A0A3Q0KMM8_SCHMA Loading...

WW domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 556 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	58	Low	74.8	Confident	147 Å²	147	74.9 Å²	74.9	72%	0.724	44%	0.441	S	S	*	.				0	138.3	0	-68.3	-174.4	-166.6	0	0	108.5	V9 I10 L11 E12	M1-V9 HydrophobicContact CB-CG1 4.12Å; M1-V9 HydrophobicContact CG-CG1 4.42Å; M1-V9 HydrophobicContact SD-CG1 4.25Å; M1-I10 CarbonylContact C-O 3.49Å; M1-I10 VanDerWaalsContact CA-O 3.23Å; M1-I10 WeakPolarHBondContact CA-O 3.37Å; M1-L11 HydrophobicContact CE-CD2 3.97Å; M1-L11 HydrophobicContact CG-CD2 4.02Å; M1-L11 HydrophobicContact SD-CD2 3.95Å; M1-E12 PolarHBondContact N-OE1 2.98Å
2	T	71.7	Confident	75.4	Confident	92 Å²	92	79.3 Å²	79.3	56%	0.564	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.9	174.9	-49.3	0	0	0	0	108.3	I10	T2-I10 PolarHBondContact N-O 3.23Å; T2-I10 PolarHBondContact O-N 2.99Å
3	V	67.9	Low	75.6	Confident	108 Å²	108	77.6 Å²	77.6	66%	0.655	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.1	-179.6	-176.5	0	0	0	0	108.9	V9	V3-V9 HydrophobicContact CG1-CG2 4.46Å; V3-V9 HydrophobicContact CG2-CG2 4.25Å
4	C	68.1	Low	75.1	Confident	42 Å²	42	83.1 Å²	83.1	28%	0.284	46%	0.456	S	S	.	.			trans	-83.6	153.4	172.1	-62.1	0	0	0	0	110.3	N6 G7 Q8	C4-N6 WeakPolarHBondContact CB-OD1 3.18Å; C4-N6 PolarHBondContact O-N 3.08Å; C4-N6 VanDerWaalsContact O-N 3.09Å; C4-G7 PolarHBondContact O-N 3.24Å; C4-G7 VanDerWaalsContact O-N 3.1Å; C4-Q8 HydrophobicContact CB-CB 4.29Å; C4-Q8 VanDerWaalsContact CB-O 3.3Å; C4-Q8 WeakPolarHBondContact CB-O 3.19Å; C4-Q8 PolarHBondContact N-O 2.82Å
5	T	62.7	Low	74.2	Confident	161 Å²	161	87.8 Å²	87.8	99%	0.988	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.6	-176.1	50.3	0	0	0	0	114.5	G7	T5-G7 VanDerWaalsContact C-N 3.35Å
6	N	71.1	Confident	73	Confident	87 Å²	87	90.9 Å²	90.9	47%	0.465	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	13.4	178.4	63	-10.1	0	0	0	113.8	C4 Q8	C4-N6 WeakPolarHBondContact CB-OD1 3.18Å; C4-N6 PolarHBondContact O-N 3.08Å; C4-N6 VanDerWaalsContact O-N 3.09Å; N6-Q8 PolarHBondContact ND2-OE1 3Å; N6-Q8 PolarHBondContact O-N 3.48Å; N6-Q8 WeakPolarHBondContact OD1-CB 2.94Å; N6-Q8 PolarHBondContact OD1-N 3.34Å
7	G	78.3	Confident	72	Confident	40 Å²	40	100.4 Å²	100.4	41%	0.412	51%	0.505	S	S	.	.	S	Bend	trans	78.3	1.8	-178.3	0	0	0	0	0	114.6	C4 T5	C4-G7 PolarHBondContact O-N 3.24Å; C4-G7 VanDerWaalsContact O-N 3.1Å; T5-G7 VanDerWaalsContact C-N 3.35Å
8	Q	83.3	Confident	71.3	Confident	65 Å²	65	97.9 Å²	97.9	30%	0.304	50%	0.498	S	S	.	.			trans	-79	145.5	171.4	-63.3	178	-16.6	0	0	110.3	C4 N6 M62 Y69	C4-Q8 HydrophobicContact CB-CB 4.29Å; C4-Q8 VanDerWaalsContact CB-O 3.3Å; C4-Q8 WeakPolarHBondContact CB-O 3.19Å; C4-Q8 PolarHBondContact N-O 2.82Å; N6-Q8 PolarHBondContact ND2-OE1 3Å; N6-Q8 PolarHBondContact O-N 3.48Å; N6-Q8 WeakPolarHBondContact OD1-CB 2.94Å; N6-Q8 PolarHBondContact OD1-N 3.34Å; Q8-M62 WeakPolarHBondContact CA-O 3.12Å; Q8-Y69 PolarHBondContact OE1-OH 3.27Å
9	V	86.5	Confident	71.2	Confident	30 Å²	30	105.2 Å²	105.2	18%	0.182	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.8	-179.3	-175.9	0	0	0	0	110	M1 V3 L11 C61 M62	M1-V9 HydrophobicContact CB-CG1 4.12Å; M1-V9 HydrophobicContact CG-CG1 4.42Å; M1-V9 HydrophobicContact SD-CG1 4.25Å; V3-V9 HydrophobicContact CG1-CG2 4.46Å; V3-V9 HydrophobicContact CG2-CG2 4.25Å; V9-L11 HydrophobicContact CG1-CD2 4.12Å; V9-L11 PolarHBondContact O-N 3.41Å; V9-C61 CarbonylContact O-C 3.51Å; V9-C61 VanDerWaalsContact O-CA 3.3Å; V9-C61 WeakPolarHBondContact O-CA 3.28Å; V9-M62 HydrophobicContact CB-CB 4.35Å; V9-M62 PolarHBondContact N-O 3.2Å; V9-M62 PolarHBondContact O-N 3.43Å
10	I	88.2	Confident	71.7	Confident	29 Å²	29	102.1 Å²	102.1	15%	0.149	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.3	172.2	-53	172.2	0	0	0	108	M1 T2 K59 F73	M1-I10 CarbonylContact C-O 3.49Å; M1-I10 VanDerWaalsContact CA-O 3.23Å; M1-I10 WeakPolarHBondContact CA-O 3.37Å; T2-I10 PolarHBondContact N-O 3.23Å; T2-I10 PolarHBondContact O-N 2.99Å; I10-K59 HydrophobicContact CG2-CB 4.24Å; I10-K59 HydrophobicContact CG2-CD 3.82Å; I10-F73 HydrophobicContact CD1-CE1 3.63Å; I10-F73 HydrophobicContact CD1-CZ 3.56Å; I10-F73 HydrophobicContact CG1-CE1 4.42Å; I10-F73 HydrophobicContact CG1-CZ 3.89Å; I10-F73 HydrophobicContact CG2-CE2 4.37Å; I10-F73 HydrophobicContact CG2-CZ 3.99Å
11	L	87	Confident	72.5	Confident	23 Å²	23	100.3 Å²	100.3	12%	0.12	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-89.3	154.2	178.5	-56.2	176.9	0	0	0	110.2	M1 V9 P60 M62 I68	M1-L11 HydrophobicContact CE-CD2 3.97Å; M1-L11 HydrophobicContact CG-CD2 4.02Å; M1-L11 HydrophobicContact SD-CD2 3.95Å; V9-L11 HydrophobicContact CG1-CD2 4.12Å; V9-L11 PolarHBondContact O-N 3.41Å; L11-P60 WeakPolarHBondContact CA-O 3.39Å; L11-P60 HydrophobicContact CB-CB 4.18Å; L11-P60 HydrophobicContact CB-CG 3.96Å; L11-P60 WeakPolarHBondContact CB-O 3.35Å; L11-P60 HydrophobicContact CD1-CB 4.4Å; L11-P60 PolarHBondContact N-O 3.12Å; L11-M62 HydrophobicContact CD1-CB 4.37Å; L11-M62 HydrophobicContact CD1-CE 4.18Å; L11-I68 HydrophobicContact CD1-CD1 4.42Å; L11-I68 HydrophobicContact CD1-CG1 4.36Å
12	E	82.2	Confident	73.9	Confident	127 Å²	127	101.6 Å²	101.6	59%	0.593	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-94.8	137.9	170.6	-77	163.3	-134.7	0	0	109.3	M1 K14	M1-E12 PolarHBondContact N-OE1 2.98Å; E12-K14 PolarHBondContact O-N 3.03Å
13	E	77.9	Confident	74.8	Confident	58 Å²	58	101.3 Å²	101.3	27%	0.271	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-66	120.3	173.2	-171.2	178	-175.9	0	0	109.4	Y15 P53 L54	E13-Y15 HydrophobicContact CB-CE2 4.4Å; E13-Y15 VanDerWaalsContact CD-OH 3.26Å; E13-Y15 HydrophobicContact CG-CD1 4.39Å; E13-Y15 HydrophobicContact CG-CE1 3.86Å; E13-Y15 HydrophobicContact CG-CE2 4.39Å; E13-Y15 VanDerWaalsContact OE1-CE1 3.26Å; E13-Y15 WeakPolarHBondContact OE1-CE1 3.33Å; E13-Y15 PolarHBondContact OE2-OH 2.84Å; E13-P53 VanDerWaalsContact OE1-CA 3.27Å; E13-P53 WeakPolarHBondContact OE1-CA 3.4Å; E13-L54 HydrophobicContact CG-CD1 4.46Å; E13-L54 PolarHBondContact OE1-N 3.42Å
14	K	68.1	Low	75.8	Confident	155 Å²	155	100.3 Å²	100.3	67%	0.674	49%	0.486	S	S	*	.			trans	-91	104	177.5	-69.4	-171.8	177.9	-173.9	0	110.3	E12 E16	E12-K14 PolarHBondContact O-N 3.03Å; K14-E16 PolarHBondContact O-N 3.48Å; K14-E16 VanDerWaalsContact O-N 3.12Å
15	Y	62.4	Low	76.9	Confident	153 Å²	153	98.7 Å²	98.7	60%	0.6	48%	0.475	S	S	*	.			trans	-82.9	41.1	172	-54.3	-74.8	0	0	0	112.8	E13 P53	E13-Y15 HydrophobicContact CB-CE2 4.4Å; E13-Y15 VanDerWaalsContact CD-OH 3.26Å; E13-Y15 HydrophobicContact CG-CD1 4.39Å; E13-Y15 HydrophobicContact CG-CE1 3.86Å; E13-Y15 HydrophobicContact CG-CE2 4.39Å; E13-Y15 VanDerWaalsContact OE1-CE1 3.26Å; E13-Y15 WeakPolarHBondContact OE1-CE1 3.33Å; E13-Y15 PolarHBondContact OE2-OH 2.84Å; Y15-P53 HydrophobicContact CE1-CB 3.93Å
16	E	54.9	Low	78.4	Confident	137 Å²	137	95 Å²	95	64%	0.64	45%	0.448	S	S	*	.			trans	-59	155.1	170.2	-71.3	177.6	-157.1	0	0	108.2	K14 C18	K14-E16 PolarHBondContact O-N 3.48Å; K14-E16 VanDerWaalsContact O-N 3.12Å; E16-C18 PolarHBondContact O-N 3.38Å; E16-C18 PolarHBondContact O-SG 3.47Å
17	R	56.1	Low	79.3	Confident	253 Å²	253	94.1 Å²	94.1	96%	0.955	45%	0.449	S	S	*	.			trans	-67.2	67.7	175.3	-78.3	178.8	-95.8	168.8	-6.5	108.6	R19	R17-R19 PolarHBondContact O-N 3.12Å
18	C	58.9	Low	80.1	Confident	56 Å²	56	93.6 Å²	93.6	38%	0.378	44%	0.435	S	S	.	.			trans	-63.1	104.6	-165.5	-72	0	0	0	0	108	E16 F20	E16-C18 PolarHBondContact O-N 3.38Å; E16-C18 PolarHBondContact O-SG 3.47Å; C18-F20 HydrophobicContact CB-CE1 3.89Å; C18-F20 HydrophobicContact CB-CE2 4.06Å; C18-F20 HydrophobicContact CB-CZ 3.64Å; C18-F20 PolarHBondContact O-N 2.81Å
19	R	70.4	Confident	80.5	Confident	235 Å²	235	90.5 Å²	90.5	89%	0.887	42%	0.42	S	S	*	.			trans	-83.3	97.3	169.6	-172.2	178.2	-175.8	159.3	1.1	106.3	R17	R17-R19 PolarHBondContact O-N 3.12Å
20	F	81.2	Confident	80.9	Confident	43 Å²	43	97.7 Å²	97.7	19%	0.189	44%	0.444	C	S	.	.			trans	-68.6	137.6	177.3	-57.4	-72.2	0	0	0	111	C18 E24 I25 Y47 I50 K51	C18-F20 HydrophobicContact CB-CE1 3.89Å; C18-F20 HydrophobicContact CB-CE2 4.06Å; C18-F20 HydrophobicContact CB-CZ 3.64Å; C18-F20 PolarHBondContact O-N 2.81Å; F20-E24 VanDerWaalsContact CA-OE2 3.3Å; F20-E24 WeakPolarHBondContact CA-OE2 3.41Å; F20-I25 HydrophobicContact CB-CD1 4.12Å; F20-I25 HydrophobicContact CB-CG1 3.84Å; F20-Y47 HydrophobicContact CD2-CE2 4.32Å; F20-I50 HydrophobicContact CB-CD1 4.18Å; F20-I50 HydrophobicContact CD1-CD1 3.63Å; F20-I50 HydrophobicContact CD1-CG1 3.84Å; F20-I50 HydrophobicContact CD2-CD1 4.46Å; F20-I50 HydrophobicContact CD2-CG1 4.42Å; F20-I50 HydrophobicContact CD2-CG2 3.7Å; F20-I50 HydrophobicContact CE1-CD1 4.1Å; F20-I50 HydrophobicContact CE1-CG1 3.77Å; F20-I50 HydrophobicContact CE2-CG1 4.36Å; F20-I50 HydrophobicContact CE2-CG2 3.78Å; F20-I50 HydrophobicContact CG-CD1 3.83Å; F20-I50 HydrophobicContact CG-CG1 4.17Å; F20-I50 HydrophobicContact CG-CG2 4.14Å; F20-I50 HydrophobicContact CZ-CG1 4.04Å; F20-I50 HydrophobicContact CZ-CG2 4.27Å; F20-I50 VanDerWaalsContact CZ-O 3.26Å; F20-I50 WeakPolarHBondContact CZ-O 3.42Å; F20-K51 HydrophobicContact CE2-CB 4.04Å; F20-K51 HydrophobicContact CE2-CG 4.3Å
21	T	86.7	Confident	81.1	Confident	66 Å²	66	101.8 Å²	101.8	41%	0.405	46%	0.458	S	S	.	.			trans	-74.1	154.6	176.7	66.1	0	0	0	0	110.4	P23 E24 I25	T21-P23 VanDerWaalsContact C-CD 3.48Å; T21-P23 VanDerWaalsContact C-N 3.31Å; T21-E24 PolarHBondContact N-OE2 3.42Å; T21-E24 PolarHBondContact O-N 3.4Å; T21-E24 VanDerWaalsContact OG1-CG 3.3Å; T21-E24 WeakPolarHBondContact OG1-CG 3.31Å; T21-E24 PolarHBondContact OG1-N 3.3Å; T21-E24 PolarHBondContact OG1-OE1 3.06Å; T21-I25 WeakPolarHBondContact O-CG1 3.41Å; T21-I25 PolarHBondContact O-N 3.01Å; T21-I25 VanDerWaalsContact O-N 3.14Å
22	K	88.4	Confident	81.4	Confident	174 Å²	174	101.1 Å²	101.1	76%	0.757	45%	0.454	S	S	*	.	H	α-helix	trans	-55	-42	176.8	-68.5	-179.4	-179.7	177.2	0	112.4	I25 I26	K22-I25 PolarHBondContact O-N 3.01Å; K22-I26 WeakPolarHBondContact O-CD1 3.21Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.42Å; K22-I26 PolarHBondContact O-N 3.08Å
23	P	91.3	Very high	81.9	Confident	86 Å²	86	97.2 Å²	97.2	56%	0.558	45%	0.448	S	S	*	.	H	α-helix	trans	-60.9	-42.5	175.2	-25.5	36.5	0	0	0	113.8	T21 I25 I26 S27	T21-P23 VanDerWaalsContact C-CD 3.48Å; T21-P23 VanDerWaalsContact C-N 3.31Å; P23-I25 VanDerWaalsContact C-N 3.35Å; P23-I25 PolarHBondContact O-N 2.72Å; P23-I26 PolarHBondContact O-N 3.43Å; P23-S27 PolarHBondContact O-N 2.59Å; P23-S27 PolarHBondContact O-OG 3.3Å
24	E	89	Confident	82.6	Confident	86 Å²	86	94.8 Å²	94.8	40%	0.402	44%	0.437	S	S	.	.	H	α-helix	trans	-58.8	-46.4	176.6	-76.5	155.1	-144.1	0	0	111.6	F20 T21 I26 S27 Y28 I50	F20-E24 VanDerWaalsContact CA-OE2 3.3Å; F20-E24 WeakPolarHBondContact CA-OE2 3.41Å; T21-E24 PolarHBondContact N-OE2 3.42Å; T21-E24 PolarHBondContact O-N 3.4Å; T21-E24 VanDerWaalsContact OG1-CG 3.3Å; T21-E24 WeakPolarHBondContact OG1-CG 3.31Å; T21-E24 PolarHBondContact OG1-N 3.3Å; T21-E24 PolarHBondContact OG1-OE1 3.06Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 2.9Å; E24-S27 PolarHBondContact O-N 3.21Å; E24-Y28 PolarHBondContact O-N 3.19Å; E24-I50 HydrophobicContact CB-CD1 4.3Å
25	I	91.3	Very high	83.8	Confident	8 Å²	8	90.5 Å²	90.5	4%	0.041	42%	0.422	C	S	.	.	H	α-helix	trans	-62.2	-39.3	178.2	-61	169.3	0	0	0	110.7	F20 T21 K22 P23 A29 L36 Y43 V46 Y47	F20-I25 HydrophobicContact CB-CD1 4.12Å; F20-I25 HydrophobicContact CB-CG1 3.84Å; T21-I25 WeakPolarHBondContact O-CG1 3.41Å; T21-I25 PolarHBondContact O-N 3.01Å; T21-I25 VanDerWaalsContact O-N 3.14Å; K22-I25 PolarHBondContact O-N 3.01Å; P23-I25 VanDerWaalsContact C-N 3.35Å; P23-I25 PolarHBondContact O-N 2.72Å; I25-A29 VanDerWaalsContact O-CB 3.31Å; I25-A29 WeakPolarHBondContact O-CB 3.24Å; I25-A29 PolarHBondContact O-N 2.93Å; I25-L36 HydrophobicContact CG2-CD1 4.17Å; I25-Y43 HydrophobicContact CG2-CD2 4.41Å; I25-Y43 HydrophobicContact CG2-CE2 3.77Å; I25-V46 HydrophobicContact CG2-CG1 3.76Å; I25-V46 WeakPolarHBondContact O-CG1 3.37Å; I25-Y47 HydrophobicContact CD1-CD2 4.2Å; I25-Y47 HydrophobicContact CD1-CE2 4.44Å
26	I	92.2	Very high	85.1	Confident	84 Å²	84	85 Å²	85	43%	0.431	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-41.1	176.8	-68	164.1	0	0	0	111.3	K22 P23 E24 A29 R30 L36	K22-I26 WeakPolarHBondContact O-CD1 3.21Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.42Å; K22-I26 PolarHBondContact O-N 3.08Å; P23-I26 PolarHBondContact O-N 3.43Å; E24-I26 VanDerWaalsContact C-N 3.29Å; E24-I26 PolarHBondContact O-N 2.9Å; I26-A29 PolarHBondContact O-N 3.03Å; I26-R30 PolarHBondContact O-N 3.25Å; I26-L36 HydrophobicContact CG1-CD1 4.22Å
27	S	91.7	Very high	86.8	Confident	68 Å²	68	87.9 Å²	87.9	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-45	176.6	-67.4	0	0	0	0	111.4	P23 E24 R30 W31	P23-S27 PolarHBondContact O-N 2.59Å; P23-S27 PolarHBondContact O-OG 3.3Å; E24-S27 PolarHBondContact O-N 3.21Å; S27-R30 WeakPolarHBondContact O-CB 3.02Å; S27-R30 PolarHBondContact O-N 3.41Å; S27-W31 PolarHBondContact O-N 3.05Å
28	Y	93.4	Very high	88.5	Confident	29 Å²	29	85.6 Å²	85.6	11%	0.114	40%	0.404	C	S	.	.	H	α-helix	trans	-66.8	-37.6	175.8	-171.4	-111.9	0	0	0	112.3	E24 R30 W31 L32 V46 G49 I50 D85	E24-Y28 PolarHBondContact O-N 3.19Å; Y28-R30 VanDerWaalsContact C-N 3.32Å; Y28-R30 PolarHBondContact O-N 3.41Å; Y28-W31 AromaticContact CE2-CD1 3.96Å; Y28-W31 WeakPolarHBondContact O-CB 3.32Å; Y28-W31 PolarHBondContact O-N 3.47Å; Y28-W31 VanDerWaalsContact O-N 3.16Å; Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CD1-CG 4.41Å; Y28-L32 HydrophobicContact CE1-CD1 3.51Å; Y28-L32 HydrophobicContact CE1-CD2 4.46Å; Y28-L32 HydrophobicContact CE1-CG 3.98Å; Y28-L32 PolarHBondContact O-N 3.35Å; Y28-V46 HydrophobicContact CD1-CG1 3.77Å; Y28-V46 WeakPolarHBondContact CD1-O 3.45Å; Y28-V46 WeakPolarHBondContact CE1-O 3.27Å; Y28-G49 VanDerWaalsContact CE1-C 3.48Å; Y28-I50 HydrophobicContact CD1-CB 3.77Å; Y28-I50 HydrophobicContact CD1-CG1 4.48Å; Y28-I50 HydrophobicContact CE1-CB 4.13Å; Y28-I50 VanDerWaalsContact CE1-N 3.26Å; Y28-I50 HydrophobicContact CG-CB 4.17Å; Y28-I50 HydrophobicContact CG-CD1 4.49Å; Y28-I50 HydrophobicContact CG-CG1 4.4Å; Y28-D85 WeakPolarHBondContact CE2-OD1 3.22Å; Y28-D85 PolarHBondContact OH-OD1 2.87Å
29	A	93.8	Very high	90.1	Very high	1 Å²	1	84.7 Å²	84.7	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-44.7	172.3	0	0	0	0	0	111.6	I25 I26 W31 L32 G33 I34 L36 V46	I25-A29 VanDerWaalsContact O-CB 3.31Å; I25-A29 WeakPolarHBondContact O-CB 3.24Å; I25-A29 PolarHBondContact O-N 2.93Å; I26-A29 PolarHBondContact O-N 3.03Å; A29-W31 VanDerWaalsContact C-N 3.28Å; A29-W31 PolarHBondContact O-N 3.09Å; A29-L32 CarbonylContact O-C 3.58Å; A29-L32 PolarHBondContact O-N 3.45Å; A29-G33 PolarHBondContact O-N 2.8Å; A29-G33 VanDerWaalsContact O-N 3.14Å; A29-I34 CarbonylContact C-O 3.6Å; A29-I34 HydrophobicContact CB-CB 4.29Å; A29-I34 WeakPolarHBondContact O-CA 3.42Å; A29-I34 PolarHBondContact O-N 2.97Å; A29-L36 HydrophobicContact CB-CD1 3.71Å; A29-L36 HydrophobicContact CB-CD2 4.28Å; A29-L36 HydrophobicContact CB-CG 3.65Å; A29-V46 HydrophobicContact CB-CG1 3.87Å; A29-V46 HydrophobicContact CB-CG2 3.83Å
30	R	93.2	Very high	91.1	Very high	181 Å²	181	77.1 Å²	77.1	68%	0.683	38%	0.376	S	S	*	.	H	α-helix	trans	-60.7	-39.9	175.7	-172.4	-176.1	-65.2	136.9	-0.9	111.3	I26 S27 Y28 G33	I26-R30 PolarHBondContact O-N 3.25Å; S27-R30 WeakPolarHBondContact O-CB 3.02Å; S27-R30 PolarHBondContact O-N 3.41Å; Y28-R30 VanDerWaalsContact C-N 3.32Å; Y28-R30 PolarHBondContact O-N 3.41Å; R30-G33 WeakPolarHBondContact O-CA 3Å; R30-G33 PolarHBondContact O-N 3.44Å
31	W	93.1	Very high	91.6	Very high	114 Å²	114	78.2 Å²	78.2	43%	0.432	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.7	177	-109.1	0	0	0	113.4	S27 Y28 A29 G33 D81 D85 K89	S27-W31 PolarHBondContact O-N 3.05Å; Y28-W31 AromaticContact CE2-CD1 3.96Å; Y28-W31 WeakPolarHBondContact O-CB 3.32Å; Y28-W31 PolarHBondContact O-N 3.47Å; Y28-W31 VanDerWaalsContact O-N 3.16Å; A29-W31 VanDerWaalsContact C-N 3.28Å; A29-W31 PolarHBondContact O-N 3.09Å; W31-G33 PolarHBondContact O-N 2.76Å; W31-D81 VanDerWaalsContact CH2-OD1 3.31Å; W31-D81 WeakPolarHBondContact CH2-OD1 3.42Å; W31-D81 HydrophobicContact CZ2-CB 4.15Å; W31-D81 WeakPolarHBondContact CZ2-OD1 3.22Å; W31-D81 WeakPolarHBondContact CZ2-OD2 3.36Å; W31-D85 PolarHBondContact NE1-OD2 2.93Å; W31-K89 WeakPolarHBondContact O-CE 3.48Å
32	L	92.7	Very high	92	Very high	9 Å²	9	75 Å²	75	5%	0.047	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-3.6	172	-64.6	-177.6	0	0	0	113.5	Y28 A29 I34 V46 K89	Y28-L32 HydrophobicContact CD1-CD1 4.06Å; Y28-L32 HydrophobicContact CD1-CG 4.41Å; Y28-L32 HydrophobicContact CE1-CD1 3.51Å; Y28-L32 HydrophobicContact CE1-CD2 4.46Å; Y28-L32 HydrophobicContact CE1-CG 3.98Å; Y28-L32 PolarHBondContact O-N 3.35Å; A29-L32 CarbonylContact O-C 3.58Å; A29-L32 PolarHBondContact O-N 3.45Å; L32-I34 HydrophobicContact CB-CD1 3.83Å; L32-I34 HydrophobicContact CB-CG1 4.12Å; L32-I34 HydrophobicContact CD1-CD1 4.03Å; L32-V46 HydrophobicContact CD1-CG2 4.44Å; L32-K89 HydrophobicContact CD2-CG 3.83Å
33	G	92.9	Very high	92.2	Very high	45 Å²	45	71.5 Å²	71.5	46%	0.464	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	24.1	-176.6	0	0	0	0	0	113.8	A29 R30 W31 R96	A29-G33 PolarHBondContact O-N 2.8Å; A29-G33 VanDerWaalsContact O-N 3.14Å; R30-G33 WeakPolarHBondContact O-CA 3Å; R30-G33 PolarHBondContact O-N 3.44Å; W31-G33 PolarHBondContact O-N 2.76Å; G33-R96 PolarHBondContact O-NH2 3.28Å
34	I	93.3	Very high	92.3	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.036	34%	0.343	C	S	.	.			trans	-99.7	130.8	179.5	-60.1	163.5	0	0	0	109.7	A29 L32 L36 L42 V46 V92	A29-I34 CarbonylContact C-O 3.6Å; A29-I34 HydrophobicContact CB-CB 4.29Å; A29-I34 WeakPolarHBondContact O-CA 3.42Å; A29-I34 PolarHBondContact O-N 2.97Å; L32-I34 HydrophobicContact CB-CD1 3.83Å; L32-I34 HydrophobicContact CB-CG1 4.12Å; L32-I34 HydrophobicContact CD1-CD1 4.03Å; I34-L36 HydrophobicContact CG2-CD2 4.15Å; I34-L42 HydrophobicContact CD1-CB 4.15Å; I34-L42 HydrophobicContact CD1-CD1 4.47Å; I34-L42 HydrophobicContact CG1-CB 4.44Å; I34-L42 HydrophobicContact CG1-CD1 4.02Å; I34-L42 HydrophobicContact CG2-CB 3.82Å; I34-L42 HydrophobicContact CG2-CD1 4.03Å; I34-V46 HydrophobicContact CB-CG2 4.44Å; I34-V46 HydrophobicContact CD1-CG2 3.36Å; I34-V46 HydrophobicContact CG2-CG2 4.39Å; I34-V92 HydrophobicContact CD1-CG2 3.53Å; I34-V92 HydrophobicContact CG1-CG1 4Å; I34-V92 HydrophobicContact CG1-CG2 3.84Å
35	N	92.3	Very high	92.4	Very high	66 Å²	66	68.6 Å²	68.6	35%	0.353	33%	0.331	S	S	.	.			trans	-99	99.3	167.5	-174.1	-27.8	0	0	0	109.9	K37 R38 E39	N35-K37 PolarHBondContact O-N 3.22Å; N35-K37 WeakPolarHBondContact OD1-CB 3.29Å; N35-K37 PolarHBondContact OD1-N 3.4Å; N35-R38 HydrophobicContact CB-CB 4.19Å; N35-R38 HydrophobicContact CB-CG 4.39Å; N35-R38 PolarHBondContact O-N 2.84Å; N35-R38 PolarHBondContact OD1-N 3.29Å; N35-E39 PolarHBondContact O-N 2.75Å
36	L	90	Very high	92.5	Very high	36 Å²	36	68.2 Å²	68.2	19%	0.188	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.3	-178.2	-70.6	175.7	0	0	0	114.8	I25 I26 A29 I34 P40 Y43 V46	I25-L36 HydrophobicContact CG2-CD1 4.17Å; I26-L36 HydrophobicContact CG1-CD1 4.22Å; A29-L36 HydrophobicContact CB-CD1 3.71Å; A29-L36 HydrophobicContact CB-CD2 4.28Å; A29-L36 HydrophobicContact CB-CG 3.65Å; I34-L36 HydrophobicContact CG2-CD2 4.15Å; L36-P40 WeakPolarHBondContact O-CA 3.24Å; L36-Y43 HydrophobicContact CD1-CD2 4.18Å; L36-Y43 HydrophobicContact CD2-CD2 3.89Å; L36-Y43 HydrophobicContact CD2-CG 4.43Å; L36-V46 HydrophobicContact CD2-CG2 4.1Å
37	K	90.9	Very high	92.5	Very high	199 Å²	199	68.5 Å²	68.5	87%	0.865	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.9	173.6	-63.2	-175.5	177.8	-177.3	0	112.3	N35	N35-K37 PolarHBondContact O-N 3.22Å; N35-K37 WeakPolarHBondContact OD1-CB 3.29Å; N35-K37 PolarHBondContact OD1-N 3.4Å
38	R	92.3	Very high	92.5	Very high	205 Å²	205	69.9 Å²	69.9	77%	0.774	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-32.2	-177.8	-64.8	-176.9	178.6	179.6	-0.6	112.7	N35 P40	N35-R38 HydrophobicContact CB-CB 4.19Å; N35-R38 HydrophobicContact CB-CG 4.39Å; N35-R38 PolarHBondContact O-N 2.84Å; N35-R38 PolarHBondContact OD1-N 3.29Å; R38-P40 WeakPolarHBondContact O-CD 3.45Å
39	E	91.8	Very high	92.3	Very high	37 Å²	37	68.7 Å²	68.7	17%	0.173	32%	0.321	C	S	.	.			trans	-126.8	61	-176.6	-61.8	173.5	-89.5	0	0	110.2	N35 E41 L42 R96	N35-E39 PolarHBondContact O-N 2.75Å; E39-E41 PolarHBondContact O-N 3.45Å; E39-L42 HydrophobicContact CB-CD1 3.82Å; E39-L42 HydrophobicContact CB-CG 4.21Å; E39-L42 HydrophobicContact CG-CD1 4.33Å; E39-L42 PolarHBondContact O-N 3.26Å; E39-L42 VanDerWaalsContact O-N 3.15Å; E39-L42 VanDerWaalsContact OE2-CD1 3.27Å; E39-L42 WeakPolarHBondContact OE2-CD1 3.35Å; E39-R96 IonicContact OE1-CZ 2.72Å; E39-R96 IonicContact OE1-NE 3.97Å; E39-R96 IonicContact OE1-NH2 2.76Å; E39-R96 PolarHBondContact OE1-NH2 2.81Å; E39-R96 IonicContact OE2-CZ 3.26Å; E39-R96 IonicContact OE2-NE 3.28Å; E39-R96 PolarHBondContact OE2-NE 2.66Å; E39-R96 IonicContact OE2-NH2 2.78Å; E39-R96 PolarHBondContact OE2-NH2 3.28Å
40	P	91.7	Very high	92.1	Very high	76 Å²	76	70.4 Å²	70.4	49%	0.494	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25.4	-179.3	27	-36.1	0	0	0	113	L36 R38 L42 Y43	L36-P40 WeakPolarHBondContact O-CA 3.24Å; R38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-L42 PolarHBondContact O-N 3.16Å; P40-Y43 WeakPolarHBondContact O-CB 3.38Å; P40-Y43 PolarHBondContact O-N 3.26Å; P40-Y43 VanDerWaalsContact O-N 3.1Å
41	E	92.4	Very high	91.9	Very high	65 Å²	65	68.5 Å²	68.5	30%	0.304	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-63.2	-19.8	176.3	62.4	-85.7	-165	0	0	114.3	E39 Y43 P44 Y95 K99	E39-E41 PolarHBondContact O-N 3.45Å; E41-Y43 VanDerWaalsContact C-N 3.33Å; E41-P44 VanDerWaalsContact O-CD 3.29Å; E41-P44 WeakPolarHBondContact O-CD 3.07Å; E41-Y95 HydrophobicContact CG-CE1 3.64Å; E41-Y95 VanDerWaalsContact CG-OH 3.27Å; E41-Y95 WeakPolarHBondContact CG-OH 3.36Å; E41-K99 IonicContact OE1-NZ 2.66Å; E41-K99 PolarHBondContact OE1-NZ 2.93Å
42	L	93.6	Very high	91.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-86.1	-4.6	176.6	-66.3	177.1	0	0	0	113	I34 E39 P40 P44 L45 V46 V92 Y95	I34-L42 HydrophobicContact CD1-CB 4.15Å; I34-L42 HydrophobicContact CD1-CD1 4.47Å; I34-L42 HydrophobicContact CG1-CB 4.44Å; I34-L42 HydrophobicContact CG1-CD1 4.02Å; I34-L42 HydrophobicContact CG2-CB 3.82Å; I34-L42 HydrophobicContact CG2-CD1 4.03Å; E39-L42 HydrophobicContact CB-CD1 3.82Å; E39-L42 HydrophobicContact CB-CG 4.21Å; E39-L42 HydrophobicContact CG-CD1 4.33Å; E39-L42 PolarHBondContact O-N 3.26Å; E39-L42 VanDerWaalsContact O-N 3.15Å; E39-L42 VanDerWaalsContact OE2-CD1 3.27Å; E39-L42 WeakPolarHBondContact OE2-CD1 3.35Å; P40-L42 PolarHBondContact O-N 3.16Å; L42-P44 VanDerWaalsContact C-CD 3.41Å; L42-P44 VanDerWaalsContact C-N 3.33Å; L42-L45 HydrophobicContact CD2-CD1 3.83Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-L45 VanDerWaalsContact O-N 3.07Å; L42-V46 PolarHBondContact O-N 3.46Å; L42-V92 HydrophobicContact CD1-CG1 4.15Å; L42-Y95 HydrophobicContact CD2-CD1 3.43Å; L42-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L42-Y95 HydrophobicContact CD2-CD2 4.07Å; L42-Y95 HydrophobicContact CD2-CE1 3.95Å; L42-Y95 HydrophobicContact CD2-CG 3.5Å; L42-Y95 HydrophobicContact CG-CD1 4.24Å; L42-Y95 HydrophobicContact CG-CE1 4.46Å
43	Y	93.3	Very high	91.6	Very high	99 Å²	99	65.3 Å²	65.3	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-51.3	-42.7	177.8	-178.2	-88	0	0	0	113.9	I25 L36 P40 E41 L45 V46 Y47	I25-Y43 HydrophobicContact CG2-CD2 4.41Å; I25-Y43 HydrophobicContact CG2-CE2 3.77Å; L36-Y43 HydrophobicContact CD1-CD2 4.18Å; L36-Y43 HydrophobicContact CD2-CD2 3.89Å; L36-Y43 HydrophobicContact CD2-CG 4.43Å; P40-Y43 WeakPolarHBondContact O-CB 3.38Å; P40-Y43 PolarHBondContact O-N 3.26Å; P40-Y43 VanDerWaalsContact O-N 3.1Å; E41-Y43 VanDerWaalsContact C-N 3.33Å; Y43-L45 VanDerWaalsContact C-N 3.3Å; Y43-L45 PolarHBondContact O-N 2.92Å; Y43-V46 WeakPolarHBondContact O-CB 3.47Å; Y43-V46 PolarHBondContact O-N 3.48Å; Y43-Y47 PolarHBondContact O-N 3.13Å
44	P	93	Very high	91.5	Very high	81 Å²	81	64 Å²	64	53%	0.526	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-38.3	177.5	-24.8	36.3	0	0	0	113.4	E41 L42 Y47 E48	E41-P44 VanDerWaalsContact O-CD 3.29Å; E41-P44 WeakPolarHBondContact O-CD 3.07Å; L42-P44 VanDerWaalsContact C-CD 3.41Å; L42-P44 VanDerWaalsContact C-N 3.33Å; P44-Y47 PolarHBondContact O-N 3.04Å; P44-E48 WeakPolarHBondContact O-CB 3.07Å; P44-E48 PolarHBondContact O-N 3.37Å
45	L	92.1	Very high	91.4	Very high	30 Å²	30	65.5 Å²	65.5	16%	0.157	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-38	178.1	-65	179.7	0	0	0	111.8	L42 Y43 G49 M91 V92	L42-L45 HydrophobicContact CD2-CD1 3.83Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-L45 VanDerWaalsContact O-N 3.07Å; Y43-L45 VanDerWaalsContact C-N 3.3Å; Y43-L45 PolarHBondContact O-N 2.92Å; L45-G49 PolarHBondContact O-N 3.33Å; L45-M91 HydrophobicContact CD1-CB 4.26Å; L45-M91 HydrophobicContact CD2-CE 3.76Å; L45-M91 HydrophobicContact CD2-SD 4.08Å; L45-V92 HydrophobicContact CD1-CG2 4.4Å
46	V	93.3	Very high	91.2	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-48	173.8	-179.5	0	0	0	0	110.2	I25 Y28 A29 L32 I34 L36 L42 Y43 E48 G49 I50	I25-V46 HydrophobicContact CG2-CG1 3.76Å; I25-V46 WeakPolarHBondContact O-CG1 3.37Å; Y28-V46 HydrophobicContact CD1-CG1 3.77Å; Y28-V46 WeakPolarHBondContact CD1-O 3.45Å; Y28-V46 WeakPolarHBondContact CE1-O 3.27Å; A29-V46 HydrophobicContact CB-CG1 3.87Å; A29-V46 HydrophobicContact CB-CG2 3.83Å; L32-V46 HydrophobicContact CD1-CG2 4.44Å; I34-V46 HydrophobicContact CB-CG2 4.44Å; I34-V46 HydrophobicContact CD1-CG2 3.36Å; I34-V46 HydrophobicContact CG2-CG2 4.39Å; L36-V46 HydrophobicContact CD2-CG2 4.1Å; L42-V46 PolarHBondContact O-N 3.46Å; Y43-V46 WeakPolarHBondContact O-CB 3.47Å; Y43-V46 PolarHBondContact O-N 3.48Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-G49 PolarHBondContact O-N 3.4Å; V46-I50 WeakPolarHBondContact O-CG2 3.26Å; V46-I50 PolarHBondContact O-N 2.89Å
47	Y	91	Very high	91.1	Very high	90 Å²	90	64.8 Å²	64.8	35%	0.353	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-34.9	-177.2	-169.4	-96.7	0	0	0	112.5	F20 I25 Y43 P44 I50 K51	F20-Y47 HydrophobicContact CD2-CE2 4.32Å; I25-Y47 HydrophobicContact CD1-CD2 4.2Å; I25-Y47 HydrophobicContact CD1-CE2 4.44Å; Y43-Y47 PolarHBondContact O-N 3.13Å; P44-Y47 PolarHBondContact O-N 3.04Å; Y47-I50 WeakPolarHBondContact O-CG2 3.46Å; Y47-K51 HydrophobicContact CE1-CD 4.45Å; Y47-K51 WeakPolarHBondContact O-CB 3.39Å; Y47-K51 PolarHBondContact O-N 2.85Å
48	E	91.5	Very high	91.3	Very high	98 Å²	98	57.2 Å²	57.2	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-43.4	173.1	-165.9	-177.5	173.9	0	0	111.2	P44 V46 K51 A52 Y88	P44-E48 WeakPolarHBondContact O-CB 3.07Å; P44-E48 PolarHBondContact O-N 3.37Å; V46-E48 VanDerWaalsContact C-N 3.34Å; E48-K51 CarbonylContact O-C 3.55Å; E48-K51 PolarHBondContact O-N 3.43Å; E48-A52 PolarHBondContact O-N 3.3Å; E48-Y88 HydrophobicContact CB-CE1 4.01Å; E48-Y88 HydrophobicContact CG-CE1 4.02Å; E48-Y88 PolarHBondContact O-OH 2.99Å
49	G	90.5	Very high	91.2	Very high	3 Å²	3	52.4 Å²	52.4	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-43.5	-179.9	0	0	0	0	0	114.4	Y28 L45 V46 K51 A52	Y28-G49 VanDerWaalsContact CE1-C 3.48Å; L45-G49 PolarHBondContact O-N 3.33Å; V46-G49 PolarHBondContact O-N 3.4Å; G49-K51 PolarHBondContact O-N 2.87Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 2.68Å; G49-A52 VanDerWaalsContact O-N 3.1Å
50	I	89.2	Confident	91.3	Very high	37 Å²	37	51.4 Å²	51.4	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-25.4	177.6	-162.4	170.6	0	0	0	112.4	F20 E24 Y28 V46 Y47	F20-I50 HydrophobicContact CB-CD1 4.18Å; F20-I50 HydrophobicContact CD1-CD1 3.63Å; F20-I50 HydrophobicContact CD1-CG1 3.84Å; F20-I50 HydrophobicContact CD2-CD1 4.46Å; F20-I50 HydrophobicContact CD2-CG1 4.42Å; F20-I50 HydrophobicContact CD2-CG2 3.7Å; F20-I50 HydrophobicContact CE1-CD1 4.1Å; F20-I50 HydrophobicContact CE1-CG1 3.77Å; F20-I50 HydrophobicContact CE2-CG1 4.36Å; F20-I50 HydrophobicContact CE2-CG2 3.78Å; F20-I50 HydrophobicContact CG-CD1 3.83Å; F20-I50 HydrophobicContact CG-CG1 4.17Å; F20-I50 HydrophobicContact CG-CG2 4.14Å; F20-I50 HydrophobicContact CZ-CG1 4.04Å; F20-I50 HydrophobicContact CZ-CG2 4.27Å; F20-I50 VanDerWaalsContact CZ-O 3.26Å; F20-I50 WeakPolarHBondContact CZ-O 3.42Å; E24-I50 HydrophobicContact CB-CD1 4.3Å; Y28-I50 HydrophobicContact CD1-CB 3.77Å; Y28-I50 HydrophobicContact CD1-CG1 4.48Å; Y28-I50 HydrophobicContact CE1-CB 4.13Å; Y28-I50 VanDerWaalsContact CE1-N 3.26Å; Y28-I50 HydrophobicContact CG-CB 4.17Å; Y28-I50 HydrophobicContact CG-CD1 4.49Å; Y28-I50 HydrophobicContact CG-CG1 4.4Å; V46-I50 WeakPolarHBondContact O-CG2 3.26Å; V46-I50 PolarHBondContact O-N 2.89Å; Y47-I50 WeakPolarHBondContact O-CG2 3.46Å
51	K	88.6	Confident	91.2	Very high	141 Å²	141	47.9 Å²	47.9	61%	0.613	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.7	177.2	-161.9	-175.8	171.5	-174.6	0	112.4	F20 Y47 E48 G49	F20-K51 HydrophobicContact CE2-CB 4.04Å; F20-K51 HydrophobicContact CE2-CG 4.3Å; Y47-K51 HydrophobicContact CE1-CD 4.45Å; Y47-K51 WeakPolarHBondContact O-CB 3.39Å; Y47-K51 PolarHBondContact O-N 2.85Å; E48-K51 CarbonylContact O-C 3.55Å; E48-K51 PolarHBondContact O-N 3.43Å; G49-K51 PolarHBondContact O-N 2.87Å
52	A	89.4	Confident	91.2	Very high	9 Å²	9	47.7 Å²	47.7	7%	0.074	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65	127	-172.5	0	0	0	0	0	109.7	E48 G49 C84 Y88	E48-A52 PolarHBondContact O-N 3.3Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 2.68Å; G49-A52 VanDerWaalsContact O-N 3.1Å; A52-C84 HydrophobicContact CB-CB 4.27Å; A52-Y88 HydrophobicContact CB-CE2 3.68Å; A52-Y88 WeakPolarHBondContact CB-OH 3.32Å
53	P	90.5	Very high	90.9	Very high	48 Å²	48	49 Å²	49	31%	0.312	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-69	154.4	174.6	30.8	-35.4	0	0	0	110.2	E13 Y15 P123	E13-P53 VanDerWaalsContact OE1-CA 3.27Å; E13-P53 WeakPolarHBondContact OE1-CA 3.4Å; Y15-P53 HydrophobicContact CE1-CB 3.93Å; P53-P123 HydrophobicContact CG-CB 4.33Å
54	L	90.5	Very high	90.7	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.3	139.7	173.3	-74.5	168.9	0	0	0	110.8	E13 W58 P60 Y70 H82 P83	E13-L54 HydrophobicContact CG-CD1 4.46Å; E13-L54 PolarHBondContact OE1-N 3.42Å; L54-W58 HydrophobicContact CB-CB 4.18Å; L54-W58 HydrophobicContact CD2-CB 4.18Å; L54-P60 HydrophobicContact CD1-CG 4.18Å; L54-Y70 HydrophobicContact CD1-CD1 3.92Å; L54-Y70 HydrophobicContact CD1-CE1 4.02Å; L54-Y70 HydrophobicContact CD2-CD1 3.47Å; L54-Y70 VanDerWaalsContact CD2-CD1 3.47Å; L54-Y70 HydrophobicContact CD2-CE1 3.69Å; L54-Y70 HydrophobicContact CD2-CG 4.3Å; L54-Y70 HydrophobicContact CG-CD1 4.34Å; L54-Y70 HydrophobicContact CG-CE1 4.36Å; L54-H82 VanDerWaalsContact CD2-NE2 3.25Å; L54-H82 WeakPolarHBondContact CD2-NE2 3.5Å; L54-P83 HydrophobicContact CD2-CG 3.7Å
55	P	91.2	Very high	90.5	Very high	37 Å²	37	51.3 Å²	51.3	24%	0.24	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.8	155.5	173.4	-10	22.2	0	0	0	110.6	G57 W58 P83	P55-G57 PolarHBondContact O-N 3.43Å; P55-W58 HydrophobicContact CG-CG 4.45Å; P55-W58 WeakPolarHBondContact O-CB 3.26Å; P55-W58 PolarHBondContact O-N 2.82Å; P55-P83 VanDerWaalsContact CD-CG 3.45Å; P55-P83 HydrophobicContact CG-CB 4.17Å; P55-P83 HydrophobicContact CG-CG 3.93Å
56	V	88	Confident	90.3	Very high	76 Å²	76	51.7 Å²	51.7	46%	0.461	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128.3	-178.8	-166.2	0	0	0	0	110.4	F74 C124 N526	V56-F74 HydrophobicContact CB-CE2 4.47Å; V56-F74 HydrophobicContact CG1-CE2 3.89Å; V56-F74 HydrophobicContact CG1-CZ 4.32Å; V56-C124 HydrophobicContact CG2-CB 3.92Å; V56-N526 WeakPolarHBondContact CG1-ND2 3.26Å
57	G	89	Confident	90.2	Very high	12 Å²	12	55.3 Å²	55.3	12%	0.124	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-19.6	-179.6	0	0	0	0	0	114.8	P55 N72 F73 F74	P55-G57 PolarHBondContact O-N 3.43Å; G57-N72 CarbonylContact O-C 3.55Å; G57-N72 WeakPolarHBondContact O-CA 3.37Å; G57-F73 WeakPolarHBondContact O-CD2 3.38Å; G57-F73 PolarHBondContact O-N 2.77Å; G57-F74 VanDerWaalsContact N-CE2 3.28Å
58	W	93.9	Very high	90.2	Very high	39 Å²	39	55.2 Å²	55.2	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133	172.8	-65.7	87.5	0	0	0	110.2	L54 P55 F71 N72 Q77 T79 P83	L54-W58 HydrophobicContact CB-CB 4.18Å; L54-W58 HydrophobicContact CD2-CB 4.18Å; P55-W58 HydrophobicContact CG-CG 4.45Å; P55-W58 WeakPolarHBondContact O-CB 3.26Å; P55-W58 PolarHBondContact O-N 2.82Å; W58-F71 CarbonylContact C-O 3.39Å; W58-F71 WeakPolarHBondContact CA-O 3.35Å; W58-N72 HydrophobicContact CD2-CB 3.73Å; W58-N72 HydrophobicContact CE3-CB 3.81Å; W58-N72 HydrophobicContact CG-CB 4.36Å; W58-N72 HydrophobicContact CH2-CB 3.87Å; W58-N72 HydrophobicContact CZ2-CB 3.8Å; W58-N72 HydrophobicContact CZ3-CB 3.84Å; W58-N72 PolarHBondContact NE1-ND2 3.07Å; W58-N72 VanDerWaalsContact NE1-ND2 3.15Å; W58-Q77 HydrophobicContact CH2-CB 4.16Å; W58-T79 HydrophobicContact CE3-CG2 4.32Å; W58-T79 HydrophobicContact CH2-CG2 3.86Å; W58-T79 HydrophobicContact CZ3-CG2 3.54Å; W58-P83 HydrophobicContact CB-CG 4.24Å; W58-P83 HydrophobicContact CD2-CB 3.88Å; W58-P83 HydrophobicContact CD2-CG 3.79Å; W58-P83 HydrophobicContact CE3-CB 4.33Å; W58-P83 HydrophobicContact CE3-CG 4.22Å; W58-P83 HydrophobicContact CG-CB 4.27Å; W58-P83 HydrophobicContact CG-CG 3.83Å; W58-P83 HydrophobicContact CZ2-CB 4.09Å
59	K	91.9	Very high	90.3	Very high	104 Å²	104	51.8 Å²	51.8	45%	0.452	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.3	164.9	-52.3	-175.8	171.3	-175.8	0	110.2	I10 Y70 F71 F73	I10-K59 HydrophobicContact CG2-CB 4.24Å; I10-K59 HydrophobicContact CG2-CD 3.82Å; K59-Y70 WeakPolarHBondContact O-CA 3.28Å; K59-F71 PolarHBondContact N-O 2.86Å; K59-F71 PolarHBondContact O-N 3.08Å; K59-F73 HydrophobicContact CB-CD2 4.29Å; K59-F73 HydrophobicContact CB-CE2 3.73Å; K59-F73 HydrophobicContact CD-CD2 4.21Å; K59-F73 HydrophobicContact CD-CE2 3.95Å; K59-F73 HydrophobicContact CG-CD2 4.03Å; K59-F73 HydrophobicContact CG-CE2 3.89Å
60	P	92.2	Very high	90.5	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.104	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136	169.4	21.9	-13.9	0	0	0	109.4	L11 L54 I68 Y69 Y70	L11-P60 WeakPolarHBondContact CA-O 3.39Å; L11-P60 HydrophobicContact CB-CB 4.18Å; L11-P60 HydrophobicContact CB-CG 3.96Å; L11-P60 WeakPolarHBondContact CB-O 3.35Å; L11-P60 HydrophobicContact CD1-CB 4.4Å; L11-P60 PolarHBondContact N-O 3.12Å; L54-P60 HydrophobicContact CD1-CG 4.18Å; P60-I68 HydrophobicContact CB-CG2 4.06Å; P60-Y69 CarbonylContact C-O 3.6Å; P60-Y69 WeakPolarHBondContact CA-O 3.44Å; P60-Y70 HydrophobicContact CB-CD1 4.17Å; P60-Y70 HydrophobicContact CB-CE1 4.09Å
61	C	91.3	Very high	90.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.2	175.3	-66.2	0	0	0	0	108.3	V9 I68 Y69	V9-C61 CarbonylContact O-C 3.51Å; V9-C61 VanDerWaalsContact O-CA 3.3Å; V9-C61 WeakPolarHBondContact O-CA 3.28Å; C61-I68 WeakPolarHBondContact O-CA 3.5Å; C61-Y69 HydrophobicContact CB-CD1 4Å; C61-Y69 HydrophobicContact CB-CD2 4.26Å; C61-Y69 HydrophobicContact CB-CE1 3.42Å; C61-Y69 VanDerWaalsContact CB-CE1 3.42Å; C61-Y69 HydrophobicContact CB-CE2 3.75Å; C61-Y69 HydrophobicContact CB-CG 4.38Å; C61-Y69 WeakPolarHBondContact CB-OH 3.42Å; C61-Y69 PolarHBondContact N-O 2.84Å; C61-Y69 WeakPolarHBondContact O-CD1 3.18Å; C61-Y69 PolarHBondContact O-N 2.94Å; C61-Y69 VanDerWaalsContact O-O 3.12Å
62	M	90.5	Very high	90.8	Very high	60 Å²	60	49 Å²	49	30%	0.296	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.2	174.8	-171	177.4	-74.3	0	0	108.4	Q8 V9 L11 D67 I68	Q8-M62 WeakPolarHBondContact CA-O 3.12Å; V9-M62 HydrophobicContact CB-CB 4.35Å; V9-M62 PolarHBondContact N-O 3.2Å; V9-M62 PolarHBondContact O-N 3.43Å; L11-M62 HydrophobicContact CD1-CB 4.37Å; L11-M62 HydrophobicContact CD1-CE 4.18Å; M62-D67 WeakPolarHBondContact CA-O 3.47Å; M62-I68 HydrophobicContact CE-CG1 4.33Å
63	N	88.1	Confident	90.8	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.144	28%	0.283	C	S	.	.			trans	-76.9	178.4	173.3	71.5	4.2	0	0	0	110.8	N65 G66 D67 Y69	N63-N65 PolarHBondContact O-N 3.37Å; N63-N65 WeakPolarHBondContact OD1-CA 3.47Å; N63-N65 WeakPolarHBondContact OD1-CB 3.33Å; N63-N65 PolarHBondContact OD1-N 2.99Å; N63-G66 PolarHBondContact O-N 3.45Å; N63-G66 VanDerWaalsContact O-N 3.14Å; N63-G66 PolarHBondContact OD1-N 2.96Å; N63-D67 PolarHBondContact N-O 3.3Å; N63-D67 PolarHBondContact ND2-OD2 2.88Å; N63-D67 VanDerWaalsContact ND2-OD2 3.09Å; N63-D67 PolarHBondContact OD1-N 3.39Å; N63-D67 PolarHBondContact OD1-O 3.19Å; N63-Y69 HydrophobicContact CB-CD1 4.48Å; N63-Y69 HydrophobicContact CB-CE1 4.22Å
64	T	88.5	Confident	90.7	Very high	105 Å²	105	53.1 Å²	53.1	64%	0.644	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.3	177.2	49.7	0	0	0	0	113.7	G66	T64-G66 VanDerWaalsContact C-N 3.33Å
65	N	89.7	Confident	90.6	Very high	125 Å²	125	55.7 Å²	55.7	67%	0.668	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10	179.6	-56.5	-10.6	0	0	0	112.4	N63 D67	N63-N65 PolarHBondContact O-N 3.37Å; N63-N65 WeakPolarHBondContact OD1-CA 3.47Å; N63-N65 WeakPolarHBondContact OD1-CB 3.33Å; N63-N65 PolarHBondContact OD1-N 2.99Å; N65-D67 WeakPolarHBondContact CB-OD2 3.36Å
66	G	88.1	Confident	90.5	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	31%	0.31	S	S	.	.	S	Bend	trans	89.8	1.3	-174.3	0	0	0	0	0	114.6	N63 T64	N63-G66 PolarHBondContact O-N 3.45Å; N63-G66 VanDerWaalsContact O-N 3.14Å; N63-G66 PolarHBondContact OD1-N 2.96Å; T64-G66 VanDerWaalsContact C-N 3.33Å
67	D	91.3	Very high	90.6	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	31%	0.314	S	S	.	.			trans	-75.5	139.3	176.8	-50	-56	0	0	0	110.7	M62 N63 N65 W80	M62-D67 WeakPolarHBondContact CA-O 3.47Å; N63-D67 PolarHBondContact N-O 3.3Å; N63-D67 PolarHBondContact ND2-OD2 2.88Å; N63-D67 VanDerWaalsContact ND2-OD2 3.09Å; N63-D67 PolarHBondContact OD1-N 3.39Å; N63-D67 PolarHBondContact OD1-O 3.19Å; N65-D67 WeakPolarHBondContact CB-OD2 3.36Å; D67-W80 HydrophobicContact CB-CH2 4.25Å; D67-W80 HydrophobicContact CB-CZ3 3.75Å
68	I	91	Very high	90.8	Very high	87 Å²	87	61.7 Å²	61.7	45%	0.446	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	178.5	-57.9	173.8	0	0	0	109.2	L11 P60 C61 M62	L11-I68 HydrophobicContact CD1-CD1 4.42Å; L11-I68 HydrophobicContact CD1-CG1 4.36Å; P60-I68 HydrophobicContact CB-CG2 4.06Å; C61-I68 WeakPolarHBondContact O-CA 3.5Å; M62-I68 HydrophobicContact CE-CG1 4.33Å
69	Y	93.5	Very high	90.8	Very high	27 Å²	27	61.7 Å²	61.7	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	163.4	169.7	68.9	-77.9	0	0	0	109.7	Q8 P60 C61 N63 F71	Q8-Y69 PolarHBondContact OE1-OH 3.27Å; P60-Y69 CarbonylContact C-O 3.6Å; P60-Y69 WeakPolarHBondContact CA-O 3.44Å; C61-Y69 HydrophobicContact CB-CD1 4Å; C61-Y69 HydrophobicContact CB-CD2 4.26Å; C61-Y69 HydrophobicContact CB-CE1 3.42Å; C61-Y69 VanDerWaalsContact CB-CE1 3.42Å; C61-Y69 HydrophobicContact CB-CE2 3.75Å; C61-Y69 HydrophobicContact CB-CG 4.38Å; C61-Y69 WeakPolarHBondContact CB-OH 3.42Å; C61-Y69 PolarHBondContact N-O 2.84Å; C61-Y69 WeakPolarHBondContact O-CD1 3.18Å; C61-Y69 PolarHBondContact O-N 2.94Å; C61-Y69 VanDerWaalsContact O-O 3.12Å; N63-Y69 HydrophobicContact CB-CD1 4.48Å; N63-Y69 HydrophobicContact CB-CE1 4.22Å; Y69-F71 HydrophobicContact CD2-CB 4.43Å; Y69-F71 HydrophobicContact CE2-CB 3.99Å; Y69-F71 HydrophobicContact CE2-CD2 4.44Å
70	Y	93.4	Very high	91	Very high	53 Å²	53	64.3 Å²	64.3	21%	0.208	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.4	176	-56.7	-85.1	0	0	0	109.7	L54 K59 P60 S78 T79 D81 H82	L54-Y70 HydrophobicContact CD1-CD1 3.92Å; L54-Y70 HydrophobicContact CD1-CE1 4.02Å; L54-Y70 HydrophobicContact CD2-CD1 3.47Å; L54-Y70 VanDerWaalsContact CD2-CD1 3.47Å; L54-Y70 HydrophobicContact CD2-CE1 3.69Å; L54-Y70 HydrophobicContact CD2-CG 4.3Å; L54-Y70 HydrophobicContact CG-CD1 4.34Å; L54-Y70 HydrophobicContact CG-CE1 4.36Å; K59-Y70 WeakPolarHBondContact O-CA 3.28Å; P60-Y70 HydrophobicContact CB-CD1 4.17Å; P60-Y70 HydrophobicContact CB-CE1 4.09Å; Y70-S78 CarbonylContact O-C 3.59Å; Y70-S78 WeakPolarHBondContact O-CA 3.47Å; Y70-T79 PolarHBondContact N-O 3.45Å; Y70-T79 PolarHBondContact O-N 3.09Å; Y70-D81 WeakPolarHBondContact CD2-O 3.41Å; Y70-H82 HydrophobicContact CE2-CB 4.22Å; Y70-H82 AromaticContact CZ-CD2 3.98Å
71	F	92.9	Very high	91	Very high	56 Å²	56	66.9 Å²	66.9	25%	0.246	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.1	178.4	-173	-101.2	0	0	0	110.4	W58 K59 Y69 F73 G76 Q77	W58-F71 CarbonylContact C-O 3.39Å; W58-F71 WeakPolarHBondContact CA-O 3.35Å; K59-F71 PolarHBondContact N-O 2.86Å; K59-F71 PolarHBondContact O-N 3.08Å; Y69-F71 HydrophobicContact CD2-CB 4.43Å; Y69-F71 HydrophobicContact CE2-CB 3.99Å; Y69-F71 HydrophobicContact CE2-CD2 4.44Å; F71-F73 HydrophobicContact CB-CE2 4.29Å; F71-F73 AromaticContact CD1-CD1 3.96Å; F71-F73 HydrophobicContact CD1-CD1 3.96Å; F71-F73 AromaticContact CD1-CD2 3.86Å; F71-F73 HydrophobicContact CD1-CD2 3.86Å; F71-F73 AromaticContact CD1-CE1 3.91Å; F71-F73 HydrophobicContact CD1-CE1 3.91Å; F71-F73 AromaticContact CD1-CE2 3.75Å; F71-F73 HydrophobicContact CD1-CE2 3.75Å; F71-F73 AromaticContact CD1-CG 3.94Å; F71-F73 HydrophobicContact CD1-CG 3.94Å; F71-F73 AromaticContact CD1-CZ 3.8Å; F71-F73 HydrophobicContact CD1-CZ 3.8Å; F71-F73 HydrophobicContact CE1-CD1 4.03Å; F71-F73 HydrophobicContact CE1-CE1 4.22Å; F71-F73 HydrophobicContact CE1-CG 4.23Å; F71-G76 WeakPolarHBondContact CE2-O 3.28Å; F71-Q77 WeakPolarHBondContact CD2-O 3.49Å
72	N	92.8	Very high	91.1	Very high	12 Å²	12	68.2 Å²	68.2	6%	0.064	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109	172.8	-170	-32.8	0	0	0	110	G57 W58 F74 T75 G76 Q77	G57-N72 CarbonylContact O-C 3.55Å; G57-N72 WeakPolarHBondContact O-CA 3.37Å; W58-N72 HydrophobicContact CD2-CB 3.73Å; W58-N72 HydrophobicContact CE3-CB 3.81Å; W58-N72 HydrophobicContact CG-CB 4.36Å; W58-N72 HydrophobicContact CH2-CB 3.87Å; W58-N72 HydrophobicContact CZ2-CB 3.8Å; W58-N72 HydrophobicContact CZ3-CB 3.84Å; W58-N72 PolarHBondContact NE1-ND2 3.07Å; W58-N72 VanDerWaalsContact NE1-ND2 3.15Å; N72-F74 PolarHBondContact O-N 3.06Å; N72-F74 WeakPolarHBondContact OD1-CB 3.32Å; N72-F74 PolarHBondContact OD1-N 2.78Å; N72-T75 VanDerWaalsContact CB-OG1 3.29Å; N72-T75 WeakPolarHBondContact CB-OG1 3.24Å; N72-T75 PolarHBondContact ND2-OG1 2.95Å; N72-T75 PolarHBondContact O-N 2.92Å; N72-T75 PolarHBondContact OD1-N 3.38Å; N72-G76 WeakPolarHBondContact O-CA 3.48Å; N72-G76 PolarHBondContact O-N 3.41Å; N72-Q77 PolarHBondContact N-O 3.23Å
73	F	89.4	Confident	91.2	Very high	85 Å²	85	66.8 Å²	66.8	37%	0.373	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.1	-178.8	-71.6	-91.7	0	0	0	113.9	I10 G57 K59 F71	I10-F73 HydrophobicContact CD1-CE1 3.63Å; I10-F73 HydrophobicContact CD1-CZ 3.56Å; I10-F73 HydrophobicContact CG1-CE1 4.42Å; I10-F73 HydrophobicContact CG1-CZ 3.89Å; I10-F73 HydrophobicContact CG2-CE2 4.37Å; I10-F73 HydrophobicContact CG2-CZ 3.99Å; G57-F73 WeakPolarHBondContact O-CD2 3.38Å; G57-F73 PolarHBondContact O-N 2.77Å; K59-F73 HydrophobicContact CB-CD2 4.29Å; K59-F73 HydrophobicContact CB-CE2 3.73Å; K59-F73 HydrophobicContact CD-CD2 4.21Å; K59-F73 HydrophobicContact CD-CE2 3.95Å; K59-F73 HydrophobicContact CG-CD2 4.03Å; K59-F73 HydrophobicContact CG-CE2 3.89Å; F71-F73 HydrophobicContact CB-CE2 4.29Å; F71-F73 AromaticContact CD1-CD1 3.96Å; F71-F73 HydrophobicContact CD1-CD1 3.96Å; F71-F73 AromaticContact CD1-CD2 3.86Å; F71-F73 HydrophobicContact CD1-CD2 3.86Å; F71-F73 AromaticContact CD1-CE1 3.91Å; F71-F73 HydrophobicContact CD1-CE1 3.91Å; F71-F73 AromaticContact CD1-CE2 3.75Å; F71-F73 HydrophobicContact CD1-CE2 3.75Å; F71-F73 AromaticContact CD1-CG 3.94Å; F71-F73 HydrophobicContact CD1-CG 3.94Å; F71-F73 AromaticContact CD1-CZ 3.8Å; F71-F73 HydrophobicContact CD1-CZ 3.8Å; F71-F73 HydrophobicContact CE1-CD1 4.03Å; F71-F73 HydrophobicContact CE1-CE1 4.22Å; F71-F73 HydrophobicContact CE1-CG 4.23Å
74	F	87.7	Confident	91.4	Very high	60 Å²	60	65.9 Å²	65.9	26%	0.263	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-44	175.2	-49.2	-32.1	0	0	0	112	V56 G57 N72 H338 N526	V56-F74 HydrophobicContact CB-CE2 4.47Å; V56-F74 HydrophobicContact CG1-CE2 3.89Å; V56-F74 HydrophobicContact CG1-CZ 4.32Å; G57-F74 VanDerWaalsContact N-CE2 3.28Å; N72-F74 PolarHBondContact O-N 3.06Å; N72-F74 WeakPolarHBondContact OD1-CB 3.32Å; N72-F74 PolarHBondContact OD1-N 2.78Å; F74-H338 PolarHBondContact O-CE1 3.01Å; F74-H338 PolarHBondContact O-ND1 3.39Å; F74-N526 HydrophobicContact CE1-CB 3.98Å; F74-N526 VanDerWaalsContact CE1-CG 3.41Å; F74-N526 VanDerWaalsContact CE1-OD1 3.23Å; F74-N526 WeakPolarHBondContact CE1-OD1 3.47Å; F74-N526 VanDerWaalsContact CE2-CG 3.48Å; F74-N526 WeakPolarHBondContact CE2-OD1 3.26Å; F74-N526 HydrophobicContact CZ-CB 3.98Å; F74-N526 WeakPolarHBondContact CZ-ND2 3.28Å; F74-N526 WeakPolarHBondContact CZ-OD1 3.46Å
75	T	88.9	Confident	91.6	Very high	72 Å²	72	61.3 Å²	61.3	44%	0.442	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-9.9	-175.2	64.2	0	0	0	0	113.5	N72 Q77	N72-T75 VanDerWaalsContact CB-OG1 3.29Å; N72-T75 WeakPolarHBondContact CB-OG1 3.24Å; N72-T75 PolarHBondContact ND2-OG1 2.95Å; N72-T75 PolarHBondContact O-N 2.92Å; N72-T75 PolarHBondContact OD1-N 3.38Å; T75-Q77 PolarHBondContact O-N 3.12Å; T75-Q77 WeakPolarHBondContact OG1-CB 3.37Å; T75-Q77 WeakPolarHBondContact OG1-CG 3.41Å; T75-Q77 PolarHBondContact OG1-N 3.34Å; T75-Q77 PolarHBondContact OG1-OE1 3.23Å
76	G	88.2	Confident	91.7	Very high	50 Å²	50	59.9 Å²	59.9	52%	0.515	33%	0.325	S	S	.	.			trans	69.9	6.1	-172.9	0	0	0	0	0	114	F71 N72	F71-G76 WeakPolarHBondContact CE2-O 3.28Å; N72-G76 WeakPolarHBondContact O-CA 3.48Å; N72-G76 PolarHBondContact O-N 3.41Å
77	Q	90.7	Very high	91.9	Very high	116 Å²	116	63 Å²	63	54%	0.542	33%	0.326	S	S	.	.			trans	-78.8	145.3	-179	-68.4	176	-23	0	0	111.4	W58 F71 N72 T75	W58-Q77 HydrophobicContact CH2-CB 4.16Å; F71-Q77 WeakPolarHBondContact CD2-O 3.49Å; N72-Q77 PolarHBondContact N-O 3.23Å; T75-Q77 PolarHBondContact O-N 3.12Å; T75-Q77 WeakPolarHBondContact OG1-CB 3.37Å; T75-Q77 WeakPolarHBondContact OG1-CG 3.41Å; T75-Q77 PolarHBondContact OG1-N 3.34Å; T75-Q77 PolarHBondContact OG1-OE1 3.23Å
78	S	92.8	Very high	92	Very high	84 Å²	84	59.4 Å²	59.4	59%	0.587	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	148.3	172.1	57.7	0	0	0	0	110.8	Y70	Y70-S78 CarbonylContact O-C 3.59Å; Y70-S78 WeakPolarHBondContact O-CA 3.47Å
79	T	94.5	Very high	92.2	Very high	40 Å²	40	58.6 Å²	58.6	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.2	172.8	174.8	0	0	0	0	109.6	W58 Y70 D81	W58-T79 HydrophobicContact CE3-CG2 4.32Å; W58-T79 HydrophobicContact CH2-CG2 3.86Å; W58-T79 HydrophobicContact CZ3-CG2 3.54Å; Y70-T79 PolarHBondContact N-O 3.45Å; Y70-T79 PolarHBondContact O-N 3.09Å; T79-D81 WeakPolarHBondContact CG2-O 3.48Å; T79-D81 PolarHBondContact OG1-N 2.67Å; T79-D81 VanDerWaalsContact OG1-N 3.14Å; T79-D81 PolarHBondContact OG1-O 3.06Å
80	W	94.8	Very high	92.2	Very high	159 Å²	159	61.5 Å²	61.5	60%	0.602	32%	0.317	S	S	*	.	S	Bend	trans	-80.2	-30.3	172	-65.7	102.6	0	0	0	111.9	D67	D67-W80 HydrophobicContact CB-CH2 4.25Å; D67-W80 HydrophobicContact CB-CZ3 3.75Å
81	D	93.6	Very high	92.2	Very high	70 Å²	70	61 Å²	61	37%	0.374	32%	0.317	S	S	.	.	S	Bend	trans	-87.5	153.8	-179	-59.6	-27.6	0	0	0	111.2	W31 Y70 T79	W31-D81 VanDerWaalsContact CH2-OD1 3.31Å; W31-D81 WeakPolarHBondContact CH2-OD1 3.42Å; W31-D81 HydrophobicContact CZ2-CB 4.15Å; W31-D81 WeakPolarHBondContact CZ2-OD1 3.22Å; W31-D81 WeakPolarHBondContact CZ2-OD2 3.36Å; Y70-D81 WeakPolarHBondContact CD2-O 3.41Å; T79-D81 WeakPolarHBondContact CG2-O 3.48Å; T79-D81 PolarHBondContact OG1-N 2.67Å; T79-D81 VanDerWaalsContact OG1-N 3.14Å; T79-D81 PolarHBondContact OG1-O 3.06Å
82	H	92.4	Very high	92.2	Very high	30 Å²	30	58.3 Å²	58.3	14%	0.139	31%	0.306	C	S	.	.			trans	-63.5	129.1	175.3	-173.1	-88.5	0	0	0	109.7	L54 Y70 C84 D85	L54-H82 VanDerWaalsContact CD2-NE2 3.25Å; L54-H82 WeakPolarHBondContact CD2-NE2 3.5Å; Y70-H82 HydrophobicContact CE2-CB 4.22Å; Y70-H82 AromaticContact CZ-CD2 3.98Å; H82-C84 WeakPolarHBondContact ND1-CB 3.16Å; H82-C84 PolarHBondContact ND1-N 2.87Å; H82-C84 PolarHBondContact O-N 3.37Å; H82-D85 VanDerWaalsContact O-CB 3.28Å; H82-D85 WeakPolarHBondContact O-CB 3.25Å; H82-D85 PolarHBondContact O-N 3.48Å
83	P	92.4	Very high	92.2	Very high	30 Å²	30	62.4 Å²	62.4	20%	0.195	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.3	-171.5	23.7	-36.2	0	0	0	114.1	L54 P55 W58	L54-P83 HydrophobicContact CD2-CG 3.7Å; P55-P83 VanDerWaalsContact CD-CG 3.45Å; P55-P83 HydrophobicContact CG-CB 4.17Å; P55-P83 HydrophobicContact CG-CG 3.93Å; W58-P83 HydrophobicContact CB-CG 4.24Å; W58-P83 HydrophobicContact CD2-CB 3.88Å; W58-P83 HydrophobicContact CD2-CG 3.79Å; W58-P83 HydrophobicContact CE3-CB 4.33Å; W58-P83 HydrophobicContact CE3-CG 4.22Å; W58-P83 HydrophobicContact CG-CB 4.27Å; W58-P83 HydrophobicContact CG-CG 3.83Å; W58-P83 HydrophobicContact CZ2-CB 4.09Å
84	C	92.3	Very high	92.3	Very high	8 Å²	8	62.9 Å²	62.9	5%	0.054	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.8	174.1	-58.1	0	0	0	0	114.1	A52 H82 V86 Y87 Y88	A52-C84 HydrophobicContact CB-CB 4.27Å; H82-C84 WeakPolarHBondContact ND1-CB 3.16Å; H82-C84 PolarHBondContact ND1-N 2.87Å; H82-C84 PolarHBondContact O-N 3.37Å; C84-V86 VanDerWaalsContact C-N 3.27Å; C84-V86 PolarHBondContact O-N 3.5Å; C84-Y87 VanDerWaalsContact O-CB 3.31Å; C84-Y87 WeakPolarHBondContact O-CB 3.34Å; C84-Y87 PolarHBondContact O-N 3.42Å; C84-Y88 HydrophobicContact CB-CD2 4.17Å; C84-Y88 HydrophobicContact CB-CE2 3.83Å; C84-Y88 WeakPolarHBondContact O-CD2 3.41Å; C84-Y88 PolarHBondContact O-N 3.45Å
85	D	92.4	Very high	92.4	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.053	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-35	-173.6	-74.2	-10.8	0	0	0	112.5	Y28 W31 H82 Y87 Y88 K89	Y28-D85 WeakPolarHBondContact CE2-OD1 3.22Å; Y28-D85 PolarHBondContact OH-OD1 2.87Å; W31-D85 PolarHBondContact NE1-OD2 2.93Å; H82-D85 VanDerWaalsContact O-CB 3.28Å; H82-D85 WeakPolarHBondContact O-CB 3.25Å; H82-D85 PolarHBondContact O-N 3.48Å; D85-Y87 VanDerWaalsContact C-N 3.26Å; D85-Y87 PolarHBondContact O-N 2.83Å; D85-Y88 PolarHBondContact O-N 2.91Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 WeakPolarHBondContact O-CG 3.45Å; D85-K89 PolarHBondContact O-N 2.97Å
86	V	91.7	Very high	92.5	Very high	95 Å²	95	64.1 Å²	64.1	58%	0.576	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-40.4	175.2	178.8	0	0	0	0	110.9	C84 K89 N90	C84-V86 VanDerWaalsContact C-N 3.27Å; C84-V86 PolarHBondContact O-N 3.5Å; V86-K89 PolarHBondContact O-N 3.4Å; V86-N90 VanDerWaalsContact O-CG 3.24Å; V86-N90 PolarHBondContact O-N 3.08Å; V86-N90 PolarHBondContact O-ND2 3.32Å
87	Y	93.5	Very high	92.7	Very high	101 Å²	101	67.7 Å²	67.7	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-46.7	176.8	171.5	-100.4	0	0	0	111.5	C84 D85 N90 M91	C84-Y87 VanDerWaalsContact O-CB 3.31Å; C84-Y87 WeakPolarHBondContact O-CB 3.34Å; C84-Y87 PolarHBondContact O-N 3.42Å; D85-Y87 VanDerWaalsContact C-N 3.26Å; D85-Y87 PolarHBondContact O-N 2.83Å; Y87-N90 PolarHBondContact O-N 3.36Å; Y87-M91 HydrophobicContact CD1-CE 3.73Å; Y87-M91 HydrophobicContact CD1-SD 4.34Å; Y87-M91 HydrophobicContact CE1-CE 3.28Å; Y87-M91 HydrophobicContact CE1-CG 4.22Å; Y87-M91 HydrophobicContact CE1-SD 3.53Å; Y87-M91 VanDerWaalsContact CE1-SD 3.53Å; Y87-M91 HydrophobicContact CE2-CG 4.4Å; Y87-M91 HydrophobicContact CE2-SD 4.39Å; Y87-M91 VanDerWaalsContact CZ-SD 3.55Å; Y87-M91 WeakPolarHBondContact O-CG 3.37Å; Y87-M91 PolarHBondContact O-N 2.99Å; Y87-M91 PolarHBondContact OH-SD 3.47Å
88	Y	93.5	Very high	92.5	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-39.4	178.3	-69.8	-75.8	0	0	0	112.5	E48 A52 C84 D85 N90 M91 V92	E48-Y88 HydrophobicContact CB-CE1 4.01Å; E48-Y88 HydrophobicContact CG-CE1 4.02Å; E48-Y88 PolarHBondContact O-OH 2.99Å; A52-Y88 HydrophobicContact CB-CE2 3.68Å; A52-Y88 WeakPolarHBondContact CB-OH 3.32Å; C84-Y88 HydrophobicContact CB-CD2 4.17Å; C84-Y88 HydrophobicContact CB-CE2 3.83Å; C84-Y88 WeakPolarHBondContact O-CD2 3.41Å; C84-Y88 PolarHBondContact O-N 3.45Å; D85-Y88 PolarHBondContact O-N 2.91Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 3.4Å; Y88-M91 HydrophobicContact CD1-CE 3.07Å; Y88-M91 HydrophobicContact CE1-CE 3.31Å; Y88-M91 HydrophobicContact CG-CE 3.97Å; Y88-M91 PolarHBondContact O-N 2.87Å; Y88-V92 WeakPolarHBondContact O-CG2 2.83Å; Y88-V92 PolarHBondContact O-N 3.45Å
89	K	94	Very high	91.9	Very high	69 Å²	69	65.6 Å²	65.6	30%	0.3	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-44.8	172.4	-74.4	176.1	-178.9	175	0	111.1	W31 L32 D85 V86 V92 L93	W31-K89 WeakPolarHBondContact O-CE 3.48Å; L32-K89 HydrophobicContact CD2-CG 3.83Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 WeakPolarHBondContact O-CG 3.45Å; D85-K89 PolarHBondContact O-N 2.97Å; V86-K89 PolarHBondContact O-N 3.4Å; K89-V92 WeakPolarHBondContact O-CB 3.25Å; K89-V92 PolarHBondContact O-N 2.87Å; K89-L93 WeakPolarHBondContact O-CG 3.49Å; K89-L93 PolarHBondContact O-N 3.42Å; K89-L93 VanDerWaalsContact O-N 3.14Å
90	N	93.8	Very high	90.7	Very high	89 Å²	89	67.5 Å²	67.5	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-40	177.5	-70.9	-17.4	0	0	0	112.6	V86 Y87 Y88 V92 L93 E94	V86-N90 VanDerWaalsContact O-CG 3.24Å; V86-N90 PolarHBondContact O-N 3.08Å; V86-N90 PolarHBondContact O-ND2 3.32Å; Y87-N90 PolarHBondContact O-N 3.36Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 3.4Å; N90-V92 VanDerWaalsContact C-N 3.28Å; N90-V92 PolarHBondContact O-N 2.97Å; N90-L93 PolarHBondContact O-N 3.3Å; N90-E94 PolarHBondContact O-N 3.49Å
91	M	93.6	Very high	89	Confident	41 Å²	41	64.7 Å²	64.7	20%	0.202	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-37	175.2	-72.2	-161.6	-64.7	0	0	112.7	L45 Y87 Y88 E94 Y95	L45-M91 HydrophobicContact CD1-CB 4.26Å; L45-M91 HydrophobicContact CD2-CE 3.76Å; L45-M91 HydrophobicContact CD2-SD 4.08Å; Y87-M91 HydrophobicContact CD1-CE 3.73Å; Y87-M91 HydrophobicContact CD1-SD 4.34Å; Y87-M91 HydrophobicContact CE1-CE 3.28Å; Y87-M91 HydrophobicContact CE1-CG 4.22Å; Y87-M91 HydrophobicContact CE1-SD 3.53Å; Y87-M91 VanDerWaalsContact CE1-SD 3.53Å; Y87-M91 HydrophobicContact CE2-CG 4.4Å; Y87-M91 HydrophobicContact CE2-SD 4.39Å; Y87-M91 VanDerWaalsContact CZ-SD 3.55Å; Y87-M91 WeakPolarHBondContact O-CG 3.37Å; Y87-M91 PolarHBondContact O-N 2.99Å; Y87-M91 PolarHBondContact OH-SD 3.47Å; Y88-M91 HydrophobicContact CD1-CE 3.07Å; Y88-M91 HydrophobicContact CE1-CE 3.31Å; Y88-M91 HydrophobicContact CG-CE 3.97Å; Y88-M91 PolarHBondContact O-N 2.87Å; M91-E94 PolarHBondContact O-N 3.49Å; M91-Y95 WeakPolarHBondContact O-CB 3.4Å; M91-Y95 PolarHBondContact O-N 3.44Å
92	V	93.3	Very high	87.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.1	172.4	0	0	0	0	111.2	I34 L42 L45 Y88 K89 N90 Y95 R96	I34-V92 HydrophobicContact CD1-CG2 3.53Å; I34-V92 HydrophobicContact CG1-CG1 4Å; I34-V92 HydrophobicContact CG1-CG2 3.84Å; L42-V92 HydrophobicContact CD1-CG1 4.15Å; L45-V92 HydrophobicContact CD1-CG2 4.4Å; Y88-V92 WeakPolarHBondContact O-CG2 2.83Å; Y88-V92 PolarHBondContact O-N 3.45Å; K89-V92 WeakPolarHBondContact O-CB 3.25Å; K89-V92 PolarHBondContact O-N 2.87Å; N90-V92 VanDerWaalsContact C-N 3.28Å; N90-V92 PolarHBondContact O-N 2.97Å; V92-Y95 PolarHBondContact O-N 2.91Å; V92-R96 VanDerWaalsContact CG1-CZ 3.49Å; V92-R96 WeakPolarHBondContact O-CG 3.48Å; V92-R96 PolarHBondContact O-N 2.95Å
93	L	92.6	Very high	85.1	Confident	97 Å²	97	69 Å²	69	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-46.2	176.5	-66.5	175.1	0	0	0	111.5	K89 N90 Y95 R96 K97	K89-L93 WeakPolarHBondContact O-CG 3.49Å; K89-L93 PolarHBondContact O-N 3.42Å; K89-L93 VanDerWaalsContact O-N 3.14Å; N90-L93 PolarHBondContact O-N 3.3Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 2.95Å; L93-R96 PolarHBondContact O-N 3.39Å; L93-K97 WeakPolarHBondContact O-CB 3.37Å; L93-K97 PolarHBondContact O-N 2.72Å
94	E	91.7	Very high	83.1	Confident	95 Å²	95	73.3 Å²	73.3	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-38.2	177.4	-74	-61.2	115.6	0	0	112.1	N90 M91 K97 N98	N90-E94 PolarHBondContact O-N 3.49Å; M91-E94 PolarHBondContact O-N 3.49Å; E94-K97 PolarHBondContact O-N 2.97Å; E94-N98 WeakPolarHBondContact O-CB 3.33Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 2.96Å; E94-N98 PolarHBondContact O-ND2 3.4Å
95	Y	90.4	Very high	80.9	Confident	79 Å²	79	79.3 Å²	79.3	31%	0.31	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-47.3	174.7	-169.5	-84.9	0	0	0	111.7	E41 L42 M91 V92 L93 K97 N98 K99	E41-Y95 HydrophobicContact CG-CE1 3.64Å; E41-Y95 VanDerWaalsContact CG-OH 3.27Å; E41-Y95 WeakPolarHBondContact CG-OH 3.36Å; L42-Y95 HydrophobicContact CD2-CD1 3.43Å; L42-Y95 VanDerWaalsContact CD2-CD1 3.43Å; L42-Y95 HydrophobicContact CD2-CD2 4.07Å; L42-Y95 HydrophobicContact CD2-CE1 3.95Å; L42-Y95 HydrophobicContact CD2-CG 3.5Å; L42-Y95 HydrophobicContact CG-CD1 4.24Å; L42-Y95 HydrophobicContact CG-CE1 4.46Å; M91-Y95 WeakPolarHBondContact O-CB 3.4Å; M91-Y95 PolarHBondContact O-N 3.44Å; V92-Y95 PolarHBondContact O-N 2.91Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 2.95Å; Y95-K97 PolarHBondContact O-N 3.34Å; Y95-N98 PolarHBondContact O-N 3.34Å; Y95-K99 HydrophobicContact CE1-CD 4.36Å; Y95-K99 WeakPolarHBondContact O-CB 3.49Å; Y95-K99 PolarHBondContact O-N 2.9Å
96	R	90.9	Very high	78.6	Confident	80 Å²	80	85.7 Å²	85.7	30%	0.302	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-41.4	178.9	-72.2	171.1	174.3	161.7	-2	112.2	G33 E39 V92 L93 K99 S100	G33-R96 PolarHBondContact O-NH2 3.28Å; E39-R96 IonicContact OE1-CZ 2.72Å; E39-R96 IonicContact OE1-NE 3.97Å; E39-R96 IonicContact OE1-NH2 2.76Å; E39-R96 PolarHBondContact OE1-NH2 2.81Å; E39-R96 IonicContact OE2-CZ 3.26Å; E39-R96 IonicContact OE2-NE 3.28Å; E39-R96 PolarHBondContact OE2-NE 2.66Å; E39-R96 IonicContact OE2-NH2 2.78Å; E39-R96 PolarHBondContact OE2-NH2 3.28Å; V92-R96 VanDerWaalsContact CG1-CZ 3.49Å; V92-R96 WeakPolarHBondContact O-CG 3.48Å; V92-R96 PolarHBondContact O-N 2.95Å; L93-R96 PolarHBondContact O-N 3.39Å; R96-K99 PolarHBondContact O-N 3.2Å; R96-S100 PolarHBondContact O-N 3.09Å; R96-S100 VanDerWaalsContact O-N 3.16Å
97	K	91.4	Very high	76.3	Confident	124 Å²	124	88.4 Å²	88.4	54%	0.539	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.5	-175.6	-178.6	178.9	-175.9	0	112.1	L93 E94 Y95 K99 S100 C101	L93-K97 WeakPolarHBondContact O-CB 3.37Å; L93-K97 PolarHBondContact O-N 2.72Å; E94-K97 PolarHBondContact O-N 2.97Å; Y95-K97 PolarHBondContact O-N 3.34Å; K97-K99 VanDerWaalsContact C-N 3.31Å; K97-K99 PolarHBondContact O-N 3.28Å; K97-S100 PolarHBondContact O-N 3.18Å; K97-S100 PolarHBondContact O-OG 2.97Å; K97-C101 PolarHBondContact O-N 3.42Å; K97-C101 PolarHBondContact O-SG 3.48Å
98	N	86.9	Confident	73.8	Confident	49 Å²	49	93.9 Å²	93.9	26%	0.262	47%	0.474	S	S	.	.	H	α-helix	trans	-68.8	-31.7	178.7	-72	-41.1	0	0	0	112.3	E94 Y95 T102	E94-N98 WeakPolarHBondContact O-CB 3.33Å; E94-N98 VanDerWaalsContact O-CG 3.25Å; E94-N98 PolarHBondContact O-N 2.96Å; E94-N98 PolarHBondContact O-ND2 3.4Å; Y95-N98 PolarHBondContact O-N 3.34Å; N98-T102 WeakPolarHBondContact O-CB 3.43Å; N98-T102 WeakPolarHBondContact O-CG2 3.44Å; N98-T102 PolarHBondContact O-N 2.83Å; N98-T102 PolarHBondContact O-OG1 3.3Å
99	K	80.4	Confident	71.3	Confident	107 Å²	107	99.8 Å²	99.8	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-40.3	176.8	-165.8	176.6	-178.1	-178.4	0	112.1	E41 Y95 R96 K97 C101 T102	E41-K99 IonicContact OE1-NZ 2.66Å; E41-K99 PolarHBondContact OE1-NZ 2.93Å; Y95-K99 HydrophobicContact CE1-CD 4.36Å; Y95-K99 WeakPolarHBondContact O-CB 3.49Å; Y95-K99 PolarHBondContact O-N 2.9Å; R96-K99 PolarHBondContact O-N 3.2Å; K97-K99 VanDerWaalsContact C-N 3.31Å; K97-K99 PolarHBondContact O-N 3.28Å; K99-C101 VanDerWaalsContact C-N 3.31Å; K99-C101 PolarHBondContact O-N 2.93Å; K99-T102 PolarHBondContact O-N 3.13Å; K99-T102 PolarHBondContact O-OG1 2.99Å
100	S	70.2	Confident	68.7	Low	80 Å²	80	103.1 Å²	103.1	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-67.1	-31.5	177.6	63.7	0	0	0	0	112.9	R96 K97	R96-S100 PolarHBondContact O-N 3.09Å; R96-S100 VanDerWaalsContact O-N 3.16Å; K97-S100 PolarHBondContact O-N 3.18Å; K97-S100 PolarHBondContact O-OG 2.97Å
101	C	58.2	Low	66.3	Low	101 Å²	101	106.9 Å²	106.9	68%	0.682	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.9	179.5	-61.3	0	0	0	0	114.8	K97 K99	K97-C101 PolarHBondContact O-N 3.42Å; K97-C101 PolarHBondContact O-SG 3.48Å; K99-C101 VanDerWaalsContact C-N 3.31Å; K99-C101 PolarHBondContact O-N 2.93Å
102	T	52.7	Low	64.1	Low	42 Å²	42	114.8 Å²	114.8	26%	0.258	56%	0.558	S	S	.	*			trans	-113.8	30.9	-170.2	44	0	0	0	0	115	N98 K99 V104 R107	N98-T102 WeakPolarHBondContact O-CB 3.43Å; N98-T102 WeakPolarHBondContact O-CG2 3.44Å; N98-T102 PolarHBondContact O-N 2.83Å; N98-T102 PolarHBondContact O-OG1 3.3Å; K99-T102 PolarHBondContact O-N 3.13Å; K99-T102 PolarHBondContact O-OG1 2.99Å; T102-V104 PolarHBondContact O-N 3.12Å; T102-R107 VanDerWaalsContact CG2-CD 3.44Å; T102-R107 HydrophobicContact CG2-CG 4.46Å
103	N	51.1	Low	61.3	Low	148 Å²	148	122.1 Å²	122.1	79%	0.791	59%	0.59	S	S	*	*			trans	-71.7	14.3	171.8	-74.9	-26.7	0	0	0	114.8
104	V	51.5	Low	58.4	Low	120 Å²	120	127.7 Å²	127.7	73%	0.727	60%	0.604	S	S	*	*	S	Bend	trans	-126.4	90	175.9	-166	0	0	0	0	109.4	T102 D106	T102-V104 PolarHBondContact O-N 3.12Å; V104-D106 PolarHBondContact O-N 3.11Å
105	T	45.5	Very low	55.5	Low	134 Å²	134	127.9 Å²	127.9	82%	0.822	62%	0.616	S	S	*	*	S	Bend	trans	67.8	-9.3	149	55.4	0	0	0	0	124.6
106	D	43.4	Very low	53	Low	144 Å²	144	132.5 Å²	132.5	77%	0.77	65%	0.645	S	S	*	*			trans	-152.9	62.2	-165.1	-139.7	5	0	0	0	119.8	V104	V104-D106 PolarHBondContact O-N 3.11Å
107	R	44.6	Very low	50.3	Low	153 Å²	153	137.1 Å²	137.1	58%	0.577	67%	0.67	S	S	*	*			trans	-145.8	32.1	-177.2	-70.6	-163.6	-170.5	178.4	5.3	120.5	T102 Q109	T102-R107 VanDerWaalsContact CG2-CD 3.44Å; T102-R107 HydrophobicContact CG2-CG 4.46Å; R107-Q109 PolarHBondContact O-N 3.37Å; R107-Q109 VanDerWaalsContact O-N 3.13Å
108	K	39.6	Very low	47.4	Very low	215 Å²	215	139.1 Å²	139.1	94%	0.935	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	1	173.6	-84.4	-169.5	179.2	177.5	0	116.9
109	Q	42.5	Very low	44.6	Very low	127 Å²	127	146.1 Å²	146.1	59%	0.593	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	6.8	-175.9	-72.5	-171.7	4.3	0	0	118	R107 Y111	R107-Q109 PolarHBondContact O-N 3.37Å; R107-Q109 VanDerWaalsContact O-N 3.13Å; Q109-Y111 VanDerWaalsContact C-N 3.33Å; Q109-Y111 PolarHBondContact O-N 3.08Å
110	K	38.7	Very low	42.1	Very low	139 Å²	139	144.9 Å²	144.9	60%	0.604	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-14.2	-169	-152.2	163.8	-173.7	170	0	115.9
111	Y	43.5	Very low	40.3	Very low	169 Å²	169	150.8 Å²	150.8	66%	0.663	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-4.9	178.3	-72.2	-79.5	0	0	0	116.1	Q109	Q109-Y111 VanDerWaalsContact C-N 3.33Å; Q109-Y111 PolarHBondContact O-N 3.08Å
112	F	48	Very low	39	Very low	206 Å²	206	147.6 Å²	147.6	90%	0.904	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-4.6	173.2	-106.8	-80.5	0	0	0	114.7
113	K	33.8	Very low	38.4	Very low	156 Å²	156	147.6 Å²	147.6	68%	0.678	71%	0.712	S	S	*	*			trans	-122.3	16.1	-172	-82.1	-176.3	177.8	168.1	0	116.7	S115	K113-S115 PolarHBondContact O-N 2.95Å
114	R	30.9	Very low	37.4	Very low	214 Å²	214	143.9 Å²	143.9	81%	0.808	70%	0.697	S	S	*	*			trans	-74.4	98.4	165.4	-99.7	178.2	174.8	155.7	-3.2	108.9	L116	R114-L116 PolarHBondContact O-N 2.77Å
115	S	31.8	Very low	36.2	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	69%	0.693	S	S	*	*			trans	-30.8	124.8	157.7	174.7	0	0	0	0	109.6	K113 H117	K113-S115 PolarHBondContact O-N 2.95Å; S115-H117 PolarHBondContact O-N 3.09Å
116	L	37.7	Very low	35.1	Very low	177 Å²	177	142.3 Å²	142.3	93%	0.927	70%	0.695	S	S	*	*			trans	-54.3	84.4	174.1	-70.9	163.1	0	0	0	109.5	R114	R114-L116 PolarHBondContact O-N 2.77Å
117	H	33.9	Very low	34.3	Very low	177 Å²	177	142.1 Å²	142.1	82%	0.819	69%	0.692	S	S	*	*			trans	-107.1	104.4	172.8	-143	66.7	0	0	0	106.8	S115 K119	S115-H117 PolarHBondContact O-N 3.09Å; H117-K119 PolarHBondContact O-N 3.32Å
118	K	30	Very low	33.3	Very low	166 Å²	166	143.5 Å²	143.5	72%	0.722	70%	0.702	S	S	*	*	S	Bend	trans	-39.2	98.9	-175.5	-62.1	171.6	-179.2	176.4	0	112.6	D437	K118-D437 IonicContact NZ-OD1 3.73Å; K118-D437 IonicContact NZ-OD2 3.35Å; K118-D437 PolarHBondContact NZ-OD2 3.44Å
119	K	27.9	Very low	32.5	Very low	195 Å²	195	141 Å²	141	85%	0.848	70%	0.698	S	S	*	*			trans	-152.1	68.1	154.9	-96	-176.5	-177.6	179	0	107.4	H117 F121	H117-K119 PolarHBondContact O-N 3.32Å; K119-F121 PolarHBondContact O-N 3.21Å
120	S	27.7	Very low	31.5	Very low	82 Å²	82	141.3 Å²	141.3	57%	0.573	70%	0.703	S	S	*	*			trans	-74.7	90.1	-178.4	53.5	0	0	0	0	110.6	G122	S120-G122 VanDerWaalsContact C-N 3.27Å
121	F	33.1	Very low	30.7	Very low	204 Å²	204	143.3 Å²	143.3	90%	0.895	71%	0.714	S	S	*	*			trans	-93.1	69.2	148.2	-75.8	-84.9	0	0	0	107.2	K119	K119-F121 PolarHBondContact O-N 3.21Å
122	G	32.1	Very low	29.7	Very low	33 Å²	33	141.9 Å²	141.9	34%	0.34	72%	0.717	S	S	.	*	S	Bend	trans	-136.3	157.3	173.2	0	0	0	0	0	108.6	S120 C124	S120-G122 VanDerWaalsContact C-N 3.27Å; G122-C124 PolarHBondContact O-N 3.38Å
123	P	39	Very low	28.5	Very low	43 Å²	43	140.1 Å²	140.1	28%	0.279	71%	0.711	S	S	.	*	S	Bend	trans	-55.4	130	-173.9	-20.4	31.7	0	0	0	110.3	P53 H125	P53-P123 HydrophobicContact CG-CB 4.33Å; P123-H125 PolarHBondContact O-N 2.97Å
124	C	30.2	Very low	28	Very low	69 Å²	69	137.9 Å²	137.9	47%	0.466	71%	0.711	S	S	.	*			trans	-38.4	122.7	-162.8	-171.5	0	0	0	0	114.2	V56 G122 G126	V56-C124 HydrophobicContact CG2-CB 3.92Å; G122-C124 PolarHBondContact O-N 3.38Å; C124-G126 PolarHBondContact O-N 3.45Å
125	H	25.8	Very low	27.6	Very low	139 Å²	139	138.5 Å²	138.5	64%	0.644	72%	0.715	S	S	*	*			trans	-63.8	118.6	178.5	-67.1	-1.6	0	0	0	111.6	P123 I127	P123-H125 PolarHBondContact O-N 2.97Å; H125-I127 PolarHBondContact O-N 3.23Å
126	G	24	Very low	27.3	Very low	83 Å²	83	140 Å²	140	86%	0.856	72%	0.715	S	S	*	*			trans	44.8	71.6	148.2	0	0	0	0	0	117.3	C124	C124-G126 PolarHBondContact O-N 3.45Å
127	I	25.7	Very low	26.7	Very low	139 Å²	139	141.1 Å²	141.1	71%	0.713	71%	0.712	S	S	*	*			trans	-97	124.1	168	-58.8	179	0	0	0	109.3	H125 L129	H125-I127 PolarHBondContact O-N 3.23Å; I127-L129 PolarHBondContact O-N 3.03Å
128	K	24	Very low	26.2	Very low	182 Å²	182	138.4 Å²	138.4	79%	0.791	71%	0.713	S	S	*	*			trans	-61.1	122.9	175.1	-147.5	174.6	-173.1	179.5	0	108.8	L130	K128-L130 PolarHBondContact O-N 3.36Å
129	L	22.4	Very low	26	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	71%	0.711	S	S	*	*			trans	-51.3	105.1	174.5	-170.8	69	0	0	0	109.5	I127	I127-L129 PolarHBondContact O-N 3.03Å
130	L	22.4	Very low	25.7	Very low	134 Å²	134	131.5 Å²	131.5	70%	0.702	71%	0.706	S	S	*	*			trans	-85.7	127.5	173.2	-68.9	-178.6	0	0	0	108.8	K128 I132	K128-L130 PolarHBondContact O-N 3.36Å; L130-I132 PolarHBondContact O-N 3.43Å
131	H	21	Very low	25.7	Very low	182 Å²	182	133.6 Å²	133.6	84%	0.843	71%	0.711	S	S	*	*			trans	-56.5	118.1	178.1	-149.1	-135.9	0	0	0	109.2	E133	H131-E133 PolarHBondContact O-N 2.87Å; H131-E133 VanDerWaalsContact O-N 3.16Å
132	I	22.1	Very low	25.2	Very low	138 Å²	138	133 Å²	133	71%	0.708	71%	0.711	S	S	*	*			trans	-72.8	106.7	174.7	-64.4	168.3	0	0	0	106.6	L130 T134	L130-I132 PolarHBondContact O-N 3.43Å; I132-T134 PolarHBondContact O-N 3.24Å
133	E	23.1	Very low	24.8	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.794	73%	0.73	S	S	*	*			trans	-60	111.8	167.8	-71.2	180	176	0	0	108	H131 Y135	H131-E133 PolarHBondContact O-N 2.87Å; H131-E133 VanDerWaalsContact O-N 3.16Å; E133-Y135 PolarHBondContact O-N 2.9Å
134	T	23.7	Very low	24.2	Very low	108 Å²	108	143.7 Å²	143.7	66%	0.663	76%	0.757	S	S	*	*			trans	-67.7	119.1	179.6	-52.3	0	0	0	0	107.8	I132 N136	I132-T134 PolarHBondContact O-N 3.24Å; T134-N136 VanDerWaalsContact C-N 3.3Å; T134-N136 PolarHBondContact O-N 3.24Å
135	Y	21.7	Very low	23.9	Very low	228 Å²	228	148 Å²	148	89%	0.894	78%	0.775	S	S	*	*			trans	-59	88.1	171.9	-81.1	-96.3	0	0	0	110.4	E133	E133-Y135 PolarHBondContact O-N 2.9Å
136	N	27	Very low	24.1	Very low	129 Å²	129	149.1 Å²	149.1	69%	0.69	79%	0.785	S	S	*	*			trans	-119.4	83	167.4	-71.9	-26.9	0	0	0	108	T134 S138	T134-N136 VanDerWaalsContact C-N 3.3Å; T134-N136 PolarHBondContact O-N 3.24Å; N136-S138 PolarHBondContact O-N 3.39Å; N136-S138 VanDerWaalsContact O-N 3.09Å
137	K	24.2	Very low	24	Very low	201 Å²	201	148.4 Å²	148.4	87%	0.874	78%	0.779	S	S	*	*			trans	-68.8	101	160.1	-95.7	-177.7	175.7	179	0	107	T139	K137-T139 VanDerWaalsContact C-N 3.32Å; K137-T139 PolarHBondContact O-N 3.06Å
138	S	23.3	Very low	24	Very low	119 Å²	119	148.2 Å²	148.2	83%	0.832	78%	0.784	S	S	*	*			trans	-66.9	92.2	166.6	-57.2	0	0	0	0	108.6	N136 S140	N136-S138 PolarHBondContact O-N 3.39Å; N136-S138 VanDerWaalsContact O-N 3.09Å; S138-S140 PolarHBondContact O-N 2.96Å
139	T	25.3	Very low	24.1	Very low	110 Å²	110	145 Å²	145	68%	0.675	79%	0.785	S	S	*	*			trans	-70.8	110.3	169.1	-43.6	0	0	0	0	107.5	K137 N141	K137-T139 VanDerWaalsContact C-N 3.32Å; K137-T139 PolarHBondContact O-N 3.06Å; T139-N141 PolarHBondContact O-N 3.42Å
140	S	22.4	Very low	24	Very low	106 Å²	106	149 Å²	149	74%	0.741	79%	0.788	S	S	*	*			trans	-67.2	92.7	175.1	65.1	0	0	0	0	109.8	S138 Q142	S138-S140 PolarHBondContact O-N 2.96Å; S140-Q142 PolarHBondContact O-N 3.4Å
141	N	27	Very low	24.2	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	80%	0.795	S	S	*	*			trans	-85.3	104	166.9	-69.1	-13.4	0	0	0	107.8	T139 T143	T139-N141 PolarHBondContact O-N 3.42Å; N141-T143 PolarHBondContact O-N 3.31Å
142	Q	23.2	Very low	24.2	Very low	191 Å²	191	146.6 Å²	146.6	89%	0.893	79%	0.792	S	S	*	*			trans	-62.5	88.9	160	-68.3	-179.3	15.5	0	0	107.6	S140	S140-Q142 PolarHBondContact O-N 3.4Å
143	T	23.5	Very low	24.3	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	80%	0.795	S	S	*	*			trans	-100	116.2	168.2	-36.7	0	0	0	0	107.9	N141	N141-T143 PolarHBondContact O-N 3.31Å
144	Q	26.4	Very low	24.3	Very low	180 Å²	180	145.5 Å²	145.5	84%	0.841	79%	0.791	S	S	*	*			trans	-59.3	134.4	-177.4	-68.5	171.4	-9.4	0	0	111	N146	Q144-N146 PolarHBondContact O-N 2.96Å
145	N	24.7	Very low	24.1	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	80%	0.795	S	S	*	*			trans	-62.4	106.5	175.4	-61.4	-47.5	0	0	0	110.5
146	N	29.4	Very low	24.1	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	78%	0.784	S	S	*	*			trans	-112.2	95.7	153.5	-74.8	-19.1	0	0	0	106.7	Q144	Q144-N146 PolarHBondContact O-N 2.96Å
147	G	22.5	Very low	23.9	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	80%	0.795	S	S	*	*			trans	-66.9	148.3	-179.4	0	0	0	0	0	111.8
148	T	24.5	Very low	23.9	Very low	135 Å²	135	144.1 Å²	144.1	83%	0.828	79%	0.791	S	S	*	*			trans	-170.6	134.3	140.6	-75.6	0	0	0	0	108.6
149	S	27.2	Very low	24	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	79%	0.794	S	S	*	*			trans	78.9	87.9	161.8	-62.7	0	0	0	0	120
150	R	20.2	Very low	23.9	Very low	245 Å²	245	151.3 Å²	151.3	93%	0.925	81%	0.805	S	S	*	*			trans	-52.5	124.3	152.1	-170.5	-177.9	-158	169.8	3.3	113.2
151	S	26.4	Very low	23.8	Very low	119 Å²	119	154 Å²	154	83%	0.832	81%	0.81	S	S	*	*			trans	-157.1	117.4	143.1	52.1	0	0	0	0	111.1
152	N	20.7	Very low	23.7	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	82%	0.818	S	S	*	*			trans	-68.8	165.1	167.1	-78.4	-39.4	0	0	0	110.6
153	I	24.1	Very low	23.6	Very low	150 Å²	150	151.2 Å²	151.2	77%	0.769	81%	0.811	S	S	*	*			trans	136.6	100.6	134.1	-65.9	158.8	0	0	0	112.4
154	N	22.4	Very low	23.6	Very low	135 Å²	135	153.8 Å²	153.8	72%	0.722	82%	0.815	S	S	*	*				41.3	123.9	122.8	-54.4	-19.1	0	0	0	122.1
155	H	19.8	Very low	23.4	Very low	159 Å²	159	153.2 Å²	153.2	74%	0.736	81%	0.812	S	S	*	*				53.2	122.6	123	-75.7	-56.9	0	0	0	122.6
156	I	21.2	Very low	23.3	Very low	132 Å²	132	150.7 Å²	150.7	68%	0.677	80%	0.804	S	S	*	*			trans	65.9	102.7	133.4	-53.1	166.5	0	0	0	116.2
157	H	24.6	Very low	22.9	Very low	196 Å²	196	150 Å²	150	91%	0.907	81%	0.806	S	S	*	*			trans	-106.5	123.2	157.4	-82.7	-74.9	0	0	0	111
158	N	23.2	Very low	22.8	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	80%	0.804	S	S	*	*			trans	-61.2	144.7	178	-86.2	-45.1	0	0	0	113.6
159	L	24.5	Very low	22.7	Very low	171 Å²	171	154 Å²	154	90%	0.895	81%	0.807	S	S	*	*			trans	-58.8	129.6	165.2	-67.8	159.7	0	0	0	110.2
160	K	25.1	Very low	22.4	Very low	208 Å²	208	156 Å²	156	90%	0.904	81%	0.808	S	S	*	*			trans	-89.7	109	-175.6	-161.2	147.5	-177.7	174.2	0	109.6
161	L	19.4	Very low	22.6	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.7	123.2	168	-76.8	153.1	0	0	0	109.1
162	S	24.4	Very low	22.4	Very low	119 Å²	119	152.8 Å²	152.8	83%	0.832	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-98.9	124.9	166.1	52.8	0	0	0	0	109.6
163	N	21	Very low	22.4	Very low	141 Å²	141	149 Å²	149	75%	0.754	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.4	172.7	178.9	-75.5	-27.9	0	0	0	112.8
164	E	24.5	Very low	22.3	Very low	175 Å²	175	148.2 Å²	148.2	82%	0.818	81%	0.807	S	S	*	*			trans	93	125.3	160.8	-44.9	-159.7	-176.6	0	0	114.6
165	H	22.5	Very low	22.3	Very low	169 Å²	169	150.8 Å²	150.8	78%	0.782	82%	0.815	S	S	*	*			cis	-159.5	146.3	21.7	-138.3	7.6	0	0	0	109.7
166	P	21.1	Very low	22.5	Very low	106 Å²	106	150.6 Å²	150.6	69%	0.688	82%	0.819	S	S	*	*			trans	-96.6	134.7	-178	34.1	-28	0	0	0	113.1
167	V	21.3	Very low	22.5	Very low	148 Å²	148	153.3 Å²	153.3	90%	0.897	83%	0.829	S	S	*	*			trans	-115.7	112.1	166.3	177.9	0	0	0	0	108.9
168	S	19.7	Very low	22.5	Very low	96 Å²	96	149.2 Å²	149.2	67%	0.671	82%	0.82	S	S	*	*			trans	-90.5	124.7	178.5	-47.2	0	0	0	0	110.2
169	Q	23.7	Very low	22.6	Very low	192 Å²	192	149.6 Å²	149.6	90%	0.897	82%	0.821	S	S	*	*			trans	-144	106.4	148	-74.5	-164.1	-18.2	0	0	109.4
170	N	21.3	Very low	22.4	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	81%	0.814	S	S	*	*			trans	-79.5	128.2	169.7	-66.6	-58.7	0	0	0	108.9
171	L	24.4	Very low	22.4	Very low	178 Å²	178	144.5 Å²	144.5	93%	0.932	81%	0.809	S	S	*	*			trans	-129.2	110.3	152.3	-78.4	171.9	0	0	0	107.9
172	S	21.2	Very low	22.5	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	81%	0.81	S	S	*	*			trans	-77.8	145.7	178.8	49.7	0	0	0	0	112.3
173	G	20.1	Very low	22.4	Very low	68 Å²	68	148.8 Å²	148.8	70%	0.701	81%	0.813	S	S	*	*			trans	92.5	110.6	142.5	0	0	0	0	0	116.6
174	T	23.7	Very low	22.5	Very low	132 Å²	132	151.5 Å²	151.5	81%	0.81	82%	0.818	S	S	*	*				-171.7	110.8	124.6	24	0	0	0	0	108.3
175	E	20.7	Very low	22.4	Very low	190 Å²	190	149 Å²	149	89%	0.888	82%	0.817	S	S	*	*			trans	-66	128.2	168.4	-62.6	169.8	156.9	0	0	108.8
176	N	25.5	Very low	22.6	Very low	155 Å²	155	146 Å²	146	83%	0.829	81%	0.814	S	S	*	*			trans	-151.8	80.5	165	-77.3	-53.2	0	0	0	109
177	E	20.3	Very low	22.6	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	82%	0.823	S	S	*	*			trans	-90.8	139.4	142	-104.8	-168.4	150.1	0	0	105.6
178	P	24.5	Very low	23	Very low	111 Å²	111	149.8 Å²	149.8	72%	0.721	82%	0.818	S	S	*	*				-144.8	175.5	52.5	34.8	-13.5	0	0	0	113.7
179	L	24.8	Very low	23.3	Very low	159 Å²	159	150.1 Å²	150.1	83%	0.832	82%	0.82	S	S	*	*				170.7	105	128.7	-86.5	178.9	0	0	0	110.2
180	V	20.5	Very low	23.2	Very low	124 Å²	124	149 Å²	149	75%	0.752	82%	0.821	S	S	*	*			trans	-77.1	114.2	172.2	172	0	0	0	0	108.8	K182	V180-K182 HydrophobicContact CG1-CG 4.33Å
181	N	25	Very low	23.4	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	82%	0.819	S	S	*	*			trans	-110.6	93.1	164.9	-88.3	-17	0	0	0	109.9	L183	N181-L183 PolarHBondContact O-N 3.16Å
182	K	22.6	Very low	23.4	Very low	199 Å²	199	146 Å²	146	87%	0.865	82%	0.818	S	S	*	*			trans	-79.7	104.7	164.4	-88.3	179.9	175.6	175.1	0	108.6	V180	V180-K182 HydrophobicContact CG1-CG 4.33Å
183	L	22.7	Very low	23.4	Very low	171 Å²	171	148.1 Å²	148.1	90%	0.895	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.4	122.9	162.3	-87.9	109.1	0	0	0	109.7	N181	N181-L183 PolarHBondContact O-N 3.16Å
184	K	22.9	Very low	23.6	Very low	199 Å²	199	154.5 Å²	154.5	87%	0.865	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-91	153.5	173.4	-118.1	179.3	179.1	-177.9	0	110.2
185	P	22.8	Very low	23.5	Very low	123 Å²	123	158.4 Å²	158.4	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.9	137.6	-174.8	-4.7	23.9	0	0	0	112
186	S	25.2	Very low	23.9	Very low	104 Å²	104	154.7 Å²	154.7	73%	0.727	82%	0.816	S	S	*	*			trans	-95	110.8	175.1	-178.6	0	0	0	0	109.6
187	E	22.4	Very low	23.8	Very low	187 Å²	187	154 Å²	154	87%	0.874	82%	0.817	S	S	*	*			trans	-78.2	122.6	164.9	-65.7	175.3	163	0	0	108
188	N	28.6	Very low	23.8	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	81%	0.812	S	S	*	*			trans	-134.9	123.1	163.5	-84.4	-29	0	0	0	109.7
189	S	26.6	Very low	23.7	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	81%	0.813	S	S	*	*			trans	-38.6	133.9	176	49.5	0	0	0	0	118.1
190	D	22	Very low	23.8	Very low	168 Å²	168	149.9 Å²	149.9	90%	0.898	81%	0.813	S	S	*	*				24.6	105.2	127.9	-62.6	-41.2	0	0	0	118.6
191	G	25.8	Very low	23.8	Very low	78 Å²	78	155.1 Å²	155.1	80%	0.804	82%	0.82	S	S	*	*			trans	-137.1	93	161.7	0	0	0	0	0	109.8	F193	G191-F193 PolarHBondContact O-N 3.04Å
192	Q	22.8	Very low	23.9	Very low	193 Å²	193	156.7 Å²	156.7	90%	0.902	82%	0.823	S	S	*	*			trans	-65.5	121.9	166.6	-75.2	170.8	-8.7	0	0	109.5
193	F	21.9	Very low	24	Very low	162 Å²	162	152.3 Å²	152.3	71%	0.711	82%	0.817	S	S	*	*			trans	-164.7	132.8	142.9	-131.3	-140.1	0	0	0	115.9	G191	G191-F193 PolarHBondContact O-N 3.04Å
194	R	24.2	Very low	24.1	Very low	202 Å²	202	149.9 Å²	149.9	76%	0.762	81%	0.812	S	S	*	*			trans	66	104.5	149.9	-72.7	-177.5	178.8	169.9	7.2	119.9	S196	R194-S196 PolarHBondContact O-N 3.26Å
195	K	20.9	Very low	24.2	Very low	214 Å²	214	152.1 Å²	152.1	93%	0.93	82%	0.815	S	S	*	*			trans	-57.4	116.5	145.2	-66	174.5	177.6	178.1	0	109.4
196	S	29.9	Very low	24.1	Very low	113 Å²	113	154.9 Å²	154.9	79%	0.79	82%	0.817	S	S	*	*			trans	-110.3	125.8	158.8	48	0	0	0	0	108.9	R194	R194-S196 PolarHBondContact O-N 3.26Å
197	T	23.1	Very low	23.9	Very low	139 Å²	139	156.9 Å²	156.9	85%	0.853	82%	0.819	S	S	*	*			trans	-55.4	148.4	175.6	40.2	0	0	0	0	113.1
198	G	20.5	Very low	23.9	Very low	74 Å²	74	156 Å²	156	76%	0.763	82%	0.815	S	S	*	*			trans	-67.3	159.7	-171.2	0	0	0	0	0	116.2
199	V	23.6	Very low	23.4	Very low	124 Å²	124	153.8 Å²	153.8	75%	0.752	82%	0.817	S	S	*	*			trans	-148.2	117.8	162.4	175.8	0	0	0	0	107.8
200	Q	25.4	Very low	23.2	Very low	175 Å²	175	156.6 Å²	156.6	82%	0.818	82%	0.822	S	S	*	*			trans	67.2	120.1	144.7	-63.2	-178.1	-41.2	0	0	122.9
201	Y	21.1	Very low	23.2	Very low	234 Å²	234	154.2 Å²	154.2	92%	0.918	82%	0.816	S	S	*	*			trans	-51.3	126.1	146.1	-93.5	-108.8	0	0	0	111.1
202	E	27.2	Very low	22.9	Very low	180 Å²	180	156 Å²	156	84%	0.841	82%	0.816	S	S	*	*			trans	-116.7	127.7	152.5	-78.7	-165.8	162.3	0	0	109.1
203	S	24	Very low	22.8	Very low	107 Å²	107	159 Å²	159	75%	0.748	82%	0.819	S	S	*	*			trans	-76.7	150.7	-178	-177.7	0	0	0	0	111.5
204	P	26.4	Very low	22.8	Very low	121 Å²	121	159.6 Å²	159.6	79%	0.786	82%	0.824	S	S	*	*			trans	-63.4	136.7	-173.6	-23.2	35.2	0	0	0	114.6
205	R	24.7	Very low	22.7	Very low	245 Å²	245	159.4 Å²	159.4	93%	0.925	83%	0.829	S	S	*	*			trans	-83.8	115.5	171.2	-70.2	-176.4	-179.5	-164.3	0.2	110.4
206	E	20.4	Very low	22.9	Very low	181 Å²	181	155.7 Å²	155.7	85%	0.846	82%	0.824	S	S	*	*			trans	-77	126	156.8	-67.4	177.1	154.1	0	0	108.9
207	L	20	Very low	22.6	Very low	147 Å²	147	159.4 Å²	159.4	77%	0.77	83%	0.829	S	S	*	*			trans	-159.6	125.5	150	-87.4	-170.4	0	0	0	111.5
208	Q	23.6	Very low	22.5	Very low	169 Å²	169	160.4 Å²	160.4	79%	0.79	83%	0.829	S	S	*	*			trans	85.8	106.3	139.6	-69.2	171.9	-13.6	0	0	120.3
209	A	17.9	Very low	22.6	Very low	100 Å²	100	161.4 Å²	161.4	83%	0.826	82%	0.824	S	S	*	*			trans	-63.4	139.1	161.7	0	0	0	0	0	112.4
210	I	22.9	Very low	22.7	Very low	163 Å²	163	164.4 Å²	164.4	84%	0.836	83%	0.827	S	S	*	*			trans	-113.1	125.3	164.7	-63	176.9	0	0	0	107.7
211	P	21.2	Very low	22.7	Very low	118 Å²	118	163.9 Å²	163.9	77%	0.766	83%	0.83	S	S	*	*			trans	-71.3	159.2	-174	-22.4	34.3	0	0	0	117.5
212	S	19	Very low	22.8	Very low	116 Å²	116	162.3 Å²	162.3	81%	0.811	83%	0.831	S	S	*	*			trans	-42.4	139.3	178.5	-33.1	0	0	0	0	116.9
213	R	21.8	Very low	22.9	Very low	256 Å²	256	159.5 Å²	159.5	97%	0.966	83%	0.826	S	S	*	*			trans	-124.1	100.7	161.8	-144.2	174.6	-169.3	169.1	2.5	108.6
214	E	20.9	Very low	22.9	Very low	173 Å²	173	163.7 Å²	163.7	81%	0.808	83%	0.834	S	S	*	*			trans	-68.1	140.1	168.1	-64.9	171.1	163	0	0	110
215	K	22.5	Very low	22.8	Very low	199 Å²	199	165.9 Å²	165.9	87%	0.865	84%	0.839	S	S	*	*			trans	176	146.8	132.2	-97.5	168.6	-173.2	-172.7	0	113
216	T	25.6	Very low	22.8	Very low	136 Å²	136	158.5 Å²	158.5	83%	0.834	83%	0.83	S	S	*	*			trans	78.3	83.8	160.1	50.8	0	0	0	0	118.4
217	E	22.1	Very low	23	Very low	191 Å²	191	158 Å²	158	89%	0.893	83%	0.832	S	S	*	*			trans	-54.2	152.1	140.2	-66.1	172.3	157.9	0	0	111.7
218	N	21.8	Very low	23.3	Very low	159 Å²	159	157.7 Å²	157.7	85%	0.85	84%	0.836	S	S	*	*			trans	127.6	102.4	133.6	-149.1	11.6	0	0	0	113.7
219	S	23.2	Very low	23.3	Very low	95 Å²	95	154.7 Å²	154.7	66%	0.664	83%	0.833	S	S	*	*			trans	171.6	134.4	130.7	51.8	0	0	0	0	113.1
220	K	25.3	Very low	23.7	Very low	187 Å²	187	158.7 Å²	158.7	81%	0.813	84%	0.835	S	S	*	*			trans	73.7	92.4	151.2	-64.7	162.2	-177.3	-178.9	0	117.7
221	N	24.3	Very low	23.9	Very low	165 Å²	165	157.9 Å²	157.9	88%	0.882	84%	0.837	S	S	*	*			trans	-151.5	86.9	142	-81.8	-32.6	0	0	0	108.1
222	Q	24.9	Very low	24.3	Very low	201 Å²	201	158.5 Å²	158.5	94%	0.939	83%	0.834	S	S	*	*			trans	-101.9	92.6	172.1	-150.9	170.5	30.2	0	0	106.3
223	T	28.1	Very low	24.9	Very low	120 Å²	120	160.2 Å²	160.2	74%	0.736	83%	0.829	S	S	*	*			trans	-88.6	108.4	172.2	36.5	0	0	0	0	109.1	L225	T223-L225 PolarHBondContact O-N 2.92Å
224	E	24.9	Very low	25.3	Very low	196 Å²	196	154.5 Å²	154.5	92%	0.916	82%	0.818	S	S	*	*			trans	-65.8	110.1	168	-167.3	173.5	-176	0	0	109.1
225	L	23.3	Very low	25.6	Very low	167 Å²	167	153.2 Å²	153.2	87%	0.874	82%	0.816	S	S	*	*			trans	-115.1	93.9	174.6	-90.6	168	0	0	0	108.2	T223	T223-L225 PolarHBondContact O-N 2.92Å
226	A	26.2	Very low	25.9	Very low	89 Å²	89	150.8 Å²	150.8	74%	0.736	81%	0.812	S	S	*	*			trans	-171.3	113.2	156.6	0	0	0	0	0	108.3
227	L	23.6	Very low	25.9	Very low	171 Å²	171	151.1 Å²	151.1	90%	0.895	81%	0.808	S	S	*	*			trans	171.6	117.1	140.6	-90.2	-178.3	0	0	0	107.2
228	V	25.8	Very low	26	Very low	141 Å²	141	150 Å²	150	86%	0.855	80%	0.801	S	S	*	*			trans	155.1	90.4	139.8	173	0	0	0	0	106.8
229	S	24.5	Very low	26.2	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	80%	0.8	S	S	*	*			trans	-96.9	147.7	150.8	75	0	0	0	0	107.5
230	Q	26.2	Very low	26.4	Very low	184 Å²	184	150.2 Å²	150.2	86%	0.86	80%	0.803	S	S	*	*			trans	127	87.5	169.1	-73.7	175.6	6.1	0	0	111.3
231	V	26.5	Very low	26.3	Very low	146 Å²	146	149.6 Å²	149.6	89%	0.885	81%	0.808	S	S	*	*			trans	-121.4	125.8	153.7	178.2	0	0	0	0	106.7
232	D	29	Very low	26.4	Very low	131 Å²	131	147.1 Å²	147.1	70%	0.701	80%	0.804	S	S	*	*			trans	-69.3	128.4	-171	-129.4	-32.6	0	0	0	112	N234	D232-N234 PolarHBondContact O-N 3.39Å
233	E	32.1	Very low	26.5	Very low	152 Å²	152	144.9 Å²	144.9	71%	0.71	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-69	3.1	-175.5	-86.9	-77.2	162.8	0	0	114.9	L235	E233-L235 VanDerWaalsContact C-N 3.26Å; E233-L235 PolarHBondContact O-N 3.28Å
234	N	31.3	Very low	26.4	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-82.5	3.2	-177	-68.2	-37.2	0	0	0	114.3	D232	D232-N234 PolarHBondContact O-N 3.39Å
235	L	27.1	Very low	26.7	Very low	147 Å²	147	142 Å²	142	77%	0.77	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-86.3	-10.5	179.7	-141.9	86.5	0	0	0	114.3	E233	E233-L235 VanDerWaalsContact C-N 3.26Å; E233-L235 PolarHBondContact O-N 3.28Å
236	L	27.8	Very low	27.1	Very low	148 Å²	148	140.6 Å²	140.6	78%	0.775	78%	0.779	S	S	*	*	S	Bend	trans	-93.8	13.6	-173.1	-73.1	178.2	0	0	0	115.4
237	N	25.6	Very low	27.1	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	79%	0.787	S	S	*	*			trans	-117.6	56.4	-179.6	-125.7	2.8	0	0	0	112.5
238	F	24.4	Very low	27.3	Very low	169 Å²	169	143.3 Å²	143.3	74%	0.741	78%	0.777	S	S	*	*			trans	-114.1	78.7	163.3	-81.8	-75.1	0	0	0	110.2	L240	F238-L240 HydrophobicContact CD1-CD1 4.44Å; F238-L240 PolarHBondContact O-N 2.94Å
239	S	26.4	Very low	27.4	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	78%	0.775	S	S	*	*			trans	-67.3	80.8	161.5	-64.2	0	0	0	0	109.5
240	L	26.6	Very low	27.4	Very low	139 Å²	139	144.2 Å²	144.2	73%	0.728	78%	0.778	S	S	*	*			trans	-117.2	19.8	177.3	-118	167.3	0	0	0	113.2	F238	F238-L240 HydrophobicContact CD1-CD1 4.44Å; F238-L240 PolarHBondContact O-N 2.94Å
241	L	24.9	Very low	27.3	Very low	174 Å²	174	142 Å²	142	91%	0.911	77%	0.77	S	S	*	*			trans	-127.7	52.5	175.3	-67.4	172.5	0	0	0	111.2
242	S	26.4	Very low	27.2	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	77%	0.771	S	S	*	*	S	Bend	trans	-123.7	118.9	158.1	-80	0	0	0	0	107.9	S244	S242-S244 PolarHBondContact O-N 3Å
243	N	26.8	Very low	27.1	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	77%	0.774	S	S	*	*			trans	-56.4	100.1	173.3	-59.8	-38.8	0	0	0	108.2	E245	N243-E245 PolarHBondContact O-N 2.82Å
244	S	26.2	Very low	26.8	Very low	89 Å²	89	151 Å²	151	62%	0.622	78%	0.783	S	S	*	*			trans	-77.2	115.8	174.5	82.8	0	0	0	0	108.7	S242 D246	S242-S244 PolarHBondContact O-N 3Å; S244-D246 PolarHBondContact O-N 3.3Å
245	E	30.7	Very low	26.6	Very low	166 Å²	166	151 Å²	151	78%	0.776	79%	0.788	S	S	*	*			trans	-68.9	22.7	170.3	-70	173.5	145.2	0	0	112.4	N243 F247	N243-E245 PolarHBondContact O-N 2.82Å; E245-F247 VanDerWaalsContact C-N 3.28Å; E245-F247 PolarHBondContact O-N 2.91Å
246	D	30.7	Very low	26.4	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	1	-173.5	-74.9	-33.2	0	0	0	114.3	S244	S244-D246 PolarHBondContact O-N 3.3Å
247	F	25.8	Very low	26.3	Very low	204 Å²	204	152.1 Å²	152.1	90%	0.895	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.3	-179.7	-130.3	-92.1	0	0	0	115.2	E245	E245-F247 VanDerWaalsContact C-N 3.28Å; E245-F247 PolarHBondContact O-N 2.91Å
248	T	27.7	Very low	26.2	Very low	112 Å²	112	152.1 Å²	152.1	69%	0.687	80%	0.799	S	S	*	*	S	Bend	trans	-101.1	-2.7	-172.8	44.4	0	0	0	0	116.3
249	N	28	Very low	26.3	Very low	151 Å²	151	148.4 Å²	148.4	81%	0.807	80%	0.8	S	S	*	*	S	Bend	trans	-99.1	1.2	-177.5	-75.2	-24	0	0	0	116.1
250	S	25.4	Very low	26.3	Very low	114 Å²	114	152.1 Å²	152.1	80%	0.797	80%	0.801	S	S	*	*	S	Bend	trans	-93.7	-14.1	179.8	-162.1	0	0	0	0	115
251	I	24.2	Very low	26	Very low	137 Å²	137	150.8 Å²	150.8	70%	0.703	80%	0.803	S	S	*	*			trans	-125.5	62.1	-177.7	-44.8	-175.8	0	0	0	111.1	F253	I251-F253 HydrophobicContact CG2-CD2 3.81Å; I251-F253 HydrophobicContact CG2-CE2 3.79Å
252	R	24.8	Very low	26.2	Very low	238 Å²	238	153.6 Å²	153.6	90%	0.898	80%	0.804	S	S	*	*			trans	-117.2	87.6	152.5	-168.6	173.5	-95.3	-178.9	-5.1	107.9
253	F	25.7	Very low	26	Very low	173 Å²	173	151.3 Å²	151.3	76%	0.759	80%	0.798	S	S	*	*			trans	-52.8	140	174	-85.3	-86.5	0	0	0	111	I251 T255	I251-F253 HydrophobicContact CG2-CD2 3.81Å; I251-F253 HydrophobicContact CG2-CE2 3.79Å; F253-T255 PolarHBondContact O-N 2.96Å
254	K	25.4	Very low	26.1	Very low	209 Å²	209	154.5 Å²	154.5	91%	0.909	81%	0.805	S	S	*	*			trans	-40.7	96.6	168.2	-64.2	169.8	175	177.8	0	111.9
255	T	27.4	Very low	26	Very low	136 Å²	136	155.1 Å²	155.1	83%	0.834	81%	0.809	S	S	*	*			trans	-111.4	102.1	148.6	40.9	0	0	0	0	107.5	F253 N257	F253-T255 PolarHBondContact O-N 2.96Å; T255-N257 PolarHBondContact O-N 3.06Å
256	L	23	Very low	25.9	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	81%	0.812	S	S	*	*			trans	-53.7	120.8	168.4	-161.1	91	0	0	0	109.2
257	N	26.7	Very low	26.1	Very low	160 Å²	160	155 Å²	155	86%	0.856	81%	0.813	S	S	*	*			trans	-159.7	116.5	145.3	-100.7	-27.1	0	0	0	110.1	T255 A259	T255-N257 PolarHBondContact O-N 3.06Å; N257-A259 PolarHBondContact O-N 3.45Å
258	V	22.3	Very low	26.5	Very low	142 Å²	142	151.1 Å²	151.1	86%	0.861	81%	0.806	S	S	*	*			trans	-65.5	111.8	177.2	173.4	0	0	0	0	108.8
259	A	28.3	Very low	26.7	Very low	91 Å²	91	151.8 Å²	151.8	75%	0.752	80%	0.801	S	S	*	*			trans	-135.2	93.2	167.2	0	0	0	0	0	110.4	N257	N257-A259 PolarHBondContact O-N 3.45Å
260	K	25.4	Very low	26.9	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	80%	0.796	S	S	*	*			trans	40.7	103.8	142.6	-64	179.1	178.7	178.7	0	119	Y262	K260-Y262 PolarHBondContact O-N 3.39Å
261	S	21.2	Very low	27.3	Very low	111 Å²	111	153 Å²	153	78%	0.776	79%	0.794	S	S	*	*			trans	-14.6	117.6	137	160.1	0	0	0	0	115.9
262	Y	27.2	Very low	27.6	Very low	233 Å²	233	153.1 Å²	153.1	91%	0.914	79%	0.793	S	S	*	*			trans	-147.1	127.7	135.9	-96.1	-81.5	0	0	0	108.1	K260	K260-Y262 PolarHBondContact O-N 3.39Å
263	G	23.5	Very low	28	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	78%	0.78	S	S	*	*			trans	-79.1	150.1	-177.9	0	0	0	0	0	113.1
264	F	27.5	Very low	28.5	Very low	220 Å²	220	144.2 Å²	144.2	97%	0.965	78%	0.779	S	S	*	*			trans	-143.5	111	149.7	-124.6	-91.1	0	0	0	107
265	S	25.6	Very low	28.7	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	77%	0.77	S	S	*	*			trans	-92.2	160.6	173.8	50.8	0	0	0	0	110.1
266	E	28.9	Very low	28.7	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	77%	0.769	S	S	*	*			trans	92.4	104.7	151.5	-148.3	162	-150	0	0	117.1
267	T	34.4	Very low	28.8	Very low	123 Å²	123	138.4 Å²	138.4	76%	0.755	76%	0.759	S	S	*	*			trans	170.6	7	145.8	31.8	0	0	0	0	114.5	Q269	T267-Q269 VanDerWaalsContact C-N 3.31Å; T267-Q269 PolarHBondContact O-N 2.76Å
268	V	33.7	Very low	28.9	Very low	123 Å²	123	140.6 Å²	140.6	75%	0.745	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-3.2	-175.8	-173.1	0	0	0	0	114.1
269	Q	32.9	Very low	28.9	Very low	126 Å²	126	144 Å²	144	59%	0.589	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-17.6	-174.8	-163.3	55	60.6	0	0	114.3	T267	T267-Q269 VanDerWaalsContact C-N 3.31Å; T267-Q269 PolarHBondContact O-N 2.76Å
270	D	31.2	Very low	28.8	Very low	129 Å²	129	145 Å²	145	69%	0.69	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-23.4	-178.3	-72.2	-23.5	0	0	0	113.4	M272	D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.97Å
271	E	33.4	Very low	28.9	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.752	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-23.9	174.3	-87.6	-173.2	145.9	0	0	112.9
272	M	31.3	Very low	29	Very low	139 Å²	139	147.3 Å²	147.3	69%	0.685	76%	0.758	S	S	*	*	S	Bend	trans	-81.4	-17.6	-174.9	-150.9	146.8	-177.4	0	0	113.4	D270	D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.97Å
273	N	33	Very low	28.8	Very low	118 Å²	118	143.6 Å²	143.6	63%	0.631	75%	0.754	S	S	*	*	S	Bend	trans	-96.4	-8.9	-176.5	-71.8	-20	0	0	0	114.7
274	S	36.3	Very low	28.9	Very low	106 Å²	106	148.7 Å²	148.7	74%	0.741	76%	0.761	S	S	*	*	S	Bend	trans	-82.8	-8	175.5	-68.3	0	0	0	0	114.7
275	I	29.7	Very low	28.7	Very low	140 Å²	140	145.9 Å²	145.9	72%	0.718	76%	0.756	S	S	*	*	S	Bend	trans	-94.3	-12.5	-172.4	-60.4	178.9	0	0	0	113.6
276	N	27.7	Very low	28.5	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	76%	0.763	S	S	*	*	S	Bend	trans	-104.1	12.4	-171.1	-84.7	-22.7	0	0	0	117.2
277	C	24.9	Very low	28.4	Very low	91 Å²	91	149 Å²	149	62%	0.615	77%	0.766	S	S	*	*	S	Bend	trans	-105.2	125.8	174.8	-90.7	0	0	0	0	112.5
278	Y	28.4	Very low	27.9	Very low	206 Å²	206	149.7 Å²	149.7	81%	0.808	77%	0.77	S	S	*	*			trans	90.3	57.9	165.8	-43.7	-64.1	0	0	0	118.1	T280	Y278-T280 VanDerWaalsContact C-N 3.33Å; Y278-T280 PolarHBondContact O-N 3.3Å
279	K	22.7	Very low	27.6	Very low	212 Å²	212	147.4 Å²	147.4	92%	0.922	77%	0.771	S	S	*	*			trans	-85.2	70.1	152.7	-159.6	177.3	-169.4	176.7	0	109.7
280	T	25.7	Very low	27	Very low	114 Å²	114	152.6 Å²	152.6	70%	0.699	79%	0.787	S	S	*	*			trans	-160.4	125.7	170.9	7.8	0	0	0	0	113.9	Y278	Y278-T280 VanDerWaalsContact C-N 3.33Å; Y278-T280 PolarHBondContact O-N 3.3Å
281	K	27.2	Very low	26.6	Very low	198 Å²	198	151.9 Å²	151.9	86%	0.861	79%	0.792	S	S	*	*			trans	73.4	78.9	158.7	-64	173.7	177.8	176.7	0	118.4
282	I	23.2	Very low	26.2	Very low	157 Å²	157	150.4 Å²	150.4	81%	0.805	79%	0.794	S	S	*	*			trans	-132.1	96.4	142	-59.1	179.8	0	0	0	107.3
283	N	22.8	Very low	25.8	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	81%	0.805	S	S	*	*			trans	-141.8	135.2	162.7	-147.3	-12.9	0	0	0	104.3
284	Q	25.7	Very low	25.6	Very low	174 Å²	174	158 Å²	158	81%	0.813	82%	0.815	S	S	*	*	S	Bend	trans	94	77.3	-170	-54.2	-177.9	-7.9	0	0	116.1
285	N	24.4	Very low	24.7	Very low	161 Å²	161	164.9 Å²	164.9	86%	0.861	83%	0.825	S	S	*	*				176.7	74.4	117.2	-92.3	-12.8	0	0	0	109.4
286	M	22.1	Very low	24.6	Very low	176 Å²	176	163.4 Å²	163.4	87%	0.867	83%	0.827	S	S	*	*			trans	-74.5	149.1	154.4	-69.2	-72.8	-154.3	0	0	107.7
287	L	25	Very low	24.5	Very low	171 Å²	171	165 Å²	165	90%	0.895	83%	0.83	S	S	*	*			trans	87.7	75.8	-174.9	-64.9	101.6	0	0	0	115.9
288	T	25.7	Very low	24.3	Very low	136 Å²	136	169.4 Å²	169.4	83%	0.834	84%	0.842	S	S	*	*			trans	-119.5	103.4	139.1	42.6	0	0	0	0	107.5
289	G	25.8	Very low	24.1	Very low	75 Å²	75	164.8 Å²	164.8	77%	0.773	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-66.6	134.1	174.6	0	0	0	0	0	110	S291	G289-S291 PolarHBondContact O-N 3.47Å
290	Y	21.6	Very low	24.4	Very low	235 Å²	235	162.4 Å²	162.4	92%	0.922	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-61.6	120.4	172.6	-80.8	-97.2	0	0	0	109.7
291	S	22.2	Very low	24.3	Very low	115 Å²	115	164.2 Å²	164.2	80%	0.804	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-86.1	128.9	170.7	174.3	0	0	0	0	109.7	G289	G289-S291 PolarHBondContact O-N 3.47Å
292	V	24.7	Very low	24.4	Very low	129 Å²	129	162 Å²	162	78%	0.782	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-80.6	131.6	177.8	173.5	0	0	0	0	108.8	E294	V292-E294 PolarHBondContact O-N 2.9Å; V292-E294 VanDerWaalsContact O-N 3.12Å
293	Y	23.8	Very low	24.5	Very low	233 Å²	233	163.1 Å²	163.1	91%	0.914	84%	0.84	S	S	*	*			trans	-59.4	107.6	175.1	-92.4	-100.9	0	0	0	111.1
294	E	27.2	Very low	24.8	Very low	183 Å²	183	162.1 Å²	162.1	86%	0.855	83%	0.834	S	S	*	*			trans	-104.2	133.2	155.7	-86.2	-172.6	165.7	0	0	109.7	V292	V292-E294 PolarHBondContact O-N 2.9Å; V292-E294 VanDerWaalsContact O-N 3.12Å
295	R	19	Very low	24.8	Very low	252 Å²	252	159.2 Å²	159.2	95%	0.951	83%	0.828	S	S	*	*			trans	-106.9	105.6	-169.2	-164.2	-176.9	-153	178.5	5	106.4
296	S	26.7	Very low	24.9	Very low	109 Å²	109	158.6 Å²	158.6	76%	0.762	83%	0.825	S	S	*	*			trans	-136.6	100.3	177.3	48.7	0	0	0	0	110.5
297	E	24.8	Very low	25.2	Very low	183 Å²	183	158 Å²	158	86%	0.855	82%	0.824	S	S	*	*			trans	28.6	112.6	133.4	-62.9	175.4	-179.3	0	0	119.1
298	E	21.9	Very low	25.3	Very low	184 Å²	184	154.9 Å²	154.9	86%	0.86	82%	0.815	S	S	*	*			trans	33.8	114.2	130.3	-62	178.4	175.1	0	0	118.7
299	S	24.9	Very low	25.3	Very low	108 Å²	108	156.7 Å²	156.7	76%	0.755	82%	0.82	S	S	*	*				171.1	133.5	120.3	43.3	0	0	0	0	114.1
300	I	27.7	Very low	25.6	Very low	162 Å²	162	156.9 Å²	156.9	83%	0.831	81%	0.809	S	S	*	*			trans	78.4	110.9	146.6	-58.3	157.3	0	0	0	118.6
301	N	23.3	Very low	25.9	Very low	152 Å²	152	153.4 Å²	153.4	81%	0.813	81%	0.807	S	S	*	*			trans	-44.3	130.5	165.5	-57.8	-28.6	0	0	0	113.3
302	N	30.2	Very low	26.2	Very low	151 Å²	151	155.9 Å²	155.9	81%	0.807	81%	0.809	S	S	*	*			trans	-140.4	101.6	151.4	-126.9	-2.1	0	0	0	108.6	N304	N302-N304 PolarHBondContact O-N 3.42Å
303	E	24.5	Very low	26.7	Very low	182 Å²	182	155.1 Å²	155.1	85%	0.85	81%	0.81	S	S	*	*			trans	-66.7	117.8	165.9	-65.9	173.7	154.3	0	0	108
304	N	29.4	Very low	27.2	Very low	133 Å²	133	150.9 Å²	150.9	71%	0.711	81%	0.807	S	S	*	*			trans	-155.7	98.3	156.6	-86.4	-43.4	0	0	0	109.5	N302	N302-N304 PolarHBondContact O-N 3.42Å
305	T	27.1	Very low	27.5	Very low	113 Å²	113	149.5 Å²	149.5	69%	0.693	80%	0.801	S	S	*	*			trans	45.2	108.4	131	57.6	0	0	0	0	119.1
306	D	25.3	Very low	28.3	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	80%	0.795	S	S	*	*				63.1	147.7	122.4	-66.3	-34.3	0	0	0	121.4
307	I	28.6	Very low	28.9	Very low	164 Å²	164	146.1 Å²	146.1	84%	0.841	79%	0.788	S	S	*	*			trans	90.1	84.7	162.1	-42.1	171.8	0	0	0	115.1
308	C	27.3	Very low	29.6	Very low	105 Å²	105	143.6 Å²	143.6	71%	0.709	78%	0.78	S	S	*	*				168	95.1	96.4	-161.3	0	0	0	0	109.5	S310	C308-S310 PolarHBondContact O-N 2.97Å
309	N	25.3	Very low	30.4	Very low	173 Å²	173	141.5 Å²	141.5	93%	0.925	77%	0.77	S	S	*	*			trans	-75.5	107.8	160.8	-74.2	-41.6	0	0	0	107.9
310	S	32.4	Very low	31.2	Very low	80 Å²	80	141.1 Å²	141.1	56%	0.559	76%	0.764	S	S	*	*			trans	-145.1	92.6	156.9	48.2	0	0	0	0	110.3	C308 I312	C308-S310 PolarHBondContact O-N 2.97Å; S310-I312 PolarHBondContact O-N 3.14Å
311	D	26.9	Very low	32.1	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	75%	0.747	S	S	*	*			trans	53.4	52.2	130.8	-59.4	-21.5	0	0	0	120.2
312	I	29.9	Very low	33.5	Very low	168 Å²	168	136.1 Å²	136.1	86%	0.862	74%	0.737	S	S	*	*			trans	-121.3	61.6	159	-47	177.8	0	0	0	109.6	S310	S310-I312 PolarHBondContact O-N 3.14Å
313	S	34.1	Very low	34.4	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	72%	0.716	S	S	*	*			trans	-128.1	24.5	-175.4	-170.2	0	0	0	0	115.7
314	V	34.9	Very low	36.7	Very low	143 Å²	143	125.1 Å²	125.1	87%	0.867	70%	0.698	S	S	*	*	S	Bend	trans	-121.7	-19.2	179.7	-172.1	0	0	0	0	116.1
315	H	32.8	Very low	38.8	Very low	155 Å²	155	122.8 Å²	122.8	72%	0.718	69%	0.685	S	S	*	*	S	Bend	trans	-101.6	-11.6	-166.4	-132.5	-38.9	0	0	0	119.1
316	N	36.1	Very low	40.6	Very low	154 Å²	154	121 Å²	121	82%	0.824	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-6	-169.5	-72.3	-11.8	0	0	0	116.4
317	H	40.5	Very low	42	Very low	135 Å²	135	118.9 Å²	118.9	63%	0.625	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-3.8	-175.3	-160.2	64.2	0	0	0	115.3
318	L	38.4	Very low	44.4	Very low	130 Å²	130	114.6 Å²	114.6	68%	0.681	65%	0.645	S	S	*	*	S	Bend	trans	-98.3	-25.4	-170.7	-149.1	68.1	0	0	0	115.2
319	Q	39.8	Very low	47.2	Very low	141 Å²	141	117 Å²	117	66%	0.659	64%	0.643	S	S	*	*	H	α-helix	trans	-83	-22.2	-174.5	-79.5	178.6	-0.2	0	0	114.9	K321 T322	Q319-K321 VanDerWaalsContact C-N 3.35Å; Q319-T322 PolarHBondContact O-OG1 3.04Å
320	T	40.7	Very low	48.9	Very low	100 Å²	100	113.2 Å²	113.2	61%	0.613	62%	0.622	S	S	*	*	H	α-helix	trans	-74.6	-26.4	177.6	53.9	0	0	0	0	112.7	S324	T320-S324 WeakPolarHBondContact O-CB 3.49Å; T320-S324 PolarHBondContact O-N 2.97Å
321	K	46.7	Very low	50.6	Low	112 Å²	112	113.6 Å²	113.6	49%	0.487	62%	0.618	S	S	.	*	H	α-helix	trans	-70.4	-40.8	-180	-78.1	-177.8	176.9	175.6	0	112.7	Q319 S324 D325	Q319-K321 VanDerWaalsContact C-N 3.35Å; K321-S324 PolarHBondContact O-N 3.36Å; K321-D325 WeakPolarHBondContact O-CB 3.46Å; K321-D325 PolarHBondContact O-N 3Å
322	T	52.9	Low	53.5	Low	96 Å²	96	113 Å²	113	59%	0.589	61%	0.607	S	S	*	*	H	α-helix	trans	-70.3	-40.5	-172.9	55.1	0	0	0	0	113.4	Q319 D325 C326	Q319-T322 PolarHBondContact O-OG1 3.04Å; T322-D325 PolarHBondContact O-N 2.86Å; T322-C326 PolarHBondContact O-N 3.49Å; T322-C326 VanDerWaalsContact O-N 3.13Å
323	G	49.3	Very low	56.1	Low	37 Å²	37	111 Å²	111	38%	0.381	59%	0.592	S	S	.	*	H	α-helix	trans	-68.7	-36.1	174.7	0	0	0	0	0	113	C326 M327	G323-C326 PolarHBondContact O-SG 3.28Å; G323-M327 PolarHBondContact O-N 3.32Å
324	S	71.7	Confident	57.7	Low	66 Å²	66	111 Å²	111	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-42.1	173	-179.8	0	0	0	0	111.6	T320 K321 M327 T328	T320-S324 WeakPolarHBondContact O-CB 3.49Å; T320-S324 PolarHBondContact O-N 2.97Å; K321-S324 PolarHBondContact O-N 3.36Å; S324-M327 PolarHBondContact O-N 3.16Å; S324-T328 VanDerWaalsContact O-CG2 3.32Å; S324-T328 WeakPolarHBondContact O-CG2 3.15Å; S324-T328 PolarHBondContact O-N 2.99Å; S324-T328 PolarHBondContact O-OG1 3.42Å
325	D	73.3	Confident	59.7	Low	84 Å²	84	110.3 Å²	110.3	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-69	-35.3	-178.5	-70.9	-11.7	0	0	0	112.9	K321 T322 T328 K329	K321-D325 WeakPolarHBondContact O-CB 3.46Å; K321-D325 PolarHBondContact O-N 3Å; T322-D325 PolarHBondContact O-N 2.86Å; D325-T328 WeakPolarHBondContact CA-OG1 3.18Å; D325-T328 PolarHBondContact O-OG1 3.29Å; D325-K329 WeakPolarHBondContact O-CB 3.26Å; D325-K329 VanDerWaalsContact O-CG 3.26Å; D325-K329 WeakPolarHBondContact O-CG 3.3Å; D325-K329 PolarHBondContact O-N 2.94Å; D325-K329 VanDerWaalsContact O-N 3.11Å
326	C	65.7	Low	62.1	Low	74 Å²	74	108.2 Å²	108.2	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-70.1	-39.8	176.5	74.7	0	0	0	0	111.9	T322 G323 K329 L330	T322-C326 PolarHBondContact O-N 3.49Å; T322-C326 VanDerWaalsContact O-N 3.13Å; G323-C326 PolarHBondContact O-SG 3.28Å; C326-K329 PolarHBondContact O-N 3.33Å; C326-L330 PolarHBondContact O-N 2.68Å
327	M	55.5	Low	64.1	Low	106 Å²	106	104.2 Å²	104.2	52%	0.522	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-42.3	176.9	-76.9	-59.9	-62.1	0	0	112.2	G323 S324 L330 L331	G323-M327 PolarHBondContact O-N 3.32Å; S324-M327 PolarHBondContact O-N 3.16Å; M327-L330 PolarHBondContact O-N 3.1Å; M327-L331 WeakPolarHBondContact O-CG 3.43Å; M327-L331 PolarHBondContact O-N 3.06Å
328	T	78.6	Confident	65.8	Low	74 Å²	74	101 Å²	101	45%	0.454	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-38.6	176.7	52.2	0	0	0	0	112.2	S324 D325 L330 L331 K332	S324-T328 VanDerWaalsContact O-CG2 3.32Å; S324-T328 WeakPolarHBondContact O-CG2 3.15Å; S324-T328 PolarHBondContact O-N 2.99Å; S324-T328 PolarHBondContact O-OG1 3.42Å; D325-T328 WeakPolarHBondContact CA-OG1 3.18Å; D325-T328 PolarHBondContact O-OG1 3.29Å; T328-L330 PolarHBondContact O-N 3.04Å; T328-L331 PolarHBondContact O-N 3.23Å; T328-K332 VanDerWaalsContact O-CB 3.32Å; T328-K332 WeakPolarHBondContact O-CB 3.21Å; T328-K332 PolarHBondContact O-N 3.42Å
329	K	86	Confident	67.8	Low	154 Å²	154	100.9 Å²	100.9	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-61.3	-42.1	172.6	-76.8	173.8	-176.6	176.5	0	112.3	D325 C326 K333	D325-K329 WeakPolarHBondContact O-CB 3.26Å; D325-K329 VanDerWaalsContact O-CG 3.26Å; D325-K329 WeakPolarHBondContact O-CG 3.3Å; D325-K329 PolarHBondContact O-N 2.94Å; D325-K329 VanDerWaalsContact O-N 3.11Å; C326-K329 PolarHBondContact O-N 3.33Å; K329-K333 WeakPolarHBondContact O-CB 3.03Å; K329-K333 PolarHBondContact O-N 2.89Å; K329-K333 VanDerWaalsContact O-N 3.08Å
330	L	61.1	Low	69.7	Low	94 Å²	94	98.2 Å²	98.2	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-49.6	177.5	-179.7	64	0	0	0	111.3	C326 M327 T328 K332 K333 M334	C326-L330 PolarHBondContact O-N 2.68Å; M327-L330 PolarHBondContact O-N 3.1Å; T328-L330 PolarHBondContact O-N 3.04Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.43Å; L330-K333 PolarHBondContact O-N 3.26Å; L330-K333 VanDerWaalsContact O-N 3.13Å; L330-M334 HydrophobicContact CG-SD 4.35Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 2.98Å
331	L	68.1	Low	71.3	Confident	89 Å²	89	94.9 Å²	94.9	47%	0.466	49%	0.486	S	S	.	.	H	α-helix	trans	-57.9	-46.6	178	-74.3	170.6	0	0	0	111.4	M327 T328 K333 M334 E335	M327-L331 WeakPolarHBondContact O-CG 3.43Å; M327-L331 PolarHBondContact O-N 3.06Å; T328-L331 PolarHBondContact O-N 3.23Å; L331-K333 VanDerWaalsContact C-N 3.28Å; L331-K333 PolarHBondContact O-N 2.99Å; L331-M334 WeakPolarHBondContact O-CB 3.32Å; L331-M334 PolarHBondContact O-N 3.43Å; L331-M334 VanDerWaalsContact O-N 3.08Å; L331-E335 WeakPolarHBondContact O-CG 3.17Å; L331-E335 PolarHBondContact O-N 3.2Å
332	K	88.2	Confident	72.7	Confident	149 Å²	149	91.2 Å²	91.2	65%	0.648	47%	0.472	S	S	*	.	H	α-helix	trans	-59.2	-38.9	176.7	-172.1	175.7	-177.8	177.7	0	112.5	T328 L330 Q336	T328-K332 VanDerWaalsContact O-CB 3.32Å; T328-K332 WeakPolarHBondContact O-CB 3.21Å; T328-K332 PolarHBondContact O-N 3.42Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.43Å; K332-Q336 WeakPolarHBondContact O-CB 3.43Å; K332-Q336 PolarHBondContact O-N 3.42Å
333	K	84.3	Confident	74	Confident	124 Å²	124	88.6 Å²	88.6	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-69.5	-36.7	176.1	-167.7	170.5	-175.7	174.9	0	111.9	K329 L330 L331 N337	K329-K333 WeakPolarHBondContact O-CB 3.03Å; K329-K333 PolarHBondContact O-N 2.89Å; K329-K333 VanDerWaalsContact O-N 3.08Å; L330-K333 PolarHBondContact O-N 3.26Å; L330-K333 VanDerWaalsContact O-N 3.13Å; L331-K333 VanDerWaalsContact C-N 3.28Å; L331-K333 PolarHBondContact O-N 2.99Å; K333-N337 WeakPolarHBondContact O-CB 2.88Å; K333-N337 PolarHBondContact O-N 2.85Å; K333-N337 PolarHBondContact O-ND2 3.26Å; K333-N337 PolarHBondContact O-OD1 3.03Å
334	M	66.9	Low	75.4	Confident	115 Å²	115	87.7 Å²	87.7	57%	0.567	45%	0.452	S	S	*	.	H	α-helix	trans	-66.7	-43.2	174.2	-69.7	-177.3	74.1	0	0	111.8	L330 L331 N337 H338	L330-M334 HydrophobicContact CG-SD 4.35Å; L330-M334 WeakPolarHBondContact O-CG 3.38Å; L330-M334 PolarHBondContact O-N 2.98Å; L331-M334 WeakPolarHBondContact O-CB 3.32Å; L331-M334 PolarHBondContact O-N 3.43Å; L331-M334 VanDerWaalsContact O-N 3.08Å; M334-N337 PolarHBondContact O-N 3.2Å; M334-H338 WeakPolarHBondContact O-CB 3.23Å; M334-H338 PolarHBondContact O-N 3.36Å
335	E	77.3	Confident	75.5	Confident	128 Å²	128	84.8 Å²	84.8	60%	0.598	43%	0.432	S	S	*	.	H	α-helix	trans	-60.7	-47	174.4	-73.9	173	177.1	0	0	111.2	L331 N337 H338 E339	L331-E335 WeakPolarHBondContact O-CG 3.17Å; L331-E335 PolarHBondContact O-N 3.2Å; E335-N337 PolarHBondContact O-N 3.46Å; E335-H338 WeakPolarHBondContact O-CB 3.26Å; E335-H338 PolarHBondContact O-N 3.39Å; E335-H338 VanDerWaalsContact O-N 3.16Å; E335-E339 PolarHBondContact O-N 3.5Å
336	Q	83.4	Confident	75.7	Confident	110 Å²	110	87.8 Å²	87.8	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-47.7	176.6	-178	178.2	-11.4	0	0	111.9	K332 H338 E339 E340	K332-Q336 WeakPolarHBondContact O-CB 3.43Å; K332-Q336 PolarHBondContact O-N 3.42Å; Q336-H338 VanDerWaalsContact C-N 3.26Å; Q336-H338 PolarHBondContact O-N 2.95Å; Q336-E339 PolarHBondContact O-N 2.98Å; Q336-E340 PolarHBondContact NE2-OE1 3.35Å; Q336-E340 WeakPolarHBondContact O-CG 3.05Å; Q336-E340 PolarHBondContact O-N 3.09Å
337	N	77.1	Confident	76.5	Confident	71 Å²	71	90.6 Å²	90.6	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-37.5	177.3	-70.8	-9.4	0	0	0	111.7	K333 M334 E335 E340 V341	K333-N337 WeakPolarHBondContact O-CB 2.88Å; K333-N337 PolarHBondContact O-N 2.85Å; K333-N337 PolarHBondContact O-ND2 3.26Å; K333-N337 PolarHBondContact O-OD1 3.03Å; M334-N337 PolarHBondContact O-N 3.2Å; E335-N337 PolarHBondContact O-N 3.46Å; N337-E340 PolarHBondContact O-N 3.22Å; N337-V341 VanDerWaalsContact O-CG2 3.29Å; N337-V341 WeakPolarHBondContact O-CG2 2.79Å; N337-V341 PolarHBondContact O-N 2.97Å
338	H	77.4	Confident	77.6	Confident	68 Å²	68	85.6 Å²	85.6	32%	0.315	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-46.1	177.3	-175.6	68.5	0	0	0	111.8	F74 M334 E335 Q336 E340 V341 L342	F74-H338 PolarHBondContact O-CE1 3.01Å; F74-H338 PolarHBondContact O-ND1 3.39Å; M334-H338 WeakPolarHBondContact O-CB 3.23Å; M334-H338 PolarHBondContact O-N 3.36Å; E335-H338 WeakPolarHBondContact O-CB 3.26Å; E335-H338 PolarHBondContact O-N 3.39Å; E335-H338 VanDerWaalsContact O-N 3.16Å; Q336-H338 VanDerWaalsContact C-N 3.26Å; Q336-H338 PolarHBondContact O-N 2.95Å; H338-E340 PolarHBondContact O-N 3.42Å; H338-V341 PolarHBondContact O-N 3.04Å; H338-L342 VanDerWaalsContact NE2-CD1 3.28Å; H338-L342 WeakPolarHBondContact NE2-CD1 3.29Å; H338-L342 WeakPolarHBondContact O-CB 3.33Å; H338-L342 WeakPolarHBondContact O-CG 3.27Å; H338-L342 PolarHBondContact O-N 3.04Å
339	E	79.1	Confident	77.4	Confident	127 Å²	127	84.5 Å²	84.5	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-40.4	176.6	-72.6	-59.8	148.8	0	0	112.2	E335 Q336 L342 G343	E335-E339 PolarHBondContact O-N 3.5Å; Q336-E339 PolarHBondContact O-N 2.98Å; E339-L342 PolarHBondContact O-N 3.16Å; E339-G343 PolarHBondContact O-N 3.47Å
340	E	80.7	Confident	77.2	Confident	84 Å²	84	80.7 Å²	80.7	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-44	175.3	-73.8	177.9	-164.8	0	0	112	Q336 N337 H338 G343 A344 Q529	Q336-E340 PolarHBondContact NE2-OE1 3.35Å; Q336-E340 WeakPolarHBondContact O-CG 3.05Å; Q336-E340 PolarHBondContact O-N 3.09Å; N337-E340 PolarHBondContact O-N 3.22Å; H338-E340 PolarHBondContact O-N 3.42Å; E340-G343 PolarHBondContact O-N 3.4Å; E340-A344 WeakPolarHBondContact O-CB 3.48Å; E340-A344 PolarHBondContact O-N 3.06Å; E340-Q529 PolarHBondContact OE2-NE2 3.23Å
341	V	75.1	Confident	78.1	Confident	31 Å²	31	77.2 Å²	77.2	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.2	168.3	0	0	0	0	111.2	N337 H338 S345 Q529 I532	N337-V341 VanDerWaalsContact O-CG2 3.29Å; N337-V341 WeakPolarHBondContact O-CG2 2.79Å; N337-V341 PolarHBondContact O-N 2.97Å; H338-V341 PolarHBondContact O-N 3.04Å; V341-S345 WeakPolarHBondContact O-CB 3.34Å; V341-S345 PolarHBondContact O-N 3.35Å; V341-Q529 HydrophobicContact CG2-CB 4.31Å; V341-Q529 HydrophobicContact CG2-CG 4.46Å; V341-I532 HydrophobicContact CG1-CD1 3.81Å
342	L	74.6	Confident	78.5	Confident	35 Å²	35	73.9 Å²	73.9	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-44.3	175.5	-74.7	-176.6	0	0	0	111.7	H338 E339 A344 S345 Y346	H338-L342 VanDerWaalsContact NE2-CD1 3.28Å; H338-L342 WeakPolarHBondContact NE2-CD1 3.29Å; H338-L342 WeakPolarHBondContact O-CB 3.33Å; H338-L342 WeakPolarHBondContact O-CG 3.27Å; H338-L342 PolarHBondContact O-N 3.04Å; E339-L342 PolarHBondContact O-N 3.16Å; L342-A344 PolarHBondContact O-N 3.29Å; L342-S345 WeakPolarHBondContact O-CB 3.47Å; L342-S345 PolarHBondContact O-N 2.94Å; L342-Y346 HydrophobicContact CB-CE2 4.36Å; L342-Y346 WeakPolarHBondContact O-CD2 3.49Å; L342-Y346 PolarHBondContact O-N 3.01Å
343	G	80.9	Confident	78	Confident	40 Å²	40	71.8 Å²	71.8	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-46.8	177.1	0	0	0	0	0	112.4	E339 E340 S345 Y346 K347	E339-G343 PolarHBondContact O-N 3.47Å; E340-G343 PolarHBondContact O-N 3.4Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.36Å; G343-Y346 PolarHBondContact O-N 3.36Å; G343-K347 PolarHBondContact O-N 3.21Å
344	A	77.8	Confident	78	Confident	18 Å²	18	70.4 Å²	70.4	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-38.7	175.7	0	0	0	0	0	112.1	E340 L342 K347 L348 I532 L536	E340-A344 WeakPolarHBondContact O-CB 3.48Å; E340-A344 PolarHBondContact O-N 3.06Å; L342-A344 PolarHBondContact O-N 3.29Å; A344-K347 PolarHBondContact O-N 2.95Å; A344-L348 PolarHBondContact O-N 3.28Å; A344-I532 HydrophobicContact CB-CG2 3.6Å; A344-L536 HydrophobicContact CB-CD1 4.02Å
345	S	73.8	Confident	78.4	Confident	5 Å²	5	64.9 Å²	64.9	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-46.3	175.7	172.5	0	0	0	0	112.7	V341 L342 G343 L348 C349 P524	V341-S345 WeakPolarHBondContact O-CB 3.34Å; V341-S345 PolarHBondContact O-N 3.35Å; L342-S345 WeakPolarHBondContact O-CB 3.47Å; L342-S345 PolarHBondContact O-N 2.94Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.36Å; S345-L348 PolarHBondContact O-N 2.93Å; S345-C349 PolarHBondContact O-N 3.04Å; S345-P524 VanDerWaalsContact O-CG 3.26Å; S345-P524 WeakPolarHBondContact O-CG 3.41Å; S345-P524 WeakPolarHBondContact OG-CB 3.45Å; S345-P524 WeakPolarHBondContact OG-CG 3.31Å
346	Y	77.7	Confident	78.4	Confident	148 Å²	148	61.5 Å²	61.5	58%	0.58	32%	0.32	S	S	*	.	H	α-helix	trans	-63.4	-41.5	174.4	-74.7	-62.9	0	0	0	112.4	L342 G343 L348 C349 S350	L342-Y346 HydrophobicContact CB-CE2 4.36Å; L342-Y346 WeakPolarHBondContact O-CD2 3.49Å; L342-Y346 PolarHBondContact O-N 3.01Å; G343-Y346 PolarHBondContact O-N 3.36Å; Y346-L348 VanDerWaalsContact C-N 3.35Å; Y346-L348 PolarHBondContact O-N 2.91Å; Y346-C349 PolarHBondContact O-N 3.43Å; Y346-S350 PolarHBondContact O-N 3.38Å
347	K	83.4	Confident	78.3	Confident	133 Å²	133	59.7 Å²	59.7	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-59.8	-45	175.7	-173.8	177.2	178.8	-178.3	0	111.6	G343 A344 C349 S350 M351 L536	G343-K347 PolarHBondContact O-N 3.21Å; A344-K347 PolarHBondContact O-N 2.95Å; K347-C349 PolarHBondContact O-N 3.47Å; K347-S350 WeakPolarHBondContact O-CB 3.4Å; K347-S350 PolarHBondContact O-N 3.03Å; K347-M351 HydrophobicContact CG-SD 4.19Å; K347-M351 WeakPolarHBondContact O-CG 3.49Å; K347-M351 PolarHBondContact O-N 2.82Å; K347-L536 HydrophobicContact CB-CD2 4.13Å; K347-L536 HydrophobicContact CD-CD2 3.87Å; K347-L536 HydrophobicContact CG-CD2 3.8Å
348	L	77.7	Confident	78.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-44.5	177.1	-172.7	71.6	0	0	0	112	A344 S345 Y346 S350 M351 Q352 P524 Q535 L536 Y539	A344-L348 PolarHBondContact O-N 3.28Å; S345-L348 PolarHBondContact O-N 2.93Å; Y346-L348 VanDerWaalsContact C-N 3.35Å; Y346-L348 PolarHBondContact O-N 2.91Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 3.32Å; L348-M351 PolarHBondContact O-N 3.48Å; L348-Q352 WeakPolarHBondContact O-CB 3.35Å; L348-Q352 WeakPolarHBondContact O-CG 3.49Å; L348-Q352 PolarHBondContact O-N 3.43Å; L348-P524 HydrophobicContact CB-CG 4.31Å; L348-P524 HydrophobicContact CD2-CB 3.83Å; L348-P524 HydrophobicContact CD2-CG 4.02Å; L348-Q535 HydrophobicContact CD1-CB 3.86Å; L348-Q535 HydrophobicContact CD2-CB 4.1Å; L348-L536 HydrophobicContact CB-CD2 4.31Å; L348-L536 HydrophobicContact CD1-CD2 4.35Å; L348-L536 HydrophobicContact CD1-CG 4.32Å; L348-Y539 HydrophobicContact CD1-CD2 3.46Å; L348-Y539 VanDerWaalsContact CD1-CD2 3.46Å; L348-Y539 HydrophobicContact CD1-CE2 3.9Å; L348-Y539 HydrophobicContact CD1-CG 4.03Å
349	C	75.7	Confident	78.2	Confident	51 Å²	51	56.1 Å²	56.1	35%	0.345	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-39.9	176.5	-174.1	0	0	0	0	111.8	S345 Y346 K347 Q352 N353	S345-C349 PolarHBondContact O-N 3.04Å; Y346-C349 PolarHBondContact O-N 3.43Å; K347-C349 PolarHBondContact O-N 3.47Å; C349-Q352 WeakPolarHBondContact O-CB 3.28Å; C349-Q352 PolarHBondContact O-N 3.45Å; C349-N353 VanDerWaalsContact O-CG 3.31Å; C349-N353 PolarHBondContact O-N 3.28Å; C349-N353 PolarHBondContact O-ND2 3.27Å; C349-N353 VanDerWaalsContact O-ND2 3.1Å
350	S	81.1	Confident	78.1	Confident	75 Å²	75	54.2 Å²	54.2	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-48.1	174.4	-168.5	0	0	0	0	111.7	Y346 K347 L348 Q352 N353 E354	Y346-S350 PolarHBondContact O-N 3.38Å; K347-S350 WeakPolarHBondContact O-CB 3.4Å; K347-S350 PolarHBondContact O-N 3.03Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 3.32Å; S350-Q352 VanDerWaalsContact C-N 3.32Å; S350-Q352 PolarHBondContact O-N 3.04Å; S350-N353 PolarHBondContact O-N 3.5Å; S350-E354 PolarHBondContact O-N 2.82Å
351	M	80.1	Confident	78.1	Confident	21 Å²	21	53 Å²	53	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-38	178.7	-67.5	172.2	74.2	0	0	112.1	K347 L348 E354 L355 L536 S540 L543	K347-M351 HydrophobicContact CG-SD 4.19Å; K347-M351 WeakPolarHBondContact O-CG 3.49Å; K347-M351 PolarHBondContact O-N 2.82Å; L348-M351 PolarHBondContact O-N 3.48Å; M351-E354 PolarHBondContact O-N 3.28Å; M351-L355 VanDerWaalsContact O-CB 3.32Å; M351-L355 WeakPolarHBondContact O-CB 3.37Å; M351-L355 PolarHBondContact O-N 2.95Å; M351-L536 HydrophobicContact SD-CD2 3.57Å; M351-L536 VanDerWaalsContact SD-CD2 3.57Å; M351-S540 VanDerWaalsContact CE-CA 3.5Å; M351-L543 HydrophobicContact CB-CD1 4.02Å; M351-L543 HydrophobicContact CE-CD1 3.89Å; M351-L543 HydrophobicContact CG-CD1 4.09Å
352	Q	75.9	Confident	78	Confident	19 Å²	19	51.6 Å²	51.6	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-49.1	173	-80.8	170.7	-1.8	0	0	111.8	L348 C349 S350 E354 L355 V356 L521 Y539	L348-Q352 WeakPolarHBondContact O-CB 3.35Å; L348-Q352 WeakPolarHBondContact O-CG 3.49Å; L348-Q352 PolarHBondContact O-N 3.43Å; C349-Q352 WeakPolarHBondContact O-CB 3.28Å; C349-Q352 PolarHBondContact O-N 3.45Å; S350-Q352 VanDerWaalsContact C-N 3.32Å; S350-Q352 PolarHBondContact O-N 3.04Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 3.33Å; Q352-L355 PolarHBondContact O-N 2.93Å; Q352-V356 WeakPolarHBondContact O-CG2 3.27Å; Q352-V356 PolarHBondContact O-N 2.95Å; Q352-L521 HydrophobicContact CG-CD2 4.25Å; Q352-Y539 HydrophobicContact CB-CE1 4.18Å; Q352-Y539 HydrophobicContact CG-CD1 3.94Å; Q352-Y539 HydrophobicContact CG-CE1 3.23Å; Q352-Y539 HydrophobicContact CG-CE2 4.18Å; Q352-Y539 WeakPolarHBondContact CG-OH 3.41Å; Q352-Y539 PolarHBondContact NE2-OH 3.29Å; Q352-Y539 VanDerWaalsContact NE2-OH 3.14Å
353	N	78.8	Confident	77.9	Confident	105 Å²	105	53.2 Å²	53.2	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-63.9	-40	179.6	-70	-35.5	0	0	0	111.9	C349 S350 V356 S357	C349-N353 VanDerWaalsContact O-CG 3.31Å; C349-N353 PolarHBondContact O-N 3.28Å; C349-N353 PolarHBondContact O-ND2 3.27Å; C349-N353 VanDerWaalsContact O-ND2 3.1Å; S350-N353 PolarHBondContact O-N 3.5Å; N353-V356 PolarHBondContact O-N 3.05Å; N353-S357 PolarHBondContact O-N 3.13Å
354	E	82.6	Confident	77.7	Confident	94 Å²	94	57 Å²	57	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-46.2	175.2	-174.2	174.3	-178	0	0	111.2	S350 M351 Q352 V356 S357 W358 L543	S350-E354 PolarHBondContact O-N 2.82Å; M351-E354 PolarHBondContact O-N 3.28Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 3.33Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 2.97Å; E354-S357 WeakPolarHBondContact O-CA 3.37Å; E354-S357 VanDerWaalsContact O-CB 3.25Å; E354-S357 WeakPolarHBondContact O-CB 3.45Å; E354-S357 PolarHBondContact O-N 3.26Å; E354-W358 VanDerWaalsContact O-CD1 3.3Å; E354-W358 PolarHBondContact O-N 3.41Å; E354-L543 HydrophobicContact CB-CD2 4.16Å; E354-L543 HydrophobicContact CG-CD2 3.81Å
355	L	76.8	Confident	77.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-38	179.2	-171.4	59.8	0	0	0	112.1	M351 Q352 W358 C359 W508 V511 L515 Y539 W542 L543 A546	M351-L355 VanDerWaalsContact O-CB 3.32Å; M351-L355 WeakPolarHBondContact O-CB 3.37Å; M351-L355 PolarHBondContact O-N 2.95Å; Q352-L355 PolarHBondContact O-N 2.93Å; L355-W358 WeakPolarHBondContact O-CB 3.4Å; L355-W358 PolarHBondContact O-N 3.5Å; L355-C359 PolarHBondContact O-N 2.97Å; L355-C359 PolarHBondContact O-SG 2.89Å; L355-W508 HydrophobicContact CD1-CZ3 4.39Å; L355-V511 HydrophobicContact CD1-CG1 4.34Å; L355-V511 HydrophobicContact CD2-CG1 4.23Å; L355-L515 HydrophobicContact CD2-CD1 3.61Å; L355-L515 HydrophobicContact CD2-CD2 3.95Å; L355-L515 HydrophobicContact CD2-CG 4.05Å; L355-L515 HydrophobicContact CG-CD1 3.66Å; L355-L515 HydrophobicContact CG-CD2 4.28Å; L355-L515 HydrophobicContact CG-CG 4.48Å; L355-Y539 HydrophobicContact CD2-CD1 3.76Å; L355-Y539 HydrophobicContact CD2-CE1 4.01Å; L355-W542 HydrophobicContact CD1-CB 4.15Å; L355-W542 HydrophobicContact CD2-CB 3.66Å; L355-W542 HydrophobicContact CD2-CD2 4.36Å; L355-W542 HydrophobicContact CD2-CE3 3.72Å; L355-W542 HydrophobicContact CD2-CG 4.4Å; L355-L543 HydrophobicContact CB-CD2 3.93Å; L355-L543 HydrophobicContact CB-CG 4.5Å; L355-L543 HydrophobicContact CD1-CD2 4.04Å; L355-L543 HydrophobicContact CD1-CG 4.4Å; L355-A546 HydrophobicContact CD1-CB 4.1Å
356	V	77.2	Confident	77	Confident	56 Å²	56	62.7 Å²	62.7	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-40.4	171.9	170.7	0	0	0	0	111.5	Q352 N353 E354 W358 C359 N360 L515	Q352-V356 WeakPolarHBondContact O-CG2 3.27Å; Q352-V356 PolarHBondContact O-N 2.95Å; N353-V356 PolarHBondContact O-N 3.05Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 2.97Å; V356-W358 VanDerWaalsContact C-N 3.35Å; V356-C359 WeakPolarHBondContact O-CB 3.2Å; V356-C359 PolarHBondContact O-N 3.17Å; V356-N360 PolarHBondContact O-N 3.29Å; V356-N360 PolarHBondContact O-ND2 3.3Å; V356-L515 HydrophobicContact CG2-CD2 4.33Å
357	S	81.5	Confident	76.5	Confident	73 Å²	73	62.4 Å²	62.4	51%	0.51	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-46.4	174.2	-171.9	0	0	0	0	111.2	N353 E354 C359 N360 E361	N353-S357 PolarHBondContact O-N 3.13Å; E354-S357 WeakPolarHBondContact O-CA 3.37Å; E354-S357 VanDerWaalsContact O-CB 3.25Å; E354-S357 WeakPolarHBondContact O-CB 3.45Å; E354-S357 PolarHBondContact O-N 3.26Å; S357-C359 VanDerWaalsContact C-N 3.33Å; S357-C359 PolarHBondContact O-N 2.82Å; S357-N360 PolarHBondContact O-N 3.07Å; S357-E361 PolarHBondContact O-N 2.59Å
358	W	79.6	Confident	75.7	Confident	63 Å²	63	58.3 Å²	58.3	24%	0.239	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-44.4	173	-89.3	94.7	0	0	0	112.3	E354 L355 V356 N360 E361 I362 A546 E547 M550	E354-W358 VanDerWaalsContact O-CD1 3.3Å; E354-W358 PolarHBondContact O-N 3.41Å; L355-W358 WeakPolarHBondContact O-CB 3.4Å; L355-W358 PolarHBondContact O-N 3.5Å; V356-W358 VanDerWaalsContact C-N 3.35Å; W358-N360 PolarHBondContact O-N 3.41Å; W358-E361 PolarHBondContact O-N 2.62Å; W358-I362 HydrophobicContact CE3-CD1 4.18Å; W358-I362 WeakPolarHBondContact O-CB 3.29Å; W358-I362 VanDerWaalsContact O-CG1 3.28Å; W358-I362 WeakPolarHBondContact O-CG1 3.3Å; W358-I362 PolarHBondContact O-N 3.23Å; W358-A546 HydrophobicContact CB-CB 4.05Å; W358-A546 HydrophobicContact CD2-CB 4.05Å; W358-A546 HydrophobicContact CE3-CB 3.81Å; W358-A546 HydrophobicContact CG-CB 4.12Å; W358-A546 VanDerWaalsContact CZ3-C 3.5Å; W358-A546 WeakPolarHBondContact CZ3-O 3.43Å; W358-E547 VanDerWaalsContact CH2-CA 3.48Å; W358-E547 HydrophobicContact CH2-CB 3.96Å; W358-E547 HydrophobicContact CH2-CG 3.79Å; W358-E547 HydrophobicContact CZ2-CB 4.29Å; W358-E547 HydrophobicContact CZ2-CG 4.12Å; W358-E547 VanDerWaalsContact CZ3-CA 3.4Å; W358-E547 HydrophobicContact CZ3-CB 4.34Å; W358-M550 HydrophobicContact CE3-CB 4.21Å; W358-M550 HydrophobicContact CE3-CG 3.47Å; W358-M550 VanDerWaalsContact CE3-CG 3.47Å; W358-M550 HydrophobicContact CH2-CB 3.89Å; W358-M550 HydrophobicContact CH2-CG 4.01Å; W358-M550 HydrophobicContact CZ3-CB 3.28Å; W358-M550 HydrophobicContact CZ3-CG 3.04Å
359	C	73.2	Confident	75	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-47.5	176	-66.9	0	0	0	0	112.6	L355 V356 S357 I362 E363 W508	L355-C359 PolarHBondContact O-N 2.97Å; L355-C359 PolarHBondContact O-SG 2.89Å; V356-C359 WeakPolarHBondContact O-CB 3.2Å; V356-C359 PolarHBondContact O-N 3.17Å; S357-C359 VanDerWaalsContact C-N 3.33Å; S357-C359 PolarHBondContact O-N 2.82Å; C359-I362 PolarHBondContact O-N 3.12Å; C359-E363 WeakPolarHBondContact O-CB 3.26Å; C359-E363 WeakPolarHBondContact O-CG 3.34Å; C359-E363 PolarHBondContact O-N 2.76Å; C359-W508 HydrophobicContact CB-CH2 4.29Å; C359-W508 HydrophobicContact CB-CZ2 4.05Å; C359-W508 WeakPolarHBondContact SG-CH2 3.3Å; C359-W508 WeakPolarHBondContact SG-CZ2 3.38Å
360	N	76.7	Confident	74.1	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-40.6	-178.9	-67.2	-33.1	0	0	0	111.8	V356 S357 W358 E363 K364	V356-N360 PolarHBondContact O-N 3.29Å; V356-N360 PolarHBondContact O-ND2 3.3Å; S357-N360 PolarHBondContact O-N 3.07Å; W358-N360 PolarHBondContact O-N 3.41Å; N360-E363 PolarHBondContact O-N 2.99Å; N360-K364 WeakPolarHBondContact O-CB 3.35Å; N360-K364 PolarHBondContact O-N 3.29Å
361	E	79.7	Confident	73.2	Confident	60 Å²	60	59.4 Å²	59.4	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-69.7	-41.2	178.3	-175.4	62.7	-161.2	0	0	111.5	S357 W358 E363 K364 R365 M550	S357-E361 PolarHBondContact O-N 2.59Å; W358-E361 PolarHBondContact O-N 2.62Å; E361-E363 VanDerWaalsContact C-N 3.34Å; E361-E363 PolarHBondContact O-N 2.95Å; E361-K364 PolarHBondContact O-N 3.2Å; E361-R365 WeakPolarHBondContact O-CG 3.43Å; E361-R365 PolarHBondContact O-N 2.87Å; E361-R365 IonicContact OE1-CZ 2.91Å; E361-R365 IonicContact OE1-NE 3.54Å; E361-R365 PolarHBondContact OE1-NE 2.97Å; E361-R365 IonicContact OE1-NH2 3.45Å; E361-R365 PolarHBondContact OE1-NH2 3.34Å; E361-M550 HydrophobicContact CG-CE 3.6Å
362	I	73.8	Confident	72.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-46.8	173.5	-74.2	165.4	0	0	0	110.7	W358 C359 K364 R365 L366 W508 A546 Y549 M550 L553	W358-I362 HydrophobicContact CE3-CD1 4.18Å; W358-I362 WeakPolarHBondContact O-CB 3.29Å; W358-I362 VanDerWaalsContact O-CG1 3.28Å; W358-I362 WeakPolarHBondContact O-CG1 3.3Å; W358-I362 PolarHBondContact O-N 3.23Å; C359-I362 PolarHBondContact O-N 3.12Å; I362-K364 VanDerWaalsContact C-N 3.34Å; I362-K364 PolarHBondContact O-N 3.49Å; I362-R365 PolarHBondContact O-N 3.34Å; I362-L366 HydrophobicContact CG2-CD1 3.93Å; I362-L366 HydrophobicContact CG2-CG 4.44Å; I362-L366 WeakPolarHBondContact O-CG 3.49Å; I362-L366 PolarHBondContact O-N 3.2Å; I362-W508 HydrophobicContact CB-CZ2 4.39Å; I362-W508 HydrophobicContact CD1-CD2 4.31Å; I362-W508 HydrophobicContact CD1-CE3 4.42Å; I362-W508 HydrophobicContact CD1-CH2 3.6Å; I362-W508 HydrophobicContact CD1-CZ2 3.47Å; I362-W508 VanDerWaalsContact CD1-CZ2 3.47Å; I362-W508 HydrophobicContact CD1-CZ3 4.1Å; I362-W508 HydrophobicContact CG1-CZ2 4.5Å; I362-W508 HydrophobicContact CG2-CZ2 4.45Å; I362-A546 HydrophobicContact CD1-CB 4.41Å; I362-Y549 HydrophobicContact CD1-CD1 3.93Å; I362-Y549 HydrophobicContact CG1-CD1 4.1Å; I362-Y549 HydrophobicContact CG2-CD1 3.71Å; I362-Y549 HydrophobicContact CG2-CE1 3.51Å; I362-M550 HydrophobicContact CB-SD 4.18Å; I362-M550 HydrophobicContact CD1-CG 4.03Å; I362-M550 HydrophobicContact CG1-CG 3.42Å; I362-M550 VanDerWaalsContact CG1-CG 3.42Å; I362-M550 HydrophobicContact CG1-SD 3.35Å; I362-M550 WeakPolarHBondContact CG1-SD 3.32Å; I362-L553 HydrophobicContact CG2-CD1 4.06Å
363	E	71.4	Confident	71.6	Confident	70 Å²	70	68.5 Å²	68.5	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-42.4	178.7	-79.1	176.3	-168.9	0	0	112.5	C359 N360 E361 L366 Y367 R512	C359-E363 WeakPolarHBondContact O-CB 3.26Å; C359-E363 WeakPolarHBondContact O-CG 3.34Å; C359-E363 PolarHBondContact O-N 2.76Å; N360-E363 PolarHBondContact O-N 2.99Å; E361-E363 VanDerWaalsContact C-N 3.34Å; E361-E363 PolarHBondContact O-N 2.95Å; E363-L366 PolarHBondContact O-N 2.94Å; E363-Y367 WeakPolarHBondContact O-CB 3.44Å; E363-Y367 PolarHBondContact O-N 2.95Å; E363-R512 VanDerWaalsContact CD-NH2 3.34Å; E363-R512 IonicContact OE1-CZ 2.97Å; E363-R512 VanDerWaalsContact OE1-CZ 3.26Å; E363-R512 IonicContact OE1-NE 2.87Å; E363-R512 PolarHBondContact OE1-NE 3.14Å; E363-R512 IonicContact OE1-NH2 3.35Å; E363-R512 PolarHBondContact OE1-NH2 3.47Å
364	K	76.6	Confident	70.4	Confident	119 Å²	119	68.8 Å²	68.8	52%	0.517	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.1	-177	-176.2	171.9	-166.7	0	111.4	N360 E361 I362 Y367 D368	N360-K364 WeakPolarHBondContact O-CB 3.35Å; N360-K364 PolarHBondContact O-N 3.29Å; E361-K364 PolarHBondContact O-N 3.2Å; I362-K364 VanDerWaalsContact C-N 3.34Å; I362-K364 PolarHBondContact O-N 3.49Å; K364-Y367 PolarHBondContact O-N 3.31Å; K364-D368 VanDerWaalsContact O-CG 3.3Å; K364-D368 PolarHBondContact O-N 3.1Å
365	R	70.6	Confident	68.9	Low	94 Å²	94	66.1 Å²	66.1	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-43	177	-67	-58.1	176.1	103.9	4.1	112.6	E361 I362 Y367 D368 I369 M550 L553	E361-R365 WeakPolarHBondContact O-CG 3.43Å; E361-R365 PolarHBondContact O-N 2.87Å; E361-R365 IonicContact OE1-CZ 2.91Å; E361-R365 IonicContact OE1-NE 3.54Å; E361-R365 PolarHBondContact OE1-NE 2.97Å; E361-R365 IonicContact OE1-NH2 3.45Å; E361-R365 PolarHBondContact OE1-NH2 3.34Å; I362-R365 PolarHBondContact O-N 3.34Å; R365-Y367 VanDerWaalsContact C-N 3.27Å; R365-Y367 PolarHBondContact O-N 3.47Å; R365-D368 PolarHBondContact O-N 2.96Å; R365-I369 VanDerWaalsContact O-CG1 3.24Å; R365-I369 WeakPolarHBondContact O-CG1 3.23Å; R365-I369 PolarHBondContact O-N 3.29Å; R365-M550 HydrophobicContact CG-CE 3.96Å; R365-M550 HydrophobicContact CG-SD 4.24Å; R365-L553 HydrophobicContact CB-CD1 4.47Å
366	L	66.5	Low	67.5	Low	48 Å²	48	68.4 Å²	68.4	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-39.8	175.7	-73.9	171.2	0	0	0	111.5	I362 E363 I369 D370 Y549 L553	I362-L366 HydrophobicContact CG2-CD1 3.93Å; I362-L366 HydrophobicContact CG2-CG 4.44Å; I362-L366 WeakPolarHBondContact O-CG 3.49Å; I362-L366 PolarHBondContact O-N 3.2Å; E363-L366 PolarHBondContact O-N 2.94Å; L366-I369 PolarHBondContact O-N 3.25Å; L366-D370 WeakPolarHBondContact O-CB 3.49Å; L366-D370 PolarHBondContact O-N 3.02Å; L366-Y549 HydrophobicContact CD1-CE1 4.45Å; L366-L553 HydrophobicContact CD2-CD1 4.42Å; L366-L553 HydrophobicContact CD2-CD2 3.76Å; L366-L553 HydrophobicContact CG-CD1 4.34Å
367	Y	67.2	Low	66	Low	143 Å²	143	71.9 Å²	71.9	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-42.1	174	-176.7	-90.6	0	0	0	112.6	E363 K364 R365 I369 D370 S371	E363-Y367 WeakPolarHBondContact O-CB 3.44Å; E363-Y367 PolarHBondContact O-N 2.95Å; K364-Y367 PolarHBondContact O-N 3.31Å; R365-Y367 VanDerWaalsContact C-N 3.27Å; R365-Y367 PolarHBondContact O-N 3.47Å; Y367-I369 VanDerWaalsContact C-N 3.26Å; Y367-I369 PolarHBondContact O-N 3.39Å; Y367-D370 PolarHBondContact O-N 3.42Å; Y367-S371 VanDerWaalsContact O-CB 3.29Å; Y367-S371 WeakPolarHBondContact O-CB 3.46Å; Y367-S371 PolarHBondContact O-N 3.01Å; Y367-S371 PolarHBondContact O-OG 2.88Å
368	D	67.2	Low	64.2	Low	47 Å²	47	71.1 Å²	71.1	25%	0.251	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-30.8	176.8	-73	-16.3	0	0	0	112.4	K364 R365 S371 R372	K364-D368 VanDerWaalsContact O-CG 3.3Å; K364-D368 PolarHBondContact O-N 3.1Å; R365-D368 PolarHBondContact O-N 2.96Å; D368-S371 WeakPolarHBondContact CA-OG 3.39Å; D368-S371 PolarHBondContact O-OG 3.19Å; D368-S371 VanDerWaalsContact O-OG 3.13Å; D368-R372 WeakPolarHBondContact O-CG 3.42Å; D368-R372 PolarHBondContact O-N 2.94Å; D368-R372 PolarHBondContact O-NE 2.95Å
369	I	62.3	Low	62.3	Low	20 Å²	20	76.9 Å²	76.9	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-74.2	-48.3	172.9	-65.9	166.5	0	0	0	109.6	R365 L366 Y367 S371 R372 Y373 I375 L393 L553	R365-I369 VanDerWaalsContact O-CG1 3.24Å; R365-I369 WeakPolarHBondContact O-CG1 3.23Å; R365-I369 PolarHBondContact O-N 3.29Å; L366-I369 PolarHBondContact O-N 3.25Å; Y367-I369 VanDerWaalsContact C-N 3.26Å; Y367-I369 PolarHBondContact O-N 3.39Å; I369-S371 VanDerWaalsContact C-N 3.3Å; I369-S371 PolarHBondContact O-N 3.22Å; I369-R372 PolarHBondContact O-N 3.45Å; I369-Y373 HydrophobicContact CG2-CD2 4.26Å; I369-Y373 WeakPolarHBondContact O-CA 3.2Å; I369-Y373 WeakPolarHBondContact O-CB 3.5Å; I369-Y373 PolarHBondContact O-N 3.3Å; I369-Y373 VanDerWaalsContact O-O 3.11Å; I369-I375 HydrophobicContact CB-CD1 4.31Å; I369-I375 HydrophobicContact CG2-CD1 3.63Å; I369-I375 HydrophobicContact CG2-CG1 3.91Å; I369-L393 HydrophobicContact CG2-CD1 4.21Å; I369-L393 HydrophobicContact CG2-CD2 3.38Å; I369-L393 HydrophobicContact CG2-CG 4.46Å; I369-L553 HydrophobicContact CD1-CD2 3.98Å
370	D	58.3	Low	60.7	Low	76 Å²	76	79.8 Å²	79.8	41%	0.406	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-28.3	-178.8	-171.2	50.8	0	0	0	113.7	L366 Y367 Y373 I375	L366-D370 WeakPolarHBondContact O-CB 3.49Å; L366-D370 PolarHBondContact O-N 3.02Å; Y367-D370 PolarHBondContact O-N 3.42Å; D370-Y373 CarbonylContact C-O 3.39Å; D370-Y373 VanDerWaalsContact CA-O 3.31Å; D370-Y373 WeakPolarHBondContact CA-O 3.32Å; D370-Y373 VanDerWaalsContact O-O 3.07Å; D370-I375 HydrophobicContact CB-CD1 4.19Å
371	S	61.8	Low	59.1	Low	52 Å²	52	87 Å²	87	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-74.3	-35.5	175	59	0	0	0	0	112.9	Y367 D368 I369	Y367-S371 VanDerWaalsContact O-CB 3.29Å; Y367-S371 WeakPolarHBondContact O-CB 3.46Å; Y367-S371 PolarHBondContact O-N 3.01Å; Y367-S371 PolarHBondContact O-OG 2.88Å; D368-S371 WeakPolarHBondContact CA-OG 3.39Å; D368-S371 PolarHBondContact O-OG 3.19Å; D368-S371 VanDerWaalsContact O-OG 3.13Å; I369-S371 VanDerWaalsContact C-N 3.3Å; I369-S371 PolarHBondContact O-N 3.22Å
372	R	60.9	Low	57.6	Low	151 Å²	151	90.1 Å²	90.1	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-87.2	-35.1	179.2	-73.7	-173.8	-86.3	-170.8	-6.1	112.9	D368 I369 R396	D368-R372 WeakPolarHBondContact O-CG 3.42Å; D368-R372 PolarHBondContact O-N 2.94Å; D368-R372 PolarHBondContact O-NE 2.95Å; I369-R372 PolarHBondContact O-N 3.45Å; R372-R396 PolarHBondContact O-N 3.02Å
373	Y	60	Low	55.9	Low	81 Å²	81	94.9 Å²	94.9	32%	0.318	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.2	-173.3	-54.2	-79.6	0	0	0	110.3	I369 D370 I375 L393 E394 P395	I369-Y373 HydrophobicContact CG2-CD2 4.26Å; I369-Y373 WeakPolarHBondContact O-CA 3.2Å; I369-Y373 WeakPolarHBondContact O-CB 3.5Å; I369-Y373 PolarHBondContact O-N 3.3Å; I369-Y373 VanDerWaalsContact O-O 3.11Å; D370-Y373 CarbonylContact C-O 3.39Å; D370-Y373 VanDerWaalsContact CA-O 3.31Å; D370-Y373 WeakPolarHBondContact CA-O 3.32Å; D370-Y373 VanDerWaalsContact O-O 3.07Å; Y373-I375 PolarHBondContact O-N 3.48Å; Y373-L393 HydrophobicContact CD1-CB 3.94Å; Y373-L393 HydrophobicContact CD2-CB 4.49Å; Y373-L393 HydrophobicContact CD2-CD1 4.11Å; Y373-L393 HydrophobicContact CE2-CD1 4.41Å; Y373-L393 HydrophobicContact CG-CB 3.86Å; Y373-L393 HydrophobicContact CG-CD1 4.29Å; Y373-L393 HydrophobicContact CG-CD2 4.36Å; Y373-L393 HydrophobicContact CG-CG 4.41Å; Y373-E394 CarbonylContact C-O 3.41Å; Y373-E394 WeakPolarHBondContact CA-O 3.45Å; Y373-P395 HydrophobicContact CD1-CG 4.41Å; Y373-P395 HydrophobicContact CE1-CG 4.42Å
374	K	54.2	Low	54.6	Low	111 Å²	111	104 Å²	104	48%	0.483	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	106.9	162.6	-179	-176	167	-156.1	0	107.9	T376 E394	K374-T376 HydrophobicContact CG-CG2 4.37Å; K374-T376 PolarHBondContact O-N 2.93Å; K374-E394 HydrophobicContact CB-CB 4.4Å; K374-E394 PolarHBondContact N-O 3.28Å; K374-E394 IonicContact NZ-OE2 3.48Å; K374-E394 PolarHBondContact NZ-OE2 3.16Å; K374-E394 PolarHBondContact O-N 3.4Å; K374-E394 VanDerWaalsContact O-N 3.08Å
375	I	50.7	Low	53	Low	38 Å²	38	101.3 Å²	101.3	20%	0.195	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.1	177	-51.5	-179.7	0	0	0	108.6	I369 D370 Y373 F377 I391 L393	I369-I375 HydrophobicContact CB-CD1 4.31Å; I369-I375 HydrophobicContact CG2-CD1 3.63Å; I369-I375 HydrophobicContact CG2-CG1 3.91Å; D370-I375 HydrophobicContact CB-CD1 4.19Å; Y373-I375 PolarHBondContact O-N 3.48Å; I375-F377 HydrophobicContact CG2-CD2 4.46Å; I375-F377 HydrophobicContact CG2-CE1 4.21Å; I375-F377 HydrophobicContact CG2-CE2 3.92Å; I375-F377 HydrophobicContact CG2-CZ 3.79Å; I375-I391 HydrophobicContact CG2-CG2 3.73Å; I375-L393 HydrophobicContact CB-CD2 4.49Å; I375-L393 HydrophobicContact CG1-CD2 3.82Å
376	T	48.6	Very low	51.5	Low	47 Å²	47	101.6 Å²	101.6	29%	0.288	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	172	53.1	0	0	0	0	110.5	K374 F392	K374-T376 HydrophobicContact CG-CG2 4.37Å; K374-T376 PolarHBondContact O-N 2.93Å; T376-F392 PolarHBondContact N-O 3.45Å; T376-F392 PolarHBondContact O-N 3.36Å; T376-F392 WeakPolarHBondContact OG1-CB 3.31Å; T376-F392 PolarHBondContact OG1-O 3.01Å
377	F	45.7	Very low	50.2	Low	129 Å²	129	105.2 Å²	105.2	57%	0.566	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.4	178.3	-63.1	-78.7	0	0	0	109.6	I375 L389 I391	I375-F377 HydrophobicContact CG2-CD2 4.46Å; I375-F377 HydrophobicContact CG2-CE1 4.21Å; I375-F377 HydrophobicContact CG2-CE2 3.92Å; I375-F377 HydrophobicContact CG2-CZ 3.79Å; F377-L389 HydrophobicContact CB-CD2 3.75Å; F377-L389 HydrophobicContact CD1-CD2 3.7Å; F377-L389 HydrophobicContact CG-CD2 4.02Å; F377-I391 HydrophobicContact CD1-CG1 4.06Å; F377-I391 HydrophobicContact CE1-CD1 4.02Å; F377-I391 HydrophobicContact CE1-CG1 3.96Å
378	C	42.2	Very low	48.9	Very low	58 Å²	58	99.9 Å²	99.9	39%	0.392	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.6	177.3	-66.6	0	0	0	0	110.1	R390 F392	C378-R390 PolarHBondContact N-O 3.42Å; C378-R390 PolarHBondContact O-N 2.86Å; C378-R390 VanDerWaalsContact O-N 3.09Å; C378-F392 HydrophobicContact CB-CD2 4.01Å; C378-F392 HydrophobicContact CB-CE2 3.69Å
379	R	39.7	Very low	47.5	Very low	184 Å²	184	98.8 Å²	98.8	69%	0.694	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	118	164.5	-84.7	-172.8	169	146.1	-3.2	109.1	R381 L389	R379-R381 PolarHBondContact O-N 3Å; R379-R381 VanDerWaalsContact O-N 3.12Å; R379-L389 HydrophobicContact CG-CD1 3.32Å; R379-L389 HydrophobicContact CG-CG 4.38Å
380	N	40.2	Very low	46.8	Very low	61 Å²	61	102.8 Å²	102.8	33%	0.326	49%	0.49	S	S	.	.			trans	-76.8	97.6	168.7	-128.5	-9.1	0	0	0	108.6	V382	N380-V382 PolarHBondContact O-N 3.5Å
381	R	43.1	Very low	46.1	Very low	237 Å²	237	100.7 Å²	100.7	89%	0.894	48%	0.479	S	S	*	.			trans	-73.5	-9.5	173.8	-76.7	-172.1	-174.4	173.1	2.7	113.2	R379	R379-R381 PolarHBondContact O-N 3Å; R379-R381 VanDerWaalsContact O-N 3.12Å
382	V	48.2	Very low	45.6	Very low	127 Å²	127	101 Å²	101	77%	0.77	47%	0.474	S	S	*	.	S	Bend	trans	-83.3	-23.6	-167.6	-176.2	0	0	0	0	112.8	N380	N380-V382 PolarHBondContact O-N 3.5Å
383	L	39.3	Very low	45	Very low	99 Å²	99	94.6 Å²	94.6	52%	0.518	45%	0.451	S	S	.	.	S	Bend	trans	-95.6	115	178.7	-66.1	173.9	0	0	0	110.2	G385	L383-G385 PolarHBondContact O-N 3.19Å
384	R	43.4	Very low	44.7	Very low	263 Å²	263	93.1 Å²	93.1	99%	0.992	45%	0.447	S	S	*	.	S	Bend	trans	-67.4	32.4	-170.7	-152.4	-175.3	-161	-141.8	5.1	115.1
385	G	42.4	Very low	44.6	Very low	62 Å²	62	91.2 Å²	91.2	64%	0.639	45%	0.445	S	S	*	.	S	Bend	trans	-169.7	-33.9	-177.7	0	0	0	0	0	114.9	L383	L383-G385 PolarHBondContact O-N 3.19Å
386	D	39.6	Very low	44.6	Very low	100 Å²	100	96.7 Å²	96.7	54%	0.535	46%	0.464	S	S	.	.			trans	-109.4	103.7	-174.3	-68.2	-38	0	0	0	110.7	D388	D386-D388 PolarHBondContact O-N 2.97Å
387	N	39.7	Very low	44.8	Very low	124 Å²	124	101.6 Å²	101.6	66%	0.663	48%	0.483	S	S	*	.			trans	-70.1	52.2	170.5	-73.8	-38.1	0	0	0	111	L389 N502	N387-L389 PolarHBondContact O-N 2.94Å; N387-L389 VanDerWaalsContact O-N 3.16Å; N387-N502 PolarHBondContact O-ND2 2.95Å
388	D	39.3	Very low	44.8	Very low	30 Å²	30	101.6 Å²	101.6	16%	0.16	49%	0.494	C	S	.	.			trans	-72.7	108.3	-179.9	-74.2	-17.7	0	0	0	109.3	D386 R390	D386-D388 PolarHBondContact O-N 2.97Å; D388-R390 PolarHBondContact O-N 3.2Å
389	L	38.1	Very low	44.8	Very low	25 Å²	25	105 Å²	105	13%	0.131	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.7	163.4	-112.6	76.9	0	0	0	107.9	F377 R379 N387 N502	F377-L389 HydrophobicContact CB-CD2 3.75Å; F377-L389 HydrophobicContact CD1-CD2 3.7Å; F377-L389 HydrophobicContact CG-CD2 4.02Å; R379-L389 HydrophobicContact CG-CD1 3.32Å; R379-L389 HydrophobicContact CG-CG 4.38Å; N387-L389 PolarHBondContact O-N 2.94Å; N387-L389 VanDerWaalsContact O-N 3.16Å; L389-N502 VanDerWaalsContact CB-ND2 3.32Å; L389-N502 WeakPolarHBondContact CB-ND2 3.29Å; L389-N502 VanDerWaalsContact CB-OD1 3.24Å; L389-N502 WeakPolarHBondContact CB-OD1 3.4Å; L389-N502 VanDerWaalsContact CD1-CG 3.42Å; L389-N502 WeakPolarHBondContact CD1-ND2 3.4Å; L389-N502 WeakPolarHBondContact CD1-OD1 3.3Å; L389-N502 WeakPolarHBondContact CD2-OD1 3.48Å; L389-N502 VanDerWaalsContact CG-OD1 3.22Å; L389-N502 WeakPolarHBondContact CG-OD1 3.42Å; L389-N502 PolarHBondContact N-ND2 3.45Å
390	R	46.7	Very low	44.7	Very low	104 Å²	104	104.7 Å²	104.7	39%	0.392	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.9	167.5	-63.4	-171.3	-177.6	-153.2	0.6	109	C378 D388 F392	C378-R390 PolarHBondContact N-O 3.42Å; C378-R390 PolarHBondContact O-N 2.86Å; C378-R390 VanDerWaalsContact O-N 3.09Å; D388-R390 PolarHBondContact O-N 3.2Å; R390-F392 HydrophobicContact CB-CD2 4.3Å; R390-F392 HydrophobicContact CB-CE2 3.63Å; R390-F392 HydrophobicContact CB-CZ 4.1Å
391	I	45.2	Very low	44.6	Very low	32 Å²	32	109.7 Å²	109.7	16%	0.164	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.9	172.9	-57.3	-171.9	0	0	0	107.6	I375 F377 L393 W501	I375-I391 HydrophobicContact CG2-CG2 3.73Å; F377-I391 HydrophobicContact CD1-CG1 4.06Å; F377-I391 HydrophobicContact CE1-CD1 4.02Å; F377-I391 HydrophobicContact CE1-CG1 3.96Å; I391-L393 HydrophobicContact CG2-CD2 4.31Å; I391-W501 HydrophobicContact CD1-CB 4.17Å; I391-W501 HydrophobicContact CD1-CD2 3.23Å; I391-W501 HydrophobicContact CD1-CE3 3.46Å; I391-W501 VanDerWaalsContact CD1-CE3 3.46Å; I391-W501 HydrophobicContact CD1-CG 3.56Å; I391-W501 HydrophobicContact CD1-CH2 4.29Å; I391-W501 HydrophobicContact CD1-CZ2 4.11Å; I391-W501 HydrophobicContact CD1-CZ3 3.98Å; I391-W501 HydrophobicContact CG1-CB 4.35Å; I391-W501 HydrophobicContact CG1-CD2 4.11Å; I391-W501 HydrophobicContact CG1-CG 3.92Å
392	F	50.4	Low	44.1	Very low	58 Å²	58	105.2 Å²	105.2	25%	0.254	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.6	172.2	-66.5	-85.3	0	0	0	109	T376 C378 R390 L486	T376-F392 PolarHBondContact N-O 3.45Å; T376-F392 PolarHBondContact O-N 3.36Å; T376-F392 WeakPolarHBondContact OG1-CB 3.31Å; T376-F392 PolarHBondContact OG1-O 3.01Å; C378-F392 HydrophobicContact CB-CD2 4.01Å; C378-F392 HydrophobicContact CB-CE2 3.69Å; R390-F392 HydrophobicContact CB-CD2 4.3Å; R390-F392 HydrophobicContact CB-CE2 3.63Å; R390-F392 HydrophobicContact CB-CZ 4.1Å; F392-L486 WeakPolarHBondContact CD1-O 3.17Å
393	L	48.1	Very low	43.1	Very low	17 Å²	17	108.7 Å²	108.7	9%	0.089	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113	175.3	-64.1	-176.5	0	0	0	108.3	I369 Y373 I375 I391 I488 V556	I369-L393 HydrophobicContact CG2-CD1 4.21Å; I369-L393 HydrophobicContact CG2-CD2 3.38Å; I369-L393 HydrophobicContact CG2-CG 4.46Å; Y373-L393 HydrophobicContact CD1-CB 3.94Å; Y373-L393 HydrophobicContact CD2-CB 4.49Å; Y373-L393 HydrophobicContact CD2-CD1 4.11Å; Y373-L393 HydrophobicContact CE2-CD1 4.41Å; Y373-L393 HydrophobicContact CG-CB 3.86Å; Y373-L393 HydrophobicContact CG-CD1 4.29Å; Y373-L393 HydrophobicContact CG-CD2 4.36Å; Y373-L393 HydrophobicContact CG-CG 4.41Å; I375-L393 HydrophobicContact CB-CD2 4.49Å; I375-L393 HydrophobicContact CG1-CD2 3.82Å; I391-L393 HydrophobicContact CG2-CD2 4.31Å; L393-I488 HydrophobicContact CB-CD1 4.47Å; L393-I488 WeakPolarHBondContact O-CD1 3.34Å; L393-V556 HydrophobicContact CD1-CG1 3.38Å; L393-V556 HydrophobicContact CG-CG1 4.22Å
394	E	53.2	Low	42.7	Very low	50 Å²	50	109.7 Å²	109.7	23%	0.234	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124	173.8	179.5	170.7	-135.8	0	0	108.3	Y373 K374 R396 L486	Y373-E394 CarbonylContact C-O 3.41Å; Y373-E394 WeakPolarHBondContact CA-O 3.45Å; K374-E394 HydrophobicContact CB-CB 4.4Å; K374-E394 PolarHBondContact N-O 3.28Å; K374-E394 IonicContact NZ-OE2 3.48Å; K374-E394 PolarHBondContact NZ-OE2 3.16Å; K374-E394 PolarHBondContact O-N 3.4Å; K374-E394 VanDerWaalsContact O-N 3.08Å; E394-R396 PolarHBondContact O-N 3.05Å; E394-L486 HydrophobicContact CG-CD1 3.89Å
395	P	53.3	Low	41.9	Very low	70 Å²	70	103 Å²	103	46%	0.455	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	132.5	174.9	-21.8	31.4	0	0	0	109.8	Y373 E397	Y373-P395 HydrophobicContact CD1-CG 4.41Å; Y373-P395 HydrophobicContact CE1-CG 4.42Å; P395-E397 PolarHBondContact O-N 3.36Å
396	R	51.1	Low	41.2	Very low	153 Å²	153	106.6 Å²	106.6	58%	0.577	53%	0.534	S	S	*	.			trans	-63.6	112.1	171.9	-92.1	-172.8	-172.8	-170.8	5.4	108.5	R372 E394 V398	R372-R396 PolarHBondContact O-N 3.02Å; E394-R396 PolarHBondContact O-N 3.05Å; R396-V398 PolarHBondContact O-N 2.67Å
397	E	51.4	Low	40.6	Very low	151 Å²	151	106.1 Å²	106.1	71%	0.706	54%	0.538	S	S	*	.			trans	-55.8	114.1	169	-69.5	-177.9	168.7	0	0	108.6	P395 N399	P395-E397 PolarHBondContact O-N 3.36Å; E397-N399 VanDerWaalsContact C-N 3.32Å; E397-N399 PolarHBondContact O-N 3.38Å
398	V	47.1	Very low	40	Very low	129 Å²	129	108 Å²	108	78%	0.782	55%	0.547	S	S	*	.			trans	-71.8	96.3	167.9	-178.5	0	0	0	0	105.3	R396 Q400	R396-V398 PolarHBondContact O-N 2.67Å; V398-Q400 PolarHBondContact O-N 3.45Å
399	N	41.6	Very low	39.3	Very low	130 Å²	130	117.1 Å²	117.1	70%	0.695	58%	0.581	S	S	*	*			trans	-55.4	103	173.2	-75.2	-29.5	0	0	0	108.5	E397 Q401	E397-N399 VanDerWaalsContact C-N 3.32Å; E397-N399 PolarHBondContact O-N 3.38Å; N399-Q401 PolarHBondContact O-N 3.43Å
400	Q	37.9	Very low	38.6	Very low	176 Å²	176	123.1 Å²	123.1	82%	0.822	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-70.8	11.5	174.1	-69.1	-178	-2.7	0	0	112.5	V398 D402	V398-Q400 PolarHBondContact O-N 3.45Å; Q400-D402 VanDerWaalsContact C-N 3.34Å; Q400-D402 PolarHBondContact O-N 3.41Å
401	Q	36.8	Very low	37.5	Very low	166 Å²	166	128.1 Å²	128.1	78%	0.776	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-84.3	-2.3	-171.5	-150.1	61.6	40.4	0	0	114.7	N399 Y403	N399-Q401 PolarHBondContact O-N 3.43Å; Q401-Y403 VanDerWaalsContact C-N 3.34Å
402	D	32.8	Very low	36.4	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-93.6	17.5	176.1	-77.8	-9	0	0	0	113.2	Q400 V404	Q400-D402 VanDerWaalsContact C-N 3.34Å; Q400-D402 PolarHBondContact O-N 3.41Å; D402-V404 PolarHBondContact O-N 3.44Å
403	Y	26.7	Very low	35.2	Very low	199 Å²	199	134.8 Å²	134.8	78%	0.78	70%	0.695	S	S	*	*			trans	-79	69.4	165.5	-143.4	-89.5	0	0	0	109.3	Q401 D405	Q401-Y403 VanDerWaalsContact C-N 3.34Å; Y403-D405 PolarHBondContact O-N 2.93Å
404	V	31	Very low	33.7	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	73%	0.731	S	S	*	*			trans	-79	112.2	168.2	179.2	0	0	0	0	107	D402 T406	D402-V404 PolarHBondContact O-N 3.44Å; V404-T406 PolarHBondContact O-N 3.45Å
405	D	27.9	Very low	32.2	Very low	121 Å²	121	144.8 Å²	144.8	65%	0.647	76%	0.759	S	S	*	*			trans	-40.1	119.2	177.7	-83.2	-43.7	0	0	0	112.6	Y403 S407	Y403-D405 PolarHBondContact O-N 2.93Å; D405-S407 PolarHBondContact O-N 3.44Å
406	T	27.8	Very low	30.8	Very low	139 Å²	139	149.9 Å²	149.9	85%	0.853	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	21	179.9	41.4	0	0	0	0	113.9	V404	V404-T406 PolarHBondContact O-N 3.45Å
407	S	27.5	Very low	29.2	Very low	89 Å²	89	153.9 Å²	153.9	62%	0.622	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-0	-167.7	64.6	0	0	0	0	116.1	D405	D405-S407 PolarHBondContact O-N 3.44Å
408	L	26.5	Very low	27.9	Very low	163 Å²	163	153.9 Å²	153.9	85%	0.853	80%	0.797	S	S	*	*	S	Bend	trans	-110.4	5.9	-176.3	-81.4	168.8	0	0	0	116.7	N410	L408-N410 PolarHBondContact O-N 3.01Å
409	Y	24.1	Very low	26.6	Very low	223 Å²	223	152.9 Å²	152.9	88%	0.875	80%	0.796	S	S	*	*			trans	-103.1	59.2	177.6	-135.8	-93.4	0	0	0	112.5
410	N	23	Very low	25.6	Very low	151 Å²	151	157 Å²	157	81%	0.807	80%	0.803	S	S	*	*			trans	-108.7	123.7	163.7	-85.9	-36	0	0	0	109.1	L408	L408-N410 PolarHBondContact O-N 3.01Å
411	K	23.4	Very low	24.7	Very low	208 Å²	208	155.4 Å²	155.4	90%	0.904	80%	0.8	S	S	*	*			trans	84.9	75.7	151.4	-133.8	174.2	-168.7	177.3	0	117
412	A	23.7	Very low	23.9	Very low	95 Å²	95	152.4 Å²	152.4	79%	0.785	80%	0.798	S	S	*	*			trans	-136	103	145.7	0	0	0	0	0	108.8
413	T	23.7	Very low	23.4	Very low	136 Å²	136	153.4 Å²	153.4	83%	0.834	80%	0.803	S	S	*	*			trans	-48.3	135.5	173	22.2	0	0	0	0	112.7	N415	T413-N415 PolarHBondContact O-N 3.33Å
414	C	17	Very low	23.2	Very low	123 Å²	123	151.3 Å²	151.3	83%	0.831	80%	0.804	S	S	*	*			trans	-46	125.1	167.5	-52.5	0	0	0	0	111.5
415	N	22	Very low	22.8	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	80%	0.804	S	S	*	*			trans	-157.2	138.9	152.6	-92	-22.9	0	0	0	109.5	T413	T413-N415 PolarHBondContact O-N 3.33Å
416	E	24.6	Very low	22.5	Very low	176 Å²	176	151.1 Å²	151.1	82%	0.822	81%	0.808	S	S	*	*			trans	75.4	99.7	161.3	-68.7	176.3	156.4	0	0	119.2	L418	E416-L418 PolarHBondContact O-N 3.5Å
417	Y	17.7	Very low	22.3	Very low	237 Å²	237	150.8 Å²	150.8	93%	0.929	80%	0.801	S	S	*	*			trans	-56	119.1	153.8	-81.6	-101.6	0	0	0	110.9
418	L	23.3	Very low	22.2	Very low	151 Å²	151	152.5 Å²	152.5	79%	0.791	81%	0.808	S	S	*	*			trans	-130.6	106.6	156.2	-92.4	157.2	0	0	0	108.7	E416 Y420	E416-L418 PolarHBondContact O-N 3.5Å; L418-Y420 PolarHBondContact O-N 3.33Å
419	S	19	Very low	22.2	Very low	108 Å²	108	152.8 Å²	152.8	76%	0.755	80%	0.802	S	S	*	*			trans	-70.1	111.7	170.3	177.2	0	0	0	0	109
420	Y	21	Very low	22.5	Very low	216 Å²	216	149.9 Å²	149.9	85%	0.847	80%	0.802	S	S	*	*			trans	-147	141.2	153	-96.2	-78.2	0	0	0	110.9	L418	L418-Y420 PolarHBondContact O-N 3.33Å
421	N	19.8	Very low	22.6	Very low	143 Å²	143	151.3 Å²	151.3	77%	0.765	80%	0.801	S	S	*	*			trans	-61.3	162.5	-169.4	-75.7	-53.6	0	0	0	115.8
422	S	19.4	Very low	22.9	Very low	103 Å²	103	151.9 Å²	151.9	72%	0.72	80%	0.797	S	S	*	*			trans	63.9	95.9	150.2	60.9	0	0	0	0	117.2
423	N	23.1	Very low	23.2	Very low	165 Å²	165	152.1 Å²	152.1	88%	0.882	79%	0.791	S	S	*	*			trans	-156.1	111.1	143.1	-86.5	-40.3	0	0	0	111	S425	N423-S425 PolarHBondContact O-N 2.93Å
424	L	20.9	Very low	23.3	Very low	155 Å²	155	152 Å²	152	81%	0.812	78%	0.78	S	S	*	*			trans	9.1	97.6	148.3	-102	62.3	0	0	0	116.8
425	S	22.9	Very low	24	Very low	105 Å²	105	151 Å²	151	73%	0.734	77%	0.774	S	S	*	*			trans	-94.7	95.8	161.7	166.1	0	0	0	0	109.5	N423 N427	N423-S425 PolarHBondContact O-N 2.93Å; S425-N427 VanDerWaalsContact C-N 3.32Å; S425-N427 PolarHBondContact O-N 3.46Å
426	N	23.1	Very low	24.8	Very low	134 Å²	134	148 Å²	148	72%	0.717	77%	0.766	S	S	*	*			trans	-68.3	83.1	168.3	-68.7	-26.9	0	0	0	110.1	T428	N426-T428 PolarHBondContact O-N 2.96Å
427	N	22.6	Very low	25	Very low	131 Å²	131	144.9 Å²	144.9	70%	0.701	76%	0.755	S	S	*	*			trans	-97.6	81.7	172.2	-143.8	-13.7	0	0	0	109.9	S425 K429	S425-N427 VanDerWaalsContact C-N 3.32Å; S425-N427 PolarHBondContact O-N 3.46Å; N427-K429 PolarHBondContact O-N 2.63Å
428	T	24.4	Very low	25.5	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	74%	0.744	S	S	*	*			trans	-93.4	66.3	177.2	49.8	0	0	0	0	110.8	N426	N426-T428 PolarHBondContact O-N 2.96Å
429	K	27.4	Very low	25.6	Very low	168 Å²	168	143 Å²	143	73%	0.73	75%	0.747	S	S	*	*	S	Bend	trans	-143.6	122.6	166	-65.8	-171.9	179.9	179.4	0	108.9	N427	N427-K429 PolarHBondContact O-N 2.63Å
430	N	29.8	Very low	26	Very low	163 Å²	163	145 Å²	145	87%	0.872	75%	0.749	S	S	*	*			trans	78.7	45.7	165.9	-51.6	-17	0	0	0	119.5	R432	N430-R432 PolarHBondContact O-N 3.27Å
431	K	24.9	Very low	26.3	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.787	75%	0.75	S	S	*	*			trans	-83.8	111.1	162.1	-75.7	-172.9	179	179.8	0	110.6
432	R	29.9	Very low	26.5	Very low	219 Å²	219	145.4 Å²	145.4	83%	0.826	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-46.7	135.7	164.8	-170.3	175.1	-171.6	162	2.2	109.4	N430 H434	N430-R432 PolarHBondContact O-N 3.27Å; R432-H434 PolarHBondContact O-N 3.03Å
433	P	30	Very low	26.7	Very low	100 Å²	100	145.9 Å²	145.9	65%	0.649	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-55.2	120.9	173.3	-19.9	30.3	0	0	0	108.7	S435	P433-S435 PolarHBondContact O-N 3.44Å
434	H	26.3	Very low	26.9	Very low	134 Å²	134	143.6 Å²	143.6	62%	0.62	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-57.5	129.9	-174.9	-66.4	-91	0	0	0	110	R432 S436	R432-H434 PolarHBondContact O-N 3.03Å; H434-S436 PolarHBondContact O-N 2.91Å
435	S	32.7	Very low	27.2	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.3	171.8	-176.8	0	0	0	0	109.2	P433 D437	P433-S435 PolarHBondContact O-N 3.44Å; S435-D437 PolarHBondContact O-N 3.33Å
436	S	38.1	Very low	27.5	Very low	93 Å²	93	148.2 Å²	148.2	65%	0.65	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-61.9	7.3	-162.2	-171.1	0	0	0	0	117.4	H434 D438	H434-S436 PolarHBondContact O-N 2.91Å; S436-D438 PolarHBondContact O-N 2.97Å
437	D	28.4	Very low	27.4	Very low	110 Å²	110	148.3 Å²	148.3	59%	0.588	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-72.1	-10.6	-179.7	-78.7	-10.3	0	0	0	112.8	K118 S435	K118-D437 IonicContact NZ-OD1 3.73Å; K118-D437 IonicContact NZ-OD2 3.35Å; K118-D437 PolarHBondContact NZ-OD2 3.44Å; S435-D437 PolarHBondContact O-N 3.33Å
438	D	27.7	Very low	27.3	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-92.6	-5.2	-176.1	-80.7	-24	0	0	0	116.3	S436 L440	S436-D438 PolarHBondContact O-N 2.97Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 VanDerWaalsContact O-N 3.09Å
439	Y	26.6	Very low	27.4	Very low	216 Å²	216	147.3 Å²	147.3	85%	0.847	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	15	179.8	-82.9	-76	0	0	0	115.1
440	L	27	Very low	27.3	Very low	152 Å²	152	148.7 Å²	148.7	80%	0.796	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	6.2	-173.6	-101.5	160.7	0	0	0	116.5	D438	D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 VanDerWaalsContact O-N 3.09Å
441	L	26.7	Very low	27.1	Very low	168 Å²	168	146.7 Å²	146.7	88%	0.88	75%	0.75	S	S	*	*	S	Bend	trans	-126.4	63.4	175.4	-82.8	105	0	0	0	113.4
442	R	23.6	Very low	27.1	Very low	199 Å²	199	147.6 Å²	147.6	75%	0.751	75%	0.754	S	S	*	*			trans	-160.2	67.8	155.3	-138.6	169.3	-177.7	-122	-14.2	114	E444	R442-E444 IonicContact CZ-OE1 3.67Å; R442-E444 IonicContact NE-OE1 2.89Å; R442-E444 PolarHBondContact NE-OE1 3.1Å; R442-E444 IonicContact NH2-OE1 3.57Å; R442-E444 PolarHBondContact NH2-OE1 3.23Å; R442-E444 IonicContact NH2-OE2 2.63Å; R442-E444 PolarHBondContact NH2-OE2 3.15Å
443	S	25.2	Very low	26.9	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	75%	0.754	S	S	*	*			trans	-110.9	76.6	158.9	42.1	0	0	0	0	108.6	K445	S443-K445 PolarHBondContact O-N 3.22Å
444	E	27.4	Very low	26.7	Very low	117 Å²	117	146.9 Å²	146.9	55%	0.547	76%	0.758	S	S	.	*			trans	-61.8	121.8	164.7	-79	167.6	-159.2	0	0	108.2	R442 H446	R442-E444 IonicContact CZ-OE1 3.67Å; R442-E444 IonicContact NE-OE1 2.89Å; R442-E444 PolarHBondContact NE-OE1 3.1Å; R442-E444 IonicContact NH2-OE1 3.57Å; R442-E444 PolarHBondContact NH2-OE1 3.23Å; R442-E444 IonicContact NH2-OE2 2.63Å; R442-E444 PolarHBondContact NH2-OE2 3.15Å; E444-H446 PolarHBondContact O-N 3.38Å
445	K	26.3	Very low	26.4	Very low	196 Å²	196	145.7 Å²	145.7	85%	0.852	77%	0.771	S	S	*	*			trans	-68.4	89	179.3	-63.9	173.7	179	177.3	0	109.3	S443 T447	S443-K445 PolarHBondContact O-N 3.22Å; K445-T447 PolarHBondContact O-N 3.27Å
446	H	28.6	Very low	26	Very low	161 Å²	161	148.5 Å²	148.5	75%	0.745	78%	0.777	S	S	*	*			trans	-87.2	98.9	162.3	-75.4	-64.2	0	0	0	109.2	E444 C448	E444-H446 PolarHBondContact O-N 3.38Å; H446-C448 PolarHBondContact O-N 3.07Å; H446-C448 VanDerWaalsContact O-N 3.08Å
447	T	20.9	Very low	25.2	Very low	135 Å²	135	148.7 Å²	148.7	83%	0.828	78%	0.778	S	S	*	*			trans	-61.6	97.9	161.7	44.9	0	0	0	0	108.5	K445	K445-T447 PolarHBondContact O-N 3.27Å
448	C	22.4	Very low	24.9	Very low	118 Å²	118	149.4 Å²	149.4	80%	0.797	79%	0.787	S	S	*	*			trans	-100	110.5	168	-164.5	0	0	0	0	107.9	H446 E450	H446-C448 PolarHBondContact O-N 3.07Å; H446-C448 VanDerWaalsContact O-N 3.08Å; C448-E450 PolarHBondContact O-N 3.06Å
449	T	26.2	Very low	24.7	Very low	119 Å²	119	150.6 Å²	150.6	73%	0.73	79%	0.793	S	S	*	*			trans	-63.8	119.1	175.9	41.4	0	0	0	0	110.3	T451	T449-T451 PolarHBondContact O-N 3.27Å; T449-T451 PolarHBondContact O-OG1 3.24Å
450	E	24.9	Very low	24.4	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	79%	0.789	S	S	*	*			trans	-57.6	100.7	174.8	-65.7	176.6	165.1	0	0	110.6	C448	C448-E450 PolarHBondContact O-N 3.06Å
451	T	26.2	Very low	24.1	Very low	121 Å²	121	146 Å²	146	74%	0.742	79%	0.791	S	S	*	*			trans	-97.7	103.6	168.6	-34.2	0	0	0	0	107.3	T449 M453	T449-T451 PolarHBondContact O-N 3.27Å; T449-T451 PolarHBondContact O-OG1 3.24Å; T451-M453 PolarHBondContact O-N 3.42Å
452	K	23.4	Very low	23.8	Very low	200 Å²	200	143.9 Å²	143.9	87%	0.87	79%	0.785	S	S	*	*			trans	-52.2	115.8	168.3	-77.3	173.3	172.7	175	0	109.8
453	M	25.8	Very low	23.5	Very low	167 Å²	167	139.9 Å²	139.9	82%	0.823	79%	0.788	S	S	*	*			trans	-144.9	105.8	153.2	-80.4	-147.8	176.6	0	0	111.1	T451	T451-M453 PolarHBondContact O-N 3.42Å
454	N	25.9	Very low	23.4	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	79%	0.792	S	S	*	*			trans	49.6	105.7	135.4	-59.5	-10.6	0	0	0	118.7	I456	N454-I456 PolarHBondContact O-N 2.99Å
455	A	20.4	Very low	22.9	Very low	109 Å²	109	144 Å²	144	90%	0.901	80%	0.799	S	S	*	*			trans	-53.5	115.8	154.2	0	0	0	0	0	110.1
456	I	24.2	Very low	22.6	Very low	161 Å²	161	140.8 Å²	140.8	83%	0.826	79%	0.791	S	S	*	*			trans	-104.7	122.1	166.3	-63.4	177.7	0	0	0	107.6	N454	N454-I456 PolarHBondContact O-N 2.99Å
457	S	22.6	Very low	22.3	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	80%	0.795	S	S	*	*			trans	-55.8	145.3	-173.7	-173.6	0	0	0	0	114.1	N459	S457-N459 PolarHBondContact O-N 3.26Å
458	T	21	Very low	22.4	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	79%	0.794	S	S	*	*			trans	-56.5	121.1	165	49.1	0	0	0	0	110.6
459	N	23.6	Very low	22.3	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	80%	0.797	S	S	*	*			trans	-148.5	120	154.3	-89.3	-32.5	0	0	0	110.7	S457	S457-N459 PolarHBondContact O-N 3.26Å
460	S	19.9	Very low	22.1	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	80%	0.801	S	S	*	*			trans	-54.7	131.5	167.4	98.5	0	0	0	0	110.3
461	L	20.7	Very low	22	Very low	161 Å²	161	146.1 Å²	146.1	84%	0.843	80%	0.802	S	S	*	*			trans	-160.2	99.1	152.3	-130.8	94.6	0	0	0	107.7
462	V	19.9	Very low	21.8	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	80%	0.802	S	S	*	*				61.3	111.3	106.3	-178.5	0	0	0	0	113.9
463	S	18.5	Very low	21.7	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	80%	0.797	S	S	*	*			trans	-31.8	126.1	166.9	-41.2	0	0	0	0	114.9
464	K	21.9	Very low	21.5	Very low	204 Å²	204	141.3 Å²	141.3	89%	0.887	79%	0.793	S	S	*	*			trans	-134.2	131.9	150.3	-87	-172.2	179	176.6	0	110.8
465	T	18	Very low	21.3	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	80%	0.797	S	S	*	*			trans	-72.6	158.2	-176	47.6	0	0	0	0	112.9
466	N	19.5	Very low	21.4	Very low	129 Å²	129	138.8 Å²	138.8	69%	0.69	78%	0.78	S	S	*	*			trans	90.2	135.1	151.3	-57.9	-20	0	0	0	119.2
467	H	22.2	Very low	21.5	Very low	175 Å²	175	135.8 Å²	135.8	81%	0.81	77%	0.773	S	S	*	*			trans	81.1	94.1	161.6	-53.4	-61.7	0	0	0	117
468	N	23.9	Very low	21.6	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	78%	0.784	S	S	*	*				-174	105.6	92.2	-131.1	-0.9	0	0	0	109	N470	N468-N470 PolarHBondContact O-N 3.02Å
469	E	20.2	Very low	21.9	Very low	182 Å²	182	141.8 Å²	141.8	85%	0.85	78%	0.784	S	S	*	*			trans	-72	119.6	170.6	-64.9	174.1	162.3	0	0	108.3
470	N	22.5	Very low	22	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	78%	0.781	S	S	*	*			trans	-166.3	65.7	156.9	-90.7	-34.6	0	0	0	108.5	N468	N468-N470 PolarHBondContact O-N 3.02Å
471	L	21.4	Very low	22.1	Very low	176 Å²	176	143.3 Å²	143.3	92%	0.921	78%	0.778	S	S	*	*			trans	-119.2	112.5	166.4	-73	173.8	0	0	0	108.4
472	V	21.9	Very low	22.2	Very low	124 Å²	124	141.5 Å²	141.5	75%	0.752	77%	0.769	S	S	*	*			trans	-58.5	130.9	-175.8	174.8	0	0	0	0	111.1	I474	V472-I474 PolarHBondContact O-N 3.5Å
473	P	22.5	Very low	22.4	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	77%	0.774	S	S	*	*			trans	-81.4	100.3	179.1	30.2	-29.8	0	0	0	110.5	S475	P473-S475 PolarHBondContact O-N 2.86Å
474	I	21.4	Very low	22.7	Very low	144 Å²	144	145.4 Å²	145.4	74%	0.738	77%	0.768	S	S	*	*			trans	-88.7	92.3	164	-59.2	177.9	0	0	0	107.8	V472 S476	V472-I474 PolarHBondContact O-N 3.5Å; I474-S476 PolarHBondContact O-N 3.23Å; I474-S476 VanDerWaalsContact O-N 3.08Å
475	S	21.4	Very low	22.8	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	77%	0.766	S	S	*	*			trans	-66.8	90.6	163.2	46.9	0	0	0	0	109.6	P473	P473-S475 PolarHBondContact O-N 2.86Å
476	S	23.1	Very low	23	Very low	75 Å²	75	143.4 Å²	143.4	52%	0.524	76%	0.756	S	S	.	*			trans	-127.8	97.1	158.3	62.9	0	0	0	0	109.2	I474 R478	I474-S476 PolarHBondContact O-N 3.23Å; I474-S476 VanDerWaalsContact O-N 3.08Å; S476-R478 PolarHBondContact O-N 3.23Å
477	S	25.3	Very low	23.3	Very low	99 Å²	99	142.1 Å²	142.1	69%	0.692	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	22.1	175.3	43	0	0	0	0	114.8
478	R	24.8	Very low	23.5	Very low	237 Å²	237	138.3 Å²	138.3	89%	0.894	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-14.9	-176.5	-148.5	168.6	-173.9	168.1	1.3	113.7	S476	S476-R478 PolarHBondContact O-N 3.23Å
479	S	27.3	Very low	23.8	Very low	111 Å²	111	135 Å²	135	78%	0.776	73%	0.726	S	S	*	*	S	Bend	trans	-96.7	-2	-179.4	34.6	0	0	0	0	115
480	Q	25.4	Very low	24.1	Very low	163 Å²	163	131.1 Å²	131.1	76%	0.762	71%	0.712	S	S	*	*	S	Bend	trans	-112.6	-7.8	-175.6	-72.5	-175.8	-9	0	0	116.4
481	N	22.7	Very low	24.3	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	70%	0.704	S	S	*	*	S	Bend	trans	-106.2	16.4	-163	-92.8	-12.1	0	0	0	118.9
482	L	22.2	Very low	24.7	Very low	123 Å²	123	125.8 Å²	125.8	64%	0.644	69%	0.69	S	S	*	*			trans	-137.4	43.2	173	-72.7	174.1	0	0	0	113.4	R484	L482-R484 HydrophobicContact CD2-CG 3.9Å; L482-R484 PolarHBondContact O-N 3.37Å
483	V	25.2	Very low	25.1	Very low	141 Å²	141	125.5 Å²	125.5	86%	0.855	68%	0.678	S	S	*	*			trans	-78.4	64.9	158.8	-172.2	0	0	0	0	107.3
484	R	23.6	Very low	25.4	Very low	179 Å²	179	126.1 Å²	126.1	68%	0.675	68%	0.683	S	S	*	*			trans	-80.9	130.9	-179.6	-77.1	-174.1	177.4	154.5	1.3	109.8	L482 L486	L482-R484 HydrophobicContact CD2-CG 3.9Å; L482-R484 PolarHBondContact O-N 3.37Å; R484-L486 PolarHBondContact O-N 3.36Å
485	H	24.5	Very low	25.8	Very low	184 Å²	184	127.8 Å²	127.8	85%	0.852	69%	0.687	S	S	*	*			trans	-48	121	173.6	-65.1	-91.7	0	0	0	113.6
486	L	22.5	Very low	26.2	Very low	91 Å²	91	127.5 Å²	127.5	48%	0.476	67%	0.669	S	S	.	*			trans	-149.7	113.7	155.3	-75.9	178.2	0	0	0	111.3	F392 E394 R484	F392-L486 WeakPolarHBondContact CD1-O 3.17Å; E394-L486 HydrophobicContact CG-CD1 3.89Å; R484-L486 PolarHBondContact O-N 3.36Å
487	S	24.8	Very low	26.5	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	68%	0.679	S	S	*	*			trans	-83	128.8	165.8	49.8	0	0	0	0	110.1
488	I	27.9	Very low	27	Very low	95 Å²	95	130.3 Å²	130.3	49%	0.487	68%	0.678	S	S	.	*			trans	-136.4	45.5	160.5	-42.6	-171.8	0	0	0	111.2	L393	L393-I488 HydrophobicContact CB-CD1 4.47Å; L393-I488 WeakPolarHBondContact O-CD1 3.34Å
489	V	29.2	Very low	27.9	Very low	84 Å²	84	121.2 Å²	121.2	51%	0.509	65%	0.65	S	S	.	*	S	Bend	trans	-132.6	110.3	152	-176.7	0	0	0	0	105.5	I491	V489-I491 VanDerWaalsContact C-N 3.28Å; V489-I491 PolarHBondContact O-N 2.66Å
490	D	25.6	Very low	29	Very low	102 Å²	102	118.8 Å²	118.8	55%	0.545	63%	0.628	S	S	.	*			trans	-70.3	87.2	178.8	-159.7	-5.9	0	0	0	108.2	S492 K493	D490-S492 VanDerWaalsContact CG-OG 3.23Å; D490-S492 PolarHBondContact O-N 3.03Å; D490-S492 WeakPolarHBondContact OD1-CB 3.42Å; D490-S492 PolarHBondContact OD1-OG 2.88Å; D490-K493 PolarHBondContact O-N 3.27Å
491	I	28.3	Very low	29.9	Very low	128 Å²	128	112.3 Å²	112.3	66%	0.656	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-10.6	177.9	-58.7	170.7	0	0	0	110.5	V489 K493	V489-I491 VanDerWaalsContact C-N 3.28Å; V489-I491 PolarHBondContact O-N 2.66Å; I491-K493 PolarHBondContact O-N 3.27Å
492	S	30	Very low	31.1	Very low	90 Å²	90	107.8 Å²	107.8	63%	0.629	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-14.1	174.7	74.9	0	0	0	0	113.7	D490 P494	D490-S492 VanDerWaalsContact CG-OG 3.23Å; D490-S492 PolarHBondContact O-N 3.03Å; D490-S492 WeakPolarHBondContact OD1-CB 3.42Å; D490-S492 PolarHBondContact OD1-OG 2.88Å; S492-P494 WeakPolarHBondContact O-CD 3.43Å
493	K	29.1	Very low	32.6	Very low	117 Å²	117	110.5 Å²	110.5	51%	0.509	57%	0.574	S	S	.	*	S	Bend	trans	-89.5	111.1	167.5	-71.4	-174.6	-179.5	175.2	0	109.5	D490 I491 Q495 Y496	D490-K493 PolarHBondContact O-N 3.27Å; I491-K493 PolarHBondContact O-N 3.27Å; K493-Q495 PolarHBondContact O-N 3.04Å; K493-Y496 HydrophobicContact CB-CD2 3.79Å; K493-Y496 HydrophobicContact CB-CE2 3.53Å; K493-Y496 HydrophobicContact CD-CE2 3.78Å; K493-Y496 HydrophobicContact CG-CE2 4.18Å
494	P	28.9	Very low	33.9	Very low	132 Å²	132	105.7 Å²	105.7	86%	0.857	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	12.4	-177.5	29.9	-35.3	0	0	0	114.1	S492	S492-P494 WeakPolarHBondContact O-CD 3.43Å
495	Q	30.6	Very low	35.5	Very low	179 Å²	179	99 Å²	99	84%	0.836	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-0.8	-176	-69.2	-175.3	-4.5	0	0	114.3	K493 T497	K493-Q495 PolarHBondContact O-N 3.04Å; Q495-T497 PolarHBondContact O-N 3.39Å
496	Y	29.3	Very low	37	Very low	112 Å²	112	93.5 Å²	93.5	44%	0.439	51%	0.506	S	S	.	.			trans	-86.8	112.1	177	-65.5	-68.1	0	0	0	111.2	K493 V498	K493-Y496 HydrophobicContact CB-CD2 3.79Å; K493-Y496 HydrophobicContact CB-CE2 3.53Å; K493-Y496 HydrophobicContact CD-CE2 3.78Å; K493-Y496 HydrophobicContact CG-CE2 4.18Å; Y496-V498 PolarHBondContact O-N 3.15Å
497	T	28.6	Very low	38.9	Very low	119 Å²	119	91.9 Å²	91.9	73%	0.73	50%	0.498	S	S	*	.			trans	-65.6	125.4	165.8	47.7	0	0	0	0	108.1	Q495 T499	Q495-T497 PolarHBondContact O-N 3.39Å; T497-T499 PolarHBondContact O-N 3.42Å
498	V	36.8	Very low	40.8	Very low	113 Å²	113	87.2 Å²	87.2	69%	0.685	47%	0.465	S	S	*	.			trans	-66.3	85.9	169.8	178.9	0	0	0	0	106.7	Y496 N500	Y496-V498 PolarHBondContact O-N 3.15Å; V498-N500 PolarHBondContact O-N 3.33Å
499	T	43.7	Very low	42.5	Very low	47 Å²	47	86.1 Å²	86.1	29%	0.288	46%	0.46	S	S	.	.			trans	-71.7	119.4	176.3	43.9	0	0	0	0	108.1	T497 W501 T552	T497-T499 PolarHBondContact O-N 3.42Å; T499-W501 VanDerWaalsContact C-N 3.29Å; T499-W501 VanDerWaalsContact O-CD1 3.28Å; T499-W501 PolarHBondContact O-N 3.22Å; T499-T552 HydrophobicContact CG2-CG2 3.71Å
500	N	49.8	Very low	44.5	Very low	59 Å²	59	85.1 Å²	85.1	32%	0.316	45%	0.454	S	S	.	.			trans	-69	88.9	177.4	-171.2	-27.7	0	0	0	109.7	V498 N502 R503 L504	V498-N500 PolarHBondContact O-N 3.33Å; N500-N502 PolarHBondContact O-N 3.18Å; N500-N502 VanDerWaalsContact O-N 3.12Å; N500-N502 WeakPolarHBondContact OD1-CB 3.37Å; N500-N502 PolarHBondContact OD1-N 2.96Å; N500-R503 HydrophobicContact CB-CB 4.45Å; N500-R503 PolarHBondContact O-N 2.93Å; N500-R503 PolarHBondContact OD1-N 3.45Å; N500-L504 PolarHBondContact O-N 3.47Å
501	W	45.4	Very low	46.3	Very low	27 Å²	27	80.3 Å²	80.3	10%	0.102	43%	0.428	C	S	.	.	H	α-helix	trans	-54.7	-29	-178.8	-82.4	98	0	0	0	113.3	I391 T499 S505 Y549 T552 L553 V556	I391-W501 HydrophobicContact CD1-CB 4.17Å; I391-W501 HydrophobicContact CD1-CD2 3.23Å; I391-W501 HydrophobicContact CD1-CE3 3.46Å; I391-W501 VanDerWaalsContact CD1-CE3 3.46Å; I391-W501 HydrophobicContact CD1-CG 3.56Å; I391-W501 HydrophobicContact CD1-CH2 4.29Å; I391-W501 HydrophobicContact CD1-CZ2 4.11Å; I391-W501 HydrophobicContact CD1-CZ3 3.98Å; I391-W501 HydrophobicContact CG1-CB 4.35Å; I391-W501 HydrophobicContact CG1-CD2 4.11Å; I391-W501 HydrophobicContact CG1-CG 3.92Å; T499-W501 VanDerWaalsContact C-N 3.29Å; T499-W501 VanDerWaalsContact O-CD1 3.28Å; T499-W501 PolarHBondContact O-N 3.22Å; W501-S505 WeakPolarHBondContact O-CB 3.46Å; W501-S505 PolarHBondContact O-N 3.42Å; W501-Y549 HydrophobicContact CE3-CE2 4.16Å; W501-Y549 AromaticContact CZ3-CE2 3.85Å; W501-Y549 HydrophobicContact CZ3-CE2 3.85Å; W501-Y549 AromaticContact CZ3-CZ 3.97Å; W501-T552 WeakPolarHBondContact CH2-OG1 3.41Å; W501-L553 HydrophobicContact CH2-CD2 3.69Å; W501-L553 HydrophobicContact CH2-CG 4Å; W501-L553 HydrophobicContact CZ3-CD2 3.95Å; W501-L553 HydrophobicContact CZ3-CG 4.3Å; W501-V556 HydrophobicContact CH2-CG2 4.37Å; W501-V556 HydrophobicContact CZ2-CG2 3.61Å
502	N	46.6	Very low	48.1	Very low	40 Å²	40	77.2 Å²	77.2	21%	0.214	41%	0.408	C	S	.	.	H	α-helix	trans	-63.5	-47.9	176.2	-75.3	-35.6	0	0	0	112.2	N387 L389 N500 S506	N387-N502 PolarHBondContact O-ND2 2.95Å; L389-N502 VanDerWaalsContact CB-ND2 3.32Å; L389-N502 WeakPolarHBondContact CB-ND2 3.29Å; L389-N502 VanDerWaalsContact CB-OD1 3.24Å; L389-N502 WeakPolarHBondContact CB-OD1 3.4Å; L389-N502 VanDerWaalsContact CD1-CG 3.42Å; L389-N502 WeakPolarHBondContact CD1-ND2 3.4Å; L389-N502 WeakPolarHBondContact CD1-OD1 3.3Å; L389-N502 WeakPolarHBondContact CD2-OD1 3.48Å; L389-N502 VanDerWaalsContact CG-OD1 3.22Å; L389-N502 WeakPolarHBondContact CG-OD1 3.42Å; L389-N502 PolarHBondContact N-ND2 3.45Å; N500-N502 PolarHBondContact O-N 3.18Å; N500-N502 VanDerWaalsContact O-N 3.12Å; N500-N502 WeakPolarHBondContact OD1-CB 3.37Å; N500-N502 PolarHBondContact OD1-N 2.96Å; N502-S506 WeakPolarHBondContact O-CB 3.25Å; N502-S506 PolarHBondContact O-N 3.14Å
503	R	53.4	Low	49.7	Very low	180 Å²	180	75.8 Å²	75.8	68%	0.679	40%	0.396	S	S	*	.	H	α-helix	trans	-64.9	-49.2	-178.8	-170.3	175.3	-179.7	175.3	1.7	109.5	N500 S505 S506 D507	N500-R503 HydrophobicContact CB-CB 4.45Å; N500-R503 PolarHBondContact O-N 2.93Å; N500-R503 PolarHBondContact OD1-N 3.45Å; R503-S505 PolarHBondContact O-N 2.82Å; R503-S506 PolarHBondContact O-N 3.08Å; R503-D507 VanDerWaalsContact O-CB 3.26Å; R503-D507 WeakPolarHBondContact O-CB 3.39Å; R503-D507 PolarHBondContact O-N 2.89Å
504	L	53.1	Low	51.4	Low	39 Å²	39	74.1 Å²	74.1	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-42.7	-179.4	-142.7	78.8	0	0	0	112.6	N500 W508 A548 Y549 T552	N500-L504 PolarHBondContact O-N 3.47Å; L504-W508 VanDerWaalsContact O-CB 3.26Å; L504-W508 WeakPolarHBondContact O-CB 3.5Å; L504-W508 PolarHBondContact O-N 3.08Å; L504-A548 HydrophobicContact CD1-CB 4.4Å; L504-Y549 HydrophobicContact CB-CD2 4.18Å; L504-Y549 HydrophobicContact CD2-CD2 3.65Å; L504-Y549 HydrophobicContact CD2-CE2 4.48Å; L504-Y549 HydrophobicContact CD2-CG 4.29Å; L504-Y549 HydrophobicContact CG-CD2 3.83Å; L504-T552 HydrophobicContact CD2-CG2 3.72Å; L504-T552 VanDerWaalsContact CD2-OG1 3.26Å; L504-T552 WeakPolarHBondContact CD2-OG1 3.41Å
505	S	57.6	Low	53	Low	39 Å²	39	68.1 Å²	68.1	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-72.1	-37.6	178.1	-174.6	0	0	0	0	112.5	W501 R503 W508 N509	W501-S505 WeakPolarHBondContact O-CB 3.46Å; W501-S505 PolarHBondContact O-N 3.42Å; R503-S505 PolarHBondContact O-N 2.82Å; S505-W508 PolarHBondContact O-N 2.84Å; S505-N509 WeakPolarHBondContact O-CB 3.48Å; S505-N509 PolarHBondContact O-N 3.48Å; S505-N509 PolarHBondContact O-ND2 2.8Å
506	S	56.6	Low	54.3	Low	68 Å²	68	65.4 Å²	65.4	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-45.6	173.7	-178.3	0	0	0	0	111.5	N502 R503 W508 N509 T510	N502-S506 WeakPolarHBondContact O-CB 3.25Å; N502-S506 PolarHBondContact O-N 3.14Å; R503-S506 PolarHBondContact O-N 3.08Å; S506-W508 VanDerWaalsContact C-N 3.33Å; S506-W508 PolarHBondContact O-N 2.81Å; S506-N509 PolarHBondContact O-N 2.86Å; S506-T510 PolarHBondContact O-N 2.91Å; S506-T510 PolarHBondContact O-OG1 2.92Å
507	D	62.5	Low	55.5	Low	57 Å²	57	66.9 Å²	66.9	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-45.5	176.4	-69.2	-14.5	0	0	0	109.6	R503 T510 V511	R503-D507 VanDerWaalsContact O-CB 3.26Å; R503-D507 WeakPolarHBondContact O-CB 3.39Å; R503-D507 PolarHBondContact O-N 2.89Å; D507-T510 WeakPolarHBondContact O-CA 3.48Å; D507-T510 VanDerWaalsContact O-CB 3.28Å; D507-T510 WeakPolarHBondContact O-CB 3.41Å; D507-T510 PolarHBondContact O-N 3.31Å; D507-T510 VanDerWaalsContact O-N 3.12Å; D507-V511 WeakPolarHBondContact O-CG2 3.43Å; D507-V511 PolarHBondContact O-N 3.13Å
508	W	64.4	Low	56.4	Low	5 Å²	5	63.4 Å²	63.4	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-44.2	176.1	-179.1	-115.6	0	0	0	113.7	L355 C359 I362 L504 S505 S506 T510 V511 R512 A546 Y549	L355-W508 HydrophobicContact CD1-CZ3 4.39Å; C359-W508 HydrophobicContact CB-CH2 4.29Å; C359-W508 HydrophobicContact CB-CZ2 4.05Å; C359-W508 WeakPolarHBondContact SG-CH2 3.3Å; C359-W508 WeakPolarHBondContact SG-CZ2 3.38Å; I362-W508 HydrophobicContact CB-CZ2 4.39Å; I362-W508 HydrophobicContact CD1-CD2 4.31Å; I362-W508 HydrophobicContact CD1-CE3 4.42Å; I362-W508 HydrophobicContact CD1-CH2 3.6Å; I362-W508 HydrophobicContact CD1-CZ2 3.47Å; I362-W508 VanDerWaalsContact CD1-CZ2 3.47Å; I362-W508 HydrophobicContact CD1-CZ3 4.1Å; I362-W508 HydrophobicContact CG1-CZ2 4.5Å; I362-W508 HydrophobicContact CG2-CZ2 4.45Å; L504-W508 VanDerWaalsContact O-CB 3.26Å; L504-W508 WeakPolarHBondContact O-CB 3.5Å; L504-W508 PolarHBondContact O-N 3.08Å; S505-W508 PolarHBondContact O-N 2.84Å; S506-W508 VanDerWaalsContact C-N 3.33Å; S506-W508 PolarHBondContact O-N 2.81Å; W508-T510 PolarHBondContact O-N 2.75Å; W508-V511 HydrophobicContact CE3-CB 4.21Å; W508-V511 HydrophobicContact CE3-CG1 4.31Å; W508-V511 HydrophobicContact CZ3-CB 4.42Å; W508-V511 HydrophobicContact CZ3-CG1 4.02Å; W508-V511 PolarHBondContact O-N 2.83Å; W508-V511 VanDerWaalsContact O-N 3.13Å; W508-R512 WeakPolarHBondContact O-CB 3.5Å; W508-R512 PolarHBondContact O-N 2.94Å; W508-A546 HydrophobicContact CE3-CB 4.36Å; W508-A546 HydrophobicContact CH2-CB 4.04Å; W508-A546 HydrophobicContact CZ3-CB 3.52Å; W508-Y549 HydrophobicContact CB-CD2 4.28Å
509	N	64.2	Low	56.8	Low	72 Å²	72	65.3 Å²	65.3	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-32.9	174.7	-79.1	-42.8	0	0	0	111.5	S505 S506 T513	S505-N509 WeakPolarHBondContact O-CB 3.48Å; S505-N509 PolarHBondContact O-N 3.48Å; S505-N509 PolarHBondContact O-ND2 2.8Å; S506-N509 PolarHBondContact O-N 2.86Å; N509-T513 WeakPolarHBondContact O-CB 3.38Å; N509-T513 VanDerWaalsContact O-CG2 3.24Å; N509-T513 WeakPolarHBondContact O-CG2 3.27Å; N509-T513 PolarHBondContact O-N 2.9Å; N509-T513 PolarHBondContact O-OG1 3.02Å
510	T	69.7	Low	56.8	Low	63 Å²	63	66.4 Å²	66.4	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-42.8	173.7	-55.2	0	0	0	0	111.6	S506 D507 W508 T513 K514	S506-T510 PolarHBondContact O-N 2.91Å; S506-T510 PolarHBondContact O-OG1 2.92Å; D507-T510 WeakPolarHBondContact O-CA 3.48Å; D507-T510 VanDerWaalsContact O-CB 3.28Å; D507-T510 WeakPolarHBondContact O-CB 3.41Å; D507-T510 PolarHBondContact O-N 3.31Å; D507-T510 VanDerWaalsContact O-N 3.12Å; W508-T510 PolarHBondContact O-N 2.75Å; T510-T513 WeakPolarHBondContact CA-OG1 3.47Å; T510-T513 PolarHBondContact O-OG1 2.78Å; T510-K514 HydrophobicContact CG2-CD 4.44Å; T510-K514 WeakPolarHBondContact O-CB 3.18Å; T510-K514 VanDerWaalsContact O-CG 3.28Å; T510-K514 WeakPolarHBondContact O-CG 3.3Å; T510-K514 PolarHBondContact O-N 2.78Å; T510-K514 VanDerWaalsContact O-N 3.09Å
511	V	64.3	Low	56.6	Low	1 Å²	1	67.9 Å²	67.9	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-49.1	174.5	174.5	0	0	0	0	110.9	L355 D507 W508 T513 K514 L515 W542	L355-V511 HydrophobicContact CD1-CG1 4.34Å; L355-V511 HydrophobicContact CD2-CG1 4.23Å; D507-V511 WeakPolarHBondContact O-CG2 3.43Å; D507-V511 PolarHBondContact O-N 3.13Å; W508-V511 HydrophobicContact CE3-CB 4.21Å; W508-V511 HydrophobicContact CE3-CG1 4.31Å; W508-V511 HydrophobicContact CZ3-CB 4.42Å; W508-V511 HydrophobicContact CZ3-CG1 4.02Å; W508-V511 PolarHBondContact O-N 2.83Å; W508-V511 VanDerWaalsContact O-N 3.13Å; V511-T513 PolarHBondContact O-N 2.8Å; V511-K514 PolarHBondContact O-N 3.16Å; V511-K514 VanDerWaalsContact O-N 3.16Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 PolarHBondContact O-N 2.76Å; V511-W542 HydrophobicContact CB-CG 4.44Å; V511-W542 HydrophobicContact CG1-CB 3.78Å; V511-W542 HydrophobicContact CG1-CD2 4.22Å; V511-W542 HydrophobicContact CG1-CG 3.84Å; V511-W542 HydrophobicContact CG2-CB 4.17Å; V511-W542 HydrophobicContact CG2-CG 3.83Å
512	R	65.7	Low	56.7	Low	62 Å²	62	71.5 Å²	71.5	23%	0.234	35%	0.353	C	S	.	.	H	α-helix	trans	-54	-51.7	177.1	177.4	-176.6	-86.5	169.9	-3.8	111.6	E363 W508 K514 L515 Y516	E363-R512 VanDerWaalsContact CD-NH2 3.34Å; E363-R512 IonicContact OE1-CZ 2.97Å; E363-R512 VanDerWaalsContact OE1-CZ 3.26Å; E363-R512 IonicContact OE1-NE 2.87Å; E363-R512 PolarHBondContact OE1-NE 3.14Å; E363-R512 IonicContact OE1-NH2 3.35Å; E363-R512 PolarHBondContact OE1-NH2 3.47Å; W508-R512 WeakPolarHBondContact O-CB 3.5Å; W508-R512 PolarHBondContact O-N 2.94Å; R512-K514 VanDerWaalsContact C-N 3.31Å; R512-K514 PolarHBondContact O-N 2.89Å; R512-L515 PolarHBondContact O-N 3.35Å; R512-Y516 HydrophobicContact CG-CD2 3.5Å; R512-Y516 HydrophobicContact CG-CE2 3.64Å; R512-Y516 WeakPolarHBondContact O-CD2 3.5Å; R512-Y516 PolarHBondContact O-N 2.8Å
513	T	64.5	Low	56.7	Low	61 Å²	61	73.3 Å²	73.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-62.8	-38.5	179.9	48.7	0	0	0	0	111.5	N509 T510 V511 H517	N509-T513 WeakPolarHBondContact O-CB 3.38Å; N509-T513 VanDerWaalsContact O-CG2 3.24Å; N509-T513 WeakPolarHBondContact O-CG2 3.27Å; N509-T513 PolarHBondContact O-N 2.9Å; N509-T513 PolarHBondContact O-OG1 3.02Å; T510-T513 WeakPolarHBondContact CA-OG1 3.47Å; T510-T513 PolarHBondContact O-OG1 2.78Å; V511-T513 PolarHBondContact O-N 2.8Å; T513-H517 WeakPolarHBondContact O-CB 3.45Å; T513-H517 PolarHBondContact O-CD2 3.41Å; T513-H517 PolarHBondContact O-N 2.95Å
514	K	64.1	Low	56.4	Low	82 Å²	82	65.2 Å²	65.2	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-38.5	176.1	-73.8	179.3	-179.3	-175.7	0	113.6	T510 V511 R512 F520 W542	T510-K514 HydrophobicContact CG2-CD 4.44Å; T510-K514 WeakPolarHBondContact O-CB 3.18Å; T510-K514 VanDerWaalsContact O-CG 3.28Å; T510-K514 WeakPolarHBondContact O-CG 3.3Å; T510-K514 PolarHBondContact O-N 2.78Å; T510-K514 VanDerWaalsContact O-N 3.09Å; V511-K514 PolarHBondContact O-N 3.16Å; V511-K514 VanDerWaalsContact O-N 3.16Å; R512-K514 VanDerWaalsContact C-N 3.31Å; R512-K514 PolarHBondContact O-N 2.89Å; K514-F520 HydrophobicContact CB-CD2 4.17Å; K514-F520 HydrophobicContact CB-CE2 4.48Å; K514-F520 HydrophobicContact CG-CD2 4.44Å; K514-F520 HydrophobicContact CG-CE2 4.25Å; K514-W542 HydrophobicContact CB-CH2 4.14Å; K514-W542 HydrophobicContact CB-CZ2 4.26Å; K514-W542 HydrophobicContact CD-CH2 4.23Å; K514-W542 HydrophobicContact CD-CZ2 3.6Å
515	L	61.7	Low	56.2	Low	6 Å²	6	68.5 Å²	68.5	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-57	173.5	-84.2	150.4	0	0	0	111.8	L355 V356 V511 R512 G518 Y539	L355-L515 HydrophobicContact CD2-CD1 3.61Å; L355-L515 HydrophobicContact CD2-CD2 3.95Å; L355-L515 HydrophobicContact CD2-CG 4.05Å; L355-L515 HydrophobicContact CG-CD1 3.66Å; L355-L515 HydrophobicContact CG-CD2 4.28Å; L355-L515 HydrophobicContact CG-CG 4.48Å; V356-L515 HydrophobicContact CG2-CD2 4.33Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 PolarHBondContact O-N 2.76Å; R512-L515 PolarHBondContact O-N 3.35Å; L515-G518 PolarHBondContact O-N 3.06Å; L515-Y539 HydrophobicContact CD2-CE1 4.29Å
516	Y	58.7	Low	55.9	Low	122 Å²	122	70.4 Å²	70.4	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-76.1	-30.3	-171.6	-72	-67.3	0	0	0	113.7	R512 G518	R512-Y516 HydrophobicContact CG-CD2 3.5Å; R512-Y516 HydrophobicContact CG-CE2 3.64Å; R512-Y516 WeakPolarHBondContact O-CD2 3.5Å; R512-Y516 PolarHBondContact O-N 2.8Å; Y516-G518 PolarHBondContact O-N 3.25Å
517	H	54.2	Low	55.9	Low	142 Å²	142	68 Å²	68	66%	0.657	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	8.1	175.9	-69.8	-57.2	0	0	0	113.7	T513 K519	T513-H517 WeakPolarHBondContact O-CB 3.45Å; T513-H517 PolarHBondContact O-CD2 3.41Å; T513-H517 PolarHBondContact O-N 2.95Å; H517-K519 PolarHBondContact O-N 3.42Å
518	G	47.8	Very low	56	Low	47 Å²	47	68.8 Å²	68.8	49%	0.485	35%	0.349	S	S	.	.	S	Bend	trans	65.5	3	160.6	0	0	0	0	0	115.3	L515 Y516 F520	L515-G518 PolarHBondContact O-N 3.06Å; Y516-G518 PolarHBondContact O-N 3.25Å; G518-F520 PolarHBondContact O-N 3.24Å
519	K	44.8	Very low	56.2	Low	153 Å²	153	72.3 Å²	72.3	67%	0.665	37%	0.366	S	S	*	.	S	Bend	trans	-74.3	-11.7	177.7	-74.7	-170.3	178.9	-177.9	0	113	H517 Y522	H517-K519 PolarHBondContact O-N 3.42Å; K519-Y522 WeakPolarHBondContact O-CE2 3.45Å; K519-Y522 PolarHBondContact O-OH 3.14Å
520	F	44.6	Very low	56.6	Low	69 Å²	69	73 Å²	73	30%	0.303	38%	0.376	S	S	.	.	S	Bend	trans	-129.4	2.3	-174.5	-62.9	-76.8	0	0	0	115	K514 G518 Y522 Y539 W542	K514-F520 HydrophobicContact CB-CD2 4.17Å; K514-F520 HydrophobicContact CB-CE2 4.48Å; K514-F520 HydrophobicContact CG-CD2 4.44Å; K514-F520 HydrophobicContact CG-CE2 4.25Å; G518-F520 PolarHBondContact O-N 3.24Å; F520-Y522 HydrophobicContact CD1-CE2 4.34Å; F520-Y522 PolarHBondContact O-N 3.3Å; F520-Y539 PolarHBondContact O-OH 3.05Å; F520-W542 HydrophobicContact CB-CH2 4.42Å; F520-W542 HydrophobicContact CG-CH2 4.45Å
521	L	44.5	Very low	56.5	Low	91 Å²	91	74.2 Å²	74.2	48%	0.476	38%	0.378	S	S	.	.			trans	-81.7	56.7	167.2	-65.6	173.6	0	0	0	108.9	Q352 S523	Q352-L521 HydrophobicContact CG-CD2 4.25Å; L521-S523 PolarHBondContact O-N 2.98Å
522	Y	47.6	Very low	56.9	Low	102 Å²	102	74.1 Å²	74.1	40%	0.4	38%	0.378	S	S	.	.			trans	-70.5	128.5	172.6	-68.7	-77.6	0	0	0	107.8	K519 F520 P524 L527 Q535	K519-Y522 WeakPolarHBondContact O-CE2 3.45Å; K519-Y522 PolarHBondContact O-OH 3.14Å; F520-Y522 HydrophobicContact CD1-CE2 4.34Å; F520-Y522 PolarHBondContact O-N 3.3Å; Y522-P524 WeakPolarHBondContact O-CD 3.48Å; Y522-L527 HydrophobicContact CG-CD1 4.17Å; Y522-Q535 VanDerWaalsContact CD2-NE2 3.27Å
523	S	46.5	Very low	57.4	Low	78 Å²	78	74.6 Å²	74.6	55%	0.545	39%	0.385	S	S	.	.			trans	-54.6	113.8	160.3	177.3	0	0	0	0	106.4	L521 K525	L521-S523 PolarHBondContact O-N 2.98Å; S523-K525 PolarHBondContact O-N 2.98Å
524	P	47.1	Very low	58	Low	10 Å²	10	76.5 Å²	76.5	7%	0.065	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-70.8	-1.5	-168.3	11.3	-8.8	0	0	0	113.9	S345 L348 Y522 N526	S345-P524 VanDerWaalsContact O-CG 3.26Å; S345-P524 WeakPolarHBondContact O-CG 3.41Å; S345-P524 WeakPolarHBondContact OG-CB 3.45Å; S345-P524 WeakPolarHBondContact OG-CG 3.31Å; L348-P524 HydrophobicContact CB-CG 4.31Å; L348-P524 HydrophobicContact CD2-CB 3.83Å; L348-P524 HydrophobicContact CD2-CG 4.02Å; Y522-P524 WeakPolarHBondContact O-CD 3.48Å; P524-N526 PolarHBondContact O-N 3.48Å
525	K	49.1	Very low	58.3	Low	109 Å²	109	73.1 Å²	73.1	47%	0.474	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-64.6	-12.2	-172.6	-63.3	-169.8	174.5	-171.3	0	115	S523	S523-K525 PolarHBondContact O-N 2.98Å
526	N	50.7	Low	59.1	Low	78 Å²	78	74 Å²	74	42%	0.417	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-133.5	7	-171.8	-47	-3.1	0	0	0	113.7	V56 F74 P524	V56-N526 WeakPolarHBondContact CG1-ND2 3.26Å; F74-N526 HydrophobicContact CE1-CB 3.98Å; F74-N526 VanDerWaalsContact CE1-CG 3.41Å; F74-N526 VanDerWaalsContact CE1-OD1 3.23Å; F74-N526 WeakPolarHBondContact CE1-OD1 3.47Å; F74-N526 VanDerWaalsContact CE2-CG 3.48Å; F74-N526 WeakPolarHBondContact CE2-OD1 3.26Å; F74-N526 HydrophobicContact CZ-CB 3.98Å; F74-N526 WeakPolarHBondContact CZ-ND2 3.28Å; F74-N526 WeakPolarHBondContact CZ-OD1 3.46Å; P524-N526 PolarHBondContact O-N 3.48Å
527	L	57.4	Low	60	Low	19 Å²	19	74.1 Å²	74.1	10%	0.099	38%	0.384	C	S	.	.	S	Bend	trans	-81.8	137.9	-177.8	-82.9	156.4	0	0	0	108.9	Y522 Q529 M531 I532 Q535	Y522-L527 HydrophobicContact CG-CD1 4.17Å; L527-Q529 PolarHBondContact O-N 3.06Å; L527-M531 HydrophobicContact CB-CB 4.3Å; L527-M531 HydrophobicContact CD2-CB 3.72Å; L527-M531 HydrophobicContact CD2-CE 3.57Å; L527-M531 HydrophobicContact CD2-CG 4.35Å; L527-M531 HydrophobicContact CD2-SD 3.7Å; L527-I532 HydrophobicContact CB-CD1 4.04Å; L527-I532 HydrophobicContact CB-CG1 3.38Å; L527-I532 VanDerWaalsContact O-CD1 3.3Å; L527-I532 WeakPolarHBondContact O-CD1 3.43Å; L527-Q535 VanDerWaalsContact CD1-OE1 3.26Å
528	P	64.7	Low	61.1	Low	72 Å²	72	69.7 Å²	69.7	47%	0.468	37%	0.366	S	S	.	.			trans	-49.8	141.2	166.5	-24.4	33	0	0	0	109.5	S530 M531 I532	P528-S530 PolarHBondContact O-N 3.19Å; P528-M531 HydrophobicContact CB-CG 4.4Å; P528-M531 HydrophobicContact CG-CG 4.3Å; P528-M531 HydrophobicContact CG-SD 4.19Å; P528-M531 WeakPolarHBondContact O-CA 3.32Å; P528-M531 WeakPolarHBondContact O-CB 3.37Å; P528-M531 PolarHBondContact O-N 3.39Å; P528-I532 PolarHBondContact O-N 2.98Å
529	Q	69.1	Low	62.4	Low	80 Å²	80	67.5 Å²	67.5	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-51.2	-36.4	-178.4	-170	175.1	11.5	0	0	111.9	E340 V341 L527 M531 I532 N533	E340-Q529 PolarHBondContact OE2-NE2 3.23Å; V341-Q529 HydrophobicContact CG2-CB 4.31Å; V341-Q529 HydrophobicContact CG2-CG 4.46Å; L527-Q529 PolarHBondContact O-N 3.06Å; Q529-M531 PolarHBondContact O-N 2.87Å; Q529-I532 PolarHBondContact O-N 3.21Å; Q529-N533 WeakPolarHBondContact O-CB 3.35Å; Q529-N533 PolarHBondContact O-N 3.16Å; Q529-N533 PolarHBondContact O-ND2 3.19Å; Q529-N533 PolarHBondContact O-OD1 3.14Å
530	S	72.2	Confident	64	Low	85 Å²	85	62.7 Å²	62.7	59%	0.594	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-41.5	173.9	58	0	0	0	0	113.9	P528 N533 Q534	P528-S530 PolarHBondContact O-N 3.19Å; S530-N533 PolarHBondContact O-N 3.39Å; S530-Q534 PolarHBondContact O-N 3.48Å
531	M	68.6	Low	65.6	Low	89 Å²	89	66.9 Å²	66.9	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-72.6	-36.4	176.8	-67.9	-169.3	69.1	0	0	112.1	L527 P528 Q529 N533 Q534 Q535	L527-M531 HydrophobicContact CB-CB 4.3Å; L527-M531 HydrophobicContact CD2-CB 3.72Å; L527-M531 HydrophobicContact CD2-CE 3.57Å; L527-M531 HydrophobicContact CD2-CG 4.35Å; L527-M531 HydrophobicContact CD2-SD 3.7Å; P528-M531 HydrophobicContact CB-CG 4.4Å; P528-M531 HydrophobicContact CG-CG 4.3Å; P528-M531 HydrophobicContact CG-SD 4.19Å; P528-M531 WeakPolarHBondContact O-CA 3.32Å; P528-M531 WeakPolarHBondContact O-CB 3.37Å; P528-M531 PolarHBondContact O-N 3.39Å; Q529-M531 PolarHBondContact O-N 2.87Å; M531-N533 VanDerWaalsContact C-N 3.31Å; M531-Q534 PolarHBondContact O-N 2.9Å; M531-Q535 WeakPolarHBondContact O-CB 3.46Å; M531-Q535 WeakPolarHBondContact O-CG 3.32Å; M531-Q535 PolarHBondContact O-N 3.21Å
532	I	70.8	Confident	67.2	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-44	174.2	-60	176.6	0	0	0	109.6	V341 A344 L527 P528 Q529 Q535 L536	V341-I532 HydrophobicContact CG1-CD1 3.81Å; A344-I532 HydrophobicContact CB-CG2 3.6Å; L527-I532 HydrophobicContact CB-CD1 4.04Å; L527-I532 HydrophobicContact CB-CG1 3.38Å; L527-I532 VanDerWaalsContact O-CD1 3.3Å; L527-I532 WeakPolarHBondContact O-CD1 3.43Å; P528-I532 PolarHBondContact O-N 2.98Å; Q529-I532 PolarHBondContact O-N 3.21Å; I532-Q535 PolarHBondContact O-N 2.88Å; I532-L536 HydrophobicContact CG2-CD1 4.01Å; I532-L536 WeakPolarHBondContact O-CG 3.1Å; I532-L536 PolarHBondContact O-N 3.43Å
533	N	76.6	Confident	68.5	Low	71 Å²	71	59.5 Å²	59.5	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-44.8	177.7	-68.1	-14.8	0	0	0	111.8	Q529 S530 M531 Q535 L536 E537	Q529-N533 WeakPolarHBondContact O-CB 3.35Å; Q529-N533 PolarHBondContact O-N 3.16Å; Q529-N533 PolarHBondContact O-ND2 3.19Å; Q529-N533 PolarHBondContact O-OD1 3.14Å; S530-N533 PolarHBondContact O-N 3.39Å; M531-N533 VanDerWaalsContact C-N 3.31Å; N533-Q535 VanDerWaalsContact C-N 3.31Å; N533-Q535 PolarHBondContact O-N 2.81Å; N533-L536 WeakPolarHBondContact O-CB 3.41Å; N533-L536 PolarHBondContact O-N 2.95Å; N533-E537 PolarHBondContact O-N 3.47Å
534	Q	76.9	Confident	70	Confident	101 Å²	101	61.7 Å²	61.7	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-41.7	174.8	-173.9	63.3	55.7	0	0	112	S530 M531 E537 D538	S530-Q534 PolarHBondContact O-N 3.48Å; M531-Q534 PolarHBondContact O-N 2.9Å; Q534-E537 PolarHBondContact O-N 2.95Å; Q534-D538 PolarHBondContact O-N 3.5Å
535	Q	71.6	Confident	71.4	Confident	11 Å²	11	63.3 Å²	63.3	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-43	176.4	-73.8	178.5	5.8	0	0	111.2	L348 Y522 L527 M531 I532 N533 E537 D538 Y539	L348-Q535 HydrophobicContact CD1-CB 3.86Å; L348-Q535 HydrophobicContact CD2-CB 4.1Å; Y522-Q535 VanDerWaalsContact CD2-NE2 3.27Å; L527-Q535 VanDerWaalsContact CD1-OE1 3.26Å; M531-Q535 WeakPolarHBondContact O-CB 3.46Å; M531-Q535 WeakPolarHBondContact O-CG 3.32Å; M531-Q535 PolarHBondContact O-N 3.21Å; I532-Q535 PolarHBondContact O-N 2.88Å; N533-Q535 VanDerWaalsContact C-N 3.31Å; N533-Q535 PolarHBondContact O-N 2.81Å; Q535-E537 VanDerWaalsContact C-N 3.26Å; Q535-E537 PolarHBondContact O-N 2.79Å; Q535-D538 PolarHBondContact O-N 2.92Å; Q535-D538 VanDerWaalsContact O-N 3.16Å; Q535-Y539 HydrophobicContact CB-CD2 4.45Å; Q535-Y539 VanDerWaalsContact O-CD2 3.25Å; Q535-Y539 WeakPolarHBondContact O-CD2 3.32Å; Q535-Y539 PolarHBondContact O-N 2.88Å
536	L	77.3	Confident	72.4	Confident	24 Å²	24	58.1 Å²	58.1	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-55.6	-42.7	175.1	-80.6	161.9	0	0	0	111.7	A344 K347 L348 M351 I532 N533 S540	A344-L536 HydrophobicContact CB-CD1 4.02Å; K347-L536 HydrophobicContact CB-CD2 4.13Å; K347-L536 HydrophobicContact CD-CD2 3.87Å; K347-L536 HydrophobicContact CG-CD2 3.8Å; L348-L536 HydrophobicContact CB-CD2 4.31Å; L348-L536 HydrophobicContact CD1-CD2 4.35Å; L348-L536 HydrophobicContact CD1-CG 4.32Å; M351-L536 HydrophobicContact SD-CD2 3.57Å; M351-L536 VanDerWaalsContact SD-CD2 3.57Å; I532-L536 HydrophobicContact CG2-CD1 4.01Å; I532-L536 WeakPolarHBondContact O-CG 3.1Å; I532-L536 PolarHBondContact O-N 3.43Å; N533-L536 WeakPolarHBondContact O-CB 3.41Å; N533-L536 PolarHBondContact O-N 2.95Å; L536-S540 WeakPolarHBondContact O-CB 3.39Å; L536-S540 PolarHBondContact O-N 3.37Å
537	E	79.2	Confident	73.6	Confident	125 Å²	125	58.3 Å²	58.3	58%	0.584	29%	0.293	S	S	*	.	H	α-helix	trans	-64	-46.5	175	-70.6	178.3	-174.9	0	0	112.4	N533 Q534 Q535 Y539 S540 R541	N533-E537 PolarHBondContact O-N 3.47Å; Q534-E537 PolarHBondContact O-N 2.95Å; Q535-E537 VanDerWaalsContact C-N 3.26Å; Q535-E537 PolarHBondContact O-N 2.79Å; E537-Y539 PolarHBondContact O-N 3.17Å; E537-S540 WeakPolarHBondContact O-CB 3.21Å; E537-S540 PolarHBondContact O-N 3.02Å; E537-R541 PolarHBondContact O-N 2.96Å
538	D	77.2	Confident	74.5	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-46.7	178.7	-76.4	-21.3	0	0	0	111.8	Q534 Q535 R541 W542	Q534-D538 PolarHBondContact O-N 3.5Å; Q535-D538 PolarHBondContact O-N 2.92Å; Q535-D538 VanDerWaalsContact O-N 3.16Å; D538-R541 PolarHBondContact O-N 3.06Å; D538-W542 HydrophobicContact CB-CH2 4.48Å; D538-W542 HydrophobicContact CB-CZ2 4.12Å; D538-W542 VanDerWaalsContact O-CD1 3.27Å; D538-W542 PolarHBondContact O-N 3.27Å
539	Y	73.9	Confident	74.8	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-35.4	178.1	-84.5	-88.9	0	0	0	112	L348 Q352 L355 L515 F520 Q535 E537 R541 W542 L543	L348-Y539 HydrophobicContact CD1-CD2 3.46Å; L348-Y539 VanDerWaalsContact CD1-CD2 3.46Å; L348-Y539 HydrophobicContact CD1-CE2 3.9Å; L348-Y539 HydrophobicContact CD1-CG 4.03Å; Q352-Y539 HydrophobicContact CB-CE1 4.18Å; Q352-Y539 HydrophobicContact CG-CD1 3.94Å; Q352-Y539 HydrophobicContact CG-CE1 3.23Å; Q352-Y539 HydrophobicContact CG-CE2 4.18Å; Q352-Y539 WeakPolarHBondContact CG-OH 3.41Å; Q352-Y539 PolarHBondContact NE2-OH 3.29Å; Q352-Y539 VanDerWaalsContact NE2-OH 3.14Å; L355-Y539 HydrophobicContact CD2-CD1 3.76Å; L355-Y539 HydrophobicContact CD2-CE1 4.01Å; L515-Y539 HydrophobicContact CD2-CE1 4.29Å; F520-Y539 PolarHBondContact O-OH 3.05Å; Q535-Y539 HydrophobicContact CB-CD2 4.45Å; Q535-Y539 VanDerWaalsContact O-CD2 3.25Å; Q535-Y539 WeakPolarHBondContact O-CD2 3.32Å; Q535-Y539 PolarHBondContact O-N 2.88Å; E537-Y539 PolarHBondContact O-N 3.17Å; Y539-R541 VanDerWaalsContact C-N 3.34Å; Y539-W542 AromaticContact CD1-CE3 3.82Å; Y539-W542 HydrophobicContact CD1-CE3 3.82Å; Y539-W542 HydrophobicContact CD1-CZ3 4.1Å; Y539-W542 HydrophobicContact CD2-CE3 4.31Å; Y539-W542 HydrophobicContact CD2-CZ3 4.04Å; Y539-W542 AromaticContact CE1-CE3 3.9Å; Y539-W542 HydrophobicContact CE1-CE3 3.9Å; Y539-W542 AromaticContact CE1-CZ3 3.8Å; Y539-W542 HydrophobicContact CE1-CZ3 3.8Å; Y539-W542 HydrophobicContact CE2-CE3 4.44Å; Y539-W542 AromaticContact CE2-CZ3 3.8Å; Y539-W542 HydrophobicContact CE2-CZ3 3.8Å; Y539-W542 HydrophobicContact CG-CE3 4.03Å; Y539-W542 HydrophobicContact CG-CZ3 4.21Å; Y539-W542 AromaticContact CZ-CZ3 3.66Å; Y539-W542 PolarHBondContact O-N 3.35Å; Y539-L543 WeakPolarHBondContact O-CG 3.46Å; Y539-L543 PolarHBondContact O-N 3.09Å
540	S	78.2	Confident	74.9	Confident	52 Å²	52	53 Å²	53	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-47.1	173.8	-166.6	0	0	0	0	110.4	M351 L536 E537 W542 L543 E544	M351-S540 VanDerWaalsContact CE-CA 3.5Å; L536-S540 WeakPolarHBondContact O-CB 3.39Å; L536-S540 PolarHBondContact O-N 3.37Å; E537-S540 WeakPolarHBondContact O-CB 3.21Å; E537-S540 PolarHBondContact O-N 3.02Å; S540-W542 VanDerWaalsContact C-N 3.3Å; S540-W542 PolarHBondContact O-N 3.1Å; S540-L543 PolarHBondContact O-N 3.34Å; S540-E544 WeakPolarHBondContact O-CG 3.26Å; S540-E544 PolarHBondContact O-N 3.06Å
541	R	79.1	Confident	75.2	Confident	158 Å²	158	54.5 Å²	54.5	60%	0.596	26%	0.264	S	S	*	.	H	α-helix	trans	-63.2	-36.3	177	-171.2	178.8	-179	-170.8	0	112.4	E537 D538 Y539 Q545	E537-R541 PolarHBondContact O-N 2.96Å; D538-R541 PolarHBondContact O-N 3.06Å; Y539-R541 VanDerWaalsContact C-N 3.34Å; R541-Q545 VanDerWaalsContact O-CG 3.32Å; R541-Q545 WeakPolarHBondContact O-CG 3.37Å; R541-Q545 PolarHBondContact O-N 3.02Å; R541-Q545 VanDerWaalsContact O-N 3.11Å
542	W	78.2	Confident	75.2	Confident	13 Å²	13	50.9 Å²	50.9	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-37.8	176.7	-64.1	-11.9	0	0	0	112.5	L355 V511 K514 F520 D538 Y539 S540 Q545 A546	L355-W542 HydrophobicContact CD1-CB 4.15Å; L355-W542 HydrophobicContact CD2-CB 3.66Å; L355-W542 HydrophobicContact CD2-CD2 4.36Å; L355-W542 HydrophobicContact CD2-CE3 3.72Å; L355-W542 HydrophobicContact CD2-CG 4.4Å; V511-W542 HydrophobicContact CB-CG 4.44Å; V511-W542 HydrophobicContact CG1-CB 3.78Å; V511-W542 HydrophobicContact CG1-CD2 4.22Å; V511-W542 HydrophobicContact CG1-CG 3.84Å; V511-W542 HydrophobicContact CG2-CB 4.17Å; V511-W542 HydrophobicContact CG2-CG 3.83Å; K514-W542 HydrophobicContact CB-CH2 4.14Å; K514-W542 HydrophobicContact CB-CZ2 4.26Å; K514-W542 HydrophobicContact CD-CH2 4.23Å; K514-W542 HydrophobicContact CD-CZ2 3.6Å; F520-W542 HydrophobicContact CB-CH2 4.42Å; F520-W542 HydrophobicContact CG-CH2 4.45Å; D538-W542 HydrophobicContact CB-CH2 4.48Å; D538-W542 HydrophobicContact CB-CZ2 4.12Å; D538-W542 VanDerWaalsContact O-CD1 3.27Å; D538-W542 PolarHBondContact O-N 3.27Å; Y539-W542 AromaticContact CD1-CE3 3.82Å; Y539-W542 HydrophobicContact CD1-CE3 3.82Å; Y539-W542 HydrophobicContact CD1-CZ3 4.1Å; Y539-W542 HydrophobicContact CD2-CE3 4.31Å; Y539-W542 HydrophobicContact CD2-CZ3 4.04Å; Y539-W542 AromaticContact CE1-CE3 3.9Å; Y539-W542 HydrophobicContact CE1-CE3 3.9Å; Y539-W542 AromaticContact CE1-CZ3 3.8Å; Y539-W542 HydrophobicContact CE1-CZ3 3.8Å; Y539-W542 HydrophobicContact CE2-CE3 4.44Å; Y539-W542 AromaticContact CE2-CZ3 3.8Å; Y539-W542 HydrophobicContact CE2-CZ3 3.8Å; Y539-W542 HydrophobicContact CG-CE3 4.03Å; Y539-W542 HydrophobicContact CG-CZ3 4.21Å; Y539-W542 AromaticContact CZ-CZ3 3.66Å; Y539-W542 PolarHBondContact O-N 3.35Å; S540-W542 VanDerWaalsContact C-N 3.3Å; S540-W542 PolarHBondContact O-N 3.1Å; W542-Q545 PolarHBondContact O-N 3.11Å; W542-A546 WeakPolarHBondContact O-CB 3.34Å; W542-A546 PolarHBondContact O-N 3.43Å
543	L	73.8	Confident	75	Confident	25 Å²	25	51.4 Å²	51.4	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-44.2	173.4	-76.2	168.4	0	0	0	111.4	M351 E354 L355 Y539 S540 Q545 A546 E547	M351-L543 HydrophobicContact CB-CD1 4.02Å; M351-L543 HydrophobicContact CE-CD1 3.89Å; M351-L543 HydrophobicContact CG-CD1 4.09Å; E354-L543 HydrophobicContact CB-CD2 4.16Å; E354-L543 HydrophobicContact CG-CD2 3.81Å; L355-L543 HydrophobicContact CB-CD2 3.93Å; L355-L543 HydrophobicContact CB-CG 4.5Å; L355-L543 HydrophobicContact CD1-CD2 4.04Å; L355-L543 HydrophobicContact CD1-CG 4.4Å; Y539-L543 WeakPolarHBondContact O-CG 3.46Å; Y539-L543 PolarHBondContact O-N 3.09Å; S540-L543 PolarHBondContact O-N 3.34Å; L543-Q545 VanDerWaalsContact C-N 3.32Å; L543-Q545 PolarHBondContact O-N 3.3Å; L543-A546 WeakPolarHBondContact O-CB 3.37Å; L543-A546 PolarHBondContact O-N 2.99Å; L543-E547 PolarHBondContact O-N 3.03Å
544	E	79.1	Confident	74.8	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	26%	0.258	S	S	*	.	H	α-helix	trans	-60.1	-40.8	175	-72	174.6	-173.2	0	0	112.4	S540 E547 A548	S540-E544 WeakPolarHBondContact O-CG 3.26Å; S540-E544 PolarHBondContact O-N 3.06Å; E544-E547 PolarHBondContact O-N 3.44Å; E544-A548 WeakPolarHBondContact O-CB 3.19Å; E544-A548 PolarHBondContact O-N 3.13Å
545	Q	76.7	Confident	74.4	Confident	44 Å²	44	52.2 Å²	52.2	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-41.3	175.6	-74.1	174.2	19.7	0	0	112.1	R541 W542 L543 E547 A548 Y549	R541-Q545 VanDerWaalsContact O-CG 3.32Å; R541-Q545 WeakPolarHBondContact O-CG 3.37Å; R541-Q545 PolarHBondContact O-N 3.02Å; R541-Q545 VanDerWaalsContact O-N 3.11Å; W542-Q545 PolarHBondContact O-N 3.11Å; L543-Q545 VanDerWaalsContact C-N 3.32Å; L543-Q545 PolarHBondContact O-N 3.3Å; Q545-E547 VanDerWaalsContact C-N 3.33Å; Q545-A548 PolarHBondContact O-N 3.09Å; Q545-Y549 WeakPolarHBondContact O-CB 3.31Å; Q545-Y549 PolarHBondContact O-N 2.8Å
546	A	69	Low	73.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.1	0	0	0	0	0	110.8	L355 W358 I362 W508 W542 L543 Y549 M550	L355-A546 HydrophobicContact CD1-CB 4.1Å; W358-A546 HydrophobicContact CB-CB 4.05Å; W358-A546 HydrophobicContact CD2-CB 4.05Å; W358-A546 HydrophobicContact CE3-CB 3.81Å; W358-A546 HydrophobicContact CG-CB 4.12Å; W358-A546 VanDerWaalsContact CZ3-C 3.5Å; W358-A546 WeakPolarHBondContact CZ3-O 3.43Å; I362-A546 HydrophobicContact CD1-CB 4.41Å; W508-A546 HydrophobicContact CE3-CB 4.36Å; W508-A546 HydrophobicContact CH2-CB 4.04Å; W508-A546 HydrophobicContact CZ3-CB 3.52Å; W542-A546 WeakPolarHBondContact O-CB 3.34Å; W542-A546 PolarHBondContact O-N 3.43Å; L543-A546 WeakPolarHBondContact O-CB 3.37Å; L543-A546 PolarHBondContact O-N 2.99Å; A546-Y549 WeakPolarHBondContact O-CB 3.44Å; A546-Y549 PolarHBondContact O-N 3Å; A546-M550 PolarHBondContact O-N 3.21Å
547	E	76.1	Confident	73.6	Confident	82 Å²	82	57.5 Å²	57.5	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-47.2	178.8	-162.7	-169.7	158.1	0	0	112.3	W358 L543 E544 Q545 Y549 M550 K551	W358-E547 VanDerWaalsContact CH2-CA 3.48Å; W358-E547 HydrophobicContact CH2-CB 3.96Å; W358-E547 HydrophobicContact CH2-CG 3.79Å; W358-E547 HydrophobicContact CZ2-CB 4.29Å; W358-E547 HydrophobicContact CZ2-CG 4.12Å; W358-E547 VanDerWaalsContact CZ3-CA 3.4Å; W358-E547 HydrophobicContact CZ3-CB 4.34Å; L543-E547 PolarHBondContact O-N 3.03Å; E544-E547 PolarHBondContact O-N 3.44Å; Q545-E547 VanDerWaalsContact C-N 3.33Å; E547-Y549 VanDerWaalsContact C-N 3.28Å; E547-Y549 PolarHBondContact O-N 3.32Å; E547-M550 PolarHBondContact O-N 3.48Å; E547-K551 WeakPolarHBondContact O-CG 3.45Å; E547-K551 PolarHBondContact O-N 3.46Å; E547-K551 WeakPolarHBondContact OE1-CE 3.36Å; E547-K551 IonicContact OE1-NZ 3.4Å; E547-K551 PolarHBondContact OE1-NZ 3.37Å
548	A	76.7	Confident	73.3	Confident	40 Å²	40	53.9 Å²	53.9	33%	0.331	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-42.7	174	0	0	0	0	0	111.3	L504 E544 Q545 K551 T552	L504-A548 HydrophobicContact CD1-CB 4.4Å; E544-A548 WeakPolarHBondContact O-CB 3.19Å; E544-A548 PolarHBondContact O-N 3.13Å; Q545-A548 PolarHBondContact O-N 3.09Å; A548-K551 PolarHBondContact O-N 3.41Å; A548-T552 WeakPolarHBondContact O-CG2 3.47Å; A548-T552 PolarHBondContact O-N 3.1Å; A548-T552 VanDerWaalsContact O-N 3.09Å
549	Y	71.4	Confident	73.1	Confident	12 Å²	12	54.2 Å²	54.2	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-47.3	177.8	-165.1	-96.6	0	0	0	112.5	I362 L366 W501 L504 W508 Q545 A546 E547 K551 T552 L553	I362-Y549 HydrophobicContact CD1-CD1 3.93Å; I362-Y549 HydrophobicContact CG1-CD1 4.1Å; I362-Y549 HydrophobicContact CG2-CD1 3.71Å; I362-Y549 HydrophobicContact CG2-CE1 3.51Å; L366-Y549 HydrophobicContact CD1-CE1 4.45Å; W501-Y549 HydrophobicContact CE3-CE2 4.16Å; W501-Y549 AromaticContact CZ3-CE2 3.85Å; W501-Y549 HydrophobicContact CZ3-CE2 3.85Å; W501-Y549 AromaticContact CZ3-CZ 3.97Å; L504-Y549 HydrophobicContact CB-CD2 4.18Å; L504-Y549 HydrophobicContact CD2-CD2 3.65Å; L504-Y549 HydrophobicContact CD2-CE2 4.48Å; L504-Y549 HydrophobicContact CD2-CG 4.29Å; L504-Y549 HydrophobicContact CG-CD2 3.83Å; W508-Y549 HydrophobicContact CB-CD2 4.28Å; Q545-Y549 WeakPolarHBondContact O-CB 3.31Å; Q545-Y549 PolarHBondContact O-N 2.8Å; A546-Y549 WeakPolarHBondContact O-CB 3.44Å; A546-Y549 PolarHBondContact O-N 3Å; E547-Y549 VanDerWaalsContact C-N 3.28Å; E547-Y549 PolarHBondContact O-N 3.32Å; Y549-K551 PolarHBondContact O-N 3.14Å; Y549-T552 PolarHBondContact O-N 3.43Å; Y549-T552 PolarHBondContact O-OG1 3Å; Y549-L553 HydrophobicContact CD1-CD1 3.66Å; Y549-L553 HydrophobicContact CD1-CG 4.14Å; Y549-L553 HydrophobicContact CE1-CD1 3.41Å; Y549-L553 VanDerWaalsContact CE1-CD1 3.41Å; Y549-L553 HydrophobicContact CE1-CD2 4.39Å; Y549-L553 HydrophobicContact CE1-CG 3.89Å; Y549-L553 PolarHBondContact O-N 3.33Å
550	M	71.8	Confident	73.1	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-36	175.7	-72.5	-76.1	-77.9	0	0	113.2	W358 E361 I362 R365 A546 E547 T552 L553 Q554	W358-M550 HydrophobicContact CE3-CB 4.21Å; W358-M550 HydrophobicContact CE3-CG 3.47Å; W358-M550 VanDerWaalsContact CE3-CG 3.47Å; W358-M550 HydrophobicContact CH2-CB 3.89Å; W358-M550 HydrophobicContact CH2-CG 4.01Å; W358-M550 HydrophobicContact CZ3-CB 3.28Å; W358-M550 HydrophobicContact CZ3-CG 3.04Å; E361-M550 HydrophobicContact CG-CE 3.6Å; I362-M550 HydrophobicContact CB-SD 4.18Å; I362-M550 HydrophobicContact CD1-CG 4.03Å; I362-M550 HydrophobicContact CG1-CG 3.42Å; I362-M550 VanDerWaalsContact CG1-CG 3.42Å; I362-M550 HydrophobicContact CG1-SD 3.35Å; I362-M550 WeakPolarHBondContact CG1-SD 3.32Å; R365-M550 HydrophobicContact CG-CE 3.96Å; R365-M550 HydrophobicContact CG-SD 4.24Å; A546-M550 PolarHBondContact O-N 3.21Å; E547-M550 PolarHBondContact O-N 3.48Å; M550-T552 PolarHBondContact O-N 2.9Å; M550-L553 CarbonylContact O-C 3.59Å; M550-L553 PolarHBondContact O-N 3.42Å; M550-L553 VanDerWaalsContact O-N 3.12Å; M550-L553 HydrophobicContact SD-CD1 4Å; M550-Q554 WeakPolarHBondContact O-CB 3.43Å; M550-Q554 VanDerWaalsContact O-CG 3.27Å; M550-Q554 WeakPolarHBondContact O-CG 3.37Å; M550-Q554 PolarHBondContact O-N 3.36Å
551	K	77	Confident	72.7	Confident	118 Å²	118	57.7 Å²	57.7	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-41.1	175	-77	176.2	-177.7	165.7	0	110.8	E547 A548 Y549 Q554 S555	E547-K551 WeakPolarHBondContact O-CG 3.45Å; E547-K551 PolarHBondContact O-N 3.46Å; E547-K551 WeakPolarHBondContact OE1-CE 3.36Å; E547-K551 IonicContact OE1-NZ 3.4Å; E547-K551 PolarHBondContact OE1-NZ 3.37Å; A548-K551 PolarHBondContact O-N 3.41Å; Y549-K551 PolarHBondContact O-N 3.14Å; K551-Q554 PolarHBondContact O-N 3.3Å; K551-S555 PolarHBondContact O-N 3.12Å; K551-S555 VanDerWaalsContact O-N 3.08Å
552	T	69.7	Low	72.3	Confident	12 Å²	12	51 Å²	51	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-41.4	174	60.7	0	0	0	0	112.8	T499 W501 L504 A548 Y549 M550 Q554 S555 V556	T499-T552 HydrophobicContact CG2-CG2 3.71Å; W501-T552 WeakPolarHBondContact CH2-OG1 3.41Å; L504-T552 HydrophobicContact CD2-CG2 3.72Å; L504-T552 VanDerWaalsContact CD2-OG1 3.26Å; L504-T552 WeakPolarHBondContact CD2-OG1 3.41Å; A548-T552 WeakPolarHBondContact O-CG2 3.47Å; A548-T552 PolarHBondContact O-N 3.1Å; A548-T552 VanDerWaalsContact O-N 3.09Å; Y549-T552 PolarHBondContact O-N 3.43Å; Y549-T552 PolarHBondContact O-OG1 3Å; M550-T552 PolarHBondContact O-N 2.9Å; T552-Q554 VanDerWaalsContact C-N 3.28Å; T552-Q554 PolarHBondContact O-N 3.4Å; T552-S555 PolarHBondContact O-N 3.3Å; T552-S555 PolarHBondContact O-OG 3.36Å; T552-V556 WeakPolarHBondContact O-CG2 3.38Å; T552-V556 PolarHBondContact O-N 3.46Å
553	L	66	Low	71.9	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-28.3	175.5	-76.1	176	0	0	0	113.6	I362 R365 L366 I369 W501 Y549 M550 V556	I362-L553 HydrophobicContact CG2-CD1 4.06Å; R365-L553 HydrophobicContact CB-CD1 4.47Å; L366-L553 HydrophobicContact CD2-CD1 4.42Å; L366-L553 HydrophobicContact CD2-CD2 3.76Å; L366-L553 HydrophobicContact CG-CD1 4.34Å; I369-L553 HydrophobicContact CD1-CD2 3.98Å; W501-L553 HydrophobicContact CH2-CD2 3.69Å; W501-L553 HydrophobicContact CH2-CG 4Å; W501-L553 HydrophobicContact CZ3-CD2 3.95Å; W501-L553 HydrophobicContact CZ3-CG 4.3Å; Y549-L553 HydrophobicContact CD1-CD1 3.66Å; Y549-L553 HydrophobicContact CD1-CG 4.14Å; Y549-L553 HydrophobicContact CE1-CD1 3.41Å; Y549-L553 VanDerWaalsContact CE1-CD1 3.41Å; Y549-L553 HydrophobicContact CE1-CD2 4.39Å; Y549-L553 HydrophobicContact CE1-CG 3.89Å; Y549-L553 PolarHBondContact O-N 3.33Å; M550-L553 CarbonylContact O-C 3.59Å; M550-L553 PolarHBondContact O-N 3.42Å; M550-L553 VanDerWaalsContact O-N 3.12Å; M550-L553 HydrophobicContact SD-CD1 4Å; L553-V556 VanDerWaalsContact O-OXT 3.06Å
554	Q	72.5	Confident	71.8	Confident	120 Å²	120	55.9 Å²	55.9	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-79.4	-25.9	176	-74.7	175.6	-8.1	0	0	112.4	M550 K551 T552 V556	M550-Q554 WeakPolarHBondContact O-CB 3.43Å; M550-Q554 VanDerWaalsContact O-CG 3.27Å; M550-Q554 WeakPolarHBondContact O-CG 3.37Å; M550-Q554 PolarHBondContact O-N 3.36Å; K551-Q554 PolarHBondContact O-N 3.3Å; T552-Q554 VanDerWaalsContact C-N 3.28Å; T552-Q554 PolarHBondContact O-N 3.4Å; Q554-V556 VanDerWaalsContact C-N 3.3Å
555	S	67.4	Low	71.2	Confident	69 Å²	69	50.3 Å²	50.3	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-75.4	-21.9	174	69.6	0	0	0	0	113.6	K551 T552	K551-S555 PolarHBondContact O-N 3.12Å; K551-S555 VanDerWaalsContact O-N 3.08Å; T552-S555 PolarHBondContact O-N 3.3Å; T552-S555 PolarHBondContact O-OG 3.36Å
556	V	59.9	Low	70.7	Confident	88 Å²	88	50.9 Å²	50.9	53%	0.533	28%	0.275	S	S	.	.			trans	-85.6	0	173.3	172.4	0	0	0	0	109.4	L393 W501 T552 L553 Q554	L393-V556 HydrophobicContact CD1-CG1 3.38Å; L393-V556 HydrophobicContact CG-CG1 4.22Å; W501-V556 HydrophobicContact CH2-CG2 4.37Å; W501-V556 HydrophobicContact CZ2-CG2 3.61Å; T552-V556 WeakPolarHBondContact O-CG2 3.38Å; T552-V556 PolarHBondContact O-N 3.46Å; L553-V556 VanDerWaalsContact O-OXT 3.06Å; Q554-V556 VanDerWaalsContact C-N 3.3Å

Retrieved 556 of 556 residues in 225.1 ms (Link to these results)

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