContact OE2-CD 3.15Å; Y393-R395 PolarHBondContact O-N 2.98Å
396	N	88.4	Confident	88.8	Confident	40 Å²	40	34.9 Å²	34.9	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-101.3	-12.9	-166.8	-58.7	-56.6	0	0	0	114.2	R74 E392 Y393 C398	R74-N396 PolarHBondContact NH1-OD1 3.36Å; R74-N396 PolarHBondContact NH2-OD1 3.05Å; E392-N396 WeakPolarHBondContact O-CB 3.37Å; E392-N396 PolarHBondContact O-N 3.46Å; E392-N396 PolarHBondContact O-ND2 3.24Å; E392-N396 PolarHBondContact OE2-ND2 3.12Å; E392-N396 VanDerWaalsContact OE2-ND2 3.16Å; Y393-N396 PolarHBondContact O-N 3.31Å; N396-C398 WeakPolarHBondContact CB-SG 3.45Å; N396-C398 PolarHBondContact O-N 2.89Å; N396-C398 VanDerWaalsContact O-N 3.17Å
397	S	91.1	Very high	88.5	Confident	76 Å²	76	39 Å²	39	53%	0.531	19%	0.194	S	C	.	.	S	Bend	trans	56	22	-169.1	-56.2	0	0	0	0	113.5	Y393	Y393-S397 WeakPolarHBondContact O-CA 3.07Å; Y393-S397 PolarHBondContact O-N 2.89Å
398	C	90.7	Very high	88.3	Confident	39 Å²	39	39.8 Å²	39.8	26%	0.264	20%	0.197	S	C	.	.	S	Bend	trans	-134.1	149	176.5	70.4	0	0	0	0	110.4	Y393 N396	Y393-C398 WeakPolarHBondContact CA-O 3.34Å; N396-C398 WeakPolarHBondContact CB-SG 3.45Å; N396-C398 PolarHBondContact O-N 2.89Å; N396-C398 VanDerWaalsContact O-N 3.17Å
399	L	91.1	Very high	88.1	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.199	22%	0.223	C	C	.	.			trans	-90.8	116.2	175.7	176.6	60.2	0	0	0	108.9	L401 L411 L423 L426 V427 D430	L399-L401 HydrophobicContact CD1-CD1 3.96Å; L399-L401 HydrophobicContact CD1-CD2 3.76Å; L399-L401 HydrophobicContact CD1-CG 3.61Å; L399-L401 HydrophobicContact CD2-CD1 3.96Å; L399-L401 HydrophobicContact CD2-CG 4.37Å; L399-L401 HydrophobicContact CG-CD1 4.07Å; L399-L401 HydrophobicContact CG-CG 3.92Å; L399-L411 HydrophobicContact CD1-CD2 4.45Å; L399-L423 HydrophobicContact CB-CD1 4.33Å; L399-L423 HydrophobicContact CD1-CD1 3.82Å; L399-L423 HydrophobicContact CG-CD1 4.45Å; L399-L426 HydrophobicContact CB-CB 4.26Å; L399-L426 HydrophobicContact CB-CD1 4.4Å; L399-L426 HydrophobicContact CD2-CB 4Å; L399-V427 HydrophobicContact CD1-CG2 4.21Å; L399-V427 HydrophobicContact CD2-CB 4.32Å; L399-V427 HydrophobicContact CD2-CG2 3.71Å; L399-D430 HydrophobicContact CD2-CB 4.16Å
400	V	86.8	Confident	87.8	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.2	23%	0.23	C	C	.	.			trans	-120.8	111	173.3	-173.7	0	0	0	0	108.6	E101 A102 E105	E101-V400 HydrophobicContact CB-CG1 3.65Å; A102-V400 HydrophobicContact CB-CG1 3.9Å; E105-V400 HydrophobicContact CG-CG2 4.14Å
401	L	87.5	Confident	87.7	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.115	23%	0.23	C	C	.	.			trans	-113.7	146.4	179.5	-64.4	175.4	0	0	0	110.5	Y389 L399 F405 Y408 L411	Y389-L401 HydrophobicContact CD1-CD2 3.74Å; Y389-L401 HydrophobicContact CD2-CD2 4.45Å; Y389-L401 HydrophobicContact CE1-CD2 4.24Å; Y389-L401 HydrophobicContact CG-CD2 3.87Å; L399-L401 HydrophobicContact CD1-CD1 3.96Å; L399-L401 HydrophobicContact CD1-CD2 3.76Å; L399-L401 HydrophobicContact CD1-CG 3.61Å; L399-L401 HydrophobicContact CD2-CD1 3.96Å; L399-L401 HydrophobicContact CD2-CG 4.37Å; L399-L401 HydrophobicContact CG-CD1 4.07Å; L399-L401 HydrophobicContact CG-CG 3.92Å; L401-F405 HydrophobicContact CB-CB 4.08Å; L401-F405 HydrophobicContact CB-CG 4.21Å; L401-F405 HydrophobicContact CD1-CD1 3.72Å; L401-F405 HydrophobicContact CD1-CE1 4.06Å; L401-F405 HydrophobicContact CD1-CG 4.24Å; L401-F405 HydrophobicContact CD2-CD1 4.21Å; L401-F405 HydrophobicContact CD2-CD2 4.19Å; L401-F405 HydrophobicContact CD2-CE1 4.23Å; L401-F405 HydrophobicContact CD2-CE2 4.25Å; L401-F405 HydrophobicContact CD2-CG 4.18Å; L401-F405 HydrophobicContact CD2-CZ 4.27Å; L401-F405 HydrophobicContact CG-CD1 4.37Å; L401-F405 HydrophobicContact CG-CG 4.44Å; L401-Y408 HydrophobicContact CD1-CD1 4.27Å; L401-Y408 HydrophobicContact CD1-CE1 3.69Å; L401-L411 HydrophobicContact CD1-CD2 4.23Å; L401-L411 HydrophobicContact CD2-CD2 3.62Å
402	P	78.1	Confident	87.7	Confident	15 Å²	15	47.5 Å²	47.5	10%	0.097	24%	0.239	C	C	.	.			trans	-56.2	146.2	169.1	-21.3	31	0	0	0	110.6	Y389 N404 F405	Y389-P402 HydrophobicContact CE1-CG 4.15Å; P402-N404 PolarHBondContact O-N 3.16Å; P402-F405 WeakPolarHBondContact O-CB 3.42Å; P402-F405 PolarHBondContact O-N 2.8Å
403	K	69.1	Low	87.6	Confident	56 Å²	56	53.5 Å²	53.5	24%	0.243	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.9	-177.9	-66.5	-171.4	175.8	-168.5	0	113.9	E101 I280 S282	E101-K403 WeakPolarHBondContact OE1-CE 3.32Å; E101-K403 IonicContact OE1-NZ 2.97Å; I280-K403 HydrophobicContact CB-CB 4.39Å; I280-K403 HydrophobicContact CB-CD 4.45Å; I280-K403 HydrophobicContact CD1-CB 4.09Å; I280-K403 VanDerWaalsContact CD1-O 3.26Å; I280-K403 WeakPolarHBondContact CD1-O 3.12Å; I280-K403 HydrophobicContact CG2-CB 4.11Å; I280-K403 HydrophobicContact CG2-CD 4.32Å; I280-K403 HydrophobicContact CG2-CG 4.44Å; S282-K403 PolarHBondContact OG-NZ 3.5Å; S282-K403 VanDerWaalsContact OG-NZ 3.11Å
404	N	69.8	Low	87.6	Confident	88 Å²	88	53.9 Å²	53.9	47%	0.471	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	21.3	-179.9	63.3	-41.2	0	0	0	113.1	N98 P402 R406	N98-N404 PolarHBondContact ND2-OD1 2.95Å; P402-N404 PolarHBondContact O-N 3.16Å; N404-R406 WeakPolarHBondContact O-CG 2.79Å; N404-R406 PolarHBondContact O-N 3.34Å
405	F	80.8	Confident	87.7	Confident	15 Å²	15	53.8 Å²	53.8	7%	0.066	27%	0.267	C	S	.	.			trans	-61	135.1	176.7	-169.3	-102.1	0	0	0	110.8	L386 Y389 L401 P402 D407 Y408 L411	L386-F405 HydrophobicContact CD2-CE2 4.07Å; L386-F405 HydrophobicContact CD2-CZ 3.89Å; Y389-F405 AromaticContact CD2-CE2 3.97Å; Y389-F405 HydrophobicContact CD2-CE2 3.97Å; Y389-F405 HydrophobicContact CD2-CZ 4.44Å; Y389-F405 HydrophobicContact CE2-CD2 4.19Å; Y389-F405 AromaticContact CE2-CE2 3.51Å; Y389-F405 HydrophobicContact CE2-CE2 3.51Å; Y389-F405 HydrophobicContact CE2-CZ 4.37Å; Y389-F405 AromaticContact CZ-CE2 3.96Å; L401-F405 HydrophobicContact CB-CB 4.08Å; L401-F405 HydrophobicContact CB-CG 4.21Å; L401-F405 HydrophobicContact CD1-CD1 3.72Å; L401-F405 HydrophobicContact CD1-CE1 4.06Å; L401-F405 HydrophobicContact CD1-CG 4.24Å; L401-F405 HydrophobicContact CD2-CD1 4.21Å; L401-F405 HydrophobicContact CD2-CD2 4.19Å; L401-F405 HydrophobicContact CD2-CE1 4.23Å; L401-F405 HydrophobicContact CD2-CE2 4.25Å; L401-F405 HydrophobicContact CD2-CG 4.18Å; L401-F405 HydrophobicContact CD2-CZ 4.27Å; L401-F405 HydrophobicContact CG-CD1 4.37Å; L401-F405 HydrophobicContact CG-CG 4.44Å; P402-F405 WeakPolarHBondContact O-CB 3.42Å; P402-F405 PolarHBondContact O-N 2.8Å; F405-D407 VanDerWaalsContact CE1-C 3.47Å; F405-D407 HydrophobicContact CE1-CB 4.43Å; F405-D407 HydrophobicContact CE2-CB 4.45Å; F405-D407 HydrophobicContact CZ-CB 3.98Å; F405-Y408 HydrophobicContact CD1-CD1 4.03Å; F405-Y408 HydrophobicContact CD1-CD2 4.05Å; F405-Y408 AromaticContact CD1-CE1 3.94Å; F405-Y408 HydrophobicContact CD1-CE1 3.94Å; F405-Y408 AromaticContact CD1-CE2 3.97Å; F405-Y408 HydrophobicContact CD1-CE2 3.97Å; F405-Y408 HydrophobicContact CD1-CG 4.09Å; F405-Y408 AromaticContact CD1-CZ 3.93Å; F405-Y408 HydrophobicContact CE1-CD1 4.22Å; F405-Y408 HydrophobicContact CE1-CG 4.22Å; F405-Y408 WeakPolarHBondContact O-CE2 3.41Å; F405-L411 HydrophobicContact CE1-CB 4.15Å; F405-L411 HydrophobicContact CE1-CD2 3.85Å; F405-L411 HydrophobicContact CZ-CB 3.91Å; F405-L411 HydrophobicContact CZ-CD2 3.73Å; F405-L411 HydrophobicContact CZ-CG 4.4Å
406	R	80.8	Confident	87.8	Confident	182 Å²	182	58 Å²	58	69%	0.687	29%	0.288	S	S	*	.			trans	-122.2	-23	-175.7	-64	-176.5	-178.4	-177.8	1.1	113.4	N404 Y408	N404-R406 WeakPolarHBondContact O-CG 2.79Å; N404-R406 PolarHBondContact O-N 3.34Å; R406-Y408 PolarHBondContact O-N 3.45Å
407	D	87.4	Confident	88.2	Confident	95 Å²	95	59.6 Å²	59.6	51%	0.508	29%	0.293	S	S	.	.			trans	-89.9	36.5	-167.6	-59.7	-52.2	0	0	0	113.3	L386 F405 K409 A410 L411	L386-D407 HydrophobicContact CD2-CB 4.11Å; F405-D407 VanDerWaalsContact CE1-C 3.47Å; F405-D407 HydrophobicContact CE1-CB 4.43Å; F405-D407 HydrophobicContact CE2-CB 4.45Å; F405-D407 HydrophobicContact CZ-CB 3.98Å; D407-K409 VanDerWaalsContact C-N 3.32Å; D407-K409 PolarHBondContact O-N 2.78Å; D407-A410 HydrophobicContact CB-CB 4.27Å; D407-A410 PolarHBondContact O-N 2.81Å; D407-L411 PolarHBondContact O-N 3.12Å
408	Y	90.2	Very high	88.4	Confident	15 Å²	15	56 Å²	56	6%	0.059	27%	0.268	C	S	.	.	H	α-helix	trans	-50.7	-48.3	-178.6	-72.8	-80.5	0	0	0	113.1	L401 F405 R406 A410 L411 K412 V427 D430 E431 N434	L401-Y408 HydrophobicContact CD1-CD1 4.27Å; L401-Y408 HydrophobicContact CD1-CE1 3.69Å; F405-Y408 HydrophobicContact CD1-CD1 4.03Å; F405-Y408 HydrophobicContact CD1-CD2 4.05Å; F405-Y408 AromaticContact CD1-CE1 3.94Å; F405-Y408 HydrophobicContact CD1-CE1 3.94Å; F405-Y408 AromaticContact CD1-CE2 3.97Å; F405-Y408 HydrophobicContact CD1-CE2 3.97Å; F405-Y408 HydrophobicContact CD1-CG 4.09Å; F405-Y408 AromaticContact CD1-CZ 3.93Å; F405-Y408 HydrophobicContact CE1-CD1 4.22Å; F405-Y408 HydrophobicContact CE1-CG 4.22Å; F405-Y408 WeakPolarHBondContact O-CE2 3.41Å; R406-Y408 PolarHBondContact O-N 3.45Å; Y408-A410 VanDerWaalsContact C-N 3.32Å; Y408-A410 PolarHBondContact O-N 2.61Å; Y408-L411 PolarHBondContact O-N 3.01Å; Y408-K412 VanDerWaalsContact O-CB 3.32Å; Y408-K412 WeakPolarHBondContact O-CB 3.31Å; Y408-K412 PolarHBondContact O-N 2.67Å; Y408-V427 HydrophobicContact CD1-CG1 4.12Å; Y408-V427 WeakPolarHBondContact O-CG1 3.28Å; Y408-D430 HydrophobicContact CE1-CB 4.1Å; Y408-D430 WeakPolarHBondContact CE1-OD2 3.4Å; Y408-D430 PolarHBondContact OH-OD2 2.64Å; Y408-E431 HydrophobicContact CD1-CB 3.58Å; Y408-E431 HydrophobicContact CD1-CG 4.25Å; Y408-E431 HydrophobicContact CD2-CB 4.38Å; Y408-E431 HydrophobicContact CD2-CG 4.2Å; Y408-E431 HydrophobicContact CE1-CB 4.23Å; Y408-E431 HydrophobicContact CG-CB 3.66Å; Y408-E431 HydrophobicContact CG-CG 3.79Å; Y408-N434 HydrophobicContact CE2-CB 4.42Å; Y408-N434 PolarHBondContact OH-ND2 2.87Å
409	K	90.7	Very high	88.6	Confident	150 Å²	150	59.2 Å²	59.2	65%	0.652	28%	0.278	S	S	*	.	H	α-helix	trans	-63.5	-38.2	179.4	-66.4	179.8	-178.1	173.3	0	112.5	D407 K413	D407-K409 VanDerWaalsContact C-N 3.32Å; D407-K409 PolarHBondContact O-N 2.78Å; K409-K413 WeakPolarHBondContact O-CG 3.39Å; K409-K413 PolarHBondContact O-N 2.78Å
410	A	90.2	Very high	88.9	Confident	37 Å²	37	57.7 Å²	57.7	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-71.5	-45.2	178.4	0	0	0	0	0	110.3	L386 D407 Y408 K412 K413 E414	L386-A410 HydrophobicContact CD1-CB 3.47Å; L386-A410 VanDerWaalsContact CD1-CB 3.47Å; D407-A410 HydrophobicContact CB-CB 4.27Å; D407-A410 PolarHBondContact O-N 2.81Å; Y408-A410 VanDerWaalsContact C-N 3.32Å; Y408-A410 PolarHBondContact O-N 2.61Å; A410-K412 VanDerWaalsContact C-N 3.32Å; A410-K412 PolarHBondContact O-N 2.85Å; A410-K413 WeakPolarHBondContact O-CB 3.35Å; A410-K413 PolarHBondContact O-N 3.48Å; A410-K413 VanDerWaalsContact O-N 3.09Å; A410-E414 PolarHBondContact O-N 2.95Å
411	L	94.2	Very high	89.2	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-39.3	176.5	-178.2	60.6	0	0	0	112.4	L386 Y389 I390 L399 L401 F405 D407 Y408 K413 E414 A415 V427	L386-L411 HydrophobicContact CB-CD1 4.37Å; L386-L411 HydrophobicContact CD2-CB 4.37Å; Y389-L411 HydrophobicContact CD2-CD1 4.37Å; I390-L411 HydrophobicContact CD1-CD1 3.75Å; I390-L411 HydrophobicContact CG1-CD1 4.23Å; L399-L411 HydrophobicContact CD1-CD2 4.45Å; L401-L411 HydrophobicContact CD1-CD2 4.23Å; L401-L411 HydrophobicContact CD2-CD2 3.62Å; F405-L411 HydrophobicContact CE1-CB 4.15Å; F405-L411 HydrophobicContact CE1-CD2 3.85Å; F405-L411 HydrophobicContact CZ-CB 3.91Å; F405-L411 HydrophobicContact CZ-CD2 3.73Å; F405-L411 HydrophobicContact CZ-CG 4.4Å; D407-L411 PolarHBondContact O-N 3.12Å; Y408-L411 PolarHBondContact O-N 3.01Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 3.34Å; L411-E414 WeakPolarHBondContact O-CB 3.45Å; L411-E414 PolarHBondContact O-N 3.09Å; L411-A415 PolarHBondContact O-N 3.11Å; L411-V427 HydrophobicContact CB-CG1 4.33Å; L411-V427 HydrophobicContact CD2-CG1 4.31Å; L411-V427 HydrophobicContact CD2-CG2 3.77Å; L411-V427 HydrophobicContact CG-CG1 4.35Å; L411-V427 HydrophobicContact CG-CG2 3.95Å
412	K	95.7	Very high	89.5	Confident	48 Å²	48	68.8 Å²	68.8	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-41.1	174.4	-172.5	179	-177.8	-178.2	0	111.7	Y408 A410 A415 M416 A424 V427 Q428	Y408-K412 VanDerWaalsContact O-CB 3.32Å; Y408-K412 WeakPolarHBondContact O-CB 3.31Å; Y408-K412 PolarHBondContact O-N 2.67Å; A410-K412 VanDerWaalsContact C-N 3.32Å; A410-K412 PolarHBondContact O-N 2.85Å; K412-A415 PolarHBondContact O-N 3.26Å; K412-M416 HydrophobicContact CD-CE 4.44Å; K412-M416 HydrophobicContact CG-CE 4.24Å; K412-M416 WeakPolarHBondContact O-CG 3.33Å; K412-M416 PolarHBondContact O-N 2.79Å; K412-A424 HydrophobicContact CG-CB 4.11Å; K412-V427 HydrophobicContact CB-CG1 3.99Å; K412-Q428 HydrophobicContact CD-CB 4.42Å
413	K	93.7	Very high	90.4	Very high	149 Å²	149	68 Å²	68	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-41.6	174.2	-73.4	174.4	-179.6	-179.2	0	111.5	K409 A410 L411 M416 F417	K409-K413 WeakPolarHBondContact O-CG 3.39Å; K409-K413 PolarHBondContact O-N 2.78Å; A410-K413 WeakPolarHBondContact O-CB 3.35Å; A410-K413 PolarHBondContact O-N 3.48Å; A410-K413 VanDerWaalsContact O-N 3.09Å; L411-K413 VanDerWaalsContact C-N 3.33Å; L411-K413 PolarHBondContact O-N 3.34Å; K413-M416 PolarHBondContact O-N 3.18Å; K413-F417 PolarHBondContact O-N 2.78Å
414	E	96.1	Very high	91.6	Very high	16 Å²	16	65.5 Å²	65.5	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-48.9	172.9	-67.6	-52.3	128.6	0	0	111.4	R382 D383 L386 I390 A410 L411 M416 F417 Y418	R382-E414 IonicContact CZ-OE1 2.9Å; R382-E414 IonicContact CZ-OE2 3.34Å; R382-E414 IonicContact NE-OE1 3.63Å; R382-E414 IonicContact NE-OE2 2.68Å; R382-E414 PolarHBondContact NE-OE2 3.05Å; R382-E414 IonicContact NH1-OE1 3.5Å; R382-E414 IonicContact NH2-OE1 3.65Å; R382-E414 PolarHBondContact NH2-OE1 2.97Å; R382-E414 IonicContact NH2-OE2 3.71Å; R382-E414 PolarHBondContact NH2-OE2 2.92Å; D383-E414 HydrophobicContact CB-CG 4.46Å; L386-E414 HydrophobicContact CB-CG 4.01Å; L386-E414 HydrophobicContact CD1-CG 4.11Å; I390-E414 HydrophobicContact CD1-CB 3.98Å; I390-E414 HydrophobicContact CG1-CB 4.11Å; A410-E414 PolarHBondContact O-N 2.95Å; L411-E414 WeakPolarHBondContact O-CB 3.45Å; L411-E414 PolarHBondContact O-N 3.09Å; E414-M416 VanDerWaalsContact C-N 3.29Å; E414-M416 PolarHBondContact O-N 2.96Å; E414-F417 WeakPolarHBondContact O-CB 3.4Å; E414-F417 PolarHBondContact O-N 3.03Å; E414-Y418 HydrophobicContact CB-CE2 4.47Å; E414-Y418 WeakPolarHBondContact O-CD2 3.46Å; E414-Y418 PolarHBondContact O-N 3.42Å; E414-Y418 WeakPolarHBondContact OE2-CE2 3.24Å
415	A	96.5	Very high	92.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-42	178.4	0	0	0	0	0	112.3	I390 L411 K412 Y418 K419 L420 L423 A424	I390-A415 HydrophobicContact CD1-CB 4.01Å; L411-A415 PolarHBondContact O-N 3.11Å; K412-A415 PolarHBondContact O-N 3.26Å; A415-Y418 PolarHBondContact O-N 3.03Å; A415-K419 PolarHBondContact O-N 3.25Å; A415-L420 PolarHBondContact O-N 3.08Å; A415-L423 HydrophobicContact CB-CB 4.17Å; A415-L423 HydrophobicContact CB-CD2 3.86Å; A415-L423 HydrophobicContact CB-CG 3.8Å; A415-A424 HydrophobicContact CB-CB 3.95Å
416	M	96.1	Very high	93.4	Very high	104 Å²	104	69.2 Å²	69.2	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-37.8	175.1	-72.2	-177.7	174.4	0	0	113.1	K412 K413 E414 K419 A424	K412-M416 HydrophobicContact CD-CE 4.44Å; K412-M416 HydrophobicContact CG-CE 4.24Å; K412-M416 WeakPolarHBondContact O-CG 3.33Å; K412-M416 PolarHBondContact O-N 2.79Å; K413-M416 PolarHBondContact O-N 3.18Å; E414-M416 VanDerWaalsContact C-N 3.29Å; E414-M416 PolarHBondContact O-N 2.96Å; M416-K419 PolarHBondContact O-N 2.97Å; M416-A424 HydrophobicContact CE-CB 4.31Å; M416-A424 HydrophobicContact CG-CB 4Å
417	F	94.9	Very high	94	Very high	73 Å²	73	60.5 Å²	60.5	32%	0.32	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-48.2	175.8	173.8	-92.6	0	0	0	111	F379 R382 K413 E414 K419	F379-F417 HydrophobicContact CD1-CE1 4.06Å; F379-F417 HydrophobicContact CD1-CZ 4.32Å; F379-F417 HydrophobicContact CE1-CE1 4.31Å; R382-F417 HydrophobicContact CG-CD1 4.48Å; R382-F417 HydrophobicContact CG-CE1 3.98Å; R382-F417 HydrophobicContact CG-CZ 4.19Å; R382-F417 VanDerWaalsContact CZ-CG 3.45Å; K413-F417 PolarHBondContact O-N 2.78Å; E414-F417 WeakPolarHBondContact O-CB 3.4Å; E414-F417 PolarHBondContact O-N 3.03Å; F417-K419 PolarHBondContact O-N 3.38Å; F417-K419 VanDerWaalsContact O-N 3.14Å
418	Y	95.6	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	10.6	177.5	-62.9	-71.7	0	0	0	113.9	V327 T346 L349 F350 F379 F387 I390 E414 A415 L420	V327-Y418 WeakPolarHBondContact CG1-OH 3.09Å; T346-Y418 WeakPolarHBondContact CG2-O 3.17Å; T346-Y418 PolarHBondContact OG1-O 3.43Å; L349-Y418 HydrophobicContact CD2-CD1 4.35Å; F350-Y418 HydrophobicContact CE2-CD1 4.04Å; F350-Y418 HydrophobicContact CZ-CD1 4.19Å; F350-Y418 HydrophobicContact CZ-CE1 4.49Å; F379-Y418 HydrophobicContact CD1-CE1 4.26Å; F379-Y418 HydrophobicContact CE1-CE1 4.2Å; F387-Y418 HydrophobicContact CD2-CD2 4.19Å; F387-Y418 HydrophobicContact CD2-CE1 4.04Å; F387-Y418 AromaticContact CD2-CE2 3.45Å; F387-Y418 HydrophobicContact CD2-CE2 3.45Å; F387-Y418 VanDerWaalsContact CD2-CE2 3.45Å; F387-Y418 AromaticContact CD2-CZ 3.34Å; F387-Y418 WeakPolarHBondContact CD2-OH 3.14Å; F387-Y418 HydrophobicContact CE2-CD1 4.09Å; F387-Y418 HydrophobicContact CE2-CD2 4.21Å; F387-Y418 AromaticContact CE2-CE1 3.58Å; F387-Y418 HydrophobicContact CE2-CE1 3.58Å; F387-Y418 AromaticContact CE2-CE2 3.76Å; F387-Y418 HydrophobicContact CE2-CE2 3.76Å; F387-Y418 HydrophobicContact CE2-CG 4.39Å; F387-Y418 AromaticContact CE2-CZ 3.41Å; F387-Y418 VanDerWaalsContact CE2-CZ 3.41Å; I390-Y418 HydrophobicContact CG1-CD2 4.14Å; I390-Y418 HydrophobicContact CG1-CE2 4.4Å; I390-Y418 HydrophobicContact CG2-CD2 3.88Å; I390-Y418 HydrophobicContact CG2-CG 4.21Å; E414-Y418 HydrophobicContact CB-CE2 4.47Å; E414-Y418 WeakPolarHBondContact O-CD2 3.46Å; E414-Y418 PolarHBondContact O-N 3.42Å; E414-Y418 WeakPolarHBondContact OE2-CE2 3.24Å; A415-Y418 PolarHBondContact O-N 3.03Å; Y418-L420 PolarHBondContact O-N 2.87Å
419	K	96	Very high	94	Very high	107 Å²	107	63 Å²	63	47%	0.465	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	21.9	178.7	-51.3	-59.2	-179.5	-174.7	0	114.8	D345 L349 A415 M416 F417 K421	D345-K419 HydrophobicContact CB-CB 3.94Å; D345-K419 HydrophobicContact CB-CG 4.37Å; L349-K419 HydrophobicContact CD2-CG 4.44Å; A415-K419 PolarHBondContact O-N 3.25Å; M416-K419 PolarHBondContact O-N 2.97Å; F417-K419 PolarHBondContact O-N 3.38Å; F417-K419 VanDerWaalsContact O-N 3.14Å; K419-K421 PolarHBondContact O-N 3.22Å
420	L	96.2	Very high	93.6	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	28%	0.279	C	S	.	.			trans	-89.6	76.3	178.2	-60.5	168.9	0	0	0	110.6	Q342 T346 I390 Y393 M394 A415 Y418 Q422 L423 A424	Q342-L420 HydrophobicContact CB-CD2 3.66Å; Q342-L420 HydrophobicContact CG-CD2 3.9Å; T346-L420 HydrophobicContact CG2-CD2 4.05Å; I390-L420 HydrophobicContact CG2-CD1 3.56Å; Y393-L420 HydrophobicContact CD1-CD1 4.29Å; Y393-L420 HydrophobicContact CE1-CD2 4.24Å; M394-L420 HydrophobicContact CG-CD1 4.01Å; M394-L420 HydrophobicContact SD-CD1 4.25Å; A415-L420 PolarHBondContact O-N 3.08Å; Y418-L420 PolarHBondContact O-N 2.87Å; L420-Q422 PolarHBondContact O-N 3.41Å; L420-L423 HydrophobicContact CB-CB 3.85Å; L420-L423 HydrophobicContact CB-CD2 4.31Å; L420-L423 HydrophobicContact CD1-CD2 3.92Å; L420-L423 PolarHBondContact O-N 3.13Å; L420-A424 PolarHBondContact O-N 2.99Å
421	K	93.8	Very high	93.3	Very high	144 Å²	144	58.3 Å²	58.3	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-46.2	-177.9	-68.2	177.6	-176.7	164.4	0	112.7	K419 L423 A424 D425	K419-K421 PolarHBondContact O-N 3.22Å; K421-L423 VanDerWaalsContact C-N 3.29Å; K421-L423 PolarHBondContact O-N 2.97Å; K421-A424 WeakPolarHBondContact O-CB 3.31Å; K421-A424 PolarHBondContact O-N 2.58Å; K421-D425 PolarHBondContact O-N 3.13Å
422	Q	94.8	Very high	92.5	Very high	144 Å²	144	61.2 Å²	61.2	67%	0.673	29%	0.287	S	S	*	.	H	α-helix	trans	-58.7	-41.6	178.6	-69.3	179.8	1.9	0	0	111.8	Y393 L420 D425 L426	Y393-Q422 WeakPolarHBondContact OH-CB 3.36Å; Y393-Q422 PolarHBondContact OH-OE1 3.24Å; L420-Q422 PolarHBondContact O-N 3.41Å; Q422-D425 PolarHBondContact O-N 2.87Å; Q422-L426 WeakPolarHBondContact O-CG 3.4Å; Q422-L426 PolarHBondContact O-N 2.81Å
423	L	95.7	Very high	91.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-44.5	173.4	176.5	57.4	0	0	0	111.8	I390 Y393 L399 A415 L420 K421 D425 L426 V427	I390-L423 HydrophobicContact CD1-CD2 3.52Å; Y393-L423 HydrophobicContact CD1-CB 3.78Å; Y393-L423 HydrophobicContact CD1-CD1 4.29Å; Y393-L423 HydrophobicContact CD1-CD2 3.75Å; Y393-L423 HydrophobicContact CD1-CG 4.15Å; Y393-L423 HydrophobicContact CD2-CB 4.24Å; Y393-L423 HydrophobicContact CD2-CD1 3.73Å; Y393-L423 HydrophobicContact CD2-CG 4.4Å; Y393-L423 HydrophobicContact CE1-CB 3.7Å; Y393-L423 HydrophobicContact CE1-CD2 4.48Å; Y393-L423 HydrophobicContact CE2-CB 4.18Å; Y393-L423 HydrophobicContact CE2-CD1 4.34Å; Y393-L423 HydrophobicContact CG-CB 4.03Å; Y393-L423 HydrophobicContact CG-CD1 3.68Å; Y393-L423 HydrophobicContact CG-CD2 3.81Å; Y393-L423 HydrophobicContact CG-CG 4.04Å; L399-L423 HydrophobicContact CB-CD1 4.33Å; L399-L423 HydrophobicContact CD1-CD1 3.82Å; L399-L423 HydrophobicContact CG-CD1 4.45Å; A415-L423 HydrophobicContact CB-CB 4.17Å; A415-L423 HydrophobicContact CB-CD2 3.86Å; A415-L423 HydrophobicContact CB-CG 3.8Å; L420-L423 HydrophobicContact CB-CB 3.85Å; L420-L423 HydrophobicContact CB-CD2 4.31Å; L420-L423 HydrophobicContact CD1-CD2 3.92Å; L420-L423 PolarHBondContact O-N 3.13Å; K421-L423 VanDerWaalsContact C-N 3.29Å; K421-L423 PolarHBondContact O-N 2.97Å; L423-D425 PolarHBondContact O-N 3.14Å; L423-L426 PolarHBondContact O-N 2.89Å; L423-L426 VanDerWaalsContact O-N 3.16Å; L423-V427 HydrophobicContact CD1-CG2 3.85Å; L423-V427 HydrophobicContact CG-CG2 4.23Å; L423-V427 VanDerWaalsContact O-CG2 3.26Å; L423-V427 WeakPolarHBondContact O-CG2 3.5Å; L423-V427 PolarHBondContact O-N 3.23Å
424	A	95.2	Very high	89.9	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-35.6	178.1	0	0	0	0	0	112.3	K412 A415 M416 L420 K421 Q428	K412-A424 HydrophobicContact CG-CB 4.11Å; A415-A424 HydrophobicContact CB-CB 3.95Å; M416-A424 HydrophobicContact CE-CB 4.31Å; M416-A424 HydrophobicContact CG-CB 4Å; L420-A424 PolarHBondContact O-N 2.99Å; K421-A424 WeakPolarHBondContact O-CB 3.31Å; K421-A424 PolarHBondContact O-N 2.58Å; A424-Q428 WeakPolarHBondContact O-CB 3.46Å; A424-Q428 PolarHBondContact O-N 3.28Å
425	D	94.9	Very high	87.6	Confident	106 Å²	106	64 Å²	64	57%	0.567	30%	0.297	S	S	*	.	H	α-helix	trans	-71.9	-40.9	174.9	-63	-28	0	0	0	111.7	K421 Q422 L423 Q428 H429	K421-D425 PolarHBondContact O-N 3.13Å; Q422-D425 PolarHBondContact O-N 2.87Å; L423-D425 PolarHBondContact O-N 3.14Å; D425-Q428 WeakPolarHBondContact O-CB 3.3Å; D425-Q428 PolarHBondContact O-N 2.9Å; D425-H429 WeakPolarHBondContact O-CB 3.28Å; D425-H429 PolarHBondContact O-N 2.77Å
426	L	94	Very high	85.1	Confident	75 Å²	75	71.7 Å²	71.7	39%	0.393	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-42.4	173.5	-73.4	171	0	0	0	112.1	Y393 L399 Q422 L423 Q428 H429 D430	Y393-L426 HydrophobicContact CD2-CD1 4.37Å; Y393-L426 HydrophobicContact CE2-CD1 3.72Å; L399-L426 HydrophobicContact CB-CB 4.26Å; L399-L426 HydrophobicContact CB-CD1 4.4Å; L399-L426 HydrophobicContact CD2-CB 4Å; Q422-L426 WeakPolarHBondContact O-CG 3.4Å; Q422-L426 PolarHBondContact O-N 2.81Å; L423-L426 PolarHBondContact O-N 2.89Å; L423-L426 VanDerWaalsContact O-N 3.16Å; L426-Q428 VanDerWaalsContact C-N 3.34Å; L426-H429 PolarHBondContact O-N 3.34Å; L426-D430 WeakPolarHBondContact O-CB 3.43Å; L426-D430 PolarHBondContact O-N 3.24Å
427	V	91.9	Very high	82.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-41.2	176.6	173.7	0	0	0	0	110.3	L399 Y408 L411 K412 L423 H429 D430 E431	L399-V427 HydrophobicContact CD1-CG2 4.21Å; L399-V427 HydrophobicContact CD2-CB 4.32Å; L399-V427 HydrophobicContact CD2-CG2 3.71Å; Y408-V427 HydrophobicContact CD1-CG1 4.12Å; Y408-V427 WeakPolarHBondContact O-CG1 3.28Å; L411-V427 HydrophobicContact CB-CG1 4.33Å; L411-V427 HydrophobicContact CD2-CG1 4.31Å; L411-V427 HydrophobicContact CD2-CG2 3.77Å; L411-V427 HydrophobicContact CG-CG1 4.35Å; L411-V427 HydrophobicContact CG-CG2 3.95Å; K412-V427 HydrophobicContact CB-CG1 3.99Å; L423-V427 HydrophobicContact CD1-CG2 3.85Å; L423-V427 HydrophobicContact CG-CG2 4.23Å; L423-V427 VanDerWaalsContact O-CG2 3.26Å; L423-V427 WeakPolarHBondContact O-CG2 3.5Å; L423-V427 PolarHBondContact O-N 3.23Å; V427-H429 VanDerWaalsContact C-N 3.34Å; V427-D430 PolarHBondContact O-N 2.74Å; V427-E431 VanDerWaalsContact O-CB 3.26Å; V427-E431 WeakPolarHBondContact O-CB 3.49Å; V427-E431 PolarHBondContact O-N 2.67Å
428	Q	90.4	Very high	80	Confident	53 Å²	53	69.5 Å²	69.5	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-43.1	173.8	179.7	65.6	37.6	0	0	111.3	K412 A424 D425 L426 E431 E432	K412-Q428 HydrophobicContact CD-CB 4.42Å; A424-Q428 WeakPolarHBondContact O-CB 3.46Å; A424-Q428 PolarHBondContact O-N 3.28Å; D425-Q428 WeakPolarHBondContact O-CB 3.3Å; D425-Q428 PolarHBondContact O-N 2.9Å; L426-Q428 VanDerWaalsContact C-N 3.34Å; Q428-E431 PolarHBondContact O-N 3.19Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.38Å; Q428-E432 PolarHBondContact NE2-OE1 3.31Å; Q428-E432 WeakPolarHBondContact O-CB 3.12Å; Q428-E432 VanDerWaalsContact O-CG 3.31Å; Q428-E432 WeakPolarHBondContact O-CG 3.34Å; Q428-E432 PolarHBondContact O-N 3.27Å
429	H	87.1	Confident	76.9	Confident	109 Å²	109	71 Å²	71	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-68.2	-40.3	179.7	-171.7	71.5	0	0	0	112.2	D425 L426 V427 E432 K433	D425-H429 WeakPolarHBondContact O-CB 3.28Å; D425-H429 PolarHBondContact O-N 2.77Å; L426-H429 PolarHBondContact O-N 3.34Å; V427-H429 VanDerWaalsContact C-N 3.34Å; H429-E432 CarbonylContact O-C 3.54Å; H429-E432 PolarHBondContact O-N 3.4Å; H429-K433 WeakPolarHBondContact O-CB 3.46Å; H429-K433 PolarHBondContact O-N 3Å
430	D	83	Confident	74.3	Confident	48 Å²	48	69.2 Å²	69.2	26%	0.257	32%	0.322	S	S	.	.	H	α-helix	trans	-69.1	-40.1	175.4	-163.6	78.5	0	0	0	111.3	L399 Y408 L426 V427 E432 K433 N434	L399-D430 HydrophobicContact CD2-CB 4.16Å; Y408-D430 HydrophobicContact CE1-CB 4.1Å; Y408-D430 WeakPolarHBondContact CE1-OD2 3.4Å; Y408-D430 PolarHBondContact OH-OD2 2.64Å; L426-D430 WeakPolarHBondContact O-CB 3.43Å; L426-D430 PolarHBondContact O-N 3.24Å; V427-D430 PolarHBondContact O-N 2.74Å; D430-E432 VanDerWaalsContact C-N 3.29Å; D430-E432 PolarHBondContact O-N 2.96Å; D430-K433 PolarHBondContact O-N 3.27Å; D430-N434 VanDerWaalsContact O-CB 3.3Å; D430-N434 WeakPolarHBondContact O-CB 3.34Å; D430-N434 PolarHBondContact O-N 3.4Å
431	E	84.5	Confident	71.3	Confident	41 Å²	41	71.6 Å²	71.6	19%	0.192	34%	0.335	C	S	.	.	H	α-helix	trans	-54.5	-50.4	169.3	-173.5	177.8	-163.9	0	0	108.9	Y408 V427 Q428 K433 N434 W435	Y408-E431 HydrophobicContact CD1-CB 3.58Å; Y408-E431 HydrophobicContact CD1-CG 4.25Å; Y408-E431 HydrophobicContact CD2-CB 4.38Å; Y408-E431 HydrophobicContact CD2-CG 4.2Å; Y408-E431 HydrophobicContact CE1-CB 4.23Å; Y408-E431 HydrophobicContact CG-CB 3.66Å; Y408-E431 HydrophobicContact CG-CG 3.79Å; V427-E431 VanDerWaalsContact O-CB 3.26Å; V427-E431 WeakPolarHBondContact O-CB 3.49Å; V427-E431 PolarHBondContact O-N 2.67Å; Q428-E431 PolarHBondContact O-N 3.19Å; E431-K433 PolarHBondContact O-N 2.94Å; E431-N434 PolarHBondContact O-N 2.83Å; E431-W435 WeakPolarHBondContact O-CA 3.45Å; E431-W435 WeakPolarHBondContact O-CB 3.39Å; E431-W435 PolarHBondContact O-N 3.19Å
432	E	76.2	Confident	68.5	Low	61 Å²	61	70.2 Å²	70.2	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-34.4	179.4	-78.8	173.3	-158	0	0	113.5	Q428 H429 D430 R436	Q428-E432 WeakPolarHBondContact CG-OE1 3.38Å; Q428-E432 PolarHBondContact NE2-OE1 3.31Å; Q428-E432 WeakPolarHBondContact O-CB 3.12Å; Q428-E432 VanDerWaalsContact O-CG 3.31Å; Q428-E432 WeakPolarHBondContact O-CG 3.34Å; Q428-E432 PolarHBondContact O-N 3.27Å; H429-E432 CarbonylContact O-C 3.54Å; H429-E432 PolarHBondContact O-N 3.4Å; D430-E432 VanDerWaalsContact C-N 3.29Å; D430-E432 PolarHBondContact O-N 2.96Å; E432-R436 WeakPolarHBondContact O-CB 3.32Å; E432-R436 WeakPolarHBondContact O-CG 3.42Å; E432-R436 PolarHBondContact O-N 2.84Å
433	K	71.3	Confident	65.4	Low	108 Å²	108	67 Å²	67	47%	0.47	33%	0.327	S	S	.	.	H	α-helix	trans	-70.2	-42.9	176.3	-176.6	-176.5	175.7	-173.3	0	110.4	H429 D430 E431 R436 S437	H429-K433 WeakPolarHBondContact O-CB 3.46Å; H429-K433 PolarHBondContact O-N 3Å; D430-K433 PolarHBondContact O-N 3.27Å; E431-K433 PolarHBondContact O-N 2.94Å; K433-R436 PolarHBondContact O-N 2.93Å; K433-S437 WeakPolarHBondContact O-CB 3.29Å; K433-S437 PolarHBondContact O-N 3.44Å; K433-S437 PolarHBondContact O-OG 3.11Å
434	N	64.2	Low	62.3	Low	33 Å²	33	71.1 Å²	71.1	18%	0.176	36%	0.355	C	S	.	.	H	α-helix	trans	-70	-43.1	176.5	-162.6	6.3	0	0	0	110.5	Y408 D430 E431 S437 L438	Y408-N434 HydrophobicContact CE2-CB 4.42Å; Y408-N434 PolarHBondContact OH-ND2 2.87Å; D430-N434 VanDerWaalsContact O-CB 3.3Å; D430-N434 WeakPolarHBondContact O-CB 3.34Å; D430-N434 PolarHBondContact O-N 3.4Å; E431-N434 PolarHBondContact O-N 2.83Å; N434-S437 CarbonylContact O-C 3.6Å; N434-S437 WeakPolarHBondContact O-CA 3.17Å; N434-S437 WeakPolarHBondContact O-CB 3.36Å; N434-S437 PolarHBondContact O-N 3.21Å; N434-S437 VanDerWaalsContact O-N 3.09Å; N434-L438 WeakPolarHBondContact O-CB 3.31Å; N434-L438 VanDerWaalsContact O-CG 3.26Å; N434-L438 WeakPolarHBondContact O-CG 3.46Å; N434-L438 PolarHBondContact O-N 2.82Å
435	W	48.1	Very low	59.4	Low	130 Å²	130	77.4 Å²	77.4	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-54.6	-52.1	169	138.1	-101.2	0	0	0	110.4	E431 S437 L438 N439	E431-W435 WeakPolarHBondContact O-CA 3.45Å; E431-W435 WeakPolarHBondContact O-CB 3.39Å; E431-W435 PolarHBondContact O-N 3.19Å; W435-S437 PolarHBondContact O-N 3.22Å; W435-L438 CarbonylContact O-C 3.52Å; W435-L438 VanDerWaalsContact O-C 3.23Å; W435-L438 VanDerWaalsContact O-CA 3.29Å; W435-L438 WeakPolarHBondContact O-CA 3.24Å; W435-L438 WeakPolarHBondContact O-CB 3.18Å; W435-L438 PolarHBondContact O-N 2.91Å; W435-N439 HydrophobicContact CD2-CB 3.89Å; W435-N439 HydrophobicContact CE3-CB 3.8Å; W435-N439 HydrophobicContact CH2-CB 4.1Å; W435-N439 WeakPolarHBondContact CH2-ND2 3.09Å; W435-N439 WeakPolarHBondContact CH2-OD1 3.5Å; W435-N439 HydrophobicContact CZ2-CB 4.14Å; W435-N439 WeakPolarHBondContact CZ2-ND2 3.35Å; W435-N439 HydrophobicContact CZ3-CB 3.91Å; W435-N439 WeakPolarHBondContact CZ3-OD1 3.41Å; W435-N439 WeakPolarHBondContact O-CA 3.43Å; W435-N439 WeakPolarHBondContact O-CB 3.17Å; W435-N439 PolarHBondContact O-N 2.92Å
436	R	43.9	Very low	56.3	Low	162 Å²	162	80.2 Å²	80.2	61%	0.611	41%	0.406	S	S	*	.	H	α-helix	trans	-61.8	-33.1	177.2	-77.9	170.5	178.7	173.6	4.1	111.7	E432 K433 L438	E432-R436 WeakPolarHBondContact O-CB 3.32Å; E432-R436 WeakPolarHBondContact O-CG 3.42Å; E432-R436 PolarHBondContact O-N 2.84Å; K433-R436 PolarHBondContact O-N 2.93Å; R436-L438 PolarHBondContact O-N 2.85Å
437	S	47.4	Very low	53.4	Low	64 Å²	64	88.1 Å²	88.1	45%	0.448	43%	0.43	S	S	.	.	H	α-helix	trans	-71.7	-18.3	171.9	-52.6	0	0	0	0	113	K433 N434 W435 W440	K433-S437 WeakPolarHBondContact O-CB 3.29Å; K433-S437 PolarHBondContact O-N 3.44Å; K433-S437 PolarHBondContact O-OG 3.11Å; N434-S437 CarbonylContact O-C 3.6Å; N434-S437 WeakPolarHBondContact O-CA 3.17Å; N434-S437 WeakPolarHBondContact O-CB 3.36Å; N434-S437 PolarHBondContact O-N 3.21Å; N434-S437 VanDerWaalsContact O-N 3.09Å; W435-S437 PolarHBondContact O-N 3.22Å; S437-W440 PolarHBondContact O-NE1 2.93Å
438	L	36.3	Very low	50.5	Low	66 Å²	66	94 Å²	94	35%	0.346	46%	0.462	S	S	.	.	H	α-helix	trans	-105.7	-14.8	176.4	-70.6	166.7	0	0	0	113.3	N434 W435 R436 L441 I442	N434-L438 WeakPolarHBondContact O-CB 3.31Å; N434-L438 VanDerWaalsContact O-CG 3.26Å; N434-L438 WeakPolarHBondContact O-CG 3.46Å; N434-L438 PolarHBondContact O-N 2.82Å; W435-L438 CarbonylContact O-C 3.52Å; W435-L438 VanDerWaalsContact O-C 3.23Å; W435-L438 VanDerWaalsContact O-CA 3.29Å; W435-L438 WeakPolarHBondContact O-CA 3.24Å; W435-L438 WeakPolarHBondContact O-CB 3.18Å; W435-L438 PolarHBondContact O-N 2.91Å; R436-L438 PolarHBondContact O-N 2.85Å; L438-L441 WeakPolarHBondContact O-CA 3.39Å; L438-L441 WeakPolarHBondContact O-CB 3.3Å; L438-L441 PolarHBondContact O-N 2.66Å; L438-I442 PolarHBondContact O-N 3.22Å
439	N	30.5	Very low	47.9	Very low	32 Å²	32	95.4 Å²	95.4	17%	0.171	48%	0.478	C	S	.	.	H	α-helix	trans	-81.6	-22.1	-167.8	-162.8	29.5	0	0	0	112	W435 L441	W435-N439 HydrophobicContact CD2-CB 3.89Å; W435-N439 HydrophobicContact CE3-CB 3.8Å; W435-N439 HydrophobicContact CH2-CB 4.1Å; W435-N439 WeakPolarHBondContact CH2-ND2 3.09Å; W435-N439 WeakPolarHBondContact CH2-OD1 3.5Å; W435-N439 HydrophobicContact CZ2-CB 4.14Å; W435-N439 WeakPolarHBondContact CZ2-ND2 3.35Å; W435-N439 HydrophobicContact CZ3-CB 3.91Å; W435-N439 WeakPolarHBondContact CZ3-OD1 3.41Å; W435-N439 WeakPolarHBondContact O-CA 3.43Å; W435-N439 WeakPolarHBondContact O-CB 3.17Å; W435-N439 PolarHBondContact O-N 2.92Å; N439-L441 PolarHBondContact O-N 2.78Å
440	W	40.8	Very low	45.8	Very low	70 Å²	70	98 Å²	98	27%	0.265	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.7	165.8	81.6	-76.4	0	0	0	111.3	S437 R539	S437-W440 PolarHBondContact O-NE1 2.93Å; W440-R539 VanDerWaalsContact CD2-CZ 3.48Å; W440-R539 HydrophobicContact CE3-CB 4.5Å; W440-R539 HydrophobicContact CE3-CG 3.96Å; W440-R539 HydrophobicContact CH2-CB 3.07Å; W440-R539 HydrophobicContact CH2-CG 3.05Å; W440-R539 HydrophobicContact CZ2-CB 4.13Å; W440-R539 HydrophobicContact CZ2-CG 3.78Å; W440-R539 HydrophobicContact CZ3-CB 3.27Å; W440-R539 VanDerWaalsContact CZ3-CD 3.4Å; W440-R539 HydrophobicContact CZ3-CG 3.09Å; W440-R539 VanDerWaalsContact NE1-NH1 3.11Å
441	L	34	Very low	43.8	Very low	56 Å²	56	103.1 Å²	103.1	29%	0.293	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-20.9	-176.8	-140	151.8	0	0	0	113.7	R239 E278 L438 N439	R239-L441 VanDerWaalsContact CZ-CD1 3.44Å; E278-L441 VanDerWaalsContact OE2-CD1 3.25Å; E278-L441 WeakPolarHBondContact OE2-CD1 3.12Å; L438-L441 WeakPolarHBondContact O-CA 3.39Å; L438-L441 WeakPolarHBondContact O-CB 3.3Å; L438-L441 PolarHBondContact O-N 2.66Å; N439-L441 PolarHBondContact O-N 2.78Å
442	I	34.5	Very low	41.9	Very low	115 Å²	115	107.4 Å²	107.4	59%	0.59	54%	0.539	S	S	*	.			trans	-130.5	67.2	179.2	-46.6	176.4	0	0	0	107.1	L438 S444	L438-I442 PolarHBondContact O-N 3.22Å; I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 2.8Å
443	S	30	Very low	40.7	Very low	77 Å²	77	107.5 Å²	107.5	54%	0.538	54%	0.54	S	S	.	.			trans	-60.1	100.6	161.2	-60.4	0	0	0	0	107.7
444	S	30.7	Very low	39.9	Very low	85 Å²	85	106.6 Å²	106.6	59%	0.594	55%	0.547	S	S	*	.			trans	-53.8	134.5	147.6	-67.7	0	0	0	0	106.2	I442 E446	I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 2.8Å; S444-E446 PolarHBondContact O-N 2.89Å
445	P	34.2	Very low	39.8	Very low	135 Å²	135	109.7 Å²	109.7	88%	0.877	56%	0.561	S	S	*	*	S	Bend	trans	-65	12.3	-176.8	-18	30.2	0	0	0	114.8
446	E	30	Very low	41.4	Very low	165 Å²	165	105.9 Å²	105.9	77%	0.771	55%	0.55	S	S	*	.	S	Bend	trans	-128.5	103.2	-172.4	-65.2	-172.6	171.7	0	0	110	S444	S444-E446 PolarHBondContact O-N 2.89Å
447	R	32.7	Very low	43.7	Very low	241 Å²	241	102.6 Å²	102.6	91%	0.909	54%	0.538	S	S	*	.	S	Bend	trans	105.7	7.9	155.8	-59.5	-172.9	-178.4	-173.1	1.2	121.2
448	D	31.6	Very low	45.8	Very low	123 Å²	123	99.5 Å²	99.5	66%	0.658	52%	0.517	S	S	*	.	S	Bend	trans	-97.2	124.4	150.7	-78	-31.7	0	0	0	108.4	I450	D448-I450 PolarHBondContact O-N 3.35Å
449	S	35.1	Very low	48.6	Very low	83 Å²	83	97.8 Å²	97.8	58%	0.58	51%	0.509	S	S	*	.			trans	-53.3	128.2	-179.1	57	0	0	0	0	109.9	H451	S449-H451 PolarHBondContact O-N 2.89Å
450	I	42.5	Very low	51.6	Low	163 Å²	163	96.2 Å²	96.2	84%	0.836	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	6.9	169	-68.7	166.4	0	0	0	112.6	D448	D448-I450 PolarHBondContact O-N 3.35Å
451	H	41.7	Very low	54.1	Low	155 Å²	155	92.9 Å²	92.9	72%	0.718	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.4	-170.3	-74.8	-57	0	0	0	116.4	S449	S449-H451 PolarHBondContact O-N 2.89Å
452	D	44.7	Very low	56.8	Low	131 Å²	131	90.4 Å²	90.4	70%	0.701	48%	0.475	S	S	*	.	S	Bend	trans	-105.7	-7.6	-173.2	-123.1	10.2	0	0	0	116.4
453	H	51.6	Low	59.1	Low	64 Å²	64	87.9 Å²	87.9	30%	0.296	46%	0.461	S	S	.	.			trans	-94.5	9.9	177.4	-65.5	-39.7	0	0	0	114.3	E455 N456 Y457	H453-E455 PolarHBondContact O-N 3.4Å; H453-N456 PolarHBondContact O-N 2.68Å; H453-Y457 HydrophobicContact CB-CE1 4.47Å; H453-Y457 HydrophobicContact CB-CE2 4.15Å; H453-Y457 WeakPolarHBondContact CB-OH 3.26Å; H453-Y457 WeakPolarHBondContact O-CE2 2.98Å
454	S	54.1	Low	61.6	Low	88 Å²	88	84.2 Å²	84.2	62%	0.615	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.3	-152.5	67.5	0	0	0	0	117.1
455	E	62.3	Low	63.8	Low	99 Å²	99	80.5 Å²	80.5	46%	0.463	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	5.6	178.2	-65.5	-160.1	-176.6	0	0	116.9	H453 K489 N492	H453-E455 PolarHBondContact O-N 3.4Å; E455-K489 IonicContact OE2-NZ 3.56Å; E455-K489 PolarHBondContact OE2-NZ 3.08Å; E455-N492 PolarHBondContact O-ND2 3.14Å
456	N	81.3	Confident	65.6	Low	49 Å²	49	75.5 Å²	75.5	26%	0.262	38%	0.375	S	S	.	.			trans	-119.1	46.1	-170.4	-64.5	-35.8	0	0	0	113.9	H453 N492 Y538 G571 K572	H453-N456 PolarHBondContact O-N 2.68Å; N456-N492 PolarHBondContact OD1-ND2 2.72Å; N456-N492 VanDerWaalsContact OD1-ND2 3.14Å; N456-Y538 WeakPolarHBondContact O-CE1 3.44Å; N456-G571 WeakPolarHBondContact O-CA 3.15Å; N456-K572 HydrophobicContact CB-CB 4.05Å; N456-K572 PolarHBondContact O-N 3.36Å
457	Y	90.9	Very high	67.5	Low	93 Å²	93	70.8 Å²	70.8	37%	0.365	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140	175.6	-62.2	-80.6	0	0	0	112.4	H453 I541 V569 F570	H453-Y457 HydrophobicContact CB-CE1 4.47Å; H453-Y457 HydrophobicContact CB-CE2 4.15Å; H453-Y457 WeakPolarHBondContact CB-OH 3.26Å; H453-Y457 WeakPolarHBondContact O-CE2 2.98Å; Y457-I541 HydrophobicContact CD1-CD1 4.07Å; Y457-I541 HydrophobicContact CE1-CD1 3.6Å; Y457-V569 HydrophobicContact CD1-CG1 4.28Å; Y457-F570 VanDerWaalsContact CA-O 3.32Å; Y457-F570 WeakPolarHBondContact CA-O 3.42Å
458	I	92.9	Very high	69.2	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.2	171.5	-66.8	177.5	0	0	0	108.1	L460 V486 C487 N492 I496 F497 L533 Y538 F570	I458-L460 HydrophobicContact CG2-CD2 4.46Å; I458-V486 HydrophobicContact CG2-CG1 4.08Å; I458-C487 CarbonylContact C-O 3.5Å; I458-C487 WeakPolarHBondContact CA-O 3.38Å; I458-N492 HydrophobicContact CD1-CB 4.35Å; I458-I496 HydrophobicContact CD1-CD1 3.16Å; I458-F497 HydrophobicContact CG2-CE2 4.43Å; I458-L533 HydrophobicContact CB-CD2 4.41Å; I458-L533 HydrophobicContact CD1-CD2 4.08Å; I458-L533 HydrophobicContact CG2-CD2 4.3Å; I458-Y538 HydrophobicContact CB-CE1 4.41Å; I458-Y538 HydrophobicContact CD1-CD1 4.27Å; I458-Y538 HydrophobicContact CD1-CE1 3.7Å; I458-Y538 HydrophobicContact CG1-CD1 4.45Å; I458-Y538 HydrophobicContact CG1-CE1 3.86Å; I458-F570 PolarHBondContact N-O 3.1Å; I458-F570 WeakPolarHBondContact O-CB 3.28Å; I458-F570 PolarHBondContact O-N 3.22Å
459	T	94.3	Very high	70.6	Confident	29 Å²	29	59 Å²	59	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.4	170.6	78.4	0	0	0	0	111.2	V486 C487 E567 Y568 V569	T459-V486 WeakPolarHBondContact O-CA 3.49Å; T459-C487 PolarHBondContact N-O 2.74Å; T459-C487 PolarHBondContact O-N 3.26Å; T459-C487 WeakPolarHBondContact OG1-CB 3.41Å; T459-E567 PolarHBondContact OG1-OE1 3.15Å; T459-Y568 CarbonylContact C-O 3.5Å; T459-Y568 WeakPolarHBondContact CA-O 3.44Å; T459-V569 HydrophobicContact CG2-CB 4.5Å; T459-V569 HydrophobicContact CG2-CG1 4.41Å; T459-V569 HydrophobicContact CG2-CG2 4.03Å
460	L	94.7	Very high	71.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.7	170	-64.1	-172.9	0	0	0	108.8	I458 I484 T485 V486 F497 A529 F530 L533 E567 Y568 F570	I458-L460 HydrophobicContact CG2-CD2 4.46Å; L460-I484 HydrophobicContact CB-CG2 4.34Å; L460-I484 HydrophobicContact CD2-CG2 4.24Å; L460-T485 WeakPolarHBondContact CA-O 3.44Å; L460-V486 HydrophobicContact CD2-CB 4.22Å; L460-V486 HydrophobicContact CD2-CG1 4.12Å; L460-V486 HydrophobicContact CD2-CG2 3.71Å; L460-F497 HydrophobicContact CD2-CE2 4.48Å; L460-F497 HydrophobicContact CD2-CZ 4.09Å; L460-A529 HydrophobicContact CD1-CB 3.87Å; L460-F530 HydrophobicContact CD1-CD1 3.85Å; L460-F530 HydrophobicContact CD1-CE1 3.81Å; L460-L533 HydrophobicContact CD1-CD1 3.48Å; L460-L533 VanDerWaalsContact CD1-CD1 3.48Å; L460-L533 HydrophobicContact CG-CD1 4.02Å; L460-E567 CarbonylContact O-C 3.59Å; L460-E567 VanDerWaalsContact O-CA 3.28Å; L460-E567 WeakPolarHBondContact O-CA 3.14Å; L460-Y568 HydrophobicContact CB-CD2 4.41Å; L460-Y568 PolarHBondContact N-O 3.29Å; L460-Y568 PolarHBondContact O-N 2.97Å; L460-F570 HydrophobicContact CB-CE2 4.27Å; L460-F570 HydrophobicContact CD1-CE2 3.83Å; L460-F570 HydrophobicContact CD1-CZ 4.33Å; L460-F570 HydrophobicContact CG-CD2 4.35Å; L460-F570 HydrophobicContact CG-CE2 3.95Å
461	G	91.8	Very high	72.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	175.6	0	0	0	0	0	111.1	I484 T485 M566	G461-I484 CarbonylContact O-C 3.49Å; G461-I484 WeakPolarHBondContact O-CA 3.38Å; G461-T485 VanDerWaalsContact CA-OG1 3.3Å; G461-T485 WeakPolarHBondContact CA-OG1 3.43Å; G461-T485 PolarHBondContact N-O 3.49Å; G461-T485 PolarHBondContact N-OG1 3.25Å; G461-T485 PolarHBondContact O-N 3.16Å; G461-T485 PolarHBondContact O-OG1 3.31Å; G461-T485 VanDerWaalsContact O-OG1 3.06Å; G461-M566 WeakPolarHBondContact CA-O 3.02Å
462	H	90.4	Very high	73.5	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.7	169.5	71.3	67.1	0	0	0	112.3	V481 I484 L526 Y565 M566 Y568	H462-V481 HydrophobicContact CB-CG1 4.24Å; H462-I484 HydrophobicContact CB-CG1 4.22Å; H462-L526 WeakPolarHBondContact NE2-CD2 2.94Å; H462-Y565 WeakPolarHBondContact O-CA 3.27Å; H462-Y565 WeakPolarHBondContact O-CD2 2.82Å; H462-M566 PolarHBondContact N-O 3.32Å; H462-M566 PolarHBondContact O-N 2.82Å; H462-Y568 AromaticContact CD2-CE2 3.84Å; H462-Y568 AromaticContact NE2-CE2 3.58Å
463	M	84.4	Confident	74.3	Confident	62 Å²	62	56.3 Å²	56.3	31%	0.305	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.1	158.7	-64.9	-165.2	-48.3	0	0	109.4	N482 Y560 H564 Y565	M463-N482 HydrophobicContact CB-CB 4.18Å; M463-N482 VanDerWaalsContact CE-ND2 3.31Å; M463-N482 WeakPolarHBondContact CE-ND2 3.28Å; M463-N482 WeakPolarHBondContact O-CB 3.43Å; M463-N482 PolarHBondContact O-N 3.46Å; M463-Y560 HydrophobicContact CE-CE1 4.48Å; M463-H564 CarbonylContact C-O 3.5Å; M463-H564 WeakPolarHBondContact CA-O 3.2Å; M463-Y565 HydrophobicContact CG-CD2 4.05Å
464	A	81.6	Confident	74.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.8	171.4	0	0	0	0	0	109.8	K480 S563 H564	A464-K480 WeakPolarHBondContact CA-O 3.39Å; A464-S563 CarbonylContact O-C 3.54Å; A464-S563 VanDerWaalsContact O-CA 3.26Å; A464-S563 WeakPolarHBondContact O-CA 3.46Å; A464-H564 PolarHBondContact N-O 3.28Å; A464-H564 PolarHBondContact O-N 3.5Å
465	G	76.4	Confident	74.9	Confident	6 Å²	6	57.8 Å²	57.8	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-150.6	173.8	0	0	0	0	0	108.9	K480 W562	G465-K480 PolarHBondContact N-O 2.91Å; G465-K480 PolarHBondContact O-N 2.89Å; G465-W562 WeakPolarHBondContact CA-O 3.5Å
466	F	73.3	Confident	74.9	Confident	30 Å²	30	53.9 Å²	53.9	13%	0.132	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.3	176	65.4	-106	0	0	0	114	R163 Y270 V477 F478 W562	R163-F466 HydrophobicContact CG-CE1 4.47Å; Y270-F466 HydrophobicContact CD2-CD1 4.45Å; Y270-F466 HydrophobicContact CG-CD1 4.47Å; F466-V477 HydrophobicContact CB-CG1 3.31Å; F466-V477 HydrophobicContact CD1-CG1 4.18Å; F466-V477 HydrophobicContact CD2-CG1 3.31Å; F466-V477 HydrophobicContact CE2-CG1 4.18Å; F466-V477 HydrophobicContact CG-CG1 3.33Å; F466-F478 CarbonylContact C-O 3.5Å; F466-F478 WeakPolarHBondContact CA-O 3.25Å; F466-F478 VanDerWaalsContact CB-O 3.31Å; F466-F478 WeakPolarHBondContact CB-O 3.12Å; F466-W562 HydrophobicContact CD1-CB 3.6Å; F466-W562 AromaticContact CD1-CG 3.97Å; F466-W562 HydrophobicContact CD1-CG 3.97Å; F466-W562 HydrophobicContact CE1-CB 3.13Å; F466-W562 AromaticContact CE1-CD1 3.64Å; F466-W562 AromaticContact CE1-CD2 3.4Å; F466-W562 HydrophobicContact CE1-CD2 3.4Å; F466-W562 AromaticContact CE1-CE3 3.92Å; F466-W562 HydrophobicContact CE1-CE3 3.92Å; F466-W562 AromaticContact CE1-CG 3.02Å; F466-W562 HydrophobicContact CE1-CG 3.02Å; F466-W562 HydrophobicContact CE2-CB 4.45Å; F466-W562 AromaticContact CE2-CD1 3.67Å; F466-W562 AromaticContact CE2-CG 3.95Å; F466-W562 HydrophobicContact CE2-CG 3.95Å; F466-W562 HydrophobicContact CG-CB 4.45Å; F466-W562 HydrophobicContact CZ-CB 3.59Å; F466-W562 AromaticContact CZ-CD1 3.06Å; F466-W562 AromaticContact CZ-CD2 3.34Å; F466-W562 HydrophobicContact CZ-CD2 3.34Å; F466-W562 AromaticContact CZ-CE2 3.59Å; F466-W562 HydrophobicContact CZ-CE3 4.22Å; F466-W562 AromaticContact CZ-CG 2.97Å; F466-W562 HydrophobicContact CZ-CG 2.97Å; F466-W562 AromaticContact CZ-NE1 3.41Å
467	T	70	Confident	74.4	Confident	66 Å²	66	52.3 Å²	52.3	41%	0.405	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.8	171	-169.4	0	0	0	0	110.7	F478 K480	T467-F478 PolarHBondContact N-O 2.76Å; T467-F478 PolarHBondContact O-N 2.92Å; T467-K480 HydrophobicContact CG2-CB 4.46Å
468	L	66.8	Low	73.6	Confident	71 Å²	71	50 Å²	50	37%	0.372	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.5	173.2	-62.9	176.2	0	0	0	109.6	R470 V477	L468-R470 PolarHBondContact O-N 2.94Å; L468-V477 HydrophobicContact CD2-CG2 4.22Å
469	A	62.4	Low	73.1	Confident	47 Å²	47	50.5 Å²	50.5	39%	0.388	29%	0.291	S	S	.	.	S	Bend	trans	-60.2	-35.8	173.8	0	0	0	0	0	111.7	A476 F478	A469-A476 HydrophobicContact CB-CB 3.61Å; A469-A476 VanDerWaalsContact CB-O 3.24Å; A469-A476 WeakPolarHBondContact CB-O 3.38Å; A469-A476 PolarHBondContact N-O 2.94Å; A469-F478 HydrophobicContact CB-CD2 3.99Å; A469-F478 HydrophobicContact CB-CE2 3.51Å
470	R	59.9	Low	72.6	Confident	169 Å²	169	52.6 Å²	52.6	64%	0.638	30%	0.298	S	S	*	.	S	Bend	trans	-149.7	144.8	176.4	-62	-174.8	-171.4	-168.2	1.4	109.4	L468 G472 Q473	L468-R470 PolarHBondContact O-N 2.94Å; R470-G472 PolarHBondContact O-N 3.31Å; R470-Q473 PolarHBondContact O-N 2.89Å
471	P	58.5	Low	72	Confident	130 Å²	130	53.6 Å²	53.6	84%	0.844	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	130.4	170.3	-23.7	33.1	0	0	0	110.6
472	G	61.7	Low	71.7	Confident	72 Å²	72	56 Å²	56	74%	0.742	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	3.8	177.6	0	0	0	0	0	117.1	R470 P474	R470-G472 PolarHBondContact O-N 3.31Å; G472-P474 WeakPolarHBondContact O-CD 3.36Å
473	Q	61.1	Low	71.6	Confident	104 Å²	104	62.3 Å²	62.3	49%	0.486	34%	0.341	S	S	.	.			trans	-112.4	84.2	172.3	-72.8	-165.3	-33	0	0	111.7	R470 D475 A476	R470-Q473 PolarHBondContact O-N 2.89Å; Q473-D475 PolarHBondContact O-N 2.96Å; Q473-D475 VanDerWaalsContact O-N 3.12Å; Q473-A476 HydrophobicContact CB-CB 4.3Å; Q473-A476 PolarHBondContact O-N 3.41Å
474	P	59.5	Low	72.1	Confident	82 Å²	82	59.3 Å²	59.3	53%	0.532	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.4	-174.5	26.2	-34.5	0	0	0	114.1	G472 V477	G472-P474 WeakPolarHBondContact O-CD 3.36Å; P474-V477 WeakPolarHBondContact O-CG2 3.4Å
475	D	57.9	Low	72.7	Confident	100 Å²	100	61.8 Å²	61.8	54%	0.535	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.6	-177.9	-58	-35.9	0	0	0	113.7	Q473 V477	Q473-D475 PolarHBondContact O-N 2.96Å; Q473-D475 VanDerWaalsContact O-N 3.12Å; D475-V477 PolarHBondContact O-N 3.36Å
476	A	63	Low	73.5	Confident	18 Å²	18	61.5 Å²	61.5	15%	0.149	34%	0.338	C	S	.	.			trans	-100	78	-177.7	0	0	0	0	0	109.4	A469 Q473	A469-A476 HydrophobicContact CB-CB 3.61Å; A469-A476 VanDerWaalsContact CB-O 3.24Å; A469-A476 WeakPolarHBondContact CB-O 3.38Å; A469-A476 PolarHBondContact N-O 2.94Å; Q473-A476 HydrophobicContact CB-CB 4.3Å; Q473-A476 PolarHBondContact O-N 3.41Å
477	V	70.2	Confident	74.4	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.1	-173.4	-171.3	0	0	0	0	110.3	L185 F466 L468 P474 D475	L185-V477 WeakPolarHBondContact CD2-O 3.38Å; F466-V477 HydrophobicContact CB-CG1 3.31Å; F466-V477 HydrophobicContact CD1-CG1 4.18Å; F466-V477 HydrophobicContact CD2-CG1 3.31Å; F466-V477 HydrophobicContact CE2-CG1 4.18Å; F466-V477 HydrophobicContact CG-CG1 3.33Å; L468-V477 HydrophobicContact CD2-CG2 4.22Å; P474-V477 WeakPolarHBondContact O-CG2 3.4Å; D475-V477 PolarHBondContact O-N 3.36Å
478	F	75	Confident	75.4	Confident	43 Å²	43	58.5 Å²	58.5	19%	0.189	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.9	176.1	-64.3	-71.8	0	0	0	111.9	R218 F466 T467 A469 K480	R218-F478 HydrophobicContact CB-CD1 4.38Å; R218-F478 HydrophobicContact CB-CE1 4.15Å; R218-F478 HydrophobicContact CG-CD1 4.23Å; R218-F478 HydrophobicContact CG-CE1 4.29Å; F466-F478 CarbonylContact C-O 3.5Å; F466-F478 WeakPolarHBondContact CA-O 3.25Å; F466-F478 VanDerWaalsContact CB-O 3.31Å; F466-F478 WeakPolarHBondContact CB-O 3.12Å; T467-F478 PolarHBondContact N-O 2.76Å; T467-F478 PolarHBondContact O-N 2.92Å; A469-F478 HydrophobicContact CB-CD2 3.99Å; A469-F478 HydrophobicContact CB-CE2 3.51Å; F478-K480 PolarHBondContact O-N 3.1Å
479	R	82.9	Confident	76.4	Confident	11 Å²	11	56 Å²	56	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.7	173.4	-172.4	-174.9	-177.3	-158.1	7.6	110.2	L185 C187 E272 V481 E527	L185-R479 HydrophobicContact CD1-CB 4.48Å; C187-R479 WeakPolarHBondContact SG-CD 3.32Å; E272-R479 WeakPolarHBondContact OE1-CD 3.41Å; E272-R479 IonicContact OE1-CZ 3.66Å; E272-R479 IonicContact OE1-NE 3.49Å; E272-R479 PolarHBondContact OE1-NE 3.08Å; E272-R479 IonicContact OE1-NH2 3.59Å; E272-R479 PolarHBondContact OE1-NH2 3.37Å; E272-R479 VanDerWaalsContact OE1-NH2 3.12Å; E272-R479 IonicContact OE2-CZ 3.77Å; E272-R479 IonicContact OE2-NE 3.82Å; E272-R479 IonicContact OE2-NH2 3.16Å; E272-R479 PolarHBondContact OE2-NH2 2.8Å; R479-V481 HydrophobicContact CG-CG2 4.09Å; R479-E527 IonicContact CZ-OE1 2.68Å; R479-E527 IonicContact NH1-OE1 2.72Å; R479-E527 PolarHBondContact NH1-OE1 3.2Å; R479-E527 IonicContact NH1-OE2 3.68Å
480	K	82.8	Confident	77.5	Confident	74 Å²	74	53.7 Å²	53.7	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115	172.4	-177.1	-178.2	177.1	-172	0	107.6	A464 G465 T467 F478 E559	A464-K480 WeakPolarHBondContact CA-O 3.39Å; G465-K480 PolarHBondContact N-O 2.91Å; G465-K480 PolarHBondContact O-N 2.89Å; T467-K480 HydrophobicContact CG2-CB 4.46Å; F478-K480 PolarHBondContact O-N 3.1Å; K480-E559 IonicContact NZ-OE1 2.82Å; K480-E559 PolarHBondContact NZ-OE1 2.79Å
481	V	83.5	Confident	78.8	Confident	20 Å²	20	47.5 Å²	47.5	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125	172.9	-176.5	0	0	0	0	107.4	H462 R479 I484 N524	H462-V481 HydrophobicContact CB-CG1 4.24Å; R479-V481 HydrophobicContact CG-CG2 4.09Å; V481-I484 HydrophobicContact CG1-CG1 4.2Å; V481-N524 HydrophobicContact CB-CB 4.47Å; V481-N524 WeakPolarHBondContact O-CB 3.37Å; V481-N524 PolarHBondContact O-ND2 3.32Å
482	N	85.4	Confident	80.2	Confident	52 Å²	52	42 Å²	42	28%	0.278	24%	0.238	S	C	.	.			trans	-75.8	-174.5	173.1	-71.4	-25.6	0	0	0	110	M463 I484	M463-N482 HydrophobicContact CB-CB 4.18Å; M463-N482 VanDerWaalsContact CE-ND2 3.31Å; M463-N482 WeakPolarHBondContact CE-ND2 3.28Å; M463-N482 WeakPolarHBondContact O-CB 3.43Å; M463-N482 PolarHBondContact O-N 3.46Å; N482-I484 PolarHBondContact O-N 2.79Å
483	R	88.3	Confident	81.6	Confident	134 Å²	134	38.5 Å²	38.5	51%	0.506	20%	0.202	S	C	.	.			trans	-58.1	130.5	-178.7	-143	172.2	-158.4	149.6	5.5	110.8	F520	R483-F520 HydrophobicContact CG-CB 4.03Å; R483-F520 HydrophobicContact CG-CD2 4.12Å; R483-F520 HydrophobicContact CG-CG 4.1Å; R483-F520 VanDerWaalsContact NH2-CZ 3.32Å
484	I	93	Very high	82.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.			trans	-85.8	112.1	177.5	-57.2	167.1	0	0	0	107.7	L460 G461 H462 V481 N482 F520 L521 L526	L460-I484 HydrophobicContact CB-CG2 4.34Å; L460-I484 HydrophobicContact CD2-CG2 4.24Å; G461-I484 CarbonylContact O-C 3.49Å; G461-I484 WeakPolarHBondContact O-CA 3.38Å; H462-I484 HydrophobicContact CB-CG1 4.22Å; V481-I484 HydrophobicContact CG1-CG1 4.2Å; N482-I484 PolarHBondContact O-N 2.79Å; I484-F520 CarbonylContact O-C 3.6Å; I484-F520 WeakPolarHBondContact O-CA 3.38Å; I484-F520 VanDerWaalsContact O-CB 3.28Å; I484-F520 WeakPolarHBondContact O-CB 3.4Å; I484-L521 HydrophobicContact CB-CB 4.35Å; I484-L521 HydrophobicContact CB-CD1 4.06Å; I484-L521 HydrophobicContact CB-CG 4.35Å; I484-L521 HydrophobicContact CD1-CD1 4.16Å; I484-L521 HydrophobicContact CG2-CD1 3.88Å; I484-L521 HydrophobicContact CG2-CG 4.39Å; I484-L521 PolarHBondContact O-N 2.95Å; I484-L526 HydrophobicContact CD1-CB 4.38Å; I484-L526 HydrophobicContact CD1-CD1 4.44Å
485	T	94.3	Very high	84.2	Confident	52 Å²	52	41.5 Å²	41.5	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.9	173.7	55.1	0	0	0	0	110.1	L460 G461 M519	L460-T485 WeakPolarHBondContact CA-O 3.44Å; G461-T485 VanDerWaalsContact CA-OG1 3.3Å; G461-T485 WeakPolarHBondContact CA-OG1 3.43Å; G461-T485 PolarHBondContact N-O 3.49Å; G461-T485 PolarHBondContact N-OG1 3.25Å; G461-T485 PolarHBondContact O-N 3.16Å; G461-T485 PolarHBondContact O-OG1 3.31Å; G461-T485 VanDerWaalsContact O-OG1 3.06Å; T485-M519 WeakPolarHBondContact CA-O 3.46Å
486	V	94.2	Very high	85.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.3	177.6	-173.8	0	0	0	0	107.9	I458 T459 L460 C493 F497 L501 M519 L521	I458-V486 HydrophobicContact CG2-CG1 4.08Å; T459-V486 WeakPolarHBondContact O-CA 3.49Å; L460-V486 HydrophobicContact CD2-CB 4.22Å; L460-V486 HydrophobicContact CD2-CG1 4.12Å; L460-V486 HydrophobicContact CD2-CG2 3.71Å; V486-C493 HydrophobicContact CG1-CB 4.24Å; V486-F497 HydrophobicContact CG1-CD2 4.06Å; V486-F497 HydrophobicContact CG1-CE2 3.66Å; V486-F497 HydrophobicContact CG2-CE2 4.33Å; V486-L501 HydrophobicContact CB-CD1 3.94Å; V486-L501 HydrophobicContact CG1-CD1 4.21Å; V486-L501 HydrophobicContact CG2-CD1 3.75Å; V486-M519 HydrophobicContact CB-CB 4.28Å; V486-M519 HydrophobicContact CG1-CE 4.45Å; V486-M519 PolarHBondContact N-O 3.32Å; V486-M519 WeakPolarHBondContact O-CB 3.35Å; V486-L521 HydrophobicContact CG2-CD1 4.44Å; V486-L521 HydrophobicContact CG2-CD2 3.76Å; V486-L521 HydrophobicContact CG2-CG 3.69Å
487	C	92.6	Very high	87	Confident	26 Å²	26	36.5 Å²	36.5	18%	0.176	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.8	176	-48.9	0	0	0	0	109.9	I458 T459 T516	I458-C487 CarbonylContact C-O 3.5Å; I458-C487 WeakPolarHBondContact CA-O 3.38Å; T459-C487 PolarHBondContact N-O 2.74Å; T459-C487 PolarHBondContact O-N 3.26Å; T459-C487 WeakPolarHBondContact OG1-CB 3.41Å; C487-T516 VanDerWaalsContact CA-O 3.26Å; C487-T516 WeakPolarHBondContact CA-O 3.4Å
488	G	90.7	Very high	87.8	Confident	8 Å²	8	37.5 Å²	37.5	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-170.7	-179.6	0	0	0	0	0	112.5	V490 Y515 T516	G488-V490 PolarHBondContact O-N 3.31Å; G488-Y515 WeakPolarHBondContact O-CA 3.18Å; G488-T516 PolarHBondContact N-O 2.92Å; G488-T516 PolarHBondContact O-N 2.89Å
489	K	88.7	Confident	88.3	Confident	17 Å²	17	41.6 Å²	41.6	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.4	173.8	-158.6	174.5	-176.7	179.5	0	109.3	E455 S491 N492 C493 N513 Y515	E455-K489 IonicContact OE2-NZ 3.56Å; E455-K489 PolarHBondContact OE2-NZ 3.08Å; K489-S491 VanDerWaalsContact C-N 3.32Å; K489-S491 PolarHBondContact O-N 2.9Å; K489-N492 HydrophobicContact CB-CB 4.37Å; K489-N492 PolarHBondContact O-N 2.97Å; K489-N492 VanDerWaalsContact O-N 3.15Å; K489-C493 PolarHBondContact O-N 2.87Å; K489-C493 PolarHBondContact O-SG 3.28Å; K489-N513 WeakPolarHBondContact CE-OD1 3.48Å; K489-N513 PolarHBondContact NZ-OD1 2.87Å; K489-Y515 HydrophobicContact CB-CD1 4.28Å; K489-Y515 HydrophobicContact CB-CE1 4.05Å
490	V	85.3	Confident	88.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-40.6	-170.4	174.8	0	0	0	0	111.8	G488 N492 C493 R494 C509 H514 T516	G488-V490 PolarHBondContact O-N 3.31Å; V490-N492 VanDerWaalsContact C-N 3.34Å; V490-N492 PolarHBondContact O-N 3.32Å; V490-C493 PolarHBondContact O-N 3.29Å; V490-R494 HydrophobicContact CG1-CG 4.35Å; V490-R494 WeakPolarHBondContact O-CB 3.16Å; V490-R494 WeakPolarHBondContact O-CG 3.37Å; V490-R494 PolarHBondContact O-N 3.28Å; V490-C509 WeakPolarHBondContact CG2-SG 3.49Å; V490-H514 WeakPolarHBondContact CG2-O 3.41Å; V490-H514 PolarHBondContact N-O 3.35Å; V490-T516 HydrophobicContact CG2-CG2 3.57Å
491	S	85.5	Confident	88.8	Confident	38 Å²	38	40.8 Å²	40.8	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-53.2	-51.3	174.1	52.3	0	0	0	0	111.7	K489 R494 E495 A512	K489-S491 VanDerWaalsContact C-N 3.32Å; K489-S491 PolarHBondContact O-N 2.9Å; S491-R494 PolarHBondContact O-N 3.03Å; S491-E495 WeakPolarHBondContact O-CB 3.47Å; S491-E495 PolarHBondContact O-N 3.32Å; S491-A512 VanDerWaalsContact CB-O 3.3Å; S491-A512 WeakPolarHBondContact CB-O 3.2Å; S491-A512 PolarHBondContact N-O 3.1Å; S491-A512 PolarHBondContact OG-O 2.97Å
492	N	89.2	Confident	89.1	Confident	14 Å²	14	40.6 Å²	40.6	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-42.2	-175	-62.2	18.6	0	0	0	110.7	E455 N456 I458 K489 V490 R494 E495 I496 Y538	E455-N492 PolarHBondContact O-ND2 3.14Å; N456-N492 PolarHBondContact OD1-ND2 2.72Å; N456-N492 VanDerWaalsContact OD1-ND2 3.14Å; I458-N492 HydrophobicContact CD1-CB 4.35Å; K489-N492 HydrophobicContact CB-CB 4.37Å; K489-N492 PolarHBondContact O-N 2.97Å; K489-N492 VanDerWaalsContact O-N 3.15Å; V490-N492 VanDerWaalsContact C-N 3.34Å; V490-N492 PolarHBondContact O-N 3.32Å; N492-R494 VanDerWaalsContact C-N 3.34Å; N492-R494 PolarHBondContact O-N 2.75Å; N492-E495 PolarHBondContact O-N 2.72Å; N492-I496 VanDerWaalsContact O-CD1 3.24Å; N492-I496 WeakPolarHBondContact O-CD1 3.41Å; N492-I496 VanDerWaalsContact O-CG1 3.28Å; N492-I496 WeakPolarHBondContact O-CG1 3.38Å; N492-I496 PolarHBondContact O-N 3.04Å; N492-Y538 PolarHBondContact ND2-OH 3.03Å
493	C	90.6	Very high	88.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-40.8	177.6	-60.8	0	0	0	0	111.5	V486 K489 V490 I496 F497 L501 M519	V486-C493 HydrophobicContact CG1-CB 4.24Å; K489-C493 PolarHBondContact O-N 2.87Å; K489-C493 PolarHBondContact O-SG 3.28Å; V490-C493 PolarHBondContact O-N 3.29Å; C493-I496 PolarHBondContact O-N 2.93Å; C493-F497 HydrophobicContact CB-CD2 4.5Å; C493-F497 WeakPolarHBondContact O-CB 3.31Å; C493-F497 VanDerWaalsContact O-CD2 3.27Å; C493-F497 WeakPolarHBondContact O-CD2 3.39Å; C493-F497 PolarHBondContact O-N 3.04Å; C493-L501 HydrophobicContact CB-CD2 3.78Å; C493-M519 HydrophobicContact CB-CE 3.45Å; C493-M519 VanDerWaalsContact CB-CE 3.45Å; C493-M519 HydrophobicContact CB-SD 4.47Å; C493-M519 VanDerWaalsContact SG-CE 3.55Å
494	R	88.6	Confident	88.1	Confident	131 Å²	131	41 Å²	41	49%	0.494	22%	0.218	S	C	.	.	H	α-helix	trans	-69.1	-36.6	177.2	-74.6	-177.8	-178.4	165.3	1.6	112.6	V490 S491 N492 I496 G498 L501	V490-R494 HydrophobicContact CG1-CG 4.35Å; V490-R494 WeakPolarHBondContact O-CB 3.16Å; V490-R494 WeakPolarHBondContact O-CG 3.37Å; V490-R494 PolarHBondContact O-N 3.28Å; S491-R494 PolarHBondContact O-N 3.03Å; N492-R494 VanDerWaalsContact C-N 3.34Å; N492-R494 PolarHBondContact O-N 2.75Å; R494-I496 VanDerWaalsContact C-N 3.29Å; R494-I496 PolarHBondContact O-N 2.96Å; R494-G498 WeakPolarHBondContact O-CA 3.44Å; R494-G498 PolarHBondContact O-N 3.23Å; R494-L501 HydrophobicContact CG-CD2 4.24Å
495	E	87.6	Confident	87.2	Confident	117 Å²	117	49 Å²	49	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-43.2	174.3	-176.4	-173.8	164.5	0	0	111.4	S491 N492	S491-E495 WeakPolarHBondContact O-CB 3.47Å; S491-E495 PolarHBondContact O-N 3.32Å; N492-E495 PolarHBondContact O-N 2.72Å
496	I	88	Confident	86	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-83	-46.9	-173.2	-62.9	159.1	0	0	0	112.1	I458 N492 C493 R494 Q532 L533 N536 Y538	I458-I496 HydrophobicContact CD1-CD1 3.16Å; N492-I496 VanDerWaalsContact O-CD1 3.24Å; N492-I496 WeakPolarHBondContact O-CD1 3.41Å; N492-I496 VanDerWaalsContact O-CG1 3.28Å; N492-I496 WeakPolarHBondContact O-CG1 3.38Å; N492-I496 PolarHBondContact O-N 3.04Å; C493-I496 PolarHBondContact O-N 2.93Å; R494-I496 VanDerWaalsContact C-N 3.29Å; R494-I496 PolarHBondContact O-N 2.96Å; I496-Q532 HydrophobicContact CG2-CB 4.16Å; I496-L533 HydrophobicContact CD1-CD2 3.95Å; I496-L533 HydrophobicContact CG2-CD2 4.15Å; I496-L533 HydrophobicContact CG2-CG 4.29Å; I496-N536 HydrophobicContact CG1-CB 3.92Å; I496-Y538 HydrophobicContact CD1-CD2 3.63Å; I496-Y538 HydrophobicContact CD1-CE1 4.34Å; I496-Y538 HydrophobicContact CD1-CE2 3.25Å; I496-Y538 HydrophobicContact CD1-CG 4.33Å; I496-Y538 HydrophobicContact CG1-CD2 4.4Å; I496-Y538 HydrophobicContact CG1-CE2 4.09Å
497	F	90.2	Very high	84.6	Confident	4 Å²	4	53 Å²	53	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-97.1	-19.1	-171.4	-59.7	-63.2	0	0	0	113	I458 L460 V486 C493 N499 N500 L501 L521 A529 Q532 L533	I458-F497 HydrophobicContact CG2-CE2 4.43Å; L460-F497 HydrophobicContact CD2-CE2 4.48Å; L460-F497 HydrophobicContact CD2-CZ 4.09Å; V486-F497 HydrophobicContact CG1-CD2 4.06Å; V486-F497 HydrophobicContact CG1-CE2 3.66Å; V486-F497 HydrophobicContact CG2-CE2 4.33Å; C493-F497 HydrophobicContact CB-CD2 4.5Å; C493-F497 WeakPolarHBondContact O-CB 3.31Å; C493-F497 VanDerWaalsContact O-CD2 3.27Å; C493-F497 WeakPolarHBondContact O-CD2 3.39Å; C493-F497 PolarHBondContact O-N 3.04Å; F497-N499 PolarHBondContact O-N 3.33Å; F497-N500 VanDerWaalsContact O-CB 3.27Å; F497-N500 WeakPolarHBondContact O-CB 3.36Å; F497-N500 PolarHBondContact O-N 3.34Å; F497-L501 HydrophobicContact CB-CB 4.02Å; F497-L501 HydrophobicContact CB-CD1 4.26Å; F497-L501 HydrophobicContact CD2-CD1 4.18Å; F497-L501 HydrophobicContact CG-CD1 4.47Å; F497-L521 HydrophobicContact CB-CD2 3.99Å; F497-L521 HydrophobicContact CD1-CD2 3.53Å; F497-L521 HydrophobicContact CD2-CD2 4.16Å; F497-L521 HydrophobicContact CE1-CD1 4.36Å; F497-L521 HydrophobicContact CE1-CD2 4.02Å; F497-L521 HydrophobicContact CG-CD2 3.61Å; F497-A529 HydrophobicContact CE1-CB 4.23Å; F497-Q532 HydrophobicContact CD1-CB 4.46Å; F497-Q532 HydrophobicContact CE1-CB 4.32Å; F497-L533 HydrophobicContact CE1-CG 4.38Å; F497-L533 HydrophobicContact CZ-CD1 4.02Å; F497-L533 HydrophobicContact CZ-CD2 4.13Å; F497-L533 HydrophobicContact CZ-CG 3.87Å
498	G	87.6	Confident	83.3	Confident	38 Å²	38	57.3 Å²	57.3	39%	0.392	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	46.7	-124.7	178.6	0	0	0	0	0	112.7	R494 N500 L501	R494-G498 WeakPolarHBondContact O-CA 3.44Å; R494-G498 PolarHBondContact O-N 3.23Å; G498-N500 PolarHBondContact O-N 3.44Å; G498-L501 PolarHBondContact O-N 3.06Å
499	N	86.2	Confident	81.8	Confident	129 Å²	129	57.2 Å²	57.2	69%	0.69	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-67.6	-14.1	-178.9	-68.5	-26	0	0	0	114.2	F497 L501 K522	F497-N499 PolarHBondContact O-N 3.33Å; N499-L501 VanDerWaalsContact C-N 3.25Å; N499-L501 PolarHBondContact O-N 2.78Å; N499-K522 WeakPolarHBondContact O-CD 3.16Å; N499-K522 WeakPolarHBondContact O-CE 3.36Å; N499-K522 PolarHBondContact O-NZ 3.31Å
500	N	86.6	Confident	80.2	Confident	58 Å²	58	65.6 Å²	65.6	31%	0.31	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-76.9	-12.6	175.7	-66	-24.1	0	0	0	112.6	F497 G498 L521 K522 Q532	F497-N500 VanDerWaalsContact O-CB 3.27Å; F497-N500 WeakPolarHBondContact O-CB 3.36Å; F497-N500 PolarHBondContact O-N 3.34Å; G498-N500 PolarHBondContact O-N 3.44Å; N500-L521 CarbonylContact O-C 3.58Å; N500-L521 WeakPolarHBondContact O-CA 3.38Å; N500-K522 WeakPolarHBondContact O-CB 3.47Å; N500-K522 WeakPolarHBondContact O-CG 3.32Å; N500-K522 PolarHBondContact O-N 3.06Å; N500-Q532 PolarHBondContact ND2-NE2 2.91Å
501	L	89.3	Confident	79	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-88.6	142.6	175.8	-154.3	64.3	0	0	0	110.5	V486 C493 R494 F497 G498 N499 M519 L521 K522	V486-L501 HydrophobicContact CB-CD1 3.94Å; V486-L501 HydrophobicContact CG1-CD1 4.21Å; V486-L501 HydrophobicContact CG2-CD1 3.75Å; C493-L501 HydrophobicContact CB-CD2 3.78Å; R494-L501 HydrophobicContact CG-CD2 4.24Å; F497-L501 HydrophobicContact CB-CB 4.02Å; F497-L501 HydrophobicContact CB-CD1 4.26Å; F497-L501 HydrophobicContact CD2-CD1 4.18Å; F497-L501 HydrophobicContact CG-CD1 4.47Å; G498-L501 PolarHBondContact O-N 3.06Å; N499-L501 VanDerWaalsContact C-N 3.25Å; N499-L501 PolarHBondContact O-N 2.78Å; L501-M519 HydrophobicContact CD1-CB 4.03Å; L501-M519 HydrophobicContact CD2-CE 4.02Å; L501-M519 HydrophobicContact CD2-SD 3.53Å; L501-M519 VanDerWaalsContact CD2-SD 3.53Å; L501-M519 HydrophobicContact CG-CB 4.24Å; L501-M519 HydrophobicContact CG-SD 4.19Å; L501-L521 HydrophobicContact CD1-CD2 3.99Å; L501-K522 WeakPolarHBondContact O-CE 3.06Å; L501-K522 PolarHBondContact O-NZ 3.42Å
502	N	88.6	Confident	77.7	Confident	16 Å²	16	71.7 Å²	71.7	9%	0.086	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.3	165.7	167.8	72.8	-50.8	0	0	0	111.7	M519 F520	N502-M519 VanDerWaalsContact OD1-CA 3.25Å; N502-M519 WeakPolarHBondContact OD1-CA 3.33Å; N502-F520 HydrophobicContact CB-CD2 3.93Å; N502-F520 HydrophobicContact CB-CE1 4.17Å; N502-F520 HydrophobicContact CB-CE2 3.41Å; N502-F520 VanDerWaalsContact CB-CE2 3.41Å; N502-F520 HydrophobicContact CB-CG 4.48Å; N502-F520 HydrophobicContact CB-CZ 3.57Å; N502-F520 PolarHBondContact N-O 3.4Å; N502-F520 WeakPolarHBondContact ND2-CE1 3.38Å; N502-F520 WeakPolarHBondContact ND2-CZ 3.28Å; N502-F520 PolarHBondContact OD1-N 2.99Å; N502-F520 PolarHBondContact OD1-O 2.82Å
503	E	79	Confident	76.7	Confident	171 Å²	171	76 Å²	76	80%	0.799	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-65.2	134.8	164.9	-70	177.8	-178	0	0	110.2	R505	E503-R505 PolarHBondContact O-N 3.4Å
504	S	74.9	Confident	76.1	Confident	23 Å²	23	79.5 Å²	79.5	16%	0.161	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59.8	133	177	178.7	0	0	0	0	110.2	D506 C509 T516	S504-D506 PolarHBondContact O-N 2.81Å; S504-D506 WeakPolarHBondContact OG-CB 3.3Å; S504-D506 PolarHBondContact OG-N 3.04Å; S504-C509 WeakPolarHBondContact CB-SG 3.47Å; S504-C509 PolarHBondContact OG-SG 3.01Å; S504-T516 PolarHBondContact OG-OG1 2.85Å
505	R	73.4	Confident	75.9	Confident	168 Å²	168	78.7 Å²	78.7	63%	0.634	41%	0.412	S	S	*	.			trans	-90.2	19.6	174.8	-58.9	-178.7	175.2	-174.2	-4.1	112.7	E503 R518	E503-R505 PolarHBondContact O-N 3.4Å; R505-R518 HydrophobicContact CB-CB 4.21Å; R505-R518 PolarHBondContact N-O 2.92Å; R505-R518 WeakPolarHBondContact O-CD 3.2Å; R505-R518 PolarHBondContact O-NH1 2.99Å
506	D	69.6	Low	75.7	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.134	39%	0.388	C	S	.	.			trans	-94.6	119.7	176.6	-163.9	-35.8	0	0	0	109.4	S504 N508 C509	S504-D506 PolarHBondContact O-N 2.81Å; S504-D506 WeakPolarHBondContact OG-CB 3.3Å; S504-D506 PolarHBondContact OG-N 3.04Å; D506-N508 PolarHBondContact O-N 3.42Å; D506-N508 VanDerWaalsContact O-N 3.1Å; D506-N508 PolarHBondContact OD1-N 3.32Å; D506-C509 HydrophobicContact CB-CB 4.05Å; D506-C509 WeakPolarHBondContact O-CB 3.3Å; D506-C509 PolarHBondContact O-N 2.82Å
507	P	64.7	Low	75.4	Confident	113 Å²	113	79.9 Å²	79.9	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.6	-175.1	23.4	-32.7	0	0	0	114.4
508	N	64.6	Low	75	Confident	115 Å²	115	85.2 Å²	85.2	62%	0.615	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	11.7	-179.8	-63.7	-30.3	0	0	0	113.8	D506 E510	D506-N508 PolarHBondContact O-N 3.42Å; D506-N508 VanDerWaalsContact O-N 3.1Å; D506-N508 PolarHBondContact OD1-N 3.32Å; N508-E510 PolarHBondContact O-N 3.07Å
509	C	59.8	Low	75.2	Confident	7 Å²	7	83.6 Å²	83.6	5%	0.047	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	-162.1	-158.3	0	0	0	0	116.5	V490 S504 D506 V511	V490-C509 WeakPolarHBondContact CG2-SG 3.49Å; S504-C509 WeakPolarHBondContact CB-SG 3.47Å; S504-C509 PolarHBondContact OG-SG 3.01Å; D506-C509 HydrophobicContact CB-CB 4.05Å; D506-C509 WeakPolarHBondContact O-CB 3.3Å; D506-C509 PolarHBondContact O-N 2.82Å; C509-V511 VanDerWaalsContact C-N 3.26Å; C509-V511 PolarHBondContact O-N 3.01Å
510	E	54.8	Low	75.5	Confident	193 Å²	193	78.7 Å²	78.7	90%	0.902	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.9	-172.7	-67.7	-166.9	166.6	0	0	114.6	N508	N508-E510 PolarHBondContact O-N 3.07Å
511	V	60.6	Low	75.8	Confident	101 Å²	101	75.9 Å²	75.9	61%	0.612	37%	0.373	S	S	*	.	S	Bend	trans	-87.5	119.8	175.5	-169.6	0	0	0	0	109.4	C509 N513 H514	C509-V511 VanDerWaalsContact C-N 3.26Å; C509-V511 PolarHBondContact O-N 3.01Å; V511-N513 PolarHBondContact O-N 2.92Å; V511-H514 WeakPolarHBondContact O-CB 3.32Å; V511-H514 PolarHBondContact O-N 3.16Å
512	A	58.5	Low	75.8	Confident	64 Å²	64	81.6 Å²	81.6	53%	0.529	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-23.4	-171.7	0	0	0	0	0	115.6	S491	S491-A512 VanDerWaalsContact CB-O 3.3Å; S491-A512 WeakPolarHBondContact CB-O 3.2Å; S491-A512 PolarHBondContact N-O 3.1Å; S491-A512 PolarHBondContact OG-O 2.97Å
513	N	67.2	Low	75.8	Confident	106 Å²	106	82.1 Å²	82.1	57%	0.567	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	9.2	179.1	-78.1	-17.7	0	0	0	115	K489 V511	K489-N513 WeakPolarHBondContact CE-OD1 3.48Å; K489-N513 PolarHBondContact NZ-OD1 2.87Å; V511-N513 PolarHBondContact O-N 2.92Å
514	H	78.7	Confident	76.2	Confident	73 Å²	73	77.7 Å²	77.7	34%	0.338	38%	0.38	S	S	.	.			trans	-78.3	145.5	178.8	-155.4	66.1	0	0	0	112	V490 V511	V490-H514 WeakPolarHBondContact CG2-O 3.41Å; V490-H514 PolarHBondContact N-O 3.35Å; V511-H514 WeakPolarHBondContact O-CB 3.32Å; V511-H514 PolarHBondContact O-N 3.16Å
515	Y	85.1	Confident	77	Confident	113 Å²	113	79.4 Å²	79.4	44%	0.443	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.6	169.9	-71	-94.9	0	0	0	109.2	G488 K489	G488-Y515 WeakPolarHBondContact O-CA 3.18Å; K489-Y515 HydrophobicContact CB-CD1 4.28Å; K489-Y515 HydrophobicContact CB-CE1 4.05Å
516	T	82.8	Confident	77.8	Confident	6 Å²	6	71.4 Å²	71.4	4%	0.037	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.4	173.7	-169.7	0	0	0	0	111.4	C487 G488 V490 S504 R518 M519	C487-T516 VanDerWaalsContact CA-O 3.26Å; C487-T516 WeakPolarHBondContact CA-O 3.4Å; G488-T516 PolarHBondContact N-O 2.92Å; G488-T516 PolarHBondContact O-N 2.89Å; V490-T516 HydrophobicContact CG2-CG2 3.57Å; S504-T516 PolarHBondContact OG-OG1 2.85Å; T516-R518 PolarHBondContact OG1-N 3.29Å; T516-M519 HydrophobicContact CG2-CE 3.33Å; T516-M519 HydrophobicContact CG2-CG 3.63Å; T516-M519 HydrophobicContact CG2-SD 3.5Å; T516-M519 WeakPolarHBondContact CG2-SD 3.39Å
517	Y	81.1	Confident	78.9	Confident	146 Å²	146	70.6 Å²	70.6	57%	0.573	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	10.9	174	61.4	-86.9	0	0	0	111.7
518	R	82.6	Confident	80.1	Confident	116 Å²	116	67 Å²	67	44%	0.438	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	34.4	-174.4	-65.5	-169.1	172.3	-167.1	-2	113.1	R505 T516	R505-R518 HydrophobicContact CB-CB 4.21Å; R505-R518 PolarHBondContact N-O 2.92Å; R505-R518 WeakPolarHBondContact O-CD 3.2Å; R505-R518 PolarHBondContact O-NH1 2.99Å; T516-R518 PolarHBondContact OG1-N 3.29Å
519	M	90.6	Very high	81.4	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157.2	172.2	-59.5	178.6	-51.3	0	0	111	T485 V486 C493 L501 N502 T516	T485-M519 WeakPolarHBondContact CA-O 3.46Å; V486-M519 HydrophobicContact CB-CB 4.28Å; V486-M519 HydrophobicContact CG1-CE 4.45Å; V486-M519 PolarHBondContact N-O 3.32Å; V486-M519 WeakPolarHBondContact O-CB 3.35Å; C493-M519 HydrophobicContact CB-CE 3.45Å; C493-M519 VanDerWaalsContact CB-CE 3.45Å; C493-M519 HydrophobicContact CB-SD 4.47Å; C493-M519 VanDerWaalsContact SG-CE 3.55Å; L501-M519 HydrophobicContact CD1-CB 4.03Å; L501-M519 HydrophobicContact CD2-CE 4.02Å; L501-M519 HydrophobicContact CD2-SD 3.53Å; L501-M519 VanDerWaalsContact CD2-SD 3.53Å; L501-M519 HydrophobicContact CG-CB 4.24Å; L501-M519 HydrophobicContact CG-SD 4.19Å; N502-M519 VanDerWaalsContact OD1-CA 3.25Å; N502-M519 WeakPolarHBondContact OD1-CA 3.33Å; T516-M519 HydrophobicContact CG2-CE 3.33Å; T516-M519 HydrophobicContact CG2-CG 3.63Å; T516-M519 HydrophobicContact CG2-SD 3.5Å; T516-M519 WeakPolarHBondContact CG2-SD 3.39Å
520	F	92.9	Very high	82.8	Confident	26 Å²	26	61.2 Å²	61.2	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.3	176.8	58.7	-107.8	0	0	0	109.9	R483 I484 N502	R483-F520 HydrophobicContact CG-CB 4.03Å; R483-F520 HydrophobicContact CG-CD2 4.12Å; R483-F520 HydrophobicContact CG-CG 4.1Å; R483-F520 VanDerWaalsContact NH2-CZ 3.32Å; I484-F520 CarbonylContact O-C 3.6Å; I484-F520 WeakPolarHBondContact O-CA 3.38Å; I484-F520 VanDerWaalsContact O-CB 3.28Å; I484-F520 WeakPolarHBondContact O-CB 3.4Å; N502-F520 HydrophobicContact CB-CD2 3.93Å; N502-F520 HydrophobicContact CB-CE1 4.17Å; N502-F520 HydrophobicContact CB-CE2 3.41Å; N502-F520 VanDerWaalsContact CB-CE2 3.41Å; N502-F520 HydrophobicContact CB-CG 4.48Å; N502-F520 HydrophobicContact CB-CZ 3.57Å; N502-F520 PolarHBondContact N-O 3.4Å; N502-F520 WeakPolarHBondContact ND2-CE1 3.38Å; N502-F520 WeakPolarHBondContact ND2-CZ 3.28Å; N502-F520 PolarHBondContact OD1-N 2.99Å; N502-F520 PolarHBondContact OD1-O 2.82Å
521	L	92.4	Very high	84.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-76.8	140.7	172.7	-58.9	176.6	0	0	0	110.5	I484 V486 F497 N500 L501 H523 A529	I484-L521 HydrophobicContact CB-CB 4.35Å; I484-L521 HydrophobicContact CB-CD1 4.06Å; I484-L521 HydrophobicContact CB-CG 4.35Å; I484-L521 HydrophobicContact CD1-CD1 4.16Å; I484-L521 HydrophobicContact CG2-CD1 3.88Å; I484-L521 HydrophobicContact CG2-CG 4.39Å; I484-L521 PolarHBondContact O-N 2.95Å; V486-L521 HydrophobicContact CG2-CD1 4.44Å; V486-L521 HydrophobicContact CG2-CD2 3.76Å; V486-L521 HydrophobicContact CG2-CG 3.69Å; F497-L521 HydrophobicContact CB-CD2 3.99Å; F497-L521 HydrophobicContact CD1-CD2 3.53Å; F497-L521 HydrophobicContact CD2-CD2 4.16Å; F497-L521 HydrophobicContact CE1-CD1 4.36Å; F497-L521 HydrophobicContact CE1-CD2 4.02Å; F497-L521 HydrophobicContact CG-CD2 3.61Å; N500-L521 CarbonylContact O-C 3.58Å; N500-L521 WeakPolarHBondContact O-CA 3.38Å; L501-L521 HydrophobicContact CD1-CD2 3.99Å; L521-H523 WeakPolarHBondContact CB-O 3.28Å; L521-H523 PolarHBondContact O-N 2.88Å; L521-A529 HydrophobicContact CD1-CB 3.41Å; L521-A529 VanDerWaalsContact CD1-CB 3.41Å
522	K	90.1	Very high	85.6	Confident	129 Å²	129	49.2 Å²	49.2	56%	0.561	23%	0.233	S	C	*	.	S	Bend	trans	-70.5	-17.8	174.1	-67.7	176.7	-173.8	160.3	0	112	N499 N500 L501	N499-K522 WeakPolarHBondContact O-CD 3.16Å; N499-K522 WeakPolarHBondContact O-CE 3.36Å; N499-K522 PolarHBondContact O-NZ 3.31Å; N500-K522 WeakPolarHBondContact O-CB 3.47Å; N500-K522 WeakPolarHBondContact O-CG 3.32Å; N500-K522 PolarHBondContact O-N 3.06Å; L501-K522 WeakPolarHBondContact O-CE 3.06Å; L501-K522 PolarHBondContact O-NZ 3.42Å
523	H	88.2	Confident	87	Confident	27 Å²	27	46.1 Å²	46.1	13%	0.125	21%	0.208	C	C	.	.	S	Bend	trans	-107.1	157.1	169.4	63.6	86.2	0	0	0	111.2	L521 I525	L521-H523 WeakPolarHBondContact CB-O 3.28Å; L521-H523 PolarHBondContact O-N 2.88Å; H523-I525 HydrophobicContact CB-CD1 4.46Å; H523-I525 HydrophobicContact CB-CG1 4.3Å; H523-I525 PolarHBondContact CE1-O 2.98Å; H523-I525 VanDerWaalsContact CE1-O 3.31Å; H523-I525 PolarHBondContact ND1-N 3.45Å; H523-I525 PolarHBondContact ND1-O 2.88Å
524	N	88.8	Confident	87.7	Confident	77 Å²	77	42.3 Å²	42.3	41%	0.412	19%	0.191	S	C	.	.			trans	-106.3	30.5	174.6	-58.6	-13.5	0	0	0	111.9	V481	V481-N524 HydrophobicContact CB-CB 4.47Å; V481-N524 WeakPolarHBondContact O-CB 3.37Å; V481-N524 PolarHBondContact O-ND2 3.32Å
525	I	90.4	Very high	87.6	Confident	59 Å²	59	41.3 Å²	41.3	30%	0.303	19%	0.188	S	C	.	.			trans	-97.2	101.2	-179.1	-51.6	172	0	0	0	108.8	Y215 H523 L528 A529	Y215-I525 HydrophobicContact CD1-CG2 4.07Å; Y215-I525 HydrophobicContact CG-CG2 3.87Å; H523-I525 HydrophobicContact CB-CD1 4.46Å; H523-I525 HydrophobicContact CB-CG1 4.3Å; H523-I525 PolarHBondContact CE1-O 2.98Å; H523-I525 VanDerWaalsContact CE1-O 3.31Å; H523-I525 PolarHBondContact ND1-N 3.45Å; H523-I525 PolarHBondContact ND1-O 2.88Å; I525-L528 HydrophobicContact CB-CB 3.95Å; I525-L528 HydrophobicContact CD1-CD2 4.42Å; I525-L528 HydrophobicContact CG2-CB 3.61Å; I525-A529 PolarHBondContact O-N 3.26Å
526	L	91.4	Very high	87.4	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-45.5	-176.8	-177.6	65.5	0	0	0	111.9	H462 I484 L528 A529 F530 Y568	H462-L526 WeakPolarHBondContact NE2-CD2 2.94Å; I484-L526 HydrophobicContact CD1-CB 4.38Å; I484-L526 HydrophobicContact CD1-CD1 4.44Å; L526-L528 VanDerWaalsContact C-N 3.26Å; L526-L528 PolarHBondContact O-N 3.43Å; L526-A529 WeakPolarHBondContact O-CB 3.45Å; L526-A529 PolarHBondContact O-N 3.03Å; L526-F530 HydrophobicContact CD1-CD1 3.89Å; L526-F530 HydrophobicContact CD1-CE1 3.29Å; L526-F530 HydrophobicContact CD1-CZ 3.69Å; L526-F530 HydrophobicContact CD2-CE1 4.47Å; L526-F530 HydrophobicContact CD2-CE2 4.34Å; L526-F530 HydrophobicContact CD2-CZ 4.06Å; L526-F530 HydrophobicContact CG-CD1 4.16Å; L526-F530 HydrophobicContact CG-CE1 3.81Å; L526-F530 HydrophobicContact CG-CE2 4.29Å; L526-F530 HydrophobicContact CG-CZ 3.88Å; L526-F530 WeakPolarHBondContact O-CD1 3.11Å; L526-F530 PolarHBondContact O-N 3.47Å; L526-Y568 HydrophobicContact CD1-CE2 4.21Å; L526-Y568 HydrophobicContact CD2-CE2 4.4Å
527	E	91.5	Very high	87.1	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-35.2	-175.1	-62.9	77.2	-167.1	0	0	111.2	H157 T159 C187 Y215 R479 F530 D531	H157-E527 HydrophobicContact CB-CB 4.27Å; H157-E527 HydrophobicContact CB-CG 4.33Å; T159-E527 WeakPolarHBondContact CB-OE1 3.4Å; T159-E527 PolarHBondContact OG1-OE1 3.1Å; C187-E527 WeakPolarHBondContact CB-OE1 3.34Å; Y215-E527 HydrophobicContact CD1-CB 3.76Å; Y215-E527 HydrophobicContact CE1-CB 3.83Å; R479-E527 IonicContact CZ-OE1 2.68Å; R479-E527 IonicContact NH1-OE1 2.72Å; R479-E527 PolarHBondContact NH1-OE1 3.2Å; R479-E527 IonicContact NH1-OE2 3.68Å; E527-F530 PolarHBondContact O-N 3.37Å; E527-D531 WeakPolarHBondContact O-CB 3.35Å; E527-D531 PolarHBondContact O-N 3.19Å
528	L	90.2	Very high	87.3	Confident	39 Å²	39	32.4 Å²	32.4	20%	0.204	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-43.8	172.9	173.9	60.4	0	0	0	111.2	Y215 I525 L526 F530 D531 Q532	Y215-L528 HydrophobicContact CD1-CB 4.27Å; Y215-L528 HydrophobicContact CD2-CB 4.07Å; Y215-L528 HydrophobicContact CD2-CD1 4.21Å; Y215-L528 HydrophobicContact CE1-CB 4.16Å; Y215-L528 HydrophobicContact CE2-CB 3.97Å; Y215-L528 HydrophobicContact CE2-CD1 3.56Å; Y215-L528 HydrophobicContact CE2-CG 4.29Å; Y215-L528 HydrophobicContact CG-CB 4.22Å; I525-L528 HydrophobicContact CB-CB 3.95Å; I525-L528 HydrophobicContact CD1-CD2 4.42Å; I525-L528 HydrophobicContact CG2-CB 3.61Å; L526-L528 VanDerWaalsContact C-N 3.26Å; L526-L528 PolarHBondContact O-N 3.43Å; L528-F530 VanDerWaalsContact C-N 3.3Å; L528-F530 PolarHBondContact O-N 3.44Å; L528-D531 PolarHBondContact O-N 2.77Å; L528-Q532 HydrophobicContact CD1-CG 4.21Å; L528-Q532 VanDerWaalsContact O-CG 3.3Å; L528-Q532 WeakPolarHBondContact O-CG 3.46Å; L528-Q532 PolarHBondContact O-N 3.45Å
529	A	91.1	Very high	87.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-41.2	178	0	0	0	0	0	111.5	L460 F497 L521 I525 L526 Q532 L533	L460-A529 HydrophobicContact CD1-CB 3.87Å; F497-A529 HydrophobicContact CE1-CB 4.23Å; L521-A529 HydrophobicContact CD1-CB 3.41Å; L521-A529 VanDerWaalsContact CD1-CB 3.41Å; I525-A529 PolarHBondContact O-N 3.26Å; L526-A529 WeakPolarHBondContact O-CB 3.45Å; L526-A529 PolarHBondContact O-N 3.03Å; A529-Q532 PolarHBondContact O-N 3.26Å; A529-L533 WeakPolarHBondContact O-CG 3.28Å; A529-L533 PolarHBondContact O-N 3.48Å
530	F	90.8	Very high	86.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-42.1	178.1	-75	14.6	0	0	0	111.6	H157 I241 V274 L460 L526 E527 L528 L533 A534 Y568 F570	H157-F530 HydrophobicContact CB-CB 4.22Å; H157-F530 HydrophobicContact CB-CD2 4.36Å; H157-F530 AromaticContact CD2-CD2 3.5Å; H157-F530 VanDerWaalsContact CD2-CD2 3.5Å; H157-F530 WeakPolarHBondContact CD2-CD2 3.47Å; H157-F530 AromaticContact CG-CD2 3.89Å; H157-F530 WeakPolarHBondContact ND1-CB 3.32Å; H157-F530 AromaticContact NE2-CD2 3.92Å; I241-F530 HydrophobicContact CD1-CD2 4.43Å; I241-F530 HydrophobicContact CD1-CE2 4.29Å; V274-F530 HydrophobicContact CG1-CD2 4.1Å; V274-F530 HydrophobicContact CG1-CE2 3.85Å; L460-F530 HydrophobicContact CD1-CD1 3.85Å; L460-F530 HydrophobicContact CD1-CE1 3.81Å; L526-F530 HydrophobicContact CD1-CD1 3.89Å; L526-F530 HydrophobicContact CD1-CE1 3.29Å; L526-F530 HydrophobicContact CD1-CZ 3.69Å; L526-F530 HydrophobicContact CD2-CE1 4.47Å; L526-F530 HydrophobicContact CD2-CE2 4.34Å; L526-F530 HydrophobicContact CD2-CZ 4.06Å; L526-F530 HydrophobicContact CG-CD1 4.16Å; L526-F530 HydrophobicContact CG-CE1 3.81Å; L526-F530 HydrophobicContact CG-CE2 4.29Å; L526-F530 HydrophobicContact CG-CZ 3.88Å; L526-F530 WeakPolarHBondContact O-CD1 3.11Å; L526-F530 PolarHBondContact O-N 3.47Å; E527-F530 PolarHBondContact O-N 3.37Å; L528-F530 VanDerWaalsContact C-N 3.3Å; L528-F530 PolarHBondContact O-N 3.44Å; F530-L533 PolarHBondContact O-N 3.14Å; F530-A534 WeakPolarHBondContact O-CB 3.47Å; F530-A534 PolarHBondContact O-N 3.49Å; F530-Y568 HydrophobicContact CE1-CD1 4.46Å; F530-Y568 HydrophobicContact CE1-CD2 4.04Å; F530-Y568 HydrophobicContact CE1-CE2 4.32Å; F530-Y568 HydrophobicContact CE1-CG 4.11Å; F530-Y568 HydrophobicContact CE2-CD1 4.24Å; F530-Y568 HydrophobicContact CE2-CE1 4.09Å; F530-Y568 AromaticContact CZ-CD1 3.55Å; F530-Y568 HydrophobicContact CZ-CD1 3.55Å; F530-Y568 AromaticContact CZ-CD2 3.73Å; F530-Y568 HydrophobicContact CZ-CD2 3.73Å; F530-Y568 AromaticContact CZ-CE1 3.59Å; F530-Y568 HydrophobicContact CZ-CE1 3.59Å; F530-Y568 AromaticContact CZ-CE2 3.76Å; F530-Y568 HydrophobicContact CZ-CE2 3.76Å; F530-Y568 AromaticContact CZ-CG 3.62Å; F530-Y568 HydrophobicContact CZ-CG 3.62Å; F530-Y568 AromaticContact CZ-CZ 3.68Å; F530-F570 HydrophobicContact CD1-CE1 4.45Å; F530-F570 HydrophobicContact CD1-CE2 4.26Å; F530-F570 AromaticContact CD1-CZ 3.55Å; F530-F570 HydrophobicContact CD1-CZ 3.55Å; F530-F570 AromaticContact CE1-CE2 3.94Å; F530-F570 HydrophobicContact CE1-CE2 3.94Å; F530-F570 AromaticContact CE1-CZ 3.53Å; F530-F570 HydrophobicContact CE1-CZ 3.53Å; F530-F570 HydrophobicContact CE2-CZ 4.49Å; F530-F570 HydrophobicContact CG-CZ 4.07Å; F530-F570 HydrophobicContact CZ-CZ 4.02Å
531	D	86.8	Confident	86.3	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-39	175.9	-75.5	-14.4	0	0	0	111.4	G156 H157 Y215 E527 L528 A534 L535	G156-D531 VanDerWaalsContact CA-OD1 3.3Å; G156-D531 WeakPolarHBondContact CA-OD1 3.42Å; H157-D531 IonicContact CE1-OD1 2.74Å; H157-D531 IonicContact CG-OD1 3.75Å; H157-D531 PolarHBondContact N-OD1 2.85Å; H157-D531 VanDerWaalsContact N-OD1 3.09Å; H157-D531 IonicContact ND1-OD1 2.91Å; H157-D531 PolarHBondContact ND1-OD1 3.29Å; Y215-D531 WeakPolarHBondContact CE1-OD2 3.41Å; Y215-D531 VanDerWaalsContact OH-CB 3.25Å; Y215-D531 WeakPolarHBondContact OH-CB 3.27Å; Y215-D531 PolarHBondContact OH-OD2 2.92Å; E527-D531 WeakPolarHBondContact O-CB 3.35Å; E527-D531 PolarHBondContact O-N 3.19Å; L528-D531 PolarHBondContact O-N 2.77Å; D531-A534 PolarHBondContact O-N 3.18Å; D531-L535 WeakPolarHBondContact O-CB 3.47Å; D531-L535 WeakPolarHBondContact O-CD1 3.24Å; D531-L535 WeakPolarHBondContact O-CG 3.26Å; D531-L535 PolarHBondContact O-N 2.78Å
532	Q	86.7	Confident	85.9	Confident	32 Å²	32	37.7 Å²	37.7	15%	0.15	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.3	-73.3	-178.5	-69.9	0	0	112.5	I496 F497 N500 L528 A529 N536	I496-Q532 HydrophobicContact CG2-CB 4.16Å; F497-Q532 HydrophobicContact CD1-CB 4.46Å; F497-Q532 HydrophobicContact CE1-CB 4.32Å; N500-Q532 PolarHBondContact ND2-NE2 2.91Å; L528-Q532 HydrophobicContact CD1-CG 4.21Å; L528-Q532 VanDerWaalsContact O-CG 3.3Å; L528-Q532 WeakPolarHBondContact O-CG 3.46Å; L528-Q532 PolarHBondContact O-N 3.45Å; A529-Q532 PolarHBondContact O-N 3.26Å; Q532-N536 PolarHBondContact O-N 3.17Å; Q532-N536 PolarHBondContact O-ND2 3.23Å
533	L	87.9	Confident	85.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-49.2	175.7	-79.1	161.4	0	0	0	111.3	I458 L460 I496 F497 A529 F530 L535 N536 G537 Y538 F570	I458-L533 HydrophobicContact CB-CD2 4.41Å; I458-L533 HydrophobicContact CD1-CD2 4.08Å; I458-L533 HydrophobicContact CG2-CD2 4.3Å; L460-L533 HydrophobicContact CD1-CD1 3.48Å; L460-L533 VanDerWaalsContact CD1-CD1 3.48Å; L460-L533 HydrophobicContact CG-CD1 4.02Å; I496-L533 HydrophobicContact CD1-CD2 3.95Å; I496-L533 HydrophobicContact CG2-CD2 4.15Å; I496-L533 HydrophobicContact CG2-CG 4.29Å; F497-L533 HydrophobicContact CE1-CG 4.38Å; F497-L533 HydrophobicContact CZ-CD1 4.02Å; F497-L533 HydrophobicContact CZ-CD2 4.13Å; F497-L533 HydrophobicContact CZ-CG 3.87Å; A529-L533 WeakPolarHBondContact O-CG 3.28Å; A529-L533 PolarHBondContact O-N 3.48Å; F530-L533 PolarHBondContact O-N 3.14Å; L533-L535 VanDerWaalsContact C-N 3.32Å; L533-L535 PolarHBondContact O-N 2.69Å; L533-N536 CarbonylContact O-C 3.49Å; L533-N536 WeakPolarHBondContact O-CA 3.21Å; L533-N536 PolarHBondContact O-N 3.43Å; L533-G537 PolarHBondContact O-N 3.24Å; L533-Y538 CarbonylContact C-O 3.52Å; L533-Y538 HydrophobicContact CD2-CD1 4.12Å; L533-Y538 HydrophobicContact CD2-CD2 4.27Å; L533-Y538 HydrophobicContact CD2-CG 3.78Å; L533-Y538 WeakPolarHBondContact O-CB 3.27Å; L533-Y538 PolarHBondContact O-N 3.19Å; L533-F570 HydrophobicContact CB-CD1 4.09Å; L533-F570 HydrophobicContact CB-CE1 4.16Å; L533-F570 HydrophobicContact CD1-CD1 3.8Å; L533-F570 HydrophobicContact CD1-CD2 3.68Å; L533-F570 HydrophobicContact CD1-CE1 3.74Å; L533-F570 HydrophobicContact CD1-CE2 3.63Å; L533-F570 HydrophobicContact CD1-CG 3.78Å; L533-F570 HydrophobicContact CD1-CZ 3.67Å; L533-F570 HydrophobicContact CD2-CB 4.48Å; L533-F570 HydrophobicContact CD2-CG 4.45Å; L533-F570 HydrophobicContact CG-CD1 4.4Å
534	A	80.8	Confident	85.5	Confident	25 Å²	25	35.6 Å²	35.6	21%	0.207	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-41.1	-179.9	0	0	0	0	0	112.5	F276 F530 D531 N536 G537 Y538	F276-A534 HydrophobicContact CE2-CB 4.16Å; F276-A534 HydrophobicContact CZ-CB 4.26Å; F530-A534 WeakPolarHBondContact O-CB 3.47Å; F530-A534 PolarHBondContact O-N 3.49Å; D531-A534 PolarHBondContact O-N 3.18Å; A534-N536 PolarHBondContact O-N 3.2Å; A534-G537 PolarHBondContact O-N 2.89Å; A534-G537 VanDerWaalsContact O-N 3.08Å; A534-Y538 WeakPolarHBondContact CA-O 3.47Å
535	L	77.9	Confident	85.2	Confident	53 Å²	53	34.8 Å²	34.8	28%	0.277	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-27.7	175.7	-73.2	166.5	0	0	0	112.8	I133 D531 L533 G537	I133-L535 HydrophobicContact CD1-CD1 4.19Å; I133-L535 HydrophobicContact CG2-CD1 3.96Å; D531-L535 WeakPolarHBondContact O-CB 3.47Å; D531-L535 WeakPolarHBondContact O-CD1 3.24Å; D531-L535 WeakPolarHBondContact O-CG 3.26Å; D531-L535 PolarHBondContact O-N 2.78Å; L533-L535 VanDerWaalsContact C-N 3.32Å; L533-L535 PolarHBondContact O-N 2.69Å; L535-G537 VanDerWaalsContact C-N 3.32Å
536	N	80.7	Confident	84.5	Confident	42 Å²	42	34.9 Å²	34.9	23%	0.225	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	9.4	176.6	-76.3	-78.5	0	0	0	113.6	I496 Q532 L533 A534 Y538 K572	I496-N536 HydrophobicContact CG1-CB 3.92Å; Q532-N536 PolarHBondContact O-N 3.17Å; Q532-N536 PolarHBondContact O-ND2 3.23Å; L533-N536 CarbonylContact O-C 3.49Å; L533-N536 WeakPolarHBondContact O-CA 3.21Å; L533-N536 PolarHBondContact O-N 3.43Å; A534-N536 PolarHBondContact O-N 3.2Å; N536-Y538 VanDerWaalsContact C-N 3.31Å; N536-Y538 HydrophobicContact CB-CD2 4.04Å; N536-Y538 HydrophobicContact CB-CE2 4.46Å; N536-K572 WeakPolarHBondContact O-CD 3.36Å; N536-K572 VanDerWaalsContact O-CE 3.28Å; N536-K572 WeakPolarHBondContact O-CE 3.43Å; N536-K572 PolarHBondContact O-NZ 2.89Å
537	G	76.6	Confident	83.5	Confident	31 Å²	31	37.6 Å²	37.6	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	6	178.8	0	0	0	0	0	114.6	L533 A534 L535	L533-G537 PolarHBondContact O-N 3.24Å; A534-G537 PolarHBondContact O-N 2.89Å; A534-G537 VanDerWaalsContact O-N 3.08Å; L535-G537 VanDerWaalsContact C-N 3.32Å
538	Y	84.5	Confident	82	Confident	5 Å²	5	40 Å²	40	2%	0.02	24%	0.243	C	C	.	.			trans	-81.5	139.2	174.4	-76.7	-101.1	0	0	0	110.8	N456 I458 N492 I496 L533 A534 N536 F570 G571 K572	N456-Y538 WeakPolarHBondContact O-CE1 3.44Å; I458-Y538 HydrophobicContact CB-CE1 4.41Å; I458-Y538 HydrophobicContact CD1-CD1 4.27Å; I458-Y538 HydrophobicContact CD1-CE1 3.7Å; I458-Y538 HydrophobicContact CG1-CD1 4.45Å; I458-Y538 HydrophobicContact CG1-CE1 3.86Å; N492-Y538 PolarHBondContact ND2-OH 3.03Å; I496-Y538 HydrophobicContact CD1-CD2 3.63Å; I496-Y538 HydrophobicContact CD1-CE1 4.34Å; I496-Y538 HydrophobicContact CD1-CE2 3.25Å; I496-Y538 HydrophobicContact CD1-CG 4.33Å; I496-Y538 HydrophobicContact CG1-CD2 4.4Å; I496-Y538 HydrophobicContact CG1-CE2 4.09Å; L533-Y538 CarbonylContact C-O 3.52Å; L533-Y538 HydrophobicContact CD2-CD1 4.12Å; L533-Y538 HydrophobicContact CD2-CD2 4.27Å; L533-Y538 HydrophobicContact CD2-CG 3.78Å; L533-Y538 WeakPolarHBondContact O-CB 3.27Å; L533-Y538 PolarHBondContact O-N 3.19Å; A534-Y538 WeakPolarHBondContact CA-O 3.47Å; N536-Y538 VanDerWaalsContact C-N 3.31Å; N536-Y538 HydrophobicContact CB-CD2 4.04Å; N536-Y538 HydrophobicContact CB-CE2 4.46Å; Y538-F570 HydrophobicContact CD1-CB 4.17Å; Y538-G571 WeakPolarHBondContact CA-O 3.45Å; Y538-K572 HydrophobicContact CD1-CB 3.96Å; Y538-K572 HydrophobicContact CD2-CB 4.11Å; Y538-K572 HydrophobicContact CD2-CD 3.92Å; Y538-K572 HydrophobicContact CE1-CB 3.97Å; Y538-K572 HydrophobicContact CE2-CB 4.09Å; Y538-K572 HydrophobicContact CE2-CD 3.56Å; Y538-K572 HydrophobicContact CE2-CG 4.47Å; Y538-K572 HydrophobicContact CG-CB 4.04Å
539	R	78.8	Confident	80.3	Confident	56 Å²	56	48.8 Å²	48.8	21%	0.211	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152	-176.4	-35.7	-131.1	-143.7	167.7	-9.5	110.1	E278 W440 I541 F570 G571	E278-R539 IonicContact OE1-CZ 2.96Å; E278-R539 IonicContact OE1-NH1 2.74Å; E278-R539 PolarHBondContact OE1-NH1 3.45Å; E278-R539 IonicContact OE1-NH2 2.75Å; E278-R539 IonicContact OE2-NH1 2.92Å; E278-R539 PolarHBondContact OE2-NH1 2.97Å; W440-R539 VanDerWaalsContact CD2-CZ 3.48Å; W440-R539 HydrophobicContact CE3-CB 4.5Å; W440-R539 HydrophobicContact CE3-CG 3.96Å; W440-R539 HydrophobicContact CH2-CB 3.07Å; W440-R539 HydrophobicContact CH2-CG 3.05Å; W440-R539 HydrophobicContact CZ2-CB 4.13Å; W440-R539 HydrophobicContact CZ2-CG 3.78Å; W440-R539 HydrophobicContact CZ3-CB 3.27Å; W440-R539 VanDerWaalsContact CZ3-CD 3.4Å; W440-R539 HydrophobicContact CZ3-CG 3.09Å; W440-R539 VanDerWaalsContact NE1-NH1 3.11Å; R539-I541 PolarHBondContact O-N 2.97Å; R539-F570 CarbonylContact O-C 3.51Å; R539-F570 WeakPolarHBondContact O-CA 3.45Å; R539-G571 PolarHBondContact N-O 3.32Å; R539-G571 PolarHBondContact O-N 2.92Å
540	V	83.1	Confident	78.4	Confident	43 Å²	43	52.8 Å²	52.8	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.3	-177.4	179.5	0	0	0	0	109.4	I241 I543 F570	I241-V540 HydrophobicContact CD1-CG2 4.17Å; V540-I543 HydrophobicContact CG1-CD1 3.73Å; V540-I543 HydrophobicContact CG1-CG1 3.48Å; V540-I543 VanDerWaalsContact CG1-CG1 3.48Å; V540-F570 HydrophobicContact CB-CE1 4.4Å; V540-F570 HydrophobicContact CG2-CD1 3.81Å; V540-F570 HydrophobicContact CG2-CE1 3.24Å; V540-F570 HydrophobicContact CG2-CE2 4.34Å; V540-F570 HydrophobicContact CG2-CZ 3.54Å
541	I	84.4	Confident	75.9	Confident	92 Å²	92	61.4 Å²	61.4	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-42.6	176.9	-64.2	179.6	0	0	0	110.3	Y457 R539 V569 G571	Y457-I541 HydrophobicContact CD1-CD1 4.07Å; Y457-I541 HydrophobicContact CE1-CD1 3.6Å; R539-I541 PolarHBondContact O-N 2.97Å; I541-V569 PolarHBondContact N-O 2.88Å; I541-G571 VanDerWaalsContact CD1-CA 3.41Å
542	S	82.9	Confident	73.7	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.3	-176.5	-174.2	0	0	0	0	110.9	V569	S542-V569 PolarHBondContact N-O 3.3Å; S542-V569 PolarHBondContact O-N 2.9Å
543	I	85.9	Confident	71.6	Confident	45 Å²	45	70.5 Å²	70.5	23%	0.231	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.1	178.7	-49.2	-176.7	0	0	0	107.5	I241 A242 V540 M566 E567 Y568	I241-I543 WeakPolarHBondContact O-CD1 3.46Å; A242-I543 HydrophobicContact CB-CD1 3.25Å; A242-I543 HydrophobicContact CB-CG2 4.31Å; V540-I543 HydrophobicContact CG1-CD1 3.73Å; V540-I543 HydrophobicContact CG1-CG1 3.48Å; V540-I543 VanDerWaalsContact CG1-CG1 3.48Å; I543-M566 HydrophobicContact CG2-CE 4.02Å; I543-E567 WeakPolarHBondContact CA-O 3.25Å; I543-Y568 HydrophobicContact CB-CD1 4.36Å; I543-Y568 HydrophobicContact CD1-CD1 3.85Å; I543-Y568 HydrophobicContact CD1-CE1 4.07Å; I543-Y568 HydrophobicContact CG1-CD1 3.89Å; I543-Y568 HydrophobicContact CG1-CE1 4.47Å; I543-Y568 HydrophobicContact CG2-CD1 3.72Å; I543-Y568 HydrophobicContact CG2-CE1 3.76Å
544	C	84.7	Confident	69.3	Low	67 Å²	67	78.2 Å²	78.2	45%	0.453	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.4	167.4	71.2	0	0	0	0	110.1	M566 E567	C544-M566 WeakPolarHBondContact O-CA 3.3Å; C544-E567 PolarHBondContact N-O 2.96Å; C544-E567 PolarHBondContact O-N 3.43Å
545	S	81.4	Confident	67.3	Low	60 Å²	60	84.7 Å²	84.7	42%	0.42	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.9	172.8	67.6	0	0	0	0	110.9	C244 Y565	C244-S545 WeakPolarHBondContact SG-CB 3.39Å; C244-S545 PolarHBondContact SG-OG 2.9Å; C244-S545 VanDerWaalsContact SG-OG 3.34Å; S545-Y565 CarbonylContact C-O 3.53Å; S545-Y565 WeakPolarHBondContact CA-O 3.46Å; S545-Y565 WeakPolarHBondContact CB-O 3.19Å
546	S	76.9	Confident	65.5	Low	62 Å²	62	92.1 Å²	92.1	43%	0.434	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.1	174.7	68	0	0	0	0	110.3	Y565	S546-Y565 PolarHBondContact N-O 3.45Å; S546-Y565 PolarHBondContact O-N 3.41Å
547	V	68.9	Low	63.9	Low	57 Å²	57	92.6 Å²	92.6	35%	0.345	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-92.3	137	167.2	-90.4	0	0	0	0	108.7	A247 W549	A247-V547 HydrophobicContact CB-CG1 4.39Å; V547-W549 PolarHBondContact O-N 3.15Å
548	P	60.7	Low	62.6	Low	59 Å²	59	100 Å²	100	38%	0.383	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-55.3	126.4	174.7	-18.1	27.7	0	0	0	109.6	S563	P548-S563 WeakPolarHBondContact CD-O 3.43Å
549	W	53.8	Low	60.9	Low	222 Å²	222	105.9 Å²	105.9	84%	0.841	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-68.2	126.2	168.5	-86.1	63.7	0	0	0	108.2	V547 F551	V547-W549 PolarHBondContact O-N 3.15Å; W549-F551 PolarHBondContact O-N 3.35Å
550	P	51.7	Low	59.6	Low	85 Å²	85	109.7 Å²	109.7	55%	0.552	55%	0.553	S	S	*	*			trans	-69.4	107.8	175.3	6.9	0.1	0	0	0	109	Y252	Y252-P550 HydrophobicContact CE2-CB 3.96Å; Y252-P550 HydrophobicContact CE2-CG 4.07Å; Y252-P550 WeakPolarHBondContact OH-CB 3.43Å
551	F	39.1	Very low	58.3	Low	180 Å²	180	110.5 Å²	110.5	79%	0.789	56%	0.556	S	S	*	*			trans	-99.7	114.6	162.1	-104.3	-89.7	0	0	0	108.2	W549	W549-F551 PolarHBondContact O-N 3.35Å
552	L	39.8	Very low	57.2	Low	136 Å²	136	107.4 Å²	107.4	71%	0.712	54%	0.538	S	S	*	.			trans	105.2	129.8	161.4	-59	163.4	0	0	0	117
553	P	42.8	Very low	56.6	Low	97 Å²	97	105 Å²	105	63%	0.63	52%	0.521	S	S	*	.	S	Bend	trans	-77.3	152.1	166.4	34.5	-30.7	0	0	0	109.8
554	E	39.4	Very low	56.2	Low	162 Å²	162	102.8 Å²	102.8	76%	0.757	51%	0.51	S	S	*	.	S	Bend	trans	78.4	102.2	167.3	-58.4	172	-172.4	0	0	116.1
555	H	39.1	Very low	56.1	Low	161 Å²	161	103 Å²	103	75%	0.745	50%	0.502	S	S	*	.	S	Bend	trans	117.9	-4.1	148	-64.5	-64.2	0	0	0	122.4
556	Y	40.9	Very low	56.5	Low	209 Å²	209	100.1 Å²	100.1	82%	0.82	48%	0.482	S	S	*	.			trans	-144.4	42.4	176.1	-90.3	-84.7	0	0	0	115.3
557	V	47	Very low	57.1	Low	52 Å²	52	99.8 Å²	99.8	32%	0.315	47%	0.473	S	S	.	.			trans	-83.5	-26.8	-165.7	-173.7	0	0	0	0	114.6	Y252 E559	Y252-V557 HydrophobicContact CD1-CG1 4.16Å; Y252-V557 HydrophobicContact CE1-CG1 4.48Å; Y252-V557 HydrophobicContact CE1-CG2 4.43Å; Y252-V557 HydrophobicContact CG-CG1 4.4Å; V557-E559 PolarHBondContact O-N 3.33Å
558	E	49.2	Very low	58.3	Low	185 Å²	185	97 Å²	97	86%	0.864	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.3	-169.6	-73.4	-173.3	174	0	0	115.8
559	E	49.4	Very low	59.7	Low	130 Å²	130	96.3 Å²	96.3	61%	0.607	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-17.3	-173.3	-129.9	-171.6	162.6	0	0	114.4	K480 V557	K480-E559 IonicContact NZ-OE1 2.82Å; K480-E559 PolarHBondContact NZ-OE1 2.79Å; V557-E559 PolarHBondContact O-N 3.33Å
560	Y	51.3	Low	61.5	Low	136 Å²	136	85.9 Å²	85.9	53%	0.533	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-17.2	-170.8	-75.8	-81.2	0	0	0	115.2	M463 W562 S563	M463-Y560 HydrophobicContact CE-CE1 4.48Å; Y560-W562 PolarHBondContact O-N 3.4Å; Y560-S563 PolarHBondContact O-N 3.27Å; Y560-S563 VanDerWaalsContact O-N 3.11Å; Y560-S563 PolarHBondContact O-OG 2.74Å
561	D	55.5	Low	63.2	Low	59 Å²	59	82 Å²	82	32%	0.316	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-10.6	-171.3	-87.4	-14.7	0	0	0	115.9
562	W	61.8	Low	65.2	Low	27 Å²	27	76.4 Å²	76.4	10%	0.102	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	15.8	-171.2	-48.8	102.7	0	0	0	113.7	S249 N268 G465 F466 Y560	S249-W562 WeakPolarHBondContact OG-CH2 3.36Å; S249-W562 WeakPolarHBondContact OG-CZ2 3.42Å; S249-W562 WeakPolarHBondContact OG-CZ3 3.46Å; N268-W562 HydrophobicContact CB-CH2 3.12Å; N268-W562 HydrophobicContact CB-CZ2 4.05Å; N268-W562 HydrophobicContact CB-CZ3 3.59Å; N268-W562 WeakPolarHBondContact O-CZ3 3.28Å; G465-W562 WeakPolarHBondContact CA-O 3.5Å; F466-W562 HydrophobicContact CD1-CB 3.6Å; F466-W562 AromaticContact CD1-CG 3.97Å; F466-W562 HydrophobicContact CD1-CG 3.97Å; F466-W562 HydrophobicContact CE1-CB 3.13Å; F466-W562 AromaticContact CE1-CD1 3.64Å; F466-W562 AromaticContact CE1-CD2 3.4Å; F466-W562 HydrophobicContact CE1-CD2 3.4Å; F466-W562 AromaticContact CE1-CE3 3.92Å; F466-W562 HydrophobicContact CE1-CE3 3.92Å; F466-W562 AromaticContact CE1-CG 3.02Å; F466-W562 HydrophobicContact CE1-CG 3.02Å; F466-W562 HydrophobicContact CE2-CB 4.45Å; F466-W562 AromaticContact CE2-CD1 3.67Å; F466-W562 AromaticContact CE2-CG 3.95Å; F466-W562 HydrophobicContact CE2-CG 3.95Å; F466-W562 HydrophobicContact CG-CB 4.45Å; F466-W562 HydrophobicContact CZ-CB 3.59Å; F466-W562 AromaticContact CZ-CD1 3.06Å; F466-W562 AromaticContact CZ-CD2 3.34Å; F466-W562 HydrophobicContact CZ-CD2 3.34Å; F466-W562 AromaticContact CZ-CE2 3.59Å; F466-W562 HydrophobicContact CZ-CE3 4.22Å; F466-W562 AromaticContact CZ-CG 2.97Å; F466-W562 HydrophobicContact CZ-CG 2.97Å; F466-W562 AromaticContact CZ-NE1 3.41Å; Y560-W562 PolarHBondContact O-N 3.4Å
563	S	70.3	Confident	66.5	Low	13 Å²	13	74.2 Å²	74.2	9%	0.091	36%	0.364	C	S	.	.			trans	-91.5	141.2	-175	-39.5	0	0	0	0	109.7	A464 P548 Y560	A464-S563 CarbonylContact O-C 3.54Å; A464-S563 VanDerWaalsContact O-CA 3.26Å; A464-S563 WeakPolarHBondContact O-CA 3.46Å; P548-S563 WeakPolarHBondContact CD-O 3.43Å; Y560-S563 PolarHBondContact O-N 3.27Å; Y560-S563 VanDerWaalsContact O-N 3.11Å; Y560-S563 PolarHBondContact O-OG 2.74Å
564	H	75.9	Confident	67.6	Low	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.6	165	57.5	-112.4	0	0	0	109.5	C244 Y270 E272 M463 A464	C244-H564 VanDerWaalsContact SG-CD2 3.55Å; C244-H564 VanDerWaalsContact SG-CG 3.54Å; Y270-H564 AromaticContact CD1-CE1 3.33Å; Y270-H564 WeakPolarHBondContact CD1-CE1 3.35Å; Y270-H564 AromaticContact CD1-ND1 3.52Å; Y270-H564 AromaticContact CE1-CE1 3.24Å; Y270-H564 WeakPolarHBondContact CE1-CE1 3.39Å; Y270-H564 AromaticContact CE1-ND1 3.9Å; E272-H564 IonicContact OE2-NE2 3.87Å; E272-H564 PolarHBondContact OE2-NE2 3.38Å; M463-H564 CarbonylContact C-O 3.5Å; M463-H564 WeakPolarHBondContact CA-O 3.2Å; A464-H564 PolarHBondContact N-O 3.28Å; A464-H564 PolarHBondContact O-N 3.5Å
565	Y	84.2	Confident	69.1	Low	70 Å²	70	68.4 Å²	68.4	28%	0.275	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.9	171.7	178.5	-100.7	0	0	0	108.7	H462 M463 S545 S546 E567	H462-Y565 WeakPolarHBondContact O-CA 3.27Å; H462-Y565 WeakPolarHBondContact O-CD2 2.82Å; M463-Y565 HydrophobicContact CG-CD2 4.05Å; S545-Y565 CarbonylContact C-O 3.53Å; S545-Y565 WeakPolarHBondContact CA-O 3.46Å; S545-Y565 WeakPolarHBondContact CB-O 3.19Å; S546-Y565 PolarHBondContact N-O 3.45Å; S546-Y565 PolarHBondContact O-N 3.41Å; Y565-E567 HydrophobicContact CE1-CB 3.84Å
566	M	88.4	Confident	70.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.4	169.9	-58	-167.2	76	0	0	109.3	A242 C244 G461 H462 I543 C544 Y568	A242-M566 HydrophobicContact CB-CE 4.23Å; C244-M566 HydrophobicContact CB-CE 3.42Å; C244-M566 VanDerWaalsContact CB-CE 3.42Å; C244-M566 HydrophobicContact CB-CG 4.09Å; C244-M566 HydrophobicContact CB-SD 3.46Å; C244-M566 WeakPolarHBondContact CB-SD 3.35Å; G461-M566 WeakPolarHBondContact CA-O 3.02Å; H462-M566 PolarHBondContact N-O 3.32Å; H462-M566 PolarHBondContact O-N 2.82Å; I543-M566 HydrophobicContact CG2-CE 4.02Å; C544-M566 WeakPolarHBondContact O-CA 3.3Å; M566-Y568 HydrophobicContact CB-CE2 3.71Å; M566-Y568 HydrophobicContact CE-CE1 4.23Å; M566-Y568 PolarHBondContact SD-OH 3.25Å
567	E	90.7	Very high	72.5	Confident	55 Å²	55	54.6 Å²	54.6	26%	0.257	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.5	169.2	-169.3	171	-165.1	0	0	109.8	T459 L460 I543 C544 Y565	T459-E567 PolarHBondContact OG1-OE1 3.15Å; L460-E567 CarbonylContact O-C 3.59Å; L460-E567 VanDerWaalsContact O-CA 3.28Å; L460-E567 WeakPolarHBondContact O-CA 3.14Å; I543-E567 WeakPolarHBondContact CA-O 3.25Å; C544-E567 PolarHBondContact N-O 2.96Å; C544-E567 PolarHBondContact O-N 3.43Å; Y565-E567 HydrophobicContact CE1-CB 3.84Å
568	Y	92.7	Very high	74.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.3	-175.6	-54.1	-90.6	0	0	0	108	A242 T459 L460 H462 L526 F530 I543 M566 F570	A242-Y568 HydrophobicContact CB-CE1 3.91Å; T459-Y568 CarbonylContact C-O 3.5Å; T459-Y568 WeakPolarHBondContact CA-O 3.44Å; L460-Y568 HydrophobicContact CB-CD2 4.41Å; L460-Y568 PolarHBondContact N-O 3.29Å; L460-Y568 PolarHBondContact O-N 2.97Å; H462-Y568 AromaticContact CD2-CE2 3.84Å; H462-Y568 AromaticContact NE2-CE2 3.58Å; L526-Y568 HydrophobicContact CD1-CE2 4.21Å; L526-Y568 HydrophobicContact CD2-CE2 4.4Å; F530-Y568 HydrophobicContact CE1-CD1 4.46Å; F530-Y568 HydrophobicContact CE1-CD2 4.04Å; F530-Y568 HydrophobicContact CE1-CE2 4.32Å; F530-Y568 HydrophobicContact CE1-CG 4.11Å; F530-Y568 HydrophobicContact CE2-CD1 4.24Å; F530-Y568 HydrophobicContact CE2-CE1 4.09Å; F530-Y568 AromaticContact CZ-CD1 3.55Å; F530-Y568 HydrophobicContact CZ-CD1 3.55Å; F530-Y568 AromaticContact CZ-CD2 3.73Å; F530-Y568 HydrophobicContact CZ-CD2 3.73Å; F530-Y568 AromaticContact CZ-CE1 3.59Å; F530-Y568 HydrophobicContact CZ-CE1 3.59Å; F530-Y568 AromaticContact CZ-CE2 3.76Å; F530-Y568 HydrophobicContact CZ-CE2 3.76Å; F530-Y568 AromaticContact CZ-CG 3.62Å; F530-Y568 HydrophobicContact CZ-CG 3.62Å; F530-Y568 AromaticContact CZ-CZ 3.68Å; I543-Y568 HydrophobicContact CB-CD1 4.36Å; I543-Y568 HydrophobicContact CD1-CD1 3.85Å; I543-Y568 HydrophobicContact CD1-CE1 4.07Å; I543-Y568 HydrophobicContact CG1-CD1 3.89Å; I543-Y568 HydrophobicContact CG1-CE1 4.47Å; I543-Y568 HydrophobicContact CG2-CD1 3.72Å; I543-Y568 HydrophobicContact CG2-CE1 3.76Å; M566-Y568 HydrophobicContact CB-CE2 3.71Å; M566-Y568 HydrophobicContact CE-CE1 4.23Å; M566-Y568 PolarHBondContact SD-OH 3.25Å; Y568-F570 VanDerWaalsContact CB-CE2 3.49Å; Y568-F570 HydrophobicContact CG-CE2 4.44Å
569	V	91.7	Very high	75.8	Confident	43 Å²	43	46.1 Å²	46.1	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.1	173.4	-176.3	0	0	0	0	107.9	Y457 T459 I541 S542	Y457-V569 HydrophobicContact CD1-CG1 4.28Å; T459-V569 HydrophobicContact CG2-CB 4.5Å; T459-V569 HydrophobicContact CG2-CG1 4.41Å; T459-V569 HydrophobicContact CG2-CG2 4.03Å; I541-V569 PolarHBondContact N-O 2.88Å; S542-V569 PolarHBondContact N-O 3.3Å; S542-V569 PolarHBondContact O-N 2.9Å
570	F	91.4	Very high	77.7	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.6	173.2	-65.3	-101.5	0	0	0	109.9	Y457 I458 L460 F530 L533 Y538 R539 V540 Y568	Y457-F570 VanDerWaalsContact CA-O 3.32Å; Y457-F570 WeakPolarHBondContact CA-O 3.42Å; I458-F570 PolarHBondContact N-O 3.1Å; I458-F570 WeakPolarHBondContact O-CB 3.28Å; I458-F570 PolarHBondContact O-N 3.22Å; L460-F570 HydrophobicContact CB-CE2 4.27Å; L460-F570 HydrophobicContact CD1-CE2 3.83Å; L460-F570 HydrophobicContact CD1-CZ 4.33Å; L460-F570 HydrophobicContact CG-CD2 4.35Å; L460-F570 HydrophobicContact CG-CE2 3.95Å; F530-F570 HydrophobicContact CD1-CE1 4.45Å; F530-F570 HydrophobicContact CD1-CE2 4.26Å; F530-F570 AromaticContact CD1-CZ 3.55Å; F530-F570 HydrophobicContact CD1-CZ 3.55Å; F530-F570 AromaticContact CE1-CE2 3.94Å; F530-F570 HydrophobicContact CE1-CE2 3.94Å; F530-F570 AromaticContact CE1-CZ 3.53Å; F530-F570 HydrophobicContact CE1-CZ 3.53Å; F530-F570 HydrophobicContact CE2-CZ 4.49Å; F530-F570 HydrophobicContact CG-CZ 4.07Å; F530-F570 HydrophobicContact CZ-CZ 4.02Å; L533-F570 HydrophobicContact CB-CD1 4.09Å; L533-F570 HydrophobicContact CB-CE1 4.16Å; L533-F570 HydrophobicContact CD1-CD1 3.8Å; L533-F570 HydrophobicContact CD1-CD2 3.68Å; L533-F570 HydrophobicContact CD1-CE1 3.74Å; L533-F570 HydrophobicContact CD1-CE2 3.63Å; L533-F570 HydrophobicContact CD1-CG 3.78Å; L533-F570 HydrophobicContact CD1-CZ 3.67Å; L533-F570 HydrophobicContact CD2-CB 4.48Å; L533-F570 HydrophobicContact CD2-CG 4.45Å; L533-F570 HydrophobicContact CG-CD1 4.4Å; Y538-F570 HydrophobicContact CD1-CB 4.17Å; R539-F570 CarbonylContact O-C 3.51Å; R539-F570 WeakPolarHBondContact O-CA 3.45Å; V540-F570 HydrophobicContact CB-CE1 4.4Å; V540-F570 HydrophobicContact CG2-CD1 3.81Å; V540-F570 HydrophobicContact CG2-CE1 3.24Å; V540-F570 HydrophobicContact CG2-CE2 4.34Å; V540-F570 HydrophobicContact CG2-CZ 3.54Å; Y568-F570 VanDerWaalsContact CB-CE2 3.49Å; Y568-F570 HydrophobicContact CG-CE2 4.44Å
571	G	86.5	Confident	79.7	Confident	4 Å²	4	32.8 Å²	32.8	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.6	166	0	0	0	0	0	112.3	N456 Y538 R539 I541	N456-G571 WeakPolarHBondContact O-CA 3.15Å; Y538-G571 WeakPolarHBondContact CA-O 3.45Å; R539-G571 PolarHBondContact N-O 3.32Å; R539-G571 PolarHBondContact O-N 2.92Å; I541-G571 VanDerWaalsContact CD1-CA 3.41Å
572	K	82	Confident	81.7	Confident	62 Å²	62	30.6 Å²	30.6	27%	0.27	17%	0.171	S	C	.	.			trans	-127.6	129.6	-179.7	176.3	176.5	177.9	170	0	108.2	N456 N536 Y538	N456-K572 HydrophobicContact CB-CB 4.05Å; N456-K572 PolarHBondContact O-N 3.36Å; N536-K572 WeakPolarHBondContact O-CD 3.36Å; N536-K572 VanDerWaalsContact O-CE 3.28Å; N536-K572 WeakPolarHBondContact O-CE 3.43Å; N536-K572 PolarHBondContact O-NZ 2.89Å; Y538-K572 HydrophobicContact CD1-CB 3.96Å; Y538-K572 HydrophobicContact CD2-CB 4.11Å; Y538-K572 HydrophobicContact CD2-CD 3.92Å; Y538-K572 HydrophobicContact CE1-CB 3.97Å; Y538-K572 HydrophobicContact CE2-CB 4.09Å; Y538-K572 HydrophobicContact CE2-CD 3.56Å; Y538-K572 HydrophobicContact CE2-CG 4.47Å; Y538-K572 HydrophobicContact CG-CB 4.04Å
573	A	65.4	Low	83.6	Confident	90 Å²	90	30.9 Å²	30.9	74%	0.744	18%	0.177	S	C	*	.			trans	-65.8	0	173.9	0	0	0	0	0	111.6

Retrieved 573 of 573 residues in 659.8 ms (Link to these results)

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