A0A077Z4W6_TRITR Loading...

DEP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 688 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	49	Very low	244 Å²	244	122.7 Å²	122.7	100%	1.202	68%	0.681	S	S	*	*				0	114.5	0	-72.3	-175	172.1	0	0	107.7
2	T	35.6	Very low	51.2	Low	124 Å²	124	118.5 Å²	118.5	76%	0.761	67%	0.673	S	S	*	*			trans	-58.3	133.7	-172.5	40.3	0	0	0	0	111.7	S4	T2-S4 PolarHBondContact O-N 2.75Å
3	T	36.5	Very low	53.2	Low	154 Å²	154	112.6 Å²	112.6	95%	0.945	64%	0.641	S	S	*	*			trans	-71.3	55.9	174.1	43.2	0	0	0	0	111.4
4	S	39.7	Very low	54.9	Low	59 Å²	59	110.6 Å²	110.6	41%	0.413	63%	0.627	S	S	.	*			trans	-109.2	102	167.3	53.5	0	0	0	0	106.7	T2	T2-S4 PolarHBondContact O-N 2.75Å
5	N	45.1	Very low	56.9	Low	128 Å²	128	108.9 Å²	108.9	68%	0.684	61%	0.61	S	S	*	*	S	Bend	trans	-175.2	-0.2	159.7	-93.6	-17.9	0	0	0	116.2
6	A	45.3	Very low	58.7	Low	87 Å²	87	104.9 Å²	104.9	72%	0.719	58%	0.583	S	S	*	*	S	Bend	trans	-91.4	-29.2	173	0	0	0	0	0	113.7
7	T	48.3	Very low	60.1	Low	103 Å²	103	98.8 Å²	98.8	63%	0.632	55%	0.549	S	S	*	.	S	Bend	trans	-81	-26.7	-175.2	43.4	0	0	0	0	113.9
8	E	56.1	Low	61.5	Low	130 Å²	130	96.1 Å²	96.1	61%	0.607	53%	0.533	S	S	*	.	S	Bend	trans	-73	-40.1	177.1	-66.2	-174.1	174.2	0	0	111.9	Y10 S11	E8-Y10 PolarHBondContact O-N 3.23Å; E8-S11 WeakPolarHBondContact O-CB 3.15Å; E8-S11 PolarHBondContact O-N 3.29Å; E8-S11 VanDerWaalsContact O-N 3.09Å; E8-S11 PolarHBondContact O-OG 3.29Å
9	K	55.7	Low	62.9	Low	138 Å²	138	91.1 Å²	91.1	60%	0.6	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	116.3	172.7	-161.3	173.9	-178.6	174.5	0	107.2
10	Y	69.8	Low	64.1	Low	116 Å²	116	86.6 Å²	86.6	46%	0.455	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	12.2	-173.1	-36.4	-67.1	0	0	0	116.8	E8 A12 T13 L14	E8-Y10 PolarHBondContact O-N 3.23Å; Y10-A12 VanDerWaalsContact C-N 3.26Å; Y10-A12 PolarHBondContact O-N 2.91Å; Y10-T13 WeakPolarHBondContact O-CA 3.36Å; Y10-T13 WeakPolarHBondContact O-CB 3.34Å; Y10-T13 PolarHBondContact O-N 3.49Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.93Å
11	S	72.3	Confident	65.1	Low	67 Å²	67	87.9 Å²	87.9	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-50.2	-44.5	174.1	55.3	0	0	0	0	113	E8 T13 L14 F15	E8-S11 WeakPolarHBondContact O-CB 3.15Å; E8-S11 PolarHBondContact O-N 3.29Å; E8-S11 VanDerWaalsContact O-N 3.09Å; E8-S11 PolarHBondContact O-OG 3.29Å; S11-T13 PolarHBondContact O-N 3.19Å; S11-L14 PolarHBondContact O-N 3.33Å; S11-F15 VanDerWaalsContact O-CB 3.3Å; S11-F15 WeakPolarHBondContact O-CB 3.35Å; S11-F15 PolarHBondContact O-N 3.41Å
12	A	75.8	Confident	67.6	Low	72 Å²	72	77 Å²	77	60%	0.595	43%	0.425	S	S	*	.	H	α-helix	trans	-62.9	-39.3	176.1	0	0	0	0	0	113	Y10 F15 W16	Y10-A12 VanDerWaalsContact C-N 3.26Å; Y10-A12 PolarHBondContact O-N 2.91Å; A12-F15 PolarHBondContact O-N 3.06Å; A12-W16 WeakPolarHBondContact O-CB 3.45Å; A12-W16 PolarHBondContact O-N 2.92Å
13	T	77.8	Confident	70.3	Confident	42 Å²	42	71.1 Å²	71.1	26%	0.258	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-42.4	177.3	-48.1	0	0	0	0	110.9	Y10 S11 W16 N17 L114	Y10-T13 WeakPolarHBondContact O-CA 3.36Å; Y10-T13 WeakPolarHBondContact O-CB 3.34Å; Y10-T13 PolarHBondContact O-N 3.49Å; S11-T13 PolarHBondContact O-N 3.19Å; T13-W16 PolarHBondContact O-N 3.49Å; T13-N17 VanDerWaalsContact O-CB 3.24Å; T13-N17 WeakPolarHBondContact O-CB 3.4Å; T13-N17 PolarHBondContact O-N 3.42Å; T13-N17 PolarHBondContact O-ND2 3.47Å; T13-N17 VanDerWaalsContact O-ND2 3.11Å; T13-L114 HydrophobicContact CG2-CB 4.07Å; T13-L114 WeakPolarHBondContact CG2-O 2.98Å
14	L	77	Confident	72.7	Confident	84 Å²	84	66.8 Å²	66.8	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-44.3	174.9	-69.2	175.6	0	0	0	111.2	Y10 S11 N17 D18 P116	Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.93Å; S11-L14 PolarHBondContact O-N 3.33Å; L14-N17 PolarHBondContact O-N 2.94Å; L14-D18 WeakPolarHBondContact O-CB 3.16Å; L14-D18 PolarHBondContact O-N 2.87Å; L14-P116 HydrophobicContact CD2-CG 4.13Å
15	F	83.8	Confident	74.9	Confident	86 Å²	86	68.3 Å²	68.3	38%	0.377	37%	0.366	S	S	.	.	H	α-helix	trans	-61	-48.7	176	-175.4	-103.6	0	0	0	111.8	S11 A12 N17 D18 V19 L56 V60	S11-F15 VanDerWaalsContact O-CB 3.3Å; S11-F15 WeakPolarHBondContact O-CB 3.35Å; S11-F15 PolarHBondContact O-N 3.41Å; A12-F15 PolarHBondContact O-N 3.06Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.07Å; F15-D18 PolarHBondContact O-N 3.12Å; F15-V19 HydrophobicContact CD1-CG2 4.27Å; F15-V19 HydrophobicContact CE1-CG2 3.98Å; F15-V19 HydrophobicContact CZ-CG2 4.13Å; F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.29Å; F15-V19 PolarHBondContact O-N 3.04Å; F15-L56 HydrophobicContact CE1-CD2 4.03Å; F15-L56 HydrophobicContact CZ-CD2 3.64Å; F15-V60 HydrophobicContact CZ-CG2 4.4Å
16	W	85.7	Confident	77	Confident	44 Å²	44	71 Å²	71	17%	0.167	37%	0.367	C	S	.	.	H	α-helix	trans	-57.8	-45.5	175.9	173.1	-110	0	0	0	112.4	A12 T13 D18 V19 I20 L74 K77 M78 E81	A12-W16 WeakPolarHBondContact O-CB 3.45Å; A12-W16 PolarHBondContact O-N 2.92Å; T13-W16 PolarHBondContact O-N 3.49Å; W16-D18 VanDerWaalsContact C-N 3.35Å; W16-D18 PolarHBondContact O-N 3.27Å; W16-V19 PolarHBondContact O-N 2.84Å; W16-I20 HydrophobicContact CD2-CD1 4.01Å; W16-I20 HydrophobicContact CD2-CG1 4.29Å; W16-I20 HydrophobicContact CG-CD1 4.33Å; W16-I20 HydrophobicContact CH2-CD1 4.4Å; W16-I20 HydrophobicContact CH2-CG1 4.49Å; W16-I20 HydrophobicContact CZ2-CD1 3.56Å; W16-I20 HydrophobicContact CZ2-CG1 4.1Å; W16-I20 WeakPolarHBondContact O-CG1 3.19Å; W16-I20 PolarHBondContact O-N 3.16Å; W16-L74 HydrophobicContact CE3-CD1 3.95Å; W16-L74 HydrophobicContact CZ3-CD1 3.49Å; W16-L74 VanDerWaalsContact CZ3-CD1 3.49Å; W16-L74 HydrophobicContact CZ3-CG 4.17Å; W16-K77 HydrophobicContact CH2-CB 4.26Å; W16-K77 HydrophobicContact CH2-CG 3.74Å; W16-K77 HydrophobicContact CZ2-CG 4.42Å; W16-K77 HydrophobicContact CZ3-CG 4.21Å; W16-M78 HydrophobicContact CH2-CB 4.42Å; W16-M78 HydrophobicContact CH2-CG 3.45Å; W16-M78 VanDerWaalsContact CH2-CG 3.45Å; W16-M78 HydrophobicContact CZ2-CG 4.43Å; W16-M78 HydrophobicContact CZ3-CG 3.8Å; W16-E81 HydrophobicContact CZ2-CG 4.09Å
17	N	83.5	Confident	79.2	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.011	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-36.8	179.4	-71.8	-20.1	0	0	0	112.7	T13 L14 F15 R21 V113 L114	T13-N17 VanDerWaalsContact O-CB 3.24Å; T13-N17 WeakPolarHBondContact O-CB 3.4Å; T13-N17 PolarHBondContact O-N 3.42Å; T13-N17 PolarHBondContact O-ND2 3.47Å; T13-N17 VanDerWaalsContact O-ND2 3.11Å; L14-N17 PolarHBondContact O-N 2.94Å; F15-N17 VanDerWaalsContact C-N 3.33Å; F15-N17 PolarHBondContact O-N 3.07Å; N17-R21 WeakPolarHBondContact O-CB 3.16Å; N17-R21 VanDerWaalsContact O-CG 3.29Å; N17-R21 WeakPolarHBondContact O-CG 3.31Å; N17-R21 PolarHBondContact O-N 3.26Å; N17-R21 VanDerWaalsContact O-N 3.13Å; N17-R21 PolarHBondContact O-NH1 2.96Å; N17-V113 HydrophobicContact CB-CG1 3.67Å; N17-V113 HydrophobicContact CB-CG2 4.42Å; N17-V113 WeakPolarHBondContact OD1-CG1 3.36Å; N17-L114 PolarHBondContact ND2-O 3.47Å; N17-L114 PolarHBondContact OD1-N 3.35Å
18	D	84.2	Confident	81.1	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-45.3	173.7	-174.3	38.3	0	0	0	111.1	L14 F15 W16 I20 R21 T22 Y55 K59	L14-D18 WeakPolarHBondContact O-CB 3.16Å; L14-D18 PolarHBondContact O-N 2.87Å; F15-D18 PolarHBondContact O-N 3.12Å; W16-D18 VanDerWaalsContact C-N 3.35Å; W16-D18 PolarHBondContact O-N 3.27Å; D18-I20 PolarHBondContact O-N 3.41Å; D18-R21 PolarHBondContact O-N 2.83Å; D18-T22 VanDerWaalsContact O-CB 3.32Å; D18-T22 WeakPolarHBondContact O-CB 3.14Å; D18-T22 PolarHBondContact O-N 2.91Å; D18-T22 PolarHBondContact O-OG1 2.95Å; D18-Y55 PolarHBondContact OD2-OH 2.87Å; D18-Y55 VanDerWaalsContact OD2-OH 3.11Å; D18-K59 IonicContact OD2-NZ 2.95Å; D18-K59 PolarHBondContact OD2-NZ 3.16Å
19	V	88.4	Confident	82.8	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-48.7	175.9	174.3	0	0	0	0	111.1	F15 W16 R21 T22 F23 L52 Y55 L56 L74 M78	F15-V19 HydrophobicContact CD1-CG2 4.27Å; F15-V19 HydrophobicContact CE1-CG2 3.98Å; F15-V19 HydrophobicContact CZ-CG2 4.13Å; F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.29Å; F15-V19 PolarHBondContact O-N 3.04Å; W16-V19 PolarHBondContact O-N 2.84Å; V19-R21 PolarHBondContact O-N 2.84Å; V19-T22 PolarHBondContact O-N 3.1Å; V19-F23 VanDerWaalsContact O-CB 3.22Å; V19-F23 WeakPolarHBondContact O-CB 3.37Å; V19-F23 PolarHBondContact O-N 3.44Å; V19-L52 HydrophobicContact CG1-CD2 4.09Å; V19-Y55 HydrophobicContact CB-CE1 4.49Å; V19-Y55 HydrophobicContact CG2-CE1 3.97Å; V19-L56 HydrophobicContact CG2-CD2 4Å; V19-L74 HydrophobicContact CG1-CD2 3.94Å; V19-M78 HydrophobicContact CG1-SD 4.37Å
20	I	88.1	Confident	84.3	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-49.6	179.3	-69.6	173.6	0	0	0	111	W16 D18 T22 F23 R24 M78 L83 V109 I112 V113	W16-I20 HydrophobicContact CD2-CD1 4.01Å; W16-I20 HydrophobicContact CD2-CG1 4.29Å; W16-I20 HydrophobicContact CG-CD1 4.33Å; W16-I20 HydrophobicContact CH2-CD1 4.4Å; W16-I20 HydrophobicContact CH2-CG1 4.49Å; W16-I20 HydrophobicContact CZ2-CD1 3.56Å; W16-I20 HydrophobicContact CZ2-CG1 4.1Å; W16-I20 WeakPolarHBondContact O-CG1 3.19Å; W16-I20 PolarHBondContact O-N 3.16Å; D18-I20 PolarHBondContact O-N 3.41Å; I20-T22 VanDerWaalsContact C-N 3.3Å; I20-T22 PolarHBondContact O-N 3.42Å; I20-F23 PolarHBondContact O-N 2.57Å; I20-R24 WeakPolarHBondContact O-CB 3.29Å; I20-R24 PolarHBondContact O-N 2.88Å; I20-M78 HydrophobicContact CG1-CE 4.48Å; I20-L83 HydrophobicContact CG2-CD1 3.99Å; I20-L83 HydrophobicContact CG2-CD2 4.12Å; I20-V109 HydrophobicContact CG2-CG1 3.61Å; I20-I112 HydrophobicContact CD1-CG2 4.06Å; I20-V113 HydrophobicContact CB-CG2 4.2Å; I20-V113 HydrophobicContact CD1-CG2 4.37Å; I20-V113 HydrophobicContact CG2-CG2 4.04Å
21	R	85.1	Confident	85.2	Confident	114 Å²	114	58.3 Å²	58.3	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-42	-178	-73.9	-175.5	-168.3	106.1	-7.2	111.3	N17 D18 V19 S25 V109 V113	N17-R21 WeakPolarHBondContact O-CB 3.16Å; N17-R21 VanDerWaalsContact O-CG 3.29Å; N17-R21 WeakPolarHBondContact O-CG 3.31Å; N17-R21 PolarHBondContact O-N 3.26Å; N17-R21 VanDerWaalsContact O-N 3.13Å; N17-R21 PolarHBondContact O-NH1 2.96Å; D18-R21 PolarHBondContact O-N 2.83Å; V19-R21 PolarHBondContact O-N 2.84Å; R21-S25 WeakPolarHBondContact O-CB 3.39Å; R21-S25 PolarHBondContact O-N 3.3Å; R21-S25 VanDerWaalsContact O-N 3.13Å; R21-S25 PolarHBondContact O-OG 2.78Å; R21-V109 HydrophobicContact CG-CG1 3.84Å; R21-V113 HydrophobicContact CG-CG2 4.38Å
22	T	86.3	Confident	86	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-44.1	-179.6	-50.7	0	0	0	0	110.9	D18 V19 I20 R24 S25 R26 W51 Y55	D18-T22 VanDerWaalsContact O-CB 3.32Å; D18-T22 WeakPolarHBondContact O-CB 3.14Å; D18-T22 PolarHBondContact O-N 2.91Å; D18-T22 PolarHBondContact O-OG1 2.95Å; V19-T22 PolarHBondContact O-N 3.1Å; I20-T22 VanDerWaalsContact C-N 3.3Å; I20-T22 PolarHBondContact O-N 3.42Å; T22-R24 VanDerWaalsContact C-N 3.34Å; T22-R24 PolarHBondContact O-N 3.46Å; T22-S25 PolarHBondContact O-N 3.01Å; T22-S25 PolarHBondContact O-OG 3.25Å; T22-R26 HydrophobicContact CG2-CB 4.2Å; T22-R26 HydrophobicContact CG2-CG 4.13Å; T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 PolarHBondContact O-N 3.12Å; T22-W51 HydrophobicContact CG2-CH2 3.79Å; T22-W51 HydrophobicContact CG2-CZ2 4.05Å; T22-Y55 WeakPolarHBondContact CB-OH 3.3Å; T22-Y55 HydrophobicContact CG2-CD2 3.83Å; T22-Y55 HydrophobicContact CG2-CE2 3.21Å; T22-Y55 PolarHBondContact OG1-OH 2.81Å
23	F	91.6	Very high	86.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-45.7	175.3	-176.1	-101.4	0	0	0	111.5	V19 I20 S25 M27 F43 A48 W51 L52 M78 L83 F84 F104	V19-F23 VanDerWaalsContact O-CB 3.22Å; V19-F23 WeakPolarHBondContact O-CB 3.37Å; V19-F23 PolarHBondContact O-N 3.44Å; I20-F23 PolarHBondContact O-N 2.57Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.84Å; F23-M27 HydrophobicContact CD2-CB 4.42Å; F23-M27 HydrophobicContact CE2-CB 4.43Å; F23-M27 HydrophobicContact CE2-CG 4.2Å; F23-M27 HydrophobicContact CE2-SD 3.97Å; F23-M27 HydrophobicContact CZ-CG 4.38Å; F23-M27 WeakPolarHBondContact O-CB 3.43Å; F23-M27 PolarHBondContact O-N 3.42Å; F23-F43 HydrophobicContact CE1-CZ 4.39Å; F23-F43 HydrophobicContact CZ-CE2 4.23Å; F23-F43 HydrophobicContact CZ-CZ 4.27Å; F23-A48 HydrophobicContact CE2-CB 4.03Å; F23-A48 HydrophobicContact CZ-CB 3.95Å; F23-W51 VanDerWaalsContact CA-CH2 3.42Å; F23-W51 HydrophobicContact CB-CH2 4.15Å; F23-W51 HydrophobicContact CB-CZ3 3.78Å; F23-W51 HydrophobicContact CD2-CD2 4.44Å; F23-W51 AromaticContact CD2-CE3 3.47Å; F23-W51 HydrophobicContact CD2-CE3 3.47Å; F23-W51 VanDerWaalsContact CD2-CE3 3.47Å; F23-W51 HydrophobicContact CD2-CH2 4.44Å; F23-W51 AromaticContact CD2-CZ3 3.49Å; F23-W51 HydrophobicContact CD2-CZ3 3.49Å; F23-W51 VanDerWaalsContact CD2-CZ3 3.49Å; F23-W51 HydrophobicContact CE2-CE3 4.11Å; F23-W51 HydrophobicContact CG-CE3 4.49Å; F23-W51 HydrophobicContact CG-CZ3 4.12Å; F23-L52 HydrophobicContact CD2-CD1 4.23Å; F23-L52 HydrophobicContact CD2-CD2 3.65Å; F23-L52 HydrophobicContact CD2-CG 3.76Å; F23-L52 HydrophobicContact CE2-CD1 3.98Å; F23-L52 HydrophobicContact CE2-CD2 4.23Å; F23-L52 HydrophobicContact CE2-CG 3.83Å; F23-L52 HydrophobicContact CG-CD2 4.34Å; F23-M78 HydrophobicContact CB-CE 3.6Å; F23-M78 HydrophobicContact CD1-CE 3.25Å; F23-M78 HydrophobicContact CD2-CE 4.23Å; F23-M78 HydrophobicContact CE1-CE 3.93Å; F23-M78 HydrophobicContact CG-CE 3.43Å; F23-M78 VanDerWaalsContact CG-CE 3.43Å; F23-L83 HydrophobicContact CD1-CD2 3.76Å; F23-L83 HydrophobicContact CE1-CD2 4.28Å; F23-F84 AromaticContact CE1-CD1 3.79Å; F23-F84 HydrophobicContact CE1-CD1 3.79Å; F23-F84 AromaticContact CE1-CE1 3.78Å; F23-F84 HydrophobicContact CE1-CE1 3.78Å; F23-F84 HydrophobicContact CZ-CD1 4.5Å; F23-F84 HydrophobicContact CZ-CE1 4.24Å; F23-F104 AromaticContact CD1-CE1 3.58Å; F23-F104 HydrophobicContact CD1-CE1 3.58Å; F23-F104 AromaticContact CD1-CZ 3.64Å; F23-F104 HydrophobicContact CD1-CZ 3.64Å; F23-F104 AromaticContact CE1-CE1 3.4Å; F23-F104 HydrophobicContact CE1-CE1 3.4Å; F23-F104 VanDerWaalsContact CE1-CE1 3.4Å; F23-F104 AromaticContact CE1-CZ 3.48Å; F23-F104 HydrophobicContact CE1-CZ 3.48Å; F23-F104 VanDerWaalsContact CE1-CZ 3.48Å; F23-F104 HydrophobicContact CG-CZ 4.49Å; F23-F104 HydrophobicContact CZ-CE1 4.44Å; F23-F104 HydrophobicContact CZ-CZ 4.2Å; F23-F104 WeakPolarHBondContact O-CZ 3.45Å
24	R	87	Confident	86.4	Confident	64 Å²	64	66.6 Å²	66.6	24%	0.242	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-34.2	-179.4	-178.7	56.7	179.2	-127	1	113.7	I20 T22 L83 F104 T105 V109	I20-R24 WeakPolarHBondContact O-CB 3.29Å; I20-R24 PolarHBondContact O-N 2.88Å; T22-R24 VanDerWaalsContact C-N 3.34Å; T22-R24 PolarHBondContact O-N 3.46Å; R24-L83 PolarHBondContact NH1-O 2.73Å; R24-F104 VanDerWaalsContact CD-CD1 3.42Å; R24-F104 VanDerWaalsContact CZ-CB 3.44Å; R24-F104 VanDerWaalsContact NH1-CB 3.25Å; R24-T105 PolarHBondContact NH1-O 3.26Å; R24-T105 PolarHBondContact NH2-O 3.25Å; R24-V109 HydrophobicContact CB-CG2 3.82Å; R24-V109 HydrophobicContact CG-CG2 3.51Å
25	S	86.2	Confident	86.4	Confident	91 Å²	91	65.6 Å²	65.6	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-95.8	-28	-173.5	56.9	0	0	0	0	114.4	R21 T22 F23	R21-S25 WeakPolarHBondContact O-CB 3.39Å; R21-S25 PolarHBondContact O-N 3.3Å; R21-S25 VanDerWaalsContact O-N 3.13Å; R21-S25 PolarHBondContact O-OG 2.78Å; T22-S25 PolarHBondContact O-N 3.01Å; T22-S25 PolarHBondContact O-OG 3.25Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.84Å
26	R	89.1	Confident	86.3	Confident	184 Å²	184	72.4 Å²	72.4	69%	0.694	35%	0.352	S	S	*	.	H	α-helix	trans	-117.1	-3.8	-172.2	-63.5	-164.6	-176.8	-173	-2.6	114.6	T22 P28 W51	T22-R26 HydrophobicContact CG2-CB 4.2Å; T22-R26 HydrophobicContact CG2-CG 4.13Å; T22-R26 WeakPolarHBondContact O-CB 3.48Å; T22-R26 PolarHBondContact O-N 3.12Å; R26-P28 VanDerWaalsContact O-CD 3.32Å; R26-P28 WeakPolarHBondContact O-CD 3.37Å; R26-W51 HydrophobicContact CB-CZ2 3.78Å; R26-W51 PolarHBondContact O-NE1 2.89Å; R26-W51 VanDerWaalsContact O-NE1 3.16Å
27	M	91.5	Very high	86.1	Confident	12 Å²	12	76.3 Å²	76.3	6%	0.059	37%	0.37	C	S	.	.	S	Bend	trans	-64	122.9	171.8	179.1	63.4	-163.5	0	0	109.3	F23 L29 F43 E47 A48 W51 F104	F23-M27 HydrophobicContact CD2-CB 4.42Å; F23-M27 HydrophobicContact CE2-CB 4.43Å; F23-M27 HydrophobicContact CE2-CG 4.2Å; F23-M27 HydrophobicContact CE2-SD 3.97Å; F23-M27 HydrophobicContact CZ-CG 4.38Å; F23-M27 WeakPolarHBondContact O-CB 3.43Å; F23-M27 PolarHBondContact O-N 3.42Å; M27-L29 PolarHBondContact O-N 2.84Å; M27-F43 HydrophobicContact CE-CB 3.72Å; M27-F43 HydrophobicContact CE-CD2 4.32Å; M27-F43 HydrophobicContact CE-CG 4.12Å; M27-F43 HydrophobicContact CG-CD1 4.46Å; M27-F43 HydrophobicContact CG-CG 4.46Å; M27-E47 HydrophobicContact CE-CB 3.93Å; M27-A48 HydrophobicContact CE-CB 4.13Å; M27-W51 HydrophobicContact CE-CB 4.28Å; M27-W51 HydrophobicContact SD-CB 3.52Å; M27-W51 VanDerWaalsContact SD-CB 3.52Å; M27-W51 HydrophobicContact SD-CD2 3.94Å; M27-W51 HydrophobicContact SD-CE3 4.44Å; M27-W51 HydrophobicContact SD-CG 3.51Å; M27-W51 VanDerWaalsContact SD-CG 3.51Å; M27-F104 HydrophobicContact CB-CE2 3.98Å; M27-F104 HydrophobicContact CB-CZ 3.93Å; M27-F104 HydrophobicContact CG-CE2 4.23Å; M27-F104 HydrophobicContact CG-CZ 4.24Å
28	P	87.5	Confident	86.1	Confident	76 Å²	76	78.3 Å²	78.3	49%	0.494	39%	0.387	S	S	.	.			trans	-60.6	126.5	176	-23.2	33.9	0	0	0	110.6	R26	R26-P28 VanDerWaalsContact O-CD 3.32Å; R26-P28 WeakPolarHBondContact O-CD 3.37Å
29	L	91.7	Very high	86.3	Confident	78 Å²	78	77.3 Å²	77.3	41%	0.408	38%	0.38	S	S	.	.			trans	-106.2	124.5	174	-61.3	-180	0	0	0	108.4	M27 F43 F104	M27-L29 PolarHBondContact O-N 2.84Å; L29-F43 HydrophobicContact CD2-CD1 3.58Å; L29-F43 HydrophobicContact CD2-CE1 4.32Å; L29-F104 HydrophobicContact CD1-CD2 4.23Å; L29-F104 HydrophobicContact CD2-CD2 3.84Å; L29-F104 HydrophobicContact CD2-CE2 3.83Å
30	T	87.7	Confident	86.2	Confident	63 Å²	63	83.7 Å²	83.7	39%	0.387	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	177.5	177.6	83.6	0	0	0	0	110.4	H32 S41 S42	T30-H32 PolarHBondContact OG1-CE1 3.21Å; T30-H32 PolarHBondContact OG1-NE2 3.34Å; T30-S41 PolarHBondContact O-N 3.38Å; T30-S42 PolarHBondContact N-O 3.49Å; T30-S42 PolarHBondContact O-N 2.91Å
31	T	89.2	Confident	86.2	Confident	78 Å²	78	86.4 Å²	86.4	48%	0.479	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108.1	174.3	-59.7	0	0	0	0	109.1	A38 Y39 E40	T31-A38 HydrophobicContact CG2-CB 3.89Å; T31-Y39 WeakPolarHBondContact CA-O 3.24Å; T31-E40 HydrophobicContact CG2-CG 4.16Å
32	H	88.6	Confident	86.5	Confident	25 Å²	25	81 Å²	81	12%	0.116	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	176.3	-64.9	-71.1	0	0	0	110.8	T30 Y39 S42 F43 E47 I101	T30-H32 PolarHBondContact OG1-CE1 3.21Å; T30-H32 PolarHBondContact OG1-NE2 3.34Å; H32-Y39 PolarHBondContact N-O 3.36Å; H32-Y39 VanDerWaalsContact N-O 3.08Å; H32-Y39 PolarHBondContact O-N 2.63Å; H32-S42 VanDerWaalsContact CD2-C 3.46Å; H32-S42 PolarHBondContact CD2-O 2.95Å; H32-S42 VanDerWaalsContact CD2-O 3.3Å; H32-S42 PolarHBondContact CD2-OG 3.03Å; H32-S42 VanDerWaalsContact CD2-OG 3.31Å; H32-S42 PolarHBondContact NE2-O 3Å; H32-F43 WeakPolarHBondContact NE2-CA 3.46Å; H32-E47 VanDerWaalsContact CE1-CD 3.47Å; H32-E47 IonicContact CE1-OE1 3.83Å; H32-E47 PolarHBondContact CE1-OE1 3.32Å; H32-E47 IonicContact CE1-OE2 3.13Å; H32-E47 PolarHBondContact CE1-OE2 3.02Å; H32-E47 IonicContact NE2-OE1 3.07Å; H32-E47 IonicContact NE2-OE2 3.43Å; H32-E47 PolarHBondContact NE2-OE2 2.98Å; H32-E47 VanDerWaalsContact NE2-OE2 3.12Å; H32-I101 HydrophobicContact CB-CD1 3.6Å; H32-I101 HydrophobicContact CB-CG1 3.98Å; H32-I101 HydrophobicContact CB-CG2 4.18Å
33	R	81.6	Confident	86.8	Confident	209 Å²	209	80.3 Å²	80.3	79%	0.789	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.9	173.7	-71.2	-176.2	173	-169.4	-2	110.3	K37 A38	R33-K37 WeakPolarHBondContact CA-O 3.49Å; R33-A38 HydrophobicContact CG-CB 3.89Å
34	R	80.5	Confident	86.8	Confident	121 Å²	121	81.4 Å²	81.4	46%	0.457	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	114.8	170	-169.9	156.9	179.5	163.3	-0.6	111.1	K37 Y39 R88 G99 I101	R34-K37 PolarHBondContact N-O 2.79Å; R34-Y39 HydrophobicContact CB-CE2 4.26Å; R34-R88 PolarHBondContact O-NH2 2.9Å; R34-G99 VanDerWaalsContact NH1-C 3.27Å; R34-G99 PolarHBondContact NH1-O 3.36Å; R34-I101 HydrophobicContact CB-CD1 3.62Å
35	G	77.8	Confident	86.9	Confident	63 Å²	63	78.3 Å²	78.3	65%	0.649	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-142.8	-160.9	0	0	0	0	0	110.1	K37	G35-K37 VanDerWaalsContact C-N 3.28Å; G35-K37 PolarHBondContact O-N 3.27Å
36	F	81	Confident	87	Confident	230 Å²	230	81.3 Å²	81.3	100%	1.009	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	2.5	178.6	-60.9	-72.2	0	0	0	114.9
37	K	81.4	Confident	87.1	Confident	125 Å²	125	76 Å²	76	54%	0.543	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.5	-177.1	-165.6	161.2	-175.9	169.8	0	111.5	R33 R34 G35 Y39	R33-K37 WeakPolarHBondContact CA-O 3.49Å; R34-K37 PolarHBondContact N-O 2.79Å; G35-K37 VanDerWaalsContact C-N 3.28Å; G35-K37 PolarHBondContact O-N 3.27Å; K37-Y39 HydrophobicContact CB-CE2 4.3Å; K37-Y39 HydrophobicContact CD-CE1 3.84Å; K37-Y39 HydrophobicContact CG-CD1 4.48Å; K37-Y39 HydrophobicContact CG-CE1 3.97Å; K37-Y39 HydrophobicContact CG-CE2 4.4Å
38	A	84.3	Confident	87.1	Confident	45 Å²	45	75.4 Å²	75.4	37%	0.372	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.4	168.5	0	0	0	0	0	109.9	T31 R33	T31-A38 HydrophobicContact CG2-CB 3.89Å; R33-A38 HydrophobicContact CG-CB 3.89Å
39	Y	87.9	Confident	87.3	Confident	28 Å²	28	72 Å²	72	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.2	178.6	-62.4	-72	0	0	0	108.4	T31 H32 R34 K37 S42 V87 R88 I101	T31-Y39 WeakPolarHBondContact CA-O 3.24Å; H32-Y39 PolarHBondContact N-O 3.36Å; H32-Y39 VanDerWaalsContact N-O 3.08Å; H32-Y39 PolarHBondContact O-N 2.63Å; R34-Y39 HydrophobicContact CB-CE2 4.26Å; K37-Y39 HydrophobicContact CB-CE2 4.3Å; K37-Y39 HydrophobicContact CD-CE1 3.84Å; K37-Y39 HydrophobicContact CG-CD1 4.48Å; K37-Y39 HydrophobicContact CG-CE1 3.97Å; K37-Y39 HydrophobicContact CG-CE2 4.4Å; Y39-S42 PolarHBondContact O-OG 3.11Å; Y39-V87 HydrophobicContact CD1-CB 4.27Å; Y39-V87 HydrophobicContact CD1-CG1 3.33Å; Y39-V87 HydrophobicContact CE1-CB 4.25Å; Y39-V87 HydrophobicContact CE1-CG1 3.19Å; Y39-V87 HydrophobicContact CG-CG1 4.12Å; Y39-R88 PolarHBondContact OH-NE 3.03Å; Y39-R88 PolarHBondContact OH-NH2 3.08Å; Y39-I101 HydrophobicContact CD2-CD1 3.72Å; Y39-I101 HydrophobicContact CD2-CG2 4.48Å; Y39-I101 HydrophobicContact CE2-CD1 4.24Å
40	E	86.8	Confident	87.2	Confident	135 Å²	135	71.3 Å²	71.3	63%	0.631	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	153.3	176.2	-62	-176.7	171.2	0	0	111.2	T31 S42 R103	T31-E40 HydrophobicContact CG2-CG 4.16Å; E40-S42 VanDerWaalsContact C-N 3.27Å; E40-S42 PolarHBondContact O-N 2.72Å; E40-R103 PolarHBondContact O-NH1 3.13Å
41	S	88.2	Confident	87.5	Confident	59 Å²	59	70.6 Å²	70.6	41%	0.413	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.2	45.5	178.6	-56.8	0	0	0	0	112.8	T30	T30-S41 PolarHBondContact O-N 3.38Å
42	S	91.2	Very high	87.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.1	-178.2	66.2	0	0	0	0	111.6	T30 H32 Y39 E40 I101 Y102	T30-S42 PolarHBondContact N-O 3.49Å; T30-S42 PolarHBondContact O-N 2.91Å; H32-S42 VanDerWaalsContact CD2-C 3.46Å; H32-S42 PolarHBondContact CD2-O 2.95Å; H32-S42 VanDerWaalsContact CD2-O 3.3Å; H32-S42 PolarHBondContact CD2-OG 3.03Å; H32-S42 VanDerWaalsContact CD2-OG 3.31Å; H32-S42 PolarHBondContact NE2-O 3Å; Y39-S42 PolarHBondContact O-OG 3.11Å; E40-S42 VanDerWaalsContact C-N 3.27Å; E40-S42 PolarHBondContact O-N 2.72Å; S42-I101 VanDerWaalsContact CB-CG2 3.48Å; S42-I101 WeakPolarHBondContact OG-CG2 3.33Å; S42-Y102 WeakPolarHBondContact CA-O 3.44Å; S42-Y102 VanDerWaalsContact CB-O 3.31Å; S42-Y102 WeakPolarHBondContact CB-O 3.19Å
43	F	92.7	Very high	87.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.8	176.2	58.2	-90.5	0	0	0	110.1	F23 M27 L29 H32 A48 F75 F84 Y102 F104	F23-F43 HydrophobicContact CE1-CZ 4.39Å; F23-F43 HydrophobicContact CZ-CE2 4.23Å; F23-F43 HydrophobicContact CZ-CZ 4.27Å; M27-F43 HydrophobicContact CE-CB 3.72Å; M27-F43 HydrophobicContact CE-CD2 4.32Å; M27-F43 HydrophobicContact CE-CG 4.12Å; M27-F43 HydrophobicContact CG-CD1 4.46Å; M27-F43 HydrophobicContact CG-CG 4.46Å; L29-F43 HydrophobicContact CD2-CD1 3.58Å; L29-F43 HydrophobicContact CD2-CE1 4.32Å; H32-F43 WeakPolarHBondContact NE2-CA 3.46Å; F43-A48 HydrophobicContact CD2-CB 3.72Å; F43-A48 HydrophobicContact CE2-CB 3.85Å; F43-F75 HydrophobicContact CE2-CE2 4.17Å; F43-F84 HydrophobicContact CE1-CB 4.48Å; F43-F84 HydrophobicContact CE2-CD2 4.47Å; F43-F84 HydrophobicContact CE2-CG 4.48Å; F43-F84 HydrophobicContact CZ-CB 3.84Å; F43-F84 HydrophobicContact CZ-CD1 4.18Å; F43-F84 HydrophobicContact CZ-CD2 4.2Å; F43-F84 AromaticContact CZ-CG 3.82Å; F43-F84 HydrophobicContact CZ-CG 3.82Å; F43-Y102 VanDerWaalsContact CE2-CB 3.44Å; F43-Y102 HydrophobicContact CE2-CD2 4.35Å; F43-Y102 HydrophobicContact CE2-CG 4.12Å; F43-Y102 PolarHBondContact N-O 3.1Å; F43-Y102 VanDerWaalsContact N-O 3.07Å; F43-Y102 PolarHBondContact O-N 2.91Å; F43-F104 HydrophobicContact CD1-CD2 4.4Å; F43-F104 HydrophobicContact CD1-CE2 4.18Å; F43-F104 HydrophobicContact CE1-CD1 4.25Å; F43-F104 AromaticContact CE1-CD2 3.82Å; F43-F104 HydrophobicContact CE1-CD2 3.82Å; F43-F104 HydrophobicContact CE1-CE1 4.15Å; F43-F104 AromaticContact CE1-CE2 3.7Å; F43-F104 HydrophobicContact CE1-CE2 3.7Å; F43-F104 HydrophobicContact CE1-CG 4.08Å; F43-F104 AromaticContact CE1-CZ 3.87Å; F43-F104 HydrophobicContact CE1-CZ 3.87Å; F43-F104 HydrophobicContact CZ-CE1 4.31Å; F43-F104 HydrophobicContact CZ-CZ 4.27Å
44	T	90.5	Very high	88	Confident	23 Å²	23	60.2 Å²	60.2	14%	0.141	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	156.3	172.5	67.2	0	0	0	0	111.7	R46 E47 A48 A100	T44-R46 PolarHBondContact O-N 3.47Å; T44-E47 WeakPolarHBondContact CB-OE2 3.36Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.14Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 PolarHBondContact O-N 3.32Å; T44-E47 VanDerWaalsContact OG1-CG 3.29Å; T44-E47 WeakPolarHBondContact OG1-CG 3.09Å; T44-E47 PolarHBondContact OG1-N 3.16Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; T44-A48 PolarHBondContact O-N 3.38Å; T44-A100 WeakPolarHBondContact CA-O 3.32Å
45	G	89.5	Confident	88.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-29.9	173.8	0	0	0	0	0	113.4	V49 A100	G45-V49 VanDerWaalsContact O-CG2 3.29Å; G45-V49 WeakPolarHBondContact O-CG2 3.45Å; G45-V49 PolarHBondContact O-N 3.36Å; G45-A100 PolarHBondContact N-O 2.85Å
46	R	88.6	Confident	88.9	Confident	153 Å²	153	53.4 Å²	53.4	58%	0.577	26%	0.263	S	S	*	.	H	α-helix	trans	-67	-52.5	175.5	-179.8	176.9	-72.3	-174.6	-2.9	110.9	T44 A48 V49 D50	T44-R46 PolarHBondContact O-N 3.47Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 3.45Å; R46-V49 PolarHBondContact O-N 2.92Å; R46-D50 VanDerWaalsContact CG-OD2 3.3Å; R46-D50 WeakPolarHBondContact CG-OD2 3.4Å; R46-D50 WeakPolarHBondContact O-CB 3.44Å; R46-D50 PolarHBondContact O-N 3Å
47	E	90.4	Very high	89.1	Confident	73 Å²	73	44.4 Å²	44.4	34%	0.341	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-39.9	179.5	-70.5	158.7	152.7	0	0	112	M27 H32 T44 D50 W51	M27-E47 HydrophobicContact CE-CB 3.93Å; H32-E47 VanDerWaalsContact CE1-CD 3.47Å; H32-E47 IonicContact CE1-OE1 3.83Å; H32-E47 PolarHBondContact CE1-OE1 3.32Å; H32-E47 IonicContact CE1-OE2 3.13Å; H32-E47 PolarHBondContact CE1-OE2 3.02Å; H32-E47 IonicContact NE2-OE1 3.07Å; H32-E47 IonicContact NE2-OE2 3.43Å; H32-E47 PolarHBondContact NE2-OE2 2.98Å; H32-E47 VanDerWaalsContact NE2-OE2 3.12Å; T44-E47 WeakPolarHBondContact CB-OE2 3.36Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.14Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 PolarHBondContact O-N 3.32Å; T44-E47 VanDerWaalsContact OG1-CG 3.29Å; T44-E47 WeakPolarHBondContact OG1-CG 3.09Å; T44-E47 PolarHBondContact OG1-N 3.16Å; T44-E47 PolarHBondContact OG1-OE2 2.95Å; E47-D50 PolarHBondContact O-N 2.97Å; E47-W51 VanDerWaalsContact O-CB 3.29Å; E47-W51 WeakPolarHBondContact O-CB 3.42Å; E47-W51 PolarHBondContact O-N 3.16Å
48	A	92.2	Very high	89.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-42.8	177.1	0	0	0	0	0	112.7	F23 M27 F43 T44 R46 L52 F75	F23-A48 HydrophobicContact CE2-CB 4.03Å; F23-A48 HydrophobicContact CZ-CB 3.95Å; M27-A48 HydrophobicContact CE-CB 4.13Å; F43-A48 HydrophobicContact CD2-CB 3.72Å; F43-A48 HydrophobicContact CE2-CB 3.85Å; T44-A48 PolarHBondContact O-N 3.38Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 3.45Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.4Å; A48-L52 PolarHBondContact O-N 2.88Å; A48-F75 HydrophobicContact CB-CD2 3.71Å; A48-F75 HydrophobicContact CB-CE2 3.39Å; A48-F75 HydrophobicContact CB-CZ 4.36Å
49	V	91.6	Very high	89	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-39.6	177.3	171.8	0	0	0	0	111.2	G45 R46 L52 H53 R68 A71 A72 F75 Y97	G45-V49 VanDerWaalsContact O-CG2 3.29Å; G45-V49 WeakPolarHBondContact O-CG2 3.45Å; G45-V49 PolarHBondContact O-N 3.36Å; R46-V49 PolarHBondContact O-N 2.92Å; V49-L52 PolarHBondContact O-N 3.36Å; V49-H53 VanDerWaalsContact O-CB 3.23Å; V49-H53 WeakPolarHBondContact O-CB 3.25Å; V49-H53 PolarHBondContact O-N 3.07Å; V49-R68 HydrophobicContact CG1-CG 3.88Å; V49-A71 HydrophobicContact CG1-CB 4.31Å; V49-A72 HydrophobicContact CG1-CB 4.16Å; V49-A72 HydrophobicContact CG2-CB 4.27Å; V49-F75 HydrophobicContact CG2-CB 4.04Å; V49-F75 HydrophobicContact CG2-CD1 4.44Å; V49-F75 HydrophobicContact CG2-CG 4.1Å; V49-Y97 HydrophobicContact CG2-CD1 4.4Å
50	D	90.4	Very high	88.6	Confident	62 Å²	62	46.2 Å²	46.2	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-44.8	175.7	-75.6	-43.3	0	0	0	111.5	R46 E47 H53 G54 R68	R46-D50 VanDerWaalsContact CG-OD2 3.3Å; R46-D50 WeakPolarHBondContact CG-OD2 3.4Å; R46-D50 WeakPolarHBondContact O-CB 3.44Å; R46-D50 PolarHBondContact O-N 3Å; E47-D50 PolarHBondContact O-N 2.97Å; D50-H53 PolarHBondContact O-N 3.14Å; D50-G54 PolarHBondContact O-N 3.49Å; D50-R68 IonicContact OD1-CZ 2.91Å; D50-R68 IonicContact OD1-NE 3.54Å; D50-R68 IonicContact OD1-NH1 3.16Å; D50-R68 PolarHBondContact OD1-NH1 3.08Å; D50-R68 IonicContact OD1-NH2 3.73Å; D50-R68 PolarHBondContact OD1-NH2 2.66Å; D50-R68 IonicContact OD2-CZ 3.04Å; D50-R68 IonicContact OD2-NH1 3.03Å; D50-R68 IonicContact OD2-NH2 3.86Å; D50-R68 PolarHBondContact OD2-NH2 2.67Å
51	W	93.4	Very high	87.8	Confident	48 Å²	48	41.6 Å²	41.6	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-46	175	-176	95.5	0	0	0	111.8	T22 F23 R26 M27 E47 H53 G54 Y55	T22-W51 HydrophobicContact CG2-CH2 3.79Å; T22-W51 HydrophobicContact CG2-CZ2 4.05Å; F23-W51 VanDerWaalsContact CA-CH2 3.42Å; F23-W51 HydrophobicContact CB-CH2 4.15Å; F23-W51 HydrophobicContact CB-CZ3 3.78Å; F23-W51 HydrophobicContact CD2-CD2 4.44Å; F23-W51 AromaticContact CD2-CE3 3.47Å; F23-W51 HydrophobicContact CD2-CE3 3.47Å; F23-W51 VanDerWaalsContact CD2-CE3 3.47Å; F23-W51 HydrophobicContact CD2-CH2 4.44Å; F23-W51 AromaticContact CD2-CZ3 3.49Å; F23-W51 HydrophobicContact CD2-CZ3 3.49Å; F23-W51 VanDerWaalsContact CD2-CZ3 3.49Å; F23-W51 HydrophobicContact CE2-CE3 4.11Å; F23-W51 HydrophobicContact CG-CE3 4.49Å; F23-W51 HydrophobicContact CG-CZ3 4.12Å; R26-W51 HydrophobicContact CB-CZ2 3.78Å; R26-W51 PolarHBondContact O-NE1 2.89Å; R26-W51 VanDerWaalsContact O-NE1 3.16Å; M27-W51 HydrophobicContact CE-CB 4.28Å; M27-W51 HydrophobicContact SD-CB 3.52Å; M27-W51 VanDerWaalsContact SD-CB 3.52Å; M27-W51 HydrophobicContact SD-CD2 3.94Å; M27-W51 HydrophobicContact SD-CE3 4.44Å; M27-W51 HydrophobicContact SD-CG 3.51Å; M27-W51 VanDerWaalsContact SD-CG 3.51Å; E47-W51 VanDerWaalsContact O-CB 3.29Å; E47-W51 WeakPolarHBondContact O-CB 3.42Å; E47-W51 PolarHBondContact O-N 3.16Å; W51-H53 VanDerWaalsContact C-N 3.34Å; W51-H53 PolarHBondContact O-N 2.91Å; W51-G54 PolarHBondContact O-N 2.65Å; W51-Y55 HydrophobicContact CH2-CD1 4.42Å; W51-Y55 HydrophobicContact CH2-CD2 4.05Å; W51-Y55 AromaticContact CH2-CG 3.91Å; W51-Y55 HydrophobicContact CH2-CG 3.91Å; W51-Y55 HydrophobicContact CZ2-CD2 4.39Å; W51-Y55 HydrophobicContact CZ3-CD1 4.41Å; W51-Y55 HydrophobicContact CZ3-CG 4.1Å; W51-Y55 WeakPolarHBondContact O-CB 3.41Å; W51-Y55 PolarHBondContact O-N 3.04Å
52	L	92.3	Very high	86.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-42.4	178.4	-80.3	167.6	0	0	0	111.1	V19 F23 A48 V49 Y55 L56 A71 F75 M78	V19-L52 HydrophobicContact CG1-CD2 4.09Å; F23-L52 HydrophobicContact CD2-CD1 4.23Å; F23-L52 HydrophobicContact CD2-CD2 3.65Å; F23-L52 HydrophobicContact CD2-CG 3.76Å; F23-L52 HydrophobicContact CE2-CD1 3.98Å; F23-L52 HydrophobicContact CE2-CD2 4.23Å; F23-L52 HydrophobicContact CE2-CG 3.83Å; F23-L52 HydrophobicContact CG-CD2 4.34Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 VanDerWaalsContact O-CG 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.4Å; A48-L52 PolarHBondContact O-N 2.88Å; V49-L52 PolarHBondContact O-N 3.36Å; L52-Y55 PolarHBondContact O-N 3.06Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CD1 3.47Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.41Å; L52-A71 HydrophobicContact CB-CB 4.15Å; L52-F75 HydrophobicContact CD1-CB 3.84Å; L52-F75 HydrophobicContact CD1-CD2 4.14Å; L52-M78 HydrophobicContact CD1-SD 4.28Å; L52-M78 HydrophobicContact CD2-SD 4.17Å
53	H	90.1	Very high	85	Confident	53 Å²	53	53 Å²	53	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-47.5	177.7	-176.2	-127.1	0	0	0	111.1	V49 D50 W51 L56 S57 I66 A71	V49-H53 VanDerWaalsContact O-CB 3.23Å; V49-H53 WeakPolarHBondContact O-CB 3.25Å; V49-H53 PolarHBondContact O-N 3.07Å; D50-H53 PolarHBondContact O-N 3.14Å; W51-H53 VanDerWaalsContact C-N 3.34Å; W51-H53 PolarHBondContact O-N 2.91Å; H53-L56 PolarHBondContact O-N 3.38Å; H53-S57 WeakPolarHBondContact O-CB 3.28Å; H53-S57 PolarHBondContact O-N 3.36Å; H53-S57 PolarHBondContact O-OG 2.98Å; H53-I66 PolarHBondContact CD2-O 3.49Å; H53-I66 PolarHBondContact NE2-O 3.36Å; H53-A71 HydrophobicContact CB-CB 3.84Å
54	G	87.7	Confident	83.9	Confident	42 Å²	42	62.2 Å²	62.2	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-45.5	174.8	0	0	0	0	0	113	D50 W51 A58	D50-G54 PolarHBondContact O-N 3.49Å; W51-G54 PolarHBondContact O-N 2.65Å; G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 2.91Å
55	Y	89.1	Confident	83.1	Confident	31 Å²	31	69.1 Å²	69.1	12%	0.122	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-46.6	178.8	176.6	-99.7	0	0	0	112.5	D18 V19 T22 W51 L52 A58 K59	D18-Y55 PolarHBondContact OD2-OH 2.87Å; D18-Y55 VanDerWaalsContact OD2-OH 3.11Å; V19-Y55 HydrophobicContact CB-CE1 4.49Å; V19-Y55 HydrophobicContact CG2-CE1 3.97Å; T22-Y55 WeakPolarHBondContact CB-OH 3.3Å; T22-Y55 HydrophobicContact CG2-CD2 3.83Å; T22-Y55 HydrophobicContact CG2-CE2 3.21Å; T22-Y55 PolarHBondContact OG1-OH 2.81Å; W51-Y55 HydrophobicContact CH2-CD1 4.42Å; W51-Y55 HydrophobicContact CH2-CD2 4.05Å; W51-Y55 AromaticContact CH2-CG 3.91Å; W51-Y55 HydrophobicContact CH2-CG 3.91Å; W51-Y55 HydrophobicContact CZ2-CD2 4.39Å; W51-Y55 HydrophobicContact CZ3-CD1 4.41Å; W51-Y55 HydrophobicContact CZ3-CG 4.1Å; W51-Y55 WeakPolarHBondContact O-CB 3.41Å; W51-Y55 PolarHBondContact O-N 3.04Å; L52-Y55 PolarHBondContact O-N 3.06Å; Y55-A58 PolarHBondContact O-N 3.49Å; Y55-K59 HydrophobicContact CD1-CG 4.45Å; Y55-K59 HydrophobicContact CE1-CG 3.99Å; Y55-K59 HydrophobicContact CE2-CG 4.07Å; Y55-K59 WeakPolarHBondContact O-CB 3.49Å; Y55-K59 WeakPolarHBondContact O-CG 3.41Å; Y55-K59 PolarHBondContact O-N 2.88Å; Y55-K59 WeakPolarHBondContact OH-CE 3.28Å
56	L	87.3	Confident	82.7	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-43.4	-179	-68.6	170	0	0	0	111.3	F15 V19 L52 H53 A58 K59 V60 I66 A71 L74	F15-L56 HydrophobicContact CE1-CD2 4.03Å; F15-L56 HydrophobicContact CZ-CD2 3.64Å; V19-L56 HydrophobicContact CG2-CD2 4Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CD1 3.47Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.41Å; H53-L56 PolarHBondContact O-N 3.38Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.47Å; L56-K59 PolarHBondContact O-N 3.13Å; L56-V60 PolarHBondContact O-N 2.98Å; L56-I66 HydrophobicContact CB-CD1 3.51Å; L56-I66 HydrophobicContact CB-CG2 4.27Å; L56-I66 HydrophobicContact CD1-CG2 4.37Å; L56-I66 WeakPolarHBondContact O-CD1 3.26Å; L56-A71 HydrophobicContact CD1-CB 4.22Å; L56-L74 HydrophobicContact CD1-CD2 3.76Å; L56-L74 HydrophobicContact CD2-CD2 4.1Å; L56-L74 HydrophobicContact CG-CD2 4.44Å
57	S	86.2	Confident	82.4	Confident	42 Å²	42	71.3 Å²	71.3	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-40.2	176.8	-65.5	0	0	0	0	111.7	H53 G61	H53-S57 WeakPolarHBondContact O-CB 3.28Å; H53-S57 PolarHBondContact O-N 3.36Å; H53-S57 PolarHBondContact O-OG 2.98Å; S57-G61 PolarHBondContact O-N 3.19Å
58	A	81.6	Confident	82.1	Confident	85 Å²	85	73.2 Å²	73.2	70%	0.702	38%	0.378	S	S	*	.	H	α-helix	trans	-67.1	-35.6	175.1	0	0	0	0	0	113.1	G54 Y55 L56	G54-A58 WeakPolarHBondContact O-CB 3.44Å; G54-A58 PolarHBondContact O-N 2.91Å; Y55-A58 PolarHBondContact O-N 3.49Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.47Å
59	K	81.2	Confident	81.7	Confident	110 Å²	110	79.8 Å²	79.8	48%	0.478	41%	0.409	S	S	.	.	H	α-helix	trans	-76	-37.9	-178.6	-86	-83.7	177.8	157.3	0	113.9	D18 Y55 L56	D18-K59 IonicContact OD2-NZ 2.95Å; D18-K59 PolarHBondContact OD2-NZ 3.16Å; Y55-K59 HydrophobicContact CD1-CG 4.45Å; Y55-K59 HydrophobicContact CE1-CG 3.99Å; Y55-K59 HydrophobicContact CE2-CG 4.07Å; Y55-K59 WeakPolarHBondContact O-CB 3.49Å; Y55-K59 WeakPolarHBondContact O-CG 3.41Å; Y55-K59 PolarHBondContact O-N 2.88Å; Y55-K59 WeakPolarHBondContact OH-CE 3.28Å; L56-K59 PolarHBondContact O-N 3.13Å
60	V	79.2	Confident	81.4	Confident	40 Å²	40	84.5 Å²	84.5	24%	0.242	43%	0.43	C	S	.	.	H	α-helix	trans	-87.8	-18.4	-178.7	-179.4	0	0	0	0	111.7	F15 L56 S63 R64 I66	F15-V60 HydrophobicContact CZ-CG2 4.4Å; L56-V60 PolarHBondContact O-N 2.98Å; V60-S63 PolarHBondContact O-OG 3.43Å; V60-R64 HydrophobicContact CG1-CB 3.79Å; V60-R64 HydrophobicContact CG1-CG 4.24Å; V60-I66 HydrophobicContact CB-CD1 3.96Å; V60-I66 HydrophobicContact CG2-CD1 3.72Å
61	G	70.1	Confident	81.3	Confident	38 Å²	38	81.5 Å²	81.5	39%	0.392	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	67	-165.1	-179.4	0	0	0	0	0	112.6	S57 S63	S57-G61 PolarHBondContact O-N 3.19Å; G61-S63 PolarHBondContact O-N 3.21Å
62	E	63.8	Low	81	Confident	204 Å²	204	79.9 Å²	79.9	95%	0.953	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-64.7	-9.8	178.4	-68.4	179.7	173.5	0	0	113.7	R64	E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 3.13Å
63	S	57.1	Low	80.8	Confident	95 Å²	95	84.3 Å²	84.3	66%	0.664	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.9	-174.6	74	0	0	0	0	114.2	V60 G61	V60-S63 PolarHBondContact O-OG 3.43Å; G61-S63 PolarHBondContact O-N 3.21Å
64	R	69.9	Low	80.8	Confident	193 Å²	193	83.6 Å²	83.6	73%	0.728	44%	0.436	S	S	*	.	S	Bend	trans	-147.9	126	174.8	-62.4	-174	-178.6	-155.6	-1.4	111.6	V60 E62 I66	V60-R64 HydrophobicContact CG1-CB 3.79Å; V60-R64 HydrophobicContact CG1-CG 4.24Å; E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 3.13Å; R64-I66 PolarHBondContact O-N 3.41Å; R64-I66 VanDerWaalsContact O-N 3.11Å
65	L	73.2	Confident	80.9	Confident	169 Å²	169	81.6 Å²	81.6	89%	0.885	42%	0.415	S	S	*	.			trans	-67.7	106.7	169.8	-70.4	170.2	0	0	0	110.2
66	I	80.4	Confident	80.7	Confident	26 Å²	26	81.6 Å²	81.6	13%	0.133	42%	0.417	C	S	.	.			trans	-83	119.4	172.4	-59.4	-176.1	0	0	0	108	H53 L56 V60 R64 Q70	H53-I66 PolarHBondContact CD2-O 3.49Å; H53-I66 PolarHBondContact NE2-O 3.36Å; L56-I66 HydrophobicContact CB-CD1 3.51Å; L56-I66 HydrophobicContact CB-CG2 4.27Å; L56-I66 HydrophobicContact CD1-CG2 4.37Å; L56-I66 WeakPolarHBondContact O-CD1 3.26Å; V60-I66 HydrophobicContact CB-CD1 3.96Å; V60-I66 HydrophobicContact CG2-CD1 3.72Å; R64-I66 PolarHBondContact O-N 3.41Å; R64-I66 VanDerWaalsContact O-N 3.11Å; I66-Q70 VanDerWaalsContact CA-OE1 3.32Å; I66-Q70 HydrophobicContact CG2-CB 4.25Å
67	R	83.6	Confident	80.7	Confident	173 Å²	173	86.5 Å²	86.5	65%	0.653	44%	0.438	S	S	*	.			trans	-79.6	147.4	175.6	-63.9	-175.6	-174.8	176.7	1.1	109.6	E69 Q70 A71	R67-E69 PolarHBondContact O-N 3.39Å; R67-E69 VanDerWaalsContact O-N 3.08Å; R67-Q70 HydrophobicContact CB-CG 4.43Å; R67-Q70 WeakPolarHBondContact O-CB 3.4Å; R67-Q70 PolarHBondContact O-N 2.85Å; R67-A71 PolarHBondContact O-N 3.31Å
68	R	84	Confident	80.7	Confident	113 Å²	113	84.6 Å²	84.6	43%	0.426	42%	0.424	S	S	.	.	H	α-helix	trans	-52.2	-33.6	174.4	-171	-175.9	177.6	115.2	13.9	112.4	V49 D50 Q70 A71 A72	V49-R68 HydrophobicContact CG1-CG 3.88Å; D50-R68 IonicContact OD1-CZ 2.91Å; D50-R68 IonicContact OD1-NE 3.54Å; D50-R68 IonicContact OD1-NH1 3.16Å; D50-R68 PolarHBondContact OD1-NH1 3.08Å; D50-R68 IonicContact OD1-NH2 3.73Å; D50-R68 PolarHBondContact OD1-NH2 2.66Å; D50-R68 IonicContact OD2-CZ 3.04Å; D50-R68 IonicContact OD2-NH1 3.03Å; D50-R68 IonicContact OD2-NH2 3.86Å; D50-R68 PolarHBondContact OD2-NH2 2.67Å; R68-Q70 VanDerWaalsContact C-N 3.32Å; R68-Q70 PolarHBondContact O-N 3Å; R68-A71 PolarHBondContact O-N 3.23Å; R68-A72 WeakPolarHBondContact O-CB 3.48Å; R68-A72 PolarHBondContact O-N 3.35Å
69	E	83.3	Confident	80.9	Confident	137 Å²	137	84 Å²	84	64%	0.64	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-33	176.3	-64.8	172.1	178.7	0	0	113.5	R67 A72 T73	R67-E69 PolarHBondContact O-N 3.39Å; R67-E69 VanDerWaalsContact O-N 3.08Å; E69-A72 WeakPolarHBondContact O-CB 3.48Å; E69-A72 PolarHBondContact O-N 3.29Å; E69-T73 WeakPolarHBondContact O-CB 3.34Å; E69-T73 PolarHBondContact O-N 3.22Å; E69-T73 PolarHBondContact O-OG1 3.4Å
70	Q	85.5	Confident	80.8	Confident	104 Å²	104	81.4 Å²	81.4	49%	0.486	41%	0.408	S	S	.	.	H	α-helix	trans	-71.3	-41.6	176.3	-65.6	172.2	-38.3	0	0	110.6	I66 R67 R68 A72 T73 L74	I66-Q70 VanDerWaalsContact CA-OE1 3.32Å; I66-Q70 HydrophobicContact CG2-CB 4.25Å; R67-Q70 HydrophobicContact CB-CG 4.43Å; R67-Q70 WeakPolarHBondContact O-CB 3.4Å; R67-Q70 PolarHBondContact O-N 2.85Å; R68-Q70 VanDerWaalsContact C-N 3.32Å; R68-Q70 PolarHBondContact O-N 3Å; Q70-A72 VanDerWaalsContact C-N 3.31Å; Q70-A72 PolarHBondContact O-N 3.02Å; Q70-T73 PolarHBondContact O-N 2.83Å; Q70-L74 PolarHBondContact O-N 3.36Å
71	A	87.4	Confident	80.9	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-62.2	-39.5	172	0	0	0	0	0	111.6	V49 L52 H53 L56 R67 R68 L74 F75	V49-A71 HydrophobicContact CG1-CB 4.31Å; L52-A71 HydrophobicContact CB-CB 4.15Å; H53-A71 HydrophobicContact CB-CB 3.84Å; L56-A71 HydrophobicContact CD1-CB 4.22Å; R67-A71 PolarHBondContact O-N 3.31Å; R68-A71 PolarHBondContact O-N 3.23Å; A71-L74 PolarHBondContact O-N 3.45Å; A71-F75 WeakPolarHBondContact O-CB 3.1Å; A71-F75 PolarHBondContact O-N 3.21Å
72	A	88.2	Confident	81.4	Confident	13 Å²	13	91 Å²	91	11%	0.107	43%	0.432	C	S	.	.	H	α-helix	trans	-63.7	-39.6	173.9	0	0	0	0	0	112.5	V49 R68 E69 Q70 L74 F75 E76 Y97	V49-A72 HydrophobicContact CG1-CB 4.16Å; V49-A72 HydrophobicContact CG2-CB 4.27Å; R68-A72 WeakPolarHBondContact O-CB 3.48Å; R68-A72 PolarHBondContact O-N 3.35Å; E69-A72 WeakPolarHBondContact O-CB 3.48Å; E69-A72 PolarHBondContact O-N 3.29Å; Q70-A72 VanDerWaalsContact C-N 3.31Å; Q70-A72 PolarHBondContact O-N 3.02Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-F75 WeakPolarHBondContact O-CB 3.16Å; A72-F75 PolarHBondContact O-N 2.96Å; A72-E76 WeakPolarHBondContact O-CG 3.34Å; A72-E76 PolarHBondContact O-N 2.86Å; A72-E76 VanDerWaalsContact O-N 3.13Å; A72-Y97 HydrophobicContact CB-CD1 4.33Å; A72-Y97 HydrophobicContact CB-CE1 3.6Å; A72-Y97 PolarHBondContact O-OH 2.66Å
73	T	88.7	Confident	82.3	Confident	93 Å²	93	81.4 Å²	81.4	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-67.1	-37.5	175.3	-53.4	0	0	0	0	111.3	E69 Q70 E76 K77	E69-T73 WeakPolarHBondContact O-CB 3.34Å; E69-T73 PolarHBondContact O-N 3.22Å; E69-T73 PolarHBondContact O-OG1 3.4Å; Q70-T73 PolarHBondContact O-N 2.83Å; T73-E76 WeakPolarHBondContact O-CB 2.96Å; T73-E76 PolarHBondContact O-N 3.38Å; T73-K77 PolarHBondContact O-N 3.45Å
74	L	89.2	Confident	83.9	Confident	38 Å²	38	77 Å²	77	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-66.9	-41.8	176.1	-164.3	67.1	0	0	0	111.7	W16 V19 L56 Q70 A71 A72 E76 K77 M78	W16-L74 HydrophobicContact CE3-CD1 3.95Å; W16-L74 HydrophobicContact CZ3-CD1 3.49Å; W16-L74 VanDerWaalsContact CZ3-CD1 3.49Å; W16-L74 HydrophobicContact CZ3-CG 4.17Å; V19-L74 HydrophobicContact CG1-CD2 3.94Å; L56-L74 HydrophobicContact CD1-CD2 3.76Å; L56-L74 HydrophobicContact CD2-CD2 4.1Å; L56-L74 HydrophobicContact CG-CD2 4.44Å; Q70-L74 PolarHBondContact O-N 3.36Å; A71-L74 PolarHBondContact O-N 3.45Å; A72-L74 VanDerWaalsContact C-N 3.34Å; L74-E76 VanDerWaalsContact C-N 3.31Å; L74-E76 PolarHBondContact O-N 3.4Å; L74-K77 WeakPolarHBondContact O-CB 3.46Å; L74-K77 PolarHBondContact O-N 3.08Å; L74-K77 VanDerWaalsContact O-N 3.13Å; L74-M78 HydrophobicContact CG-SD 4.38Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.4Å; L74-M78 PolarHBondContact O-N 3.48Å
75	F	89.9	Confident	84.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-55.6	-45.8	172.8	177.3	-96.5	0	0	0	111.6	F43 A48 V49 L52 A71 A72 K77 M78 Y79 F84 Y97 Y102	F43-F75 HydrophobicContact CE2-CE2 4.17Å; A48-F75 HydrophobicContact CB-CD2 3.71Å; A48-F75 HydrophobicContact CB-CE2 3.39Å; A48-F75 HydrophobicContact CB-CZ 4.36Å; V49-F75 HydrophobicContact CG2-CB 4.04Å; V49-F75 HydrophobicContact CG2-CD1 4.44Å; V49-F75 HydrophobicContact CG2-CG 4.1Å; L52-F75 HydrophobicContact CD1-CB 3.84Å; L52-F75 HydrophobicContact CD1-CD2 4.14Å; A71-F75 WeakPolarHBondContact O-CB 3.1Å; A71-F75 PolarHBondContact O-N 3.21Å; A72-F75 WeakPolarHBondContact O-CB 3.16Å; A72-F75 PolarHBondContact O-N 2.96Å; F75-K77 VanDerWaalsContact C-N 3.32Å; F75-K77 PolarHBondContact O-N 3.44Å; F75-M78 PolarHBondContact O-N 3.28Å; F75-Y79 PolarHBondContact O-N 2.93Å; F75-F84 HydrophobicContact CD1-CZ 4.38Å; F75-F84 HydrophobicContact CD2-CE1 4.22Å; F75-F84 HydrophobicContact CD2-CE2 4.24Å; F75-F84 AromaticContact CD2-CZ 3.55Å; F75-F84 HydrophobicContact CD2-CZ 3.55Å; F75-F84 AromaticContact CE1-CE2 3.99Å; F75-F84 HydrophobicContact CE1-CE2 3.99Å; F75-F84 HydrophobicContact CE1-CZ 4.1Å; F75-F84 HydrophobicContact CE2-CD2 4.44Å; F75-F84 HydrophobicContact CE2-CE1 4Å; F75-F84 AromaticContact CE2-CE2 3.47Å; F75-F84 HydrophobicContact CE2-CE2 3.47Å; F75-F84 VanDerWaalsContact CE2-CE2 3.47Å; F75-F84 AromaticContact CE2-CZ 3.2Å; F75-F84 HydrophobicContact CE2-CZ 3.2Å; F75-F84 HydrophobicContact CG-CZ 4.13Å; F75-F84 HydrophobicContact CZ-CD2 4.35Å; F75-F84 AromaticContact CZ-CE2 3.32Å; F75-F84 HydrophobicContact CZ-CE2 3.32Å; F75-F84 AromaticContact CZ-CZ 3.52Å; F75-F84 HydrophobicContact CZ-CZ 3.52Å; F75-Y97 HydrophobicContact CD1-CE1 4.38Å; F75-Y102 HydrophobicContact CE1-CE2 4.39Å; F75-Y102 HydrophobicContact CZ-CD2 4.13Å; F75-Y102 HydrophobicContact CZ-CE1 4.42Å; F75-Y102 AromaticContact CZ-CE2 3.9Å; F75-Y102 HydrophobicContact CZ-CE2 3.9Å; F75-Y102 HydrophobicContact CZ-CG 4.49Å
76	E	85.8	Confident	85.4	Confident	31 Å²	31	65.6 Å²	65.6	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-39.5	175.5	-68.9	-57	147.7	0	0	113	A72 T73 L74 M78 Y79 G80 R96 Y97	A72-E76 WeakPolarHBondContact O-CG 3.34Å; A72-E76 PolarHBondContact O-N 2.86Å; A72-E76 VanDerWaalsContact O-N 3.13Å; T73-E76 WeakPolarHBondContact O-CB 2.96Å; T73-E76 PolarHBondContact O-N 3.38Å; L74-E76 VanDerWaalsContact C-N 3.31Å; L74-E76 PolarHBondContact O-N 3.4Å; E76-M78 VanDerWaalsContact C-N 3.35Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.25Å; E76-G80 PolarHBondContact O-N 3.01Å; E76-R96 WeakPolarHBondContact OE1-CD 3.45Å; E76-R96 WeakPolarHBondContact OE1-CG 3.29Å; E76-R96 WeakPolarHBondContact OE2-CD 3.31Å; E76-R96 IonicContact OE2-CZ 2.62Å; E76-R96 IonicContact OE2-NE 2.99Å; E76-R96 IonicContact OE2-NH1 3.74Å; E76-R96 PolarHBondContact OE2-NH1 3.1Å; E76-Y97 HydrophobicContact CG-CE1 4.22Å; E76-Y97 WeakPolarHBondContact CG-OH 3.29Å; E76-Y97 WeakPolarHBondContact OE1-CE1 3.37Å
77	K	86.3	Confident	85.6	Confident	113 Å²	113	66.5 Å²	66.5	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-43.9	176	-174.1	59.5	175.9	143.3	0	110.8	W16 T73 L74 F75 Y79 G80 E81	W16-K77 HydrophobicContact CH2-CB 4.26Å; W16-K77 HydrophobicContact CH2-CG 3.74Å; W16-K77 HydrophobicContact CZ2-CG 4.42Å; W16-K77 HydrophobicContact CZ3-CG 4.21Å; T73-K77 PolarHBondContact O-N 3.45Å; L74-K77 WeakPolarHBondContact O-CB 3.46Å; L74-K77 PolarHBondContact O-N 3.08Å; L74-K77 VanDerWaalsContact O-N 3.13Å; F75-K77 VanDerWaalsContact C-N 3.32Å; F75-K77 PolarHBondContact O-N 3.44Å; K77-Y79 VanDerWaalsContact C-N 3.34Å; K77-G80 PolarHBondContact O-N 2.81Å; K77-E81 IonicContact NZ-OE1 3.98Å; K77-E81 PolarHBondContact NZ-OE1 3.5Å; K77-E81 PolarHBondContact O-N 2.9Å
78	M	86.1	Confident	85.2	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-34.7	177.5	-65.6	170.6	71	0	0	112.7	W16 V19 I20 F23 L52 L74 F75 E76 E81 L83 F84	W16-M78 HydrophobicContact CH2-CB 4.42Å; W16-M78 HydrophobicContact CH2-CG 3.45Å; W16-M78 VanDerWaalsContact CH2-CG 3.45Å; W16-M78 HydrophobicContact CZ2-CG 4.43Å; W16-M78 HydrophobicContact CZ3-CG 3.8Å; V19-M78 HydrophobicContact CG1-SD 4.37Å; I20-M78 HydrophobicContact CG1-CE 4.48Å; F23-M78 HydrophobicContact CB-CE 3.6Å; F23-M78 HydrophobicContact CD1-CE 3.25Å; F23-M78 HydrophobicContact CD2-CE 4.23Å; F23-M78 HydrophobicContact CE1-CE 3.93Å; F23-M78 HydrophobicContact CG-CE 3.43Å; F23-M78 VanDerWaalsContact CG-CE 3.43Å; L52-M78 HydrophobicContact CD1-SD 4.28Å; L52-M78 HydrophobicContact CD2-SD 4.17Å; L74-M78 HydrophobicContact CG-SD 4.38Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.4Å; L74-M78 PolarHBondContact O-N 3.48Å; F75-M78 PolarHBondContact O-N 3.28Å; E76-M78 VanDerWaalsContact C-N 3.35Å; M78-E81 PolarHBondContact O-N 3.33Å; M78-L83 HydrophobicContact CB-CD2 4.38Å; M78-L83 HydrophobicContact CE-CD2 3.29Å; M78-L83 PolarHBondContact O-N 3.13Å; M78-F84 HydrophobicContact CB-CE1 3.83Å; M78-F84 HydrophobicContact CB-CZ 4.36Å
79	Y	85.8	Confident	84.3	Confident	73 Å²	73	63.8 Å²	63.8	29%	0.286	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-43.3	171.8	-179.3	-114.8	0	0	0	111.6	F75 E76 K77 E81 R82 F84 Y102	F75-Y79 PolarHBondContact O-N 2.93Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.25Å; K77-Y79 VanDerWaalsContact C-N 3.34Å; Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 3.44Å; Y79-R82 PolarHBondContact O-N 2.82Å; Y79-F84 AromaticContact CD2-CD2 3.87Å; Y79-F84 HydrophobicContact CD2-CD2 3.87Å; Y79-F84 AromaticContact CD2-CE2 3.64Å; Y79-F84 HydrophobicContact CD2-CE2 3.64Å; Y79-F84 WeakPolarHBondContact CD2-O 3.42Å; Y79-F84 HydrophobicContact CG-CE2 4.1Å; Y79-Y102 HydrophobicContact CD2-CE1 4.41Å; Y79-Y102 HydrophobicContact CE2-CE1 4.31Å
80	G	79.3	Confident	83.3	Confident	55 Å²	55	60 Å²	60	57%	0.567	30%	0.303	S	S	*	.	H	α-helix	trans	-60.1	-32.4	175.5	0	0	0	0	0	114.1	E76 K77 R82	E76-G80 PolarHBondContact O-N 3.01Å; K77-G80 PolarHBondContact O-N 2.81Å; G80-R82 PolarHBondContact O-N 2.75Å
81	E	80.7	Confident	81.8	Confident	85 Å²	85	63.1 Å²	63.1	40%	0.397	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	11.1	174.7	-54	-55.8	150.4	0	0	113.4	W16 K77 M78 Y79 L83 I112	W16-E81 HydrophobicContact CZ2-CG 4.09Å; K77-E81 IonicContact NZ-OE1 3.98Å; K77-E81 PolarHBondContact NZ-OE1 3.5Å; K77-E81 PolarHBondContact O-N 2.9Å; M78-E81 PolarHBondContact O-N 3.33Å; Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 3.44Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 2.78Å; E81-I112 HydrophobicContact CB-CG2 4.11Å
82	R	80.9	Confident	80.2	Confident	196 Å²	196	70.4 Å²	70.4	74%	0.74	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	28.3	177.1	-57.8	-177.1	178.3	177.1	-0.5	115.3	Y79 G80 F84 T105	Y79-R82 PolarHBondContact O-N 2.82Å; G80-R82 PolarHBondContact O-N 2.75Å; R82-F84 PolarHBondContact O-N 3.47Å; R82-T105 WeakPolarHBondContact O-CB 3.45Å; R82-T105 PolarHBondContact O-OG1 2.97Å
83	L	84.2	Confident	78.5	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	38%	0.383	C	S	.	.	S	Bend	trans	-64.3	-31	176.5	-172.9	66.1	0	0	0	112.5	I20 F23 R24 M78 E81 F104 T105 I112	I20-L83 HydrophobicContact CG2-CD1 3.99Å; I20-L83 HydrophobicContact CG2-CD2 4.12Å; F23-L83 HydrophobicContact CD1-CD2 3.76Å; F23-L83 HydrophobicContact CE1-CD2 4.28Å; R24-L83 PolarHBondContact NH1-O 2.73Å; M78-L83 HydrophobicContact CB-CD2 4.38Å; M78-L83 HydrophobicContact CE-CD2 3.29Å; M78-L83 PolarHBondContact O-N 3.13Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 2.78Å; L83-F104 HydrophobicContact CD2-CE1 4.48Å; L83-F104 HydrophobicContact CG-CD1 4.47Å; L83-F104 HydrophobicContact CG-CE1 4.35Å; L83-T105 PolarHBondContact O-N 2.87Å; L83-T105 VanDerWaalsContact O-N 3.1Å; L83-T105 PolarHBondContact O-OG1 3.24Å; L83-I112 HydrophobicContact CB-CD1 4.47Å; L83-I112 HydrophobicContact CD1-CD1 3.67Å
84	F	89.5	Confident	76.4	Confident	2 Å²	2	78.5 Å²	78.5	1%	0.009	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.9	178.1	53.3	-95.6	0	0	0	110.7	F23 F43 F75 M78 Y79 R82 Y102 R103 F104	F23-F84 AromaticContact CE1-CD1 3.79Å; F23-F84 HydrophobicContact CE1-CD1 3.79Å; F23-F84 AromaticContact CE1-CE1 3.78Å; F23-F84 HydrophobicContact CE1-CE1 3.78Å; F23-F84 HydrophobicContact CZ-CD1 4.5Å; F23-F84 HydrophobicContact CZ-CE1 4.24Å; F43-F84 HydrophobicContact CE1-CB 4.48Å; F43-F84 HydrophobicContact CE2-CD2 4.47Å; F43-F84 HydrophobicContact CE2-CG 4.48Å; F43-F84 HydrophobicContact CZ-CB 3.84Å; F43-F84 HydrophobicContact CZ-CD1 4.18Å; F43-F84 HydrophobicContact CZ-CD2 4.2Å; F43-F84 AromaticContact CZ-CG 3.82Å; F43-F84 HydrophobicContact CZ-CG 3.82Å; F75-F84 HydrophobicContact CD1-CZ 4.38Å; F75-F84 HydrophobicContact CD2-CE1 4.22Å; F75-F84 HydrophobicContact CD2-CE2 4.24Å; F75-F84 AromaticContact CD2-CZ 3.55Å; F75-F84 HydrophobicContact CD2-CZ 3.55Å; F75-F84 AromaticContact CE1-CE2 3.99Å; F75-F84 HydrophobicContact CE1-CE2 3.99Å; F75-F84 HydrophobicContact CE1-CZ 4.1Å; F75-F84 HydrophobicContact CE2-CD2 4.44Å; F75-F84 HydrophobicContact CE2-CE1 4Å; F75-F84 AromaticContact CE2-CE2 3.47Å; F75-F84 HydrophobicContact CE2-CE2 3.47Å; F75-F84 VanDerWaalsContact CE2-CE2 3.47Å; F75-F84 AromaticContact CE2-CZ 3.2Å; F75-F84 HydrophobicContact CE2-CZ 3.2Å; F75-F84 HydrophobicContact CG-CZ 4.13Å; F75-F84 HydrophobicContact CZ-CD2 4.35Å; F75-F84 AromaticContact CZ-CE2 3.32Å; F75-F84 HydrophobicContact CZ-CE2 3.32Å; F75-F84 AromaticContact CZ-CZ 3.52Å; F75-F84 HydrophobicContact CZ-CZ 3.52Å; M78-F84 HydrophobicContact CB-CE1 3.83Å; M78-F84 HydrophobicContact CB-CZ 4.36Å; Y79-F84 AromaticContact CD2-CD2 3.87Å; Y79-F84 HydrophobicContact CD2-CD2 3.87Å; Y79-F84 AromaticContact CD2-CE2 3.64Å; Y79-F84 HydrophobicContact CD2-CE2 3.64Å; Y79-F84 WeakPolarHBondContact CD2-O 3.42Å; Y79-F84 HydrophobicContact CG-CE2 4.1Å; R82-F84 PolarHBondContact O-N 3.47Å; F84-Y102 AromaticContact CD2-CD1 3.67Å; F84-Y102 HydrophobicContact CD2-CD1 3.67Å; F84-Y102 HydrophobicContact CD2-CE1 4.31Å; F84-Y102 HydrophobicContact CD2-CG 4.12Å; F84-Y102 HydrophobicContact CE2-CD1 4.02Å; F84-Y102 HydrophobicContact CE2-CE1 4.27Å; F84-Y102 HydrophobicContact CE2-CG 4.49Å; F84-R103 CarbonylContact C-O 3.58Å; F84-R103 WeakPolarHBondContact CA-O 3.41Å; F84-R103 VanDerWaalsContact CB-O 3.25Å; F84-R103 WeakPolarHBondContact CB-O 3.33Å; F84-F104 HydrophobicContact CB-CD1 4.1Å; F84-F104 HydrophobicContact CD1-CE1 4.42Å
85	Y	87.9	Confident	74.4	Confident	99 Å²	99	79.3 Å²	79.3	39%	0.388	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.2	-178.6	62	-88.2	0	0	0	111.3	Y102 R103	Y85-Y102 WeakPolarHBondContact O-CA 3.46Å; Y85-R103 WeakPolarHBondContact CD1-O 3.37Å; Y85-R103 HydrophobicContact CE1-CB 4.39Å; Y85-R103 HydrophobicContact CE2-CB 4.35Å; Y85-R103 PolarHBondContact N-O 2.81Å; Y85-R103 PolarHBondContact O-N 2.62Å
86	P	87.2	Confident	72.7	Confident	25 Å²	25	82.9 Å²	82.9	16%	0.162	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.6	175.9	33.3	-37.4	0	0	0	110.1	R88 V90 I101 Y102	P86-R88 WeakPolarHBondContact CB-O 3.3Å; P86-R88 PolarHBondContact O-N 3.04Å; P86-V90 HydrophobicContact CB-CG2 4.06Å; P86-V90 HydrophobicContact CG-CG2 4.43Å; P86-I101 WeakPolarHBondContact CA-O 3.42Å; P86-Y102 HydrophobicContact CB-CD1 4.08Å; P86-Y102 HydrophobicContact CB-CE1 3.94Å
87	V	83.6	Confident	71.1	Confident	44 Å²	44	86 Å²	86	27%	0.267	43%	0.429	S	S	.	.	S	Bend	trans	-72.2	-21.1	-179.2	-169.3	0	0	0	0	112.1	Y39 I101 R103	Y39-V87 HydrophobicContact CD1-CB 4.27Å; Y39-V87 HydrophobicContact CD1-CG1 3.33Å; Y39-V87 HydrophobicContact CE1-CB 4.25Å; Y39-V87 HydrophobicContact CE1-CG1 3.19Å; Y39-V87 HydrophobicContact CG-CG1 4.12Å; V87-I101 HydrophobicContact CG2-CG2 4.03Å; V87-I101 PolarHBondContact N-O 3.16Å; V87-R103 HydrophobicContact CG2-CB 3.98Å
88	R	75.3	Confident	69.8	Low	113 Å²	113	91 Å²	91	43%	0.426	45%	0.445	S	S	.	.	S	Bend	trans	-124.4	143.1	168.4	-71.5	-168.4	-178.3	168.7	6.9	110.4	R34 Y39 P86 V90	R34-R88 PolarHBondContact O-NH2 2.9Å; Y39-R88 PolarHBondContact OH-NE 3.03Å; Y39-R88 PolarHBondContact OH-NH2 3.08Å; P86-R88 WeakPolarHBondContact CB-O 3.3Å; P86-R88 PolarHBondContact O-N 3.04Å; R88-V90 PolarHBondContact O-N 2.99Å
89	P	66.1	Low	68.9	Low	116 Å²	116	92.3 Å²	92.3	75%	0.753	46%	0.458	S	S	*	.			trans	-54.3	126	172.3	-21.1	30.7	0	0	0	110.8	L91	P89-L91 PolarHBondContact O-N 2.89Å
90	V	62.3	Low	68.7	Low	59 Å²	59	89.3 Å²	89.3	36%	0.358	45%	0.449	S	S	.	.			trans	-83.2	106.3	177.2	-178.3	0	0	0	0	107.9	P86 R88 K92 A100	P86-V90 HydrophobicContact CB-CG2 4.06Å; P86-V90 HydrophobicContact CG-CG2 4.43Å; R88-V90 PolarHBondContact O-N 2.99Å; V90-K92 VanDerWaalsContact C-N 3.27Å; V90-K92 WeakPolarHBondContact CG1-O 3.49Å; V90-K92 PolarHBondContact O-N 3.47Å; V90-A100 HydrophobicContact CG2-CB 3.94Å
91	L	53.6	Low	69.1	Low	169 Å²	169	87.4 Å²	87.4	89%	0.885	43%	0.426	S	S	*	.	S	Bend	trans	-71.3	-15.2	-174.2	-66.7	170.1	0	0	0	114.4	P89	P89-L91 PolarHBondContact O-N 2.89Å
92	K	53.9	Low	69.6	Low	153 Å²	153	83.4 Å²	83.4	67%	0.665	41%	0.407	S	S	*	.			trans	-135.4	123.1	179.9	-74.3	-175.1	177.6	-179.3	0	111.2	V90 S94 S95	V90-K92 VanDerWaalsContact C-N 3.27Å; V90-K92 WeakPolarHBondContact CG1-O 3.49Å; V90-K92 PolarHBondContact O-N 3.47Å; K92-S94 PolarHBondContact O-N 3.02Å; K92-S95 PolarHBondContact O-N 3.06Å; K92-S95 VanDerWaalsContact O-N 3.12Å
93	E	51.8	Low	70.1	Confident	154 Å²	154	78.8 Å²	78.8	72%	0.72	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-61	-32.8	-178.7	-158.4	157.2	-150.4	0	0	112.4	S95 R96	E93-S95 PolarHBondContact O-N 2.69Å; E93-R96 PolarHBondContact O-N 2.91Å; E93-R96 IonicContact OE1-NH2 2.84Å; E93-R96 PolarHBondContact OE1-NH2 2.73Å
94	S	46.2	Very low	70.4	Confident	121 Å²	121	79.3 Å²	79.3	85%	0.846	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-65.8	-5.2	176.2	-45.9	0	0	0	0	115.1	K92	K92-S94 PolarHBondContact O-N 3.02Å
95	S	46.4	Very low	70.3	Confident	55 Å²	55	80.6 Å²	80.6	39%	0.385	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-113.8	13.2	-177	-57	0	0	0	0	114.2	K92 E93 Y97 R98	K92-S95 PolarHBondContact O-N 3.06Å; K92-S95 VanDerWaalsContact O-N 3.12Å; E93-S95 PolarHBondContact O-N 2.69Å; S95-Y97 PolarHBondContact O-N 3.29Å; S95-Y97 VanDerWaalsContact O-N 3.09Å; S95-R98 PolarHBondContact O-N 3.4Å; S95-R98 VanDerWaalsContact O-N 3.1Å
96	R	53.8	Low	69.8	Low	75 Å²	75	82.7 Å²	82.7	28%	0.283	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33	-178.2	-151.3	176.6	-77.9	173.3	4.1	113.2	E76 E93 Y102	E76-R96 WeakPolarHBondContact OE1-CD 3.45Å; E76-R96 WeakPolarHBondContact OE1-CG 3.29Å; E76-R96 WeakPolarHBondContact OE2-CD 3.31Å; E76-R96 IonicContact OE2-CZ 2.62Å; E76-R96 IonicContact OE2-NE 2.99Å; E76-R96 IonicContact OE2-NH1 3.74Å; E76-R96 PolarHBondContact OE2-NH1 3.1Å; E93-R96 PolarHBondContact O-N 2.91Å; E93-R96 IonicContact OE1-NH2 2.84Å; E93-R96 PolarHBondContact OE1-NH2 2.73Å; R96-Y102 PolarHBondContact O-OH 2.94Å
97	Y	53.3	Low	69.3	Low	96 Å²	96	84.6 Å²	84.6	38%	0.376	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-20.2	178.7	-60.2	-68	0	0	0	116.2	V49 A72 F75 E76 S95 G99	V49-Y97 HydrophobicContact CG2-CD1 4.4Å; A72-Y97 HydrophobicContact CB-CD1 4.33Å; A72-Y97 HydrophobicContact CB-CE1 3.6Å; A72-Y97 PolarHBondContact O-OH 2.66Å; F75-Y97 HydrophobicContact CD1-CE1 4.38Å; E76-Y97 HydrophobicContact CG-CE1 4.22Å; E76-Y97 WeakPolarHBondContact CG-OH 3.29Å; E76-Y97 WeakPolarHBondContact OE1-CE1 3.37Å; S95-Y97 PolarHBondContact O-N 3.29Å; S95-Y97 VanDerWaalsContact O-N 3.09Å; Y97-G99 PolarHBondContact O-N 3.24Å
98	R	57.2	Low	68.7	Low	220 Å²	220	86.4 Å²	86.4	83%	0.83	44%	0.442	S	S	*	.	S	Bend	trans	-103.7	45.3	-162.8	-73.9	-161.2	179.9	-158.2	3.3	115.3	S95	S95-R98 PolarHBondContact O-N 3.4Å; S95-R98 VanDerWaalsContact O-N 3.1Å
99	G	68.6	Low	68.5	Low	27 Å²	27	82.5 Å²	82.5	28%	0.278	43%	0.43	S	S	.	.	S	Bend	trans	121.8	10	160	0	0	0	0	0	116.2	R34 Y97	R34-G99 VanDerWaalsContact NH1-C 3.27Å; R34-G99 PolarHBondContact NH1-O 3.36Å; Y97-G99 PolarHBondContact O-N 3.24Å
100	A	82.1	Confident	68.6	Low	11 Å²	11	81.5 Å²	81.5	9%	0.091	43%	0.426	C	S	.	.			trans	-59.9	141.4	167.5	0	0	0	0	0	110.3	T44 G45 V90 Y102	T44-A100 WeakPolarHBondContact CA-O 3.32Å; G45-A100 PolarHBondContact N-O 2.85Å; V90-A100 HydrophobicContact CG2-CB 3.94Å; A100-Y102 HydrophobicContact CB-CE2 3.74Å; A100-Y102 WeakPolarHBondContact O-CD2 3.5Å; A100-Y102 WeakPolarHBondContact O-CE2 3.34Å
101	I	87.6	Confident	68.7	Low	14 Å²	14	82.5 Å²	82.5	7%	0.072	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.7	175.5	-61.4	170.9	0	0	0	107.1	H32 R34 Y39 S42 P86 V87	H32-I101 HydrophobicContact CB-CD1 3.6Å; H32-I101 HydrophobicContact CB-CG1 3.98Å; H32-I101 HydrophobicContact CB-CG2 4.18Å; R34-I101 HydrophobicContact CB-CD1 3.62Å; Y39-I101 HydrophobicContact CD2-CD1 3.72Å; Y39-I101 HydrophobicContact CD2-CG2 4.48Å; Y39-I101 HydrophobicContact CE2-CD1 4.24Å; S42-I101 VanDerWaalsContact CB-CG2 3.48Å; S42-I101 WeakPolarHBondContact OG-CG2 3.33Å; P86-I101 WeakPolarHBondContact CA-O 3.42Å; V87-I101 HydrophobicContact CG2-CG2 4.03Å; V87-I101 PolarHBondContact N-O 3.16Å
102	Y	91.3	Very high	69.4	Low	1 Å²	1	75.7 Å²	75.7	0%	0.004	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.6	-177.7	-64.6	-86.8	0	0	0	111	S42 F43 F75 Y79 F84 Y85 P86 R96 A100	S42-Y102 WeakPolarHBondContact CA-O 3.44Å; S42-Y102 VanDerWaalsContact CB-O 3.31Å; S42-Y102 WeakPolarHBondContact CB-O 3.19Å; F43-Y102 VanDerWaalsContact CE2-CB 3.44Å; F43-Y102 HydrophobicContact CE2-CD2 4.35Å; F43-Y102 HydrophobicContact CE2-CG 4.12Å; F43-Y102 PolarHBondContact N-O 3.1Å; F43-Y102 VanDerWaalsContact N-O 3.07Å; F43-Y102 PolarHBondContact O-N 2.91Å; F75-Y102 HydrophobicContact CE1-CE2 4.39Å; F75-Y102 HydrophobicContact CZ-CD2 4.13Å; F75-Y102 HydrophobicContact CZ-CE1 4.42Å; F75-Y102 AromaticContact CZ-CE2 3.9Å; F75-Y102 HydrophobicContact CZ-CE2 3.9Å; F75-Y102 HydrophobicContact CZ-CG 4.49Å; Y79-Y102 HydrophobicContact CD2-CE1 4.41Å; Y79-Y102 HydrophobicContact CE2-CE1 4.31Å; F84-Y102 AromaticContact CD2-CD1 3.67Å; F84-Y102 HydrophobicContact CD2-CD1 3.67Å; F84-Y102 HydrophobicContact CD2-CE1 4.31Å; F84-Y102 HydrophobicContact CD2-CG 4.12Å; F84-Y102 HydrophobicContact CE2-CD1 4.02Å; F84-Y102 HydrophobicContact CE2-CE1 4.27Å; F84-Y102 HydrophobicContact CE2-CG 4.49Å; Y85-Y102 WeakPolarHBondContact O-CA 3.46Å; P86-Y102 HydrophobicContact CB-CD1 4.08Å; P86-Y102 HydrophobicContact CB-CE1 3.94Å; R96-Y102 PolarHBondContact O-OH 2.94Å; A100-Y102 HydrophobicContact CB-CE2 3.74Å; A100-Y102 WeakPolarHBondContact O-CD2 3.5Å; A100-Y102 WeakPolarHBondContact O-CE2 3.34Å
103	R	90.3	Very high	69.9	Low	99 Å²	99	68.7 Å²	68.7	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.8	170.2	-169.8	171.6	177.5	131.4	-10.2	109.7	E40 F84 Y85 V87	E40-R103 PolarHBondContact O-NH1 3.13Å; F84-R103 CarbonylContact C-O 3.58Å; F84-R103 WeakPolarHBondContact CA-O 3.41Å; F84-R103 VanDerWaalsContact CB-O 3.25Å; F84-R103 WeakPolarHBondContact CB-O 3.33Å; Y85-R103 WeakPolarHBondContact CD1-O 3.37Å; Y85-R103 HydrophobicContact CE1-CB 4.39Å; Y85-R103 HydrophobicContact CE2-CB 4.35Å; Y85-R103 PolarHBondContact N-O 2.81Å; Y85-R103 PolarHBondContact O-N 2.62Å; V87-R103 HydrophobicContact CG2-CB 3.98Å
104	F	91.2	Very high	70.2	Confident	12 Å²	12	67.3 Å²	67.3	5%	0.053	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.2	174.8	-88.2	-48.9	0	0	0	111.9	F23 R24 M27 L29 F43 L83 F84	F23-F104 AromaticContact CD1-CE1 3.58Å; F23-F104 HydrophobicContact CD1-CE1 3.58Å; F23-F104 AromaticContact CD1-CZ 3.64Å; F23-F104 HydrophobicContact CD1-CZ 3.64Å; F23-F104 AromaticContact CE1-CE1 3.4Å; F23-F104 HydrophobicContact CE1-CE1 3.4Å; F23-F104 VanDerWaalsContact CE1-CE1 3.4Å; F23-F104 AromaticContact CE1-CZ 3.48Å; F23-F104 HydrophobicContact CE1-CZ 3.48Å; F23-F104 VanDerWaalsContact CE1-CZ 3.48Å; F23-F104 HydrophobicContact CG-CZ 4.49Å; F23-F104 HydrophobicContact CZ-CE1 4.44Å; F23-F104 HydrophobicContact CZ-CZ 4.2Å; F23-F104 WeakPolarHBondContact O-CZ 3.45Å; R24-F104 VanDerWaalsContact CD-CD1 3.42Å; R24-F104 VanDerWaalsContact CZ-CB 3.44Å; R24-F104 VanDerWaalsContact NH1-CB 3.25Å; M27-F104 HydrophobicContact CB-CE2 3.98Å; M27-F104 HydrophobicContact CB-CZ 3.93Å; M27-F104 HydrophobicContact CG-CE2 4.23Å; M27-F104 HydrophobicContact CG-CZ 4.24Å; L29-F104 HydrophobicContact CD1-CD2 4.23Å; L29-F104 HydrophobicContact CD2-CD2 3.84Å; L29-F104 HydrophobicContact CD2-CE2 3.83Å; F43-F104 HydrophobicContact CD1-CD2 4.4Å; F43-F104 HydrophobicContact CD1-CE2 4.18Å; F43-F104 HydrophobicContact CE1-CD1 4.25Å; F43-F104 AromaticContact CE1-CD2 3.82Å; F43-F104 HydrophobicContact CE1-CD2 3.82Å; F43-F104 HydrophobicContact CE1-CE1 4.15Å; F43-F104 AromaticContact CE1-CE2 3.7Å; F43-F104 HydrophobicContact CE1-CE2 3.7Å; F43-F104 HydrophobicContact CE1-CG 4.08Å; F43-F104 AromaticContact CE1-CZ 3.87Å; F43-F104 HydrophobicContact CE1-CZ 3.87Å; F43-F104 HydrophobicContact CZ-CE1 4.31Å; F43-F104 HydrophobicContact CZ-CZ 4.27Å; L83-F104 HydrophobicContact CD2-CE1 4.48Å; L83-F104 HydrophobicContact CG-CD1 4.47Å; L83-F104 HydrophobicContact CG-CE1 4.35Å; F84-F104 HydrophobicContact CB-CD1 4.1Å; F84-F104 HydrophobicContact CD1-CE1 4.42Å
105	T	86.1	Confident	70.5	Confident	30 Å²	30	64.3 Å²	64.3	18%	0.184	34%	0.343	C	S	.	.			trans	-76.6	143	177	-47.4	0	0	0	0	110.8	R24 R82 L83 V107	R24-T105 PolarHBondContact NH1-O 3.26Å; R24-T105 PolarHBondContact NH2-O 3.25Å; R82-T105 WeakPolarHBondContact O-CB 3.45Å; R82-T105 PolarHBondContact O-OG1 2.97Å; L83-T105 PolarHBondContact O-N 2.87Å; L83-T105 VanDerWaalsContact O-N 3.1Å; L83-T105 PolarHBondContact O-OG1 3.24Å; T105-V107 HydrophobicContact CG2-CB 4Å; T105-V107 HydrophobicContact CG2-CG2 3.64Å; T105-V107 PolarHBondContact O-N 3.21Å
106	D	78.6	Confident	70.3	Confident	143 Å²	143	64.1 Å²	64.1	77%	0.765	34%	0.341	S	S	*	.	S	Bend	trans	-72.2	-1.4	179.7	-58.7	-42.1	0	0	0	114.7
107	V	75	Confident	69.6	Low	65 Å²	65	66.3 Å²	66.3	39%	0.394	36%	0.357	S	S	.	.	S	Bend	trans	-61.7	128.3	175.3	172.4	0	0	0	0	110.3	T105 S111 I112	T105-V107 HydrophobicContact CG2-CB 4Å; T105-V107 HydrophobicContact CG2-CG2 3.64Å; T105-V107 PolarHBondContact O-N 3.21Å; V107-S111 WeakPolarHBondContact CG1-OG 3.29Å; V107-I112 HydrophobicContact CG1-CD1 4.34Å; V107-I112 HydrophobicContact CG1-CG1 4.37Å
108	P	72.4	Confident	69.1	Low	82 Å²	82	65 Å²	65	53%	0.532	37%	0.367	S	S	.	.			trans	-66.4	137.3	-178.1	26.8	-34.4	0	0	0	110.9	S110 S111	P108-S110 PolarHBondContact O-N 2.92Å; P108-S111 WeakPolarHBondContact O-CB 3.34Å; P108-S111 PolarHBondContact O-N 3.22Å; P108-S111 PolarHBondContact O-OG 2.7Å
109	V	71	Confident	68.4	Low	30 Å²	30	60 Å²	60	18%	0.182	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-55.9	-28	-178.6	177.4	0	0	0	0	112.6	I20 R21 R24 S111 I112 V113	I20-V109 HydrophobicContact CG2-CG1 3.61Å; R21-V109 HydrophobicContact CG-CG1 3.84Å; R24-V109 HydrophobicContact CB-CG2 3.82Å; R24-V109 HydrophobicContact CG-CG2 3.51Å; V109-S111 PolarHBondContact O-N 3.38Å; V109-I112 PolarHBondContact O-N 2.79Å; V109-V113 HydrophobicContact CG1-CB 4.45Å; V109-V113 HydrophobicContact CG1-CG2 3.44Å; V109-V113 VanDerWaalsContact CG1-CG2 3.44Å; V109-V113 WeakPolarHBondContact O-CB 3.23Å; V109-V113 WeakPolarHBondContact O-CG2 3.3Å; V109-V113 PolarHBondContact O-N 3.02Å
110	S	67.5	Low	66.8	Low	96 Å²	96	66.9 Å²	66.9	67%	0.671	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-58.9	-26.4	175.6	51.4	0	0	0	0	113.9	P108	P108-S110 PolarHBondContact O-N 2.92Å
111	S	65.7	Low	64.2	Low	79 Å²	79	72.1 Å²	72.1	55%	0.552	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-80.8	-18.7	176.1	66.4	0	0	0	0	113.7	V107 P108 V109	V107-S111 WeakPolarHBondContact CG1-OG 3.29Å; P108-S111 WeakPolarHBondContact O-CB 3.34Å; P108-S111 PolarHBondContact O-N 3.22Å; P108-S111 PolarHBondContact O-OG 2.7Å; V109-S111 PolarHBondContact O-N 3.38Å
112	I	66.7	Low	61.8	Low	27 Å²	27	79.3 Å²	79.3	14%	0.138	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-32.1	-177.6	-54.3	172.9	0	0	0	110.5	I20 E81 L83 V107 V109 L114	I20-I112 HydrophobicContact CD1-CG2 4.06Å; E81-I112 HydrophobicContact CB-CG2 4.11Å; L83-I112 HydrophobicContact CB-CD1 4.47Å; L83-I112 HydrophobicContact CD1-CD1 3.67Å; V107-I112 HydrophobicContact CG1-CD1 4.34Å; V107-I112 HydrophobicContact CG1-CG1 4.37Å; V109-I112 PolarHBondContact O-N 2.79Å; I112-L114 PolarHBondContact O-N 3.12Å
113	V	65.6	Low	58.8	Low	6 Å²	6	82.7 Å²	82.7	4%	0.036	48%	0.481	C	S	.	.	S	Bend	trans	-79	116.3	-179.7	163.1	0	0	0	0	110.6	N17 I20 R21 V109 T115	N17-V113 HydrophobicContact CB-CG1 3.67Å; N17-V113 HydrophobicContact CB-CG2 4.42Å; N17-V113 WeakPolarHBondContact OD1-CG1 3.36Å; I20-V113 HydrophobicContact CB-CG2 4.2Å; I20-V113 HydrophobicContact CD1-CG2 4.37Å; I20-V113 HydrophobicContact CG2-CG2 4.04Å; R21-V113 HydrophobicContact CG-CG2 4.38Å; V109-V113 HydrophobicContact CG1-CB 4.45Å; V109-V113 HydrophobicContact CG1-CG2 3.44Å; V109-V113 VanDerWaalsContact CG1-CG2 3.44Å; V109-V113 WeakPolarHBondContact O-CB 3.23Å; V109-V113 WeakPolarHBondContact O-CG2 3.3Å; V109-V113 PolarHBondContact O-N 3.02Å; V113-T115 HydrophobicContact CG1-CG2 3.95Å; V113-T115 PolarHBondContact O-N 3.07Å
114	L	58.6	Low	55.6	Low	125 Å²	125	81.2 Å²	81.2	65%	0.654	50%	0.497	S	S	*	.			trans	-73.3	93.3	174.4	-65.1	169.1	0	0	0	109.4	T13 N17 I112	T13-L114 HydrophobicContact CG2-CB 4.07Å; T13-L114 WeakPolarHBondContact CG2-O 2.98Å; N17-L114 PolarHBondContact ND2-O 3.47Å; N17-L114 PolarHBondContact OD1-N 3.35Å; I112-L114 PolarHBondContact O-N 3.12Å
115	T	51	Low	52.4	Low	57 Å²	57	86 Å²	86	35%	0.35	53%	0.532	S	S	.	.			trans	-77.8	138.1	178.2	53.7	0	0	0	0	111.4	V113 L117 A118	V113-T115 HydrophobicContact CG1-CG2 3.95Å; V113-T115 PolarHBondContact O-N 3.07Å; T115-L117 PolarHBondContact O-N 3.34Å; T115-A118 PolarHBondContact O-N 3.3Å; T115-A118 VanDerWaalsContact O-N 3.16Å
116	P	42.7	Very low	49.6	Very low	52 Å²	52	91.3 Å²	91.3	34%	0.338	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-57.4	-28.9	173.4	-22.5	31	0	0	0	113.2	L14 A118 V119	L14-P116 HydrophobicContact CD2-CG 4.13Å; P116-A118 PolarHBondContact O-N 2.69Å; P116-V119 WeakPolarHBondContact O-CB 3.33Å; P116-V119 PolarHBondContact O-N 3.31Å
117	L	39.4	Very low	46.9	Very low	120 Å²	120	93.1 Å²	93.1	63%	0.628	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-68.8	-27.6	178.6	-94.7	90.1	0	0	0	113.9	T115 V119 K120 N121	T115-L117 PolarHBondContact O-N 3.34Å; L117-V119 PolarHBondContact O-N 2.95Å; L117-K120 PolarHBondContact O-N 2.93Å; L117-K120 VanDerWaalsContact O-N 3.08Å; L117-N121 PolarHBondContact O-N 3.31Å
118	A	42.7	Very low	44.6	Very low	69 Å²	69	96.2 Å²	96.2	57%	0.57	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-64.6	-19.5	174.9	0	0	0	0	0	112.3	T115 P116	T115-A118 PolarHBondContact O-N 3.3Å; T115-A118 VanDerWaalsContact O-N 3.16Å; P116-A118 PolarHBondContact O-N 2.69Å
119	V	43	Very low	42.1	Very low	115 Å²	115	97.8 Å²	97.8	70%	0.697	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-82.9	-22.3	176.1	-176.1	0	0	0	0	112	P116 L117	P116-V119 WeakPolarHBondContact O-CB 3.33Å; P116-V119 PolarHBondContact O-N 3.31Å; L117-V119 PolarHBondContact O-N 2.95Å
120	K	33.7	Very low	39.7	Very low	172 Å²	172	100.4 Å²	100.4	75%	0.748	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-24.8	-171.8	-159.1	173.9	179.7	-176.6	0	114.6	L117 I122	L117-K120 PolarHBondContact O-N 2.93Å; L117-K120 VanDerWaalsContact O-N 3.08Å; K120-I122 PolarHBondContact O-N 3.46Å
121	N	28.8	Very low	37.6	Very low	121 Å²	121	104.2 Å²	104.2	65%	0.647	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	22.5	-170.2	-78.6	4.7	0	0	0	116	L117 G123	L117-N121 PolarHBondContact O-N 3.31Å; N121-G123 VanDerWaalsContact C-N 3.26Å
122	I	36	Very low	35.6	Very low	165 Å²	165	106 Å²	106	85%	0.846	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-10.2	167.5	-63	179.4	0	0	0	111.8	K120	K120-I122 PolarHBondContact O-N 3.46Å
123	G	28	Very low	33.4	Very low	71 Å²	71	110.3 Å²	110.3	73%	0.732	66%	0.664	S	S	*	*	S	Bend	trans	-126.4	92.7	173.2	0	0	0	0	0	111.8	N121	N121-G123 VanDerWaalsContact C-N 3.26Å
124	G	24.8	Very low	31.4	Very low	69 Å²	69	114.8 Å²	114.8	71%	0.711	70%	0.701	S	S	*	*			trans	166.9	74.9	175.3	0	0	0	0	0	113.9	V126	G124-V126 PolarHBondContact O-N 2.93Å
125	S	23.1	Very low	29.8	Very low	113 Å²	113	114.4 Å²	114.4	79%	0.79	71%	0.709	S	S	*	*			trans	-55.9	117.2	163.7	176.3	0	0	0	0	110.5
126	V	28.2	Very low	28.5	Very low	140 Å²	140	116.1 Å²	116.1	85%	0.848	73%	0.729	S	S	*	*			trans	-144.3	118.8	153.9	179.6	0	0	0	0	109.5	G124	G124-V126 PolarHBondContact O-N 2.93Å
127	K	21.5	Very low	27.9	Very low	181 Å²	181	122 Å²	122	79%	0.787	76%	0.755	S	S	*	*			trans	-65.6	155.1	168.9	-63.2	170.4	174.7	177.4	0	110.6
128	V	25.9	Very low	27.1	Very low	130 Å²	130	119.6 Å²	119.6	79%	0.788	75%	0.753	S	S	*	*				166.4	101.6	129.1	161.1	0	0	0	0	109.3
129	T	20.8	Very low	26.1	Very low	116 Å²	116	126 Å²	126	71%	0.712	77%	0.768	S	S	*	*				34.6	108.8	118.9	-47.5	0	0	0	0	119.6
130	S	20.9	Very low	25.2	Very low	84 Å²	84	131.5 Å²	131.5	59%	0.587	78%	0.776	S	S	*	*			trans	25.6	146.2	131.8	72.7	0	0	0	0	122.7
131	Q	23.1	Very low	25.4	Very low	177 Å²	177	127.7 Å²	127.7	83%	0.827	77%	0.769	S	S	*	*			trans	96.1	106.3	153.7	-55.7	176.3	24.5	0	0	116.2
132	S	23.1	Very low	25.1	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	77%	0.773	S	S	*	*				160.6	134.5	100.8	50.1	0	0	0	0	112.4
133	S	20.6	Very low	24.8	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	77%	0.773	S	S	*	*			trans	-24.6	135.9	155.5	-34.7	0	0	0	0	116
134	A	22.9	Very low	24.5	Very low	99 Å²	99	126.3 Å²	126.3	82%	0.818	77%	0.772	S	S	*	*				169.3	144.8	116.4	0	0	0	0	0	113.6
135	S	25.4	Very low	24.4	Very low	117 Å²	117	131 Å²	131	82%	0.818	78%	0.778	S	S	*	*			trans	100	103.3	146.3	-144.2	0	0	0	0	118.8
136	A	23.4	Very low	24.7	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	79%	0.785	S	S	*	*			trans	-63.2	136.7	159.5	0	0	0	0	0	111.6
137	I	31.7	Very low	24.5	Very low	175 Å²	175	135 Å²	135	90%	0.897	78%	0.784	S	S	*	*			trans	-108.1	124.2	157.1	-72.8	168.5	0	0	0	107.4
138	A	21.8	Very low	24.7	Very low	71 Å²	71	129.8 Å²	129.8	59%	0.587	78%	0.782	S	S	*	*			trans	-112.4	155	-172.5	0	0	0	0	0	110.9
139	K	20.9	Very low	24.6	Very low	202 Å²	202	133.8 Å²	133.8	88%	0.878	78%	0.783	S	S	*	*			trans	70.4	144.3	152.9	-63.2	168.5	-178.5	175.4	0	115.1
140	R	24.2	Very low	24.8	Very low	231 Å²	231	135.9 Å²	135.9	87%	0.872	78%	0.784	S	S	*	*			cis	-171.2	-162.6	21.7	-139.7	-163.3	159.1	179.2	-2.8	109.3
141	P	38.1	Very low	25.1	Very low	93 Å²	93	138 Å²	138	60%	0.604	79%	0.793	S	S	*	*				-132.1	-171.1	-125.8	44.9	-22.8	0	0	0	117.3
142	S	22.4	Very low	25.3	Very low	104 Å²	104	139 Å²	139	73%	0.727	80%	0.796	S	S	*	*			trans	80.1	123.3	144.3	-63	0	0	0	0	121.9
143	T	29.6	Very low	25.3	Very low	139 Å²	139	136.7 Å²	136.7	85%	0.853	79%	0.79	S	S	*	*			trans	-173.2	107.3	131.2	19.2	0	0	0	0	107.6
144	A	22.4	Very low	25.5	Very low	85 Å²	85	135.9 Å²	135.9	70%	0.702	79%	0.79	S	S	*	*				72.3	101.1	92.7	0	0	0	0	0	112.5
145	M	22.5	Very low	25.7	Very low	168 Å²	168	138.8 Å²	138.8	83%	0.828	79%	0.791	S	S	*	*				78.7	112.2	97	-73.8	-106.5	129.5	0	0	113.8
146	L	30.2	Very low	25.7	Very low	180 Å²	180	138 Å²	138	94%	0.942	79%	0.792	S	S	*	*			trans	-163.4	127.8	134.5	-108.9	148.6	0	0	0	112
147	N	24.1	Very low	25.9	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	79%	0.785	S	S	*	*			trans	-77.3	148	175.7	-75.8	-39.3	0	0	0	111.5
148	G	25.8	Very low	26	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	78%	0.783	S	S	*	*			trans	178.6	80	164.7	0	0	0	0	0	108.8
149	R	23.1	Very low	26.2	Very low	215 Å²	215	141.9 Å²	141.9	81%	0.811	79%	0.793	S	S	*	*				66.9	107.7	94.7	-158.9	175.5	-176.7	173.7	1.3	113.3
150	Q	25.2	Very low	26.4	Very low	159 Å²	159	134.6 Å²	134.6	74%	0.743	78%	0.776	S	S	*	*			trans	52.3	105	148.1	-66.5	176.7	3.8	0	0	119
151	V	26.6	Very low	26.6	Very low	129 Å²	129	129.9 Å²	129.9	78%	0.782	76%	0.763	S	S	*	*			trans	-157.7	116.1	136.4	-174.9	0	0	0	0	107.1
152	F	27.7	Very low	26.3	Very low	199 Å²	199	132.4 Å²	132.4	87%	0.873	77%	0.772	S	S	*	*			trans	48.3	116.4	155.8	-70.2	-111.6	0	0	0	118.2
153	G	22.6	Very low	26.7	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	78%	0.779	S	S	*	*			cis	76.6	104.9	40.4	0	0	0	0	0	111.1
154	A	25	Very low	27	Very low	100 Å²	100	134.1 Å²	134.1	83%	0.826	77%	0.769	S	S	*	*			trans	98.6	127.2	161.4	0	0	0	0	0	119.2
155	L	26.6	Very low	27.5	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	77%	0.766	S	S	*	*			trans	91.8	44.3	165.3	-53	166.8	0	0	0	117.7
156	A	26.5	Very low	28.5	Very low	101 Å²	101	132.6 Å²	132.6	84%	0.835	76%	0.761	S	S	*	*			trans	-97.2	77.2	135.6	0	0	0	0	0	108.1
157	S	26.7	Very low	29.3	Very low	90 Å²	90	129.7 Å²	129.7	63%	0.629	75%	0.746	S	S	*	*			trans	-162.4	104.6	167.4	-67.6	0	0	0	0	107.5
158	N	33.4	Very low	30.5	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	74%	0.74	S	S	*	*			trans	-176	64.1	142.4	-87.4	-10.6	0	0	0	106.6	G160	N158-G160 PolarHBondContact O-N 2.86Å; N158-G160 VanDerWaalsContact O-N 3.16Å
159	E	26.5	Very low	32.1	Very low	172 Å²	172	132.8 Å²	132.8	80%	0.804	74%	0.735	S	S	*	*			trans	-77.3	65.5	146.3	-69.9	-168.5	158.6	0	0	106.9
160	G	25.1	Very low	34.9	Very low	49 Å²	49	127.6 Å²	127.6	51%	0.505	72%	0.716	S	S	.	*			trans	-86.1	127.4	155.5	0	0	0	0	0	105.3	N158 N162	N158-G160 PolarHBondContact O-N 2.86Å; N158-G160 VanDerWaalsContact O-N 3.16Å; G160-N162 PolarHBondContact O-N 3.42Å
161	Q	28.6	Very low	37.7	Very low	131 Å²	131	128.4 Å²	128.4	61%	0.612	72%	0.719	S	S	*	*			trans	-60.4	70.8	172.7	-63.9	176.8	-26.4	0	0	110.2	Q163	Q161-Q163 VanDerWaalsContact C-N 3.26Å; Q161-Q163 PolarHBondContact O-N 2.74Å; Q161-Q163 VanDerWaalsContact O-N 3.08Å
162	N	31	Very low	40.7	Very low	146 Å²	146	123 Å²	123	78%	0.781	69%	0.686	S	S	*	*			trans	-64.5	106.4	144.3	-80.1	-25.2	0	0	0	103.3	G160 S164	G160-N162 PolarHBondContact O-N 3.42Å; N162-S164 PolarHBondContact O-N 3.3Å
163	Q	31.1	Very low	43.7	Very low	189 Å²	189	116.2 Å²	116.2	88%	0.883	66%	0.663	S	S	*	*			trans	-53.7	73.7	142.8	-74.6	165.8	-5.4	0	0	106.3	Q161 A165	Q161-Q163 VanDerWaalsContact C-N 3.26Å; Q161-Q163 PolarHBondContact O-N 2.74Å; Q161-Q163 VanDerWaalsContact O-N 3.08Å; Q163-A165 PolarHBondContact O-N 3.4Å
164	S	35.4	Very low	47.1	Very low	91 Å²	91	116.3 Å²	116.3	64%	0.636	66%	0.657	S	S	*	*			trans	-57.7	96.7	152.6	49.9	0	0	0	0	101.7	N162 I166	N162-S164 PolarHBondContact O-N 3.3Å; S164-I166 PolarHBondContact O-N 3.42Å
165	A	34.6	Very low	50.4	Low	79 Å²	79	114.2 Å²	114.2	65%	0.653	64%	0.64	S	S	*	*			trans	-38.4	107	161.6	0	0	0	0	0	104.3	Q163 L167	Q163-A165 PolarHBondContact O-N 3.4Å; A165-L167 PolarHBondContact O-N 2.95Å
166	I	42.9	Very low	53.7	Low	141 Å²	141	108.8 Å²	108.8	72%	0.723	61%	0.611	S	S	*	*			trans	-55.8	102.5	168.6	-66.8	169.3	0	0	0	100.3	S164 N168	S164-I166 PolarHBondContact O-N 3.42Å; I166-N168 PolarHBondContact O-N 2.7Å
167	L	47.2	Very low	56.9	Low	119 Å²	119	106.4 Å²	106.4	62%	0.623	58%	0.583	S	S	*	*			trans	-55.6	102	177.9	-72.5	171.5	0	0	0	103.2	A165 Y169	A165-L167 PolarHBondContact O-N 2.95Å; L167-Y169 HydrophobicContact CB-CD2 4.05Å; L167-Y169 HydrophobicContact CB-CE2 4.42Å; L167-Y169 HydrophobicContact CD1-CE2 4.45Å; L167-Y169 PolarHBondContact O-N 3.12Å
168	N	49.3	Very low	60.3	Low	131 Å²	131	103.8 Å²	103.8	70%	0.701	56%	0.562	S	S	*	*			trans	-71.7	75.7	-179.8	-85.9	-24.1	0	0	0	105	I166 R170	I166-N168 PolarHBondContact O-N 2.7Å; N168-R170 PolarHBondContact O-N 3.28Å
169	Y	59.8	Low	63.3	Low	162 Å²	162	99.8 Å²	99.8	64%	0.635	54%	0.541	S	S	*	.			trans	-64.5	103.4	172.2	-106.6	-85.2	0	0	0	105.7	L167 E171 R590	L167-Y169 HydrophobicContact CB-CD2 4.05Å; L167-Y169 HydrophobicContact CB-CE2 4.42Å; L167-Y169 HydrophobicContact CD1-CE2 4.45Å; L167-Y169 PolarHBondContact O-N 3.12Å; Y169-E171 PolarHBondContact O-N 3.25Å; Y169-R590 HydrophobicContact CD1-CB 4.49Å
170	R	81.5	Confident	66.7	Low	106 Å²	106	93.1 Å²	93.1	40%	0.4	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-57.6	117.2	168.5	176.2	179.8	171.2	174.8	3.2	107.8	N168 L172 E176 R590	N168-R170 PolarHBondContact O-N 3.28Å; R170-L172 PolarHBondContact O-N 3.33Å; R170-E176 IonicContact CZ-OE1 3.76Å; R170-E176 IonicContact NE-OE1 2.91Å; R170-E176 IonicContact NH2-OE1 2.85Å; R170-E176 PolarHBondContact NH2-OE1 3.36Å; R170-R590 WeakPolarHBondContact O-CG 3.36Å; R170-R590 PolarHBondContact O-NH1 3.29Å
171	E	83.4	Confident	70.2	Confident	175 Å²	175	91.6 Å²	91.6	82%	0.818	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-69.3	128.2	167.8	-68.1	-170.1	167.2	0	0	108.3	Y169	Y169-E171 PolarHBondContact O-N 3.25Å
172	L	89.4	Confident	73.5	Confident	17 Å²	17	86.8 Å²	86.8	9%	0.089	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-88.5	129.6	175.7	-62.4	174.8	0	0	0	108.3	R170 I177 F180 M586 A589 R590	R170-L172 PolarHBondContact O-N 3.33Å; L172-I177 HydrophobicContact CB-CD1 4.38Å; L172-I177 HydrophobicContact CB-CG1 4.09Å; L172-F180 HydrophobicContact CD1-CD2 4.5Å; L172-F180 HydrophobicContact CD1-CE2 3.89Å; L172-F180 HydrophobicContact CD2-CE2 4.19Å; L172-M586 HydrophobicContact CD1-CB 3.74Å; L172-M586 HydrophobicContact CD1-CG 3.91Å; L172-A589 HydrophobicContact CD2-CB 4.07Å; L172-R590 HydrophobicContact CD1-CG 3.87Å; L172-R590 HydrophobicContact CD2-CG 4.25Å; L172-R590 HydrophobicContact CG-CG 3.84Å
173	S	91.4	Very high	76.6	Confident	56 Å²	56	84.2 Å²	84.2	39%	0.392	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-65.2	159.1	171.6	68	0	0	0	0	111.5	A175 E176 I177	S173-A175 PolarHBondContact O-N 3.43Å; S173-E176 VanDerWaalsContact CB-OE2 3.29Å; S173-E176 WeakPolarHBondContact CB-OE2 3.35Å; S173-E176 PolarHBondContact N-OE2 2.91Å; S173-E176 PolarHBondContact O-N 3.09Å; S173-E176 VanDerWaalsContact OG-CG 3.26Å; S173-E176 WeakPolarHBondContact OG-CG 3.38Å; S173-E176 PolarHBondContact OG-N 3.06Å; S173-E176 PolarHBondContact OG-OE2 2.79Å; S173-I177 WeakPolarHBondContact O-CG1 3.11Å; S173-I177 PolarHBondContact O-N 3.08Å
174	A	93.3	Very high	79.8	Confident	69 Å²	69	75.5 Å²	75.5	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-35.6	174.5	0	0	0	0	0	112.1	I177 N178	A174-I177 PolarHBondContact O-N 2.91Å; A174-N178 WeakPolarHBondContact O-CB 3.28Å; A174-N178 PolarHBondContact O-N 3.3Å; A174-N178 PolarHBondContact O-ND2 3.17Å; A174-N178 PolarHBondContact O-OD1 2.73Å
175	A	94.8	Very high	82.7	Confident	57 Å²	57	71.2 Å²	71.2	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-65	-42	177.3	0	0	0	0	0	112.1	S173 N178 N179	S173-A175 PolarHBondContact O-N 3.43Å; A175-N178 PolarHBondContact O-N 3.43Å; A175-N179 WeakPolarHBondContact O-CB 3.44Å; A175-N179 VanDerWaalsContact O-CG 3.23Å; A175-N179 PolarHBondContact O-N 3.4Å; A175-N179 PolarHBondContact O-ND2 2.84Å
176	E	95.2	Very high	85.7	Confident	45 Å²	45	67.4 Å²	67.4	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-46	174.6	-72.3	165.2	115	0	0	111.5	R170 S173 N178 N179 F180	R170-E176 IonicContact CZ-OE1 3.76Å; R170-E176 IonicContact NE-OE1 2.91Å; R170-E176 IonicContact NH2-OE1 2.85Å; R170-E176 PolarHBondContact NH2-OE1 3.36Å; S173-E176 VanDerWaalsContact CB-OE2 3.29Å; S173-E176 WeakPolarHBondContact CB-OE2 3.35Å; S173-E176 PolarHBondContact N-OE2 2.91Å; S173-E176 PolarHBondContact O-N 3.09Å; S173-E176 VanDerWaalsContact OG-CG 3.26Å; S173-E176 WeakPolarHBondContact OG-CG 3.38Å; S173-E176 PolarHBondContact OG-N 3.06Å; S173-E176 PolarHBondContact OG-OE2 2.79Å; E176-N178 VanDerWaalsContact C-N 3.29Å; E176-N178 PolarHBondContact O-N 3.36Å; E176-N179 PolarHBondContact O-N 2.86Å; E176-N179 VanDerWaalsContact O-N 3.15Å; E176-F180 HydrophobicContact CB-CE2 4.06Å; E176-F180 WeakPolarHBondContact O-CD2 3.46Å; E176-F180 WeakPolarHBondContact O-CG 3.2Å; E176-F180 PolarHBondContact O-N 3.01Å
177	I	94.1	Very high	88.3	Confident	50 Å²	50	66.1 Å²	66.1	26%	0.256	34%	0.338	S	S	.	.	H	α-helix	trans	-55	-47.2	174.9	-71.8	168.8	0	0	0	110.9	L172 S173 A174 N179 F180 W181 M586	L172-I177 HydrophobicContact CB-CD1 4.38Å; L172-I177 HydrophobicContact CB-CG1 4.09Å; S173-I177 WeakPolarHBondContact O-CG1 3.11Å; S173-I177 PolarHBondContact O-N 3.08Å; A174-I177 PolarHBondContact O-N 2.91Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 3.41Å; I177-F180 PolarHBondContact O-N 3.41Å; I177-W181 VanDerWaalsContact O-CD1 3.28Å; I177-W181 PolarHBondContact O-N 2.96Å; I177-M586 HydrophobicContact CB-CE 4.12Å; I177-M586 HydrophobicContact CG1-CE 4.09Å; I177-M586 HydrophobicContact CG2-CE 3.68Å
178	N	97.2	Very high	90.6	Very high	36 Å²	36	63.1 Å²	63.1	19%	0.193	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-43.1	178.4	-68.6	-16.6	0	0	0	111.7	A174 A175 E176 F180 W181 K182 H210 A213	A174-N178 WeakPolarHBondContact O-CB 3.28Å; A174-N178 PolarHBondContact O-N 3.3Å; A174-N178 PolarHBondContact O-ND2 3.17Å; A174-N178 PolarHBondContact O-OD1 2.73Å; A175-N178 PolarHBondContact O-N 3.43Å; E176-N178 VanDerWaalsContact C-N 3.29Å; E176-N178 PolarHBondContact O-N 3.36Å; N178-F180 VanDerWaalsContact C-N 3.34Å; N178-F180 PolarHBondContact O-N 2.91Å; N178-W181 PolarHBondContact O-N 2.99Å; N178-K182 PolarHBondContact O-N 3.04Å; N178-K182 VanDerWaalsContact O-N 3.13Å; N178-H210 WeakPolarHBondContact ND2-CB 3.33Å; N178-A213 HydrophobicContact CB-CB 4.27Å; N178-A213 WeakPolarHBondContact OD1-CB 3.34Å
179	N	97.3	Very high	92.9	Very high	74 Å²	74	57 Å²	57	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-36.2	177.9	-72.3	-18.3	0	0	0	112.2	A175 E176 I177 W181 K182 Q183 S209	A175-N179 WeakPolarHBondContact O-CB 3.44Å; A175-N179 VanDerWaalsContact O-CG 3.23Å; A175-N179 PolarHBondContact O-N 3.4Å; A175-N179 PolarHBondContact O-ND2 2.84Å; E176-N179 PolarHBondContact O-N 2.86Å; E176-N179 VanDerWaalsContact O-N 3.15Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 3.41Å; N179-W181 VanDerWaalsContact C-N 3.34Å; N179-W181 PolarHBondContact O-N 2.97Å; N179-K182 PolarHBondContact O-N 3.38Å; N179-Q183 WeakPolarHBondContact O-CB 2.99Å; N179-Q183 VanDerWaalsContact O-CG 3.27Å; N179-Q183 WeakPolarHBondContact O-CG 3.46Å; N179-Q183 PolarHBondContact O-N 3.41Å; N179-S209 WeakPolarHBondContact OD1-CB 3.45Å; N179-S209 PolarHBondContact OD1-OG 3.48Å
180	F	97.5	Very high	94.6	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-42.2	174.4	-65.7	-49.7	0	0	0	112.3	L172 E176 I177 N178 Q183 V184 V582 R585 M586 A589	L172-F180 HydrophobicContact CD1-CD2 4.5Å; L172-F180 HydrophobicContact CD1-CE2 3.89Å; L172-F180 HydrophobicContact CD2-CE2 4.19Å; E176-F180 HydrophobicContact CB-CE2 4.06Å; E176-F180 WeakPolarHBondContact O-CD2 3.46Å; E176-F180 WeakPolarHBondContact O-CG 3.2Å; E176-F180 PolarHBondContact O-N 3.01Å; I177-F180 PolarHBondContact O-N 3.41Å; N178-F180 VanDerWaalsContact C-N 3.34Å; N178-F180 PolarHBondContact O-N 2.91Å; F180-Q183 PolarHBondContact O-N 2.87Å; F180-V184 WeakPolarHBondContact O-CG2 3.03Å; F180-V184 PolarHBondContact O-N 3.16Å; F180-V184 VanDerWaalsContact O-N 3.09Å; F180-V582 HydrophobicContact CB-CG1 4.3Å; F180-R585 HydrophobicContact CD1-CB 4.22Å; F180-R585 HydrophobicContact CD1-CG 3.55Å; F180-R585 HydrophobicContact CE1-CG 3.92Å; F180-R585 HydrophobicContact CG-CG 4.39Å; F180-M586 HydrophobicContact CB-CE 4.36Å; F180-M586 HydrophobicContact CD2-CE 4.36Å; F180-M586 HydrophobicContact CD2-CG 3.69Å; F180-M586 HydrophobicContact CE2-CG 4.27Å; F180-M586 HydrophobicContact CG-CG 4.34Å; F180-A589 HydrophobicContact CE1-CB 4.16Å; F180-A589 HydrophobicContact CE2-CB 4.14Å; F180-A589 HydrophobicContact CZ-CB 3.43Å; F180-A589 VanDerWaalsContact CZ-CB 3.43Å
181	W	98.2	Very high	95.3	Very high	18 Å²	18	51.5 Å²	51.5	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-49.3	174.1	-79.2	104.7	0	0	0	112.1	I177 N178 N179 Q183 C185 V212 A213 A216 T217 L574 L578 V582	I177-W181 VanDerWaalsContact O-CD1 3.28Å; I177-W181 PolarHBondContact O-N 2.96Å; N178-W181 PolarHBondContact O-N 2.99Å; N179-W181 VanDerWaalsContact C-N 3.34Å; N179-W181 PolarHBondContact O-N 2.97Å; W181-Q183 PolarHBondContact O-N 2.88Å; W181-C185 WeakPolarHBondContact O-CB 3.43Å; W181-C185 PolarHBondContact O-N 2.82Å; W181-C185 VanDerWaalsContact O-N 3.13Å; W181-C185 PolarHBondContact O-SG 3.07Å; W181-V212 HydrophobicContact CB-CG1 4.17Å; W181-A213 HydrophobicContact CB-CB 4.09Å; W181-A213 HydrophobicContact CG-CB 3.91Å; W181-A216 HydrophobicContact CD2-CB 3.87Å; W181-A216 HydrophobicContact CE3-CB 3.49Å; W181-A216 VanDerWaalsContact CE3-CB 3.49Å; W181-A216 HydrophobicContact CH2-CB 3.8Å; W181-A216 HydrophobicContact CZ2-CB 4.13Å; W181-A216 HydrophobicContact CZ3-CB 3.47Å; W181-A216 VanDerWaalsContact CZ3-CB 3.47Å; W181-T217 HydrophobicContact CZ2-CG2 4.1Å; W181-L574 HydrophobicContact CH2-CD2 4.21Å; W181-L574 HydrophobicContact CZ3-CD1 4.26Å; W181-L574 HydrophobicContact CZ3-CD2 4.45Å; W181-L578 HydrophobicContact CE3-CD2 4.38Å; W181-L578 HydrophobicContact CE3-CG 4.47Å; W181-L578 HydrophobicContact CZ3-CD2 3.93Å; W181-L578 HydrophobicContact CZ3-CG 3.96Å; W181-V582 HydrophobicContact CD2-CB 4.46Å; W181-V582 HydrophobicContact CD2-CG1 3.97Å; W181-V582 HydrophobicContact CD2-CG2 3.97Å; W181-V582 HydrophobicContact CE3-CB 4.48Å; W181-V582 HydrophobicContact CE3-CG1 4.47Å; W181-V582 HydrophobicContact CE3-CG2 3.71Å; W181-V582 HydrophobicContact CG-CG1 4.23Å; W181-V582 HydrophobicContact CG-CG2 4.5Å; W181-V582 HydrophobicContact CZ2-CG1 4.22Å; W181-V582 HydrophobicContact CZ3-CG2 4.01Å
182	K	98	Very high	95.9	Very high	30 Å²	30	44.1 Å²	44.1	13%	0.13	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-50	177.5	177.7	177.3	173.1	174.5	0	111.4	N178 N179 C185 L186 E204 I207 V212	N178-K182 PolarHBondContact O-N 3.04Å; N178-K182 VanDerWaalsContact O-N 3.13Å; N179-K182 PolarHBondContact O-N 3.38Å; K182-C185 WeakPolarHBondContact O-CB 3.38Å; K182-C185 PolarHBondContact O-N 3.45Å; K182-L186 HydrophobicContact CG-CD1 3.85Å; K182-L186 HydrophobicContact CG-CG 4.44Å; K182-L186 WeakPolarHBondContact O-CG 3.49Å; K182-L186 PolarHBondContact O-N 2.94Å; K182-E204 WeakPolarHBondContact CE-O 3.34Å; K182-E204 PolarHBondContact NZ-O 3.22Å; K182-I207 HydrophobicContact CD-CG2 4.14Å; K182-I207 WeakPolarHBondContact CE-O 2.86Å; K182-I207 HydrophobicContact CG-CG2 4.2Å; K182-I207 PolarHBondContact NZ-O 3.48Å; K182-V212 HydrophobicContact CB-CG2 4.32Å
183	Q	96.7	Very high	96.1	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-46.1	-175.5	-72.5	-62.3	-18.2	0	0	112.6	N179 F180 W181 C185 L186 E187	N179-Q183 WeakPolarHBondContact O-CB 2.99Å; N179-Q183 VanDerWaalsContact O-CG 3.27Å; N179-Q183 WeakPolarHBondContact O-CG 3.46Å; N179-Q183 PolarHBondContact O-N 3.41Å; F180-Q183 PolarHBondContact O-N 2.87Å; W181-Q183 PolarHBondContact O-N 2.88Å; Q183-C185 VanDerWaalsContact C-N 3.3Å; Q183-C185 PolarHBondContact O-N 3.43Å; Q183-L186 PolarHBondContact O-N 3.32Å; Q183-E187 WeakPolarHBondContact O-CB 3.44Å; Q183-E187 PolarHBondContact O-N 3.2Å
184	V	97.8	Very high	96.2	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-36.2	178.5	177.9	0	0	0	0	111.3	F180 R188 L578 V582	F180-V184 WeakPolarHBondContact O-CG2 3.03Å; F180-V184 PolarHBondContact O-N 3.16Å; F180-V184 VanDerWaalsContact O-N 3.09Å; V184-R188 WeakPolarHBondContact O-CG 3.49Å; V184-R188 PolarHBondContact O-N 2.97Å; V184-R188 VanDerWaalsContact O-N 3.13Å; V184-L578 HydrophobicContact CB-CD1 4.41Å; V184-L578 HydrophobicContact CG1-CD1 3.59Å; V184-V582 HydrophobicContact CB-CG2 3.8Å; V184-V582 HydrophobicContact CG1-CG2 4.06Å; V184-V582 HydrophobicContact CG2-CG2 3.76Å
185	C	98	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-46.6	174.1	-70.9	0	0	0	0	111.7	W181 K182 Q183 R188 L189 V212 I494 L498	W181-C185 WeakPolarHBondContact O-CB 3.43Å; W181-C185 PolarHBondContact O-N 2.82Å; W181-C185 VanDerWaalsContact O-N 3.13Å; W181-C185 PolarHBondContact O-SG 3.07Å; K182-C185 WeakPolarHBondContact O-CB 3.38Å; K182-C185 PolarHBondContact O-N 3.45Å; Q183-C185 VanDerWaalsContact C-N 3.3Å; Q183-C185 PolarHBondContact O-N 3.43Å; C185-R188 PolarHBondContact O-N 2.89Å; C185-L189 PolarHBondContact O-N 2.9Å; C185-V212 HydrophobicContact CB-CG1 4.42Å; C185-I494 HydrophobicContact CB-CG2 3.71Å; C185-L498 HydrophobicContact CB-CD2 4.01Å
186	L	97.3	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-40	179.5	-66.4	172.4	0	0	0	112.4	K182 Q183 R188 L189 R190 L198 E204 I207 L498	K182-L186 HydrophobicContact CG-CD1 3.85Å; K182-L186 HydrophobicContact CG-CG 4.44Å; K182-L186 WeakPolarHBondContact O-CG 3.49Å; K182-L186 PolarHBondContact O-N 2.94Å; Q183-L186 PolarHBondContact O-N 3.32Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 PolarHBondContact O-N 3.48Å; L186-L189 PolarHBondContact O-N 2.98Å; L186-R190 WeakPolarHBondContact O-CB 3.49Å; L186-R190 VanDerWaalsContact O-CG 3.31Å; L186-R190 WeakPolarHBondContact O-CG 3.45Å; L186-R190 PolarHBondContact O-N 3.24Å; L186-L198 HydrophobicContact CB-CD1 4.36Å; L186-L198 HydrophobicContact CD2-CD1 3.7Å; L186-E204 HydrophobicContact CD1-CB 4.44Å; L186-E204 HydrophobicContact CD1-CG 4.05Å; L186-E204 HydrophobicContact CD2-CG 4.37Å; L186-I207 HydrophobicContact CD2-CD1 3.68Å; L186-L498 HydrophobicContact CD2-CD1 4.49Å
187	E	96.2	Very high	95.2	Very high	114 Å²	114	49.6 Å²	49.6	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-41.1	174.1	-174.8	-179.3	177.9	0	0	112.1	Q183 R190 T191	Q183-E187 WeakPolarHBondContact O-CB 3.44Å; Q183-E187 PolarHBondContact O-N 3.2Å; E187-R190 WeakPolarHBondContact O-CB 3.44Å; E187-R190 PolarHBondContact O-N 3.38Å; E187-T191 PolarHBondContact O-N 3.43Å; E187-T191 PolarHBondContact O-OG1 2.94Å
188	R	96.7	Very high	95	Very high	56 Å²	56	47.2 Å²	47.2	21%	0.211	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-37.2	175.7	-73.2	-179.4	177	-139.5	-5.4	112.8	V184 C185 L186 T191 F192 I494 G576 G577 L578 S581	V184-R188 WeakPolarHBondContact O-CG 3.49Å; V184-R188 PolarHBondContact O-N 2.97Å; V184-R188 VanDerWaalsContact O-N 3.13Å; C185-R188 PolarHBondContact O-N 2.89Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 PolarHBondContact O-N 3.48Å; R188-T191 WeakPolarHBondContact O-CB 3.48Å; R188-T191 PolarHBondContact O-N 2.86Å; R188-F192 PolarHBondContact O-N 2.98Å; R188-I494 HydrophobicContact CB-CD1 3.45Å; R188-I494 VanDerWaalsContact CB-CD1 3.45Å; R188-I494 HydrophobicContact CG-CD1 4.38Å; R188-G576 PolarHBondContact NH1-O 3.18Å; R188-G576 PolarHBondContact NH2-O 3.23Å; R188-G577 PolarHBondContact NH2-O 3.43Å; R188-G577 VanDerWaalsContact NH2-O 3.07Å; R188-L578 VanDerWaalsContact NH2-CA 3.34Å; R188-L578 VanDerWaalsContact NH2-N 3.15Å; R188-S581 PolarHBondContact NH2-OG 3.32Å
189	L	96.5	Very high	94.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-44.4	172.2	-76.6	175.9	0	0	0	111.8	C185 L186 T191 F192 F193 L198 M292 I296 A491 I494 L498	C185-L189 PolarHBondContact O-N 2.9Å; L186-L189 PolarHBondContact O-N 2.98Å; L189-T191 VanDerWaalsContact C-N 3.27Å; L189-T191 PolarHBondContact O-N 2.99Å; L189-F192 WeakPolarHBondContact O-CB 3.25Å; L189-F192 PolarHBondContact O-N 3.06Å; L189-F192 VanDerWaalsContact O-N 3.08Å; L189-F193 HydrophobicContact CD2-CE2 4.48Å; L189-F193 WeakPolarHBondContact O-CD2 3.22Å; L189-F193 PolarHBondContact O-N 3.46Å; L189-L198 HydrophobicContact CB-CD1 4.15Å; L189-L198 HydrophobicContact CB-CD2 4.31Å; L189-M292 HydrophobicContact CD1-SD 4.12Å; L189-I296 HydrophobicContact CD2-CD1 4.2Å; L189-A491 HydrophobicContact CD2-CB 4.36Å; L189-I494 HydrophobicContact CD1-CG2 3.87Å; L189-I494 HydrophobicContact CD2-CB 4.35Å; L189-I494 HydrophobicContact CD2-CG2 4.16Å; L189-I494 HydrophobicContact CG-CB 4.39Å; L189-I494 HydrophobicContact CG-CG2 3.69Å; L189-L498 HydrophobicContact CD1-CD1 3.57Å
190	R	96.2	Very high	93.9	Very high	50 Å²	50	51.9 Å²	51.9	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-44.4	173.3	-76	174.5	-168.8	126.5	-0.6	111.7	L186 E187 F192 F193 S194 S195 D196 L198 E204	L186-R190 WeakPolarHBondContact O-CB 3.49Å; L186-R190 VanDerWaalsContact O-CG 3.31Å; L186-R190 WeakPolarHBondContact O-CG 3.45Å; L186-R190 PolarHBondContact O-N 3.24Å; E187-R190 WeakPolarHBondContact O-CB 3.44Å; E187-R190 PolarHBondContact O-N 3.38Å; R190-F192 PolarHBondContact O-N 3.24Å; R190-F193 CarbonylContact O-C 3.51Å; R190-F193 PolarHBondContact O-N 3.2Å; R190-S194 WeakPolarHBondContact O-CA 3.39Å; R190-S194 PolarHBondContact O-N 2.9Å; R190-S195 CarbonylContact C-O 3.44Å; R190-S195 VanDerWaalsContact CA-O 3.32Å; R190-S195 WeakPolarHBondContact CA-O 3.22Å; R190-S195 WeakPolarHBondContact CB-O 3.49Å; R190-S195 WeakPolarHBondContact CG-O 3.4Å; R190-S195 PolarHBondContact O-N 3Å; R190-S195 VanDerWaalsContact O-N 3.09Å; R190-D196 WeakPolarHBondContact CD-O 3.43Å; R190-D196 PolarHBondContact NE-O 2.76Å; R190-L198 HydrophobicContact CG-CD1 4.09Å; R190-L198 HydrophobicContact CG-CD2 4.02Å; R190-L198 HydrophobicContact CG-CG 3.73Å; R190-E204 IonicContact CZ-OE1 2.94Å; R190-E204 IonicContact NE-OE1 2.79Å; R190-E204 IonicContact NH2-OE1 2.98Å; R190-E204 PolarHBondContact NH2-OE1 3.34Å; R190-E204 IonicContact NH2-OE2 3.24Å; R190-E204 PolarHBondContact NH2-OE2 3.36Å
191	T	95.2	Very high	93.4	Very high	104 Å²	104	52 Å²	52	64%	0.638	30%	0.301	S	S	*	.	H	α-helix	trans	-60.1	-44.6	175.1	-55.4	0	0	0	0	111.8	E187 R188 L189 S194	E187-T191 PolarHBondContact O-N 3.43Å; E187-T191 PolarHBondContact O-OG1 2.94Å; R188-T191 WeakPolarHBondContact O-CB 3.48Å; R188-T191 PolarHBondContact O-N 2.86Å; L189-T191 VanDerWaalsContact C-N 3.27Å; L189-T191 PolarHBondContact O-N 2.99Å; T191-S194 PolarHBondContact O-N 3.24Å
192	F	96	Very high	93.2	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.088	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-43.2	177	177.3	-93	0	0	0	112.4	R188 L189 R190 S194 I296 R299 A300 L487 A491	R188-F192 PolarHBondContact O-N 2.98Å; L189-F192 WeakPolarHBondContact O-CB 3.25Å; L189-F192 PolarHBondContact O-N 3.06Å; L189-F192 VanDerWaalsContact O-N 3.08Å; R190-F192 PolarHBondContact O-N 3.24Å; F192-S194 VanDerWaalsContact C-N 3.27Å; F192-S194 PolarHBondContact O-N 2.87Å; F192-I296 HydrophobicContact CE1-CB 4.32Å; F192-I296 HydrophobicContact CE1-CG1 4.39Å; F192-I296 HydrophobicContact CE1-CG2 4Å; F192-I296 HydrophobicContact CZ-CG2 4.04Å; F192-R299 HydrophobicContact CD1-CG 4.26Å; F192-R299 HydrophobicContact CE1-CB 3.87Å; F192-R299 HydrophobicContact CE1-CG 3.65Å; F192-R299 HydrophobicContact CZ-CB 4.36Å; F192-R299 HydrophobicContact CZ-CG 4.09Å; F192-A300 HydrophobicContact CZ-CB 4.38Å; F192-L487 HydrophobicContact CD2-CB 4.13Å; F192-L487 HydrophobicContact CE2-CB 4.03Å; F192-A491 HydrophobicContact CB-CB 4.45Å; F192-A491 HydrophobicContact CD1-CB 4.04Å; F192-A491 HydrophobicContact CD2-CB 3.74Å; F192-A491 HydrophobicContact CE1-CB 4.21Å; F192-A491 HydrophobicContact CE2-CB 3.91Å; F192-A491 HydrophobicContact CG-CB 3.8Å; F192-A491 HydrophobicContact CZ-CB 4.15Å
193	F	95.3	Very high	92.8	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-77.9	-10.1	176.6	-71.8	-67.2	0	0	0	113.9	L189 R190 S195 L198 I201 A295 I296 R299	L189-F193 HydrophobicContact CD2-CE2 4.48Å; L189-F193 WeakPolarHBondContact O-CD2 3.22Å; L189-F193 PolarHBondContact O-N 3.46Å; R190-F193 CarbonylContact O-C 3.51Å; R190-F193 PolarHBondContact O-N 3.2Å; F193-S195 PolarHBondContact O-N 2.88Å; F193-L198 HydrophobicContact CD2-CD2 3.77Å; F193-L198 HydrophobicContact CE2-CD2 4.4Å; F193-I201 HydrophobicContact CB-CD1 4.26Å; F193-I201 HydrophobicContact CD1-CD1 3.7Å; F193-I201 HydrophobicContact CD2-CD1 3.74Å; F193-I201 HydrophobicContact CE1-CD1 3.89Å; F193-I201 HydrophobicContact CE2-CD1 3.93Å; F193-I201 HydrophobicContact CE2-CG2 4.03Å; F193-I201 HydrophobicContact CG-CD1 3.62Å; F193-I201 HydrophobicContact CZ-CD1 3.99Å; F193-I201 HydrophobicContact CZ-CG2 4.01Å; F193-A295 HydrophobicContact CE1-CB 4Å; F193-A295 HydrophobicContact CZ-CB 4.02Å; F193-I296 HydrophobicContact CE2-CG1 4.15Å; F193-I296 HydrophobicContact CZ-CB 4.46Å; F193-I296 HydrophobicContact CZ-CG1 3.66Å; F193-R299 HydrophobicContact CD1-CB 4.24Å; F193-R299 HydrophobicContact CD1-CG 4.15Å; F193-R299 HydrophobicContact CE1-CB 4.04Å; F193-R299 HydrophobicContact CE1-CG 4.4Å
194	S	91.9	Very high	92.6	Very high	79 Å²	79	52.6 Å²	52.6	55%	0.552	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.4	-173	-43.6	0	0	0	0	112.2	R190 T191 F192 R299	R190-S194 WeakPolarHBondContact O-CA 3.39Å; R190-S194 PolarHBondContact O-N 2.9Å; T191-S194 PolarHBondContact O-N 3.24Å; F192-S194 VanDerWaalsContact C-N 3.27Å; F192-S194 PolarHBondContact O-N 2.87Å; S194-R299 PolarHBondContact OG-NH2 2.74Å
195	S	88.3	Confident	92.3	Very high	47 Å²	47	56.3 Å²	56.3	33%	0.329	33%	0.334	S	S	.	.			trans	-133.2	133.6	-179	179.2	0	0	0	0	109.9	R190 F193 S197	R190-S195 CarbonylContact C-O 3.44Å; R190-S195 VanDerWaalsContact CA-O 3.32Å; R190-S195 WeakPolarHBondContact CA-O 3.22Å; R190-S195 WeakPolarHBondContact CB-O 3.49Å; R190-S195 WeakPolarHBondContact CG-O 3.4Å; R190-S195 PolarHBondContact O-N 3Å; R190-S195 VanDerWaalsContact O-N 3.09Å; F193-S195 PolarHBondContact O-N 2.88Å; S195-S197 WeakPolarHBondContact CB-O 3.46Å; S195-S197 PolarHBondContact O-N 3.24Å; S195-S197 PolarHBondContact OG-N 3.4Å; S195-S197 PolarHBondContact OG-O 3.48Å
196	D	86.4	Confident	91.9	Very high	160 Å²	160	61.6 Å²	61.6	86%	0.856	36%	0.358	S	S	*	.	S	Bend	trans	-69.7	-19.3	175	-63.1	-42.6	0	0	0	112.4	R190	R190-D196 WeakPolarHBondContact CD-O 3.43Å; R190-D196 PolarHBondContact NE-O 2.76Å
197	S	88	Confident	91.9	Very high	53 Å²	53	61.7 Å²	61.7	37%	0.371	36%	0.359	S	S	.	.			trans	-119.4	135.4	-179.9	-175.7	0	0	0	0	111.1	S195 V199	S195-S197 WeakPolarHBondContact CB-O 3.46Å; S195-S197 PolarHBondContact O-N 3.24Å; S195-S197 PolarHBondContact OG-N 3.4Å; S195-S197 PolarHBondContact OG-O 3.48Å; S197-V199 VanDerWaalsContact C-N 3.31Å; S197-V199 VanDerWaalsContact OG-CB 3.29Å; S197-V199 WeakPolarHBondContact OG-CB 3.32Å; S197-V199 WeakPolarHBondContact OG-CG2 3.48Å; S197-V199 PolarHBondContact OG-N 3.38Å
198	L	90.3	Very high	91.9	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	35%	0.345	C	S	.	.			trans	-94.3	10.3	171.4	-63.9	173.3	0	0	0	112.1	L186 L189 R190 F193 G200 I201 I202	L186-L198 HydrophobicContact CB-CD1 4.36Å; L186-L198 HydrophobicContact CD2-CD1 3.7Å; L189-L198 HydrophobicContact CB-CD1 4.15Å; L189-L198 HydrophobicContact CB-CD2 4.31Å; R190-L198 HydrophobicContact CG-CD1 4.09Å; R190-L198 HydrophobicContact CG-CD2 4.02Å; R190-L198 HydrophobicContact CG-CG 3.73Å; F193-L198 HydrophobicContact CD2-CD2 3.77Å; F193-L198 HydrophobicContact CE2-CD2 4.4Å; L198-G200 PolarHBondContact O-N 3.43Å; L198-I201 HydrophobicContact CD2-CD1 4.31Å; L198-I201 WeakPolarHBondContact O-CB 3.41Å; L198-I201 PolarHBondContact O-N 3.13Å; L198-I202 HydrophobicContact CB-CG2 4.05Å; L198-I202 HydrophobicContact CD1-CG2 4.19Å; L198-I202 PolarHBondContact O-N 3.42Å; L198-I202 VanDerWaalsContact O-N 3.07Å
199	V	85.9	Confident	91.9	Very high	126 Å²	126	56 Å²	56	76%	0.764	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.4	176.2	171.8	0	0	0	0	109.7	S197 I201	S197-V199 VanDerWaalsContact C-N 3.31Å; S197-V199 VanDerWaalsContact OG-CB 3.29Å; S197-V199 WeakPolarHBondContact OG-CB 3.32Å; S197-V199 WeakPolarHBondContact OG-CG2 3.48Å; S197-V199 PolarHBondContact OG-N 3.38Å; V199-I201 VanDerWaalsContact C-N 3.32Å
200	G	84.8	Confident	91.9	Very high	82 Å²	82	60.8 Å²	60.8	85%	0.845	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-15.8	-174.6	0	0	0	0	0	114.8	L198	L198-G200 PolarHBondContact O-N 3.43Å
201	I	88.8	Confident	92	Very high	35 Å²	35	60.9 Å²	60.9	18%	0.179	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-52.4	174.3	-58.3	175.1	0	0	0	110.2	F193 L198 V199 M292 A295	F193-I201 HydrophobicContact CB-CD1 4.26Å; F193-I201 HydrophobicContact CD1-CD1 3.7Å; F193-I201 HydrophobicContact CD2-CD1 3.74Å; F193-I201 HydrophobicContact CE1-CD1 3.89Å; F193-I201 HydrophobicContact CE2-CD1 3.93Å; F193-I201 HydrophobicContact CE2-CG2 4.03Å; F193-I201 HydrophobicContact CG-CD1 3.62Å; F193-I201 HydrophobicContact CZ-CD1 3.99Å; F193-I201 HydrophobicContact CZ-CG2 4.01Å; L198-I201 HydrophobicContact CD2-CD1 4.31Å; L198-I201 WeakPolarHBondContact O-CB 3.41Å; L198-I201 PolarHBondContact O-N 3.13Å; V199-I201 VanDerWaalsContact C-N 3.32Å; I201-M292 HydrophobicContact CG2-CB 4.14Å; I201-M292 HydrophobicContact CG2-CG 4.07Å; I201-A295 HydrophobicContact CG2-CB 4.04Å
202	I	92.1	Very high	92.1	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	34%	0.336	C	S	.	.			trans	-152.2	136.4	178.6	-173.8	160.2	0	0	0	110.3	L198 E204 I207 F289 M292	L198-I202 HydrophobicContact CB-CG2 4.05Å; L198-I202 HydrophobicContact CD1-CG2 4.19Å; L198-I202 PolarHBondContact O-N 3.42Å; L198-I202 VanDerWaalsContact O-N 3.07Å; I202-E204 PolarHBondContact O-N 2.9Å; I202-I207 HydrophobicContact CD1-CD1 3.7Å; I202-I207 HydrophobicContact CD1-CG1 3.95Å; I202-I207 HydrophobicContact CG1-CD1 4.06Å; I202-I207 HydrophobicContact CG1-CG1 4.36Å; I202-F289 HydrophobicContact CD1-CD1 3.41Å; I202-F289 VanDerWaalsContact CD1-CD1 3.41Å; I202-F289 HydrophobicContact CD1-CE1 3.45Å; I202-F289 VanDerWaalsContact CD1-CE1 3.45Å; I202-F289 HydrophobicContact CD1-CG 4.44Å; I202-M292 HydrophobicContact CB-CB 4.36Å; I202-M292 HydrophobicContact CB-SD 4.44Å; I202-M292 HydrophobicContact CD1-CB 4.48Å; I202-M292 HydrophobicContact CD1-CE 4.44Å; I202-M292 HydrophobicContact CD1-SD 3.61Å; I202-M292 HydrophobicContact CG2-SD 4.38Å
203	D	90.8	Very high	92.2	Very high	88 Å²	88	55.1 Å²	55.1	47%	0.471	33%	0.334	S	S	.	.			trans	-74.9	118.9	168.5	-175.3	2.4	0	0	0	109.6	S205 E206	D203-S205 PolarHBondContact O-N 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.1Å; D203-S205 PolarHBondContact OD2-OG 3.43Å; D203-E206 HydrophobicContact CB-CG 4.17Å; D203-E206 PolarHBondContact O-N 2.91Å
204	E	92.1	Very high	92.3	Very high	54 Å²	54	56.9 Å²	56.9	25%	0.252	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.2	178.1	-64.3	-177	-151	0	0	112.6	K182 L186 R190 I202 I207	K182-E204 WeakPolarHBondContact CE-O 3.34Å; K182-E204 PolarHBondContact NZ-O 3.22Å; L186-E204 HydrophobicContact CD1-CB 4.44Å; L186-E204 HydrophobicContact CD1-CG 4.05Å; L186-E204 HydrophobicContact CD2-CG 4.37Å; R190-E204 IonicContact CZ-OE1 2.94Å; R190-E204 IonicContact NE-OE1 2.79Å; R190-E204 IonicContact NH2-OE1 2.98Å; R190-E204 PolarHBondContact NH2-OE1 3.34Å; R190-E204 IonicContact NH2-OE2 3.24Å; R190-E204 PolarHBondContact NH2-OE2 3.36Å; I202-E204 PolarHBondContact O-N 2.9Å; E204-I207 PolarHBondContact O-N 3.42Å
205	S	91.6	Very high	92.5	Very high	85 Å²	85	53.2 Å²	53.2	59%	0.594	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-36	179.5	87.1	0	0	0	0	112.4	D203 I207	D203-S205 PolarHBondContact O-N 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.47Å; D203-S205 PolarHBondContact OD1-N 3.42Å; D203-S205 PolarHBondContact OD1-OG 3.1Å; D203-S205 PolarHBondContact OD2-OG 3.43Å; S205-I207 PolarHBondContact O-N 3.38Å
206	E	90.3	Very high	92.9	Very high	110 Å²	110	51.2 Å²	51.2	51%	0.514	30%	0.301	S	S	.	.	S	Bend	trans	-71.3	-17.3	-179.9	-66.1	-64.2	156.1	0	0	113.1	D203 A208	D203-E206 HydrophobicContact CB-CG 4.17Å; D203-E206 PolarHBondContact O-N 2.91Å; E206-A208 PolarHBondContact O-N 3.11Å
207	I	96	Very high	93.3	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	28%	0.281	C	S	.	.			trans	-84.1	106.6	-177.3	-57	170.9	0	0	0	110.2	K182 L186 I202 E204 S205 S209 V212 F289 L498	K182-I207 HydrophobicContact CD-CG2 4.14Å; K182-I207 WeakPolarHBondContact CE-O 2.86Å; K182-I207 HydrophobicContact CG-CG2 4.2Å; K182-I207 PolarHBondContact NZ-O 3.48Å; L186-I207 HydrophobicContact CD2-CD1 3.68Å; I202-I207 HydrophobicContact CD1-CD1 3.7Å; I202-I207 HydrophobicContact CD1-CG1 3.95Å; I202-I207 HydrophobicContact CG1-CD1 4.06Å; I202-I207 HydrophobicContact CG1-CG1 4.36Å; E204-I207 PolarHBondContact O-N 3.42Å; S205-I207 PolarHBondContact O-N 3.38Å; I207-S209 PolarHBondContact O-N 3.18Å; I207-V212 HydrophobicContact CG2-CG2 3.87Å; I207-F289 HydrophobicContact CG1-CE1 4.15Å; I207-F289 HydrophobicContact CG1-CZ 4.36Å; I207-L498 HydrophobicContact CD1-CD1 4.02Å; I207-L498 HydrophobicContact CG2-CB 4.4Å; I207-L498 HydrophobicContact CG2-CD2 3.94Å
208	A	96.8	Very high	93.6	Very high	29 Å²	29	46.6 Å²	46.6	24%	0.24	27%	0.274	C	S	.	.			trans	-72.7	115.7	174.3	0	0	0	0	0	112.3	E206 H210 H211 V212	E206-A208 PolarHBondContact O-N 3.11Å; A208-H210 VanDerWaalsContact C-N 3.27Å; A208-H210 PolarHBondContact O-N 2.82Å; A208-H211 HydrophobicContact CB-CB 4.25Å; A208-H211 WeakPolarHBondContact O-CB 3.11Å; A208-H211 PolarHBondContact O-N 3.4Å; A208-V212 PolarHBondContact O-N 3.41Å
209	S	97.3	Very high	93.6	Very high	21 Å²	21	51.5 Å²	51.5	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-33.5	-175.7	61.7	0	0	0	0	113.9	N179 I207 H211 V212 A213	N179-S209 WeakPolarHBondContact OD1-CB 3.45Å; N179-S209 PolarHBondContact OD1-OG 3.48Å; I207-S209 PolarHBondContact O-N 3.18Å; S209-H211 VanDerWaalsContact C-N 3.34Å; S209-H211 PolarHBondContact O-N 2.89Å; S209-V212 PolarHBondContact O-N 2.7Å; S209-A213 PolarHBondContact O-N 3.41Å
210	H	96.8	Very high	93.7	Very high	101 Å²	101	47.7 Å²	47.7	47%	0.468	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-29.2	176.8	66.3	-89.7	0	0	0	112.8	N178 A208 Y214	N178-H210 WeakPolarHBondContact ND2-CB 3.33Å; A208-H210 VanDerWaalsContact C-N 3.27Å; A208-H210 PolarHBondContact O-N 2.82Å; H210-Y214 WeakPolarHBondContact O-CB 3.42Å; H210-Y214 PolarHBondContact O-N 3.42Å
211	H	97.7	Very high	93.4	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-44.2	171.8	-69.5	167.7	0	0	0	111.2	A208 S209 A213 Y214 N215 P501	A208-H211 HydrophobicContact CB-CB 4.25Å; A208-H211 WeakPolarHBondContact O-CB 3.11Å; A208-H211 PolarHBondContact O-N 3.4Å; S209-H211 VanDerWaalsContact C-N 3.34Å; S209-H211 PolarHBondContact O-N 2.89Å; H211-A213 PolarHBondContact O-N 2.93Å; H211-Y214 PolarHBondContact O-N 3.43Å; H211-N215 WeakPolarHBondContact O-CB 3.49Å; H211-N215 PolarHBondContact O-N 3.49Å; H211-N215 PolarHBondContact O-ND2 3.19Å; H211-P501 VanDerWaalsContact CD2-CD 3.49Å; H211-P501 WeakPolarHBondContact CD2-CD 3.34Å
212	V	98	Very high	93.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-50.9	179.1	-170	0	0	0	0	111.1	W181 K182 C185 I207 A208 S209 Y214 N215 A216 L497 L498	W181-V212 HydrophobicContact CB-CG1 4.17Å; K182-V212 HydrophobicContact CB-CG2 4.32Å; C185-V212 HydrophobicContact CB-CG1 4.42Å; I207-V212 HydrophobicContact CG2-CG2 3.87Å; A208-V212 PolarHBondContact O-N 3.41Å; S209-V212 PolarHBondContact O-N 2.7Å; V212-Y214 PolarHBondContact O-N 3.3Å; V212-N215 PolarHBondContact O-N 3.13Å; V212-A216 WeakPolarHBondContact O-CB 3.43Å; V212-A216 PolarHBondContact O-N 2.69Å; V212-L497 WeakPolarHBondContact CA-O 3.37Å; V212-L497 HydrophobicContact CG1-CB 4.35Å; V212-L498 HydrophobicContact CG1-CD2 4.27Å; V212-L498 HydrophobicContact CG2-CD2 3.82Å
213	A	97.1	Very high	92.9	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-40	178.6	0	0	0	0	0	112.5	N178 W181 S209 H211 A216 T217	N178-A213 HydrophobicContact CB-CB 4.27Å; N178-A213 WeakPolarHBondContact OD1-CB 3.34Å; W181-A213 HydrophobicContact CB-CB 4.09Å; W181-A213 HydrophobicContact CG-CB 3.91Å; S209-A213 PolarHBondContact O-N 3.41Å; H211-A213 PolarHBondContact O-N 2.93Å; A213-A216 PolarHBondContact O-N 2.96Å; A213-T217 WeakPolarHBondContact O-CB 3.37Å; A213-T217 WeakPolarHBondContact O-CG2 3.45Å; A213-T217 PolarHBondContact O-N 3.27Å; A213-T217 VanDerWaalsContact O-N 3.15Å; A213-T217 PolarHBondContact O-OG1 3.07Å
214	Y	97.3	Very high	92.9	Very high	56 Å²	56	56.7 Å²	56.7	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-50.3	174.8	-176.8	-80	0	0	0	110.6	H210 H211 V212 A216 T217 N218 K226 P228 P501	H210-Y214 WeakPolarHBondContact O-CB 3.42Å; H210-Y214 PolarHBondContact O-N 3.42Å; H211-Y214 PolarHBondContact O-N 3.43Å; V212-Y214 PolarHBondContact O-N 3.3Å; Y214-A216 VanDerWaalsContact C-N 3.31Å; Y214-A216 PolarHBondContact O-N 3.11Å; Y214-T217 PolarHBondContact O-N 3.07Å; Y214-N218 HydrophobicContact CD1-CB 4.05Å; Y214-N218 HydrophobicContact CD2-CB 4.41Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.25Å; Y214-N218 HydrophobicContact CE1-CB 3.74Å; Y214-N218 HydrophobicContact CE2-CB 4.14Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.49Å; Y214-N218 HydrophobicContact CG-CB 4.35Å; Y214-N218 VanDerWaalsContact O-CB 3.24Å; Y214-N218 WeakPolarHBondContact O-CB 3.19Å; Y214-N218 PolarHBondContact O-N 3.47Å; Y214-N218 PolarHBondContact O-ND2 3.11Å; Y214-K226 HydrophobicContact CE1-CB 4.43Å; Y214-K226 WeakPolarHBondContact CE1-O 3.29Å; Y214-P228 HydrophobicContact CD2-CG 4.36Å; Y214-P228 HydrophobicContact CE1-CG 4.06Å; Y214-P228 HydrophobicContact CE2-CB 4.38Å; Y214-P228 HydrophobicContact CE2-CG 3.84Å; Y214-P501 HydrophobicContact CD1-CB 3.83Å; Y214-P501 HydrophobicContact CD1-CG 3.65Å; Y214-P501 HydrophobicContact CE1-CB 3.91Å; Y214-P501 HydrophobicContact CE1-CG 4.19Å; Y214-P501 HydrophobicContact CG-CG 4.24Å
215	N	97.4	Very high	92.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-40.4	178.4	-80	-27.4	0	0	0	111.9	H211 V212 T217 L497 L499 R504	H211-N215 WeakPolarHBondContact O-CB 3.49Å; H211-N215 PolarHBondContact O-N 3.49Å; H211-N215 PolarHBondContact O-ND2 3.19Å; V212-N215 PolarHBondContact O-N 3.13Å; N215-T217 VanDerWaalsContact C-N 3.25Å; N215-T217 PolarHBondContact O-N 2.74Å; N215-L497 HydrophobicContact CB-CD2 3.82Å; N215-L497 PolarHBondContact ND2-O 3.28Å; N215-L499 PolarHBondContact ND2-O 3.01Å; N215-R504 VanDerWaalsContact CA-NH1 3.34Å; N215-R504 VanDerWaalsContact CB-NH1 3.32Å; N215-R504 PolarHBondContact O-NH1 2.96Å; N215-R504 WeakPolarHBondContact OD1-CD 3.3Å
216	A	96	Very high	93	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-68.4	-23.3	179.9	0	0	0	0	0	113.7	W181 V212 A213 Y214 L497 L574	W181-A216 HydrophobicContact CD2-CB 3.87Å; W181-A216 HydrophobicContact CE3-CB 3.49Å; W181-A216 VanDerWaalsContact CE3-CB 3.49Å; W181-A216 HydrophobicContact CH2-CB 3.8Å; W181-A216 HydrophobicContact CZ2-CB 4.13Å; W181-A216 HydrophobicContact CZ3-CB 3.47Å; W181-A216 VanDerWaalsContact CZ3-CB 3.47Å; V212-A216 WeakPolarHBondContact O-CB 3.43Å; V212-A216 PolarHBondContact O-N 2.69Å; A213-A216 PolarHBondContact O-N 2.96Å; Y214-A216 VanDerWaalsContact C-N 3.31Å; Y214-A216 PolarHBondContact O-N 3.11Å; A216-L497 HydrophobicContact CB-CD2 4.33Å; A216-L574 HydrophobicContact CB-CD1 3.85Å
217	T	93.9	Very high	93.1	Very high	73 Å²	73	50.4 Å²	50.4	45%	0.448	26%	0.263	S	S	.	.	H	α-helix	trans	-117.5	-19.9	-170.4	58.8	0	0	0	0	114.6	W181 A213 Y214 N215	W181-T217 HydrophobicContact CZ2-CG2 4.1Å; A213-T217 WeakPolarHBondContact O-CB 3.37Å; A213-T217 WeakPolarHBondContact O-CG2 3.45Å; A213-T217 PolarHBondContact O-N 3.27Å; A213-T217 VanDerWaalsContact O-N 3.15Å; A213-T217 PolarHBondContact O-OG1 3.07Å; Y214-T217 PolarHBondContact O-N 3.07Å; N215-T217 VanDerWaalsContact C-N 3.25Å; N215-T217 PolarHBondContact O-N 2.74Å
218	N	94.1	Very high	92.9	Very high	43 Å²	43	53.6 Å²	53.6	23%	0.23	28%	0.284	C	S	.	.			trans	-111.6	91.3	-172.9	-65	-49.8	0	0	0	112.6	Y214 K226	Y214-N218 HydrophobicContact CD1-CB 4.05Å; Y214-N218 HydrophobicContact CD2-CB 4.41Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.25Å; Y214-N218 HydrophobicContact CE1-CB 3.74Å; Y214-N218 HydrophobicContact CE2-CB 4.14Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.49Å; Y214-N218 HydrophobicContact CG-CB 4.35Å; Y214-N218 VanDerWaalsContact O-CB 3.24Å; Y214-N218 WeakPolarHBondContact O-CB 3.19Å; Y214-N218 PolarHBondContact O-N 3.47Å; Y214-N218 PolarHBondContact O-ND2 3.11Å; N218-K226 HydrophobicContact CB-CB 4.41Å; N218-K226 HydrophobicContact CB-CD 4.33Å; N218-K226 PolarHBondContact O-N 3.25Å
219	F	91.9	Very high	92.6	Very high	104 Å²	104	56.8 Å²	56.8	46%	0.456	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-132.9	165.4	171.2	46.3	-88.9	0	0	0	111	M224 K226	F219-M224 CarbonylContact C-O 3.55Å; F219-M224 WeakPolarHBondContact CA-O 3.5Å; F219-M224 WeakPolarHBondContact CB-O 3.4Å; F219-K226 WeakPolarHBondContact O-CE 3.46Å; F219-K226 PolarHBondContact O-NZ 3.31Å
220	T	86.6	Confident	92.2	Very high	46 Å²	46	61.5 Å²	61.5	28%	0.282	33%	0.327	S	S	.	.			trans	-81	163.9	172	66.7	0	0	0	0	110.3	R222 G223 M224 K226	T220-R222 PolarHBondContact O-N 3.41Å; T220-R222 PolarHBondContact OG1-N 3.03Å; T220-G223 PolarHBondContact O-N 3.25Å; T220-M224 HydrophobicContact CG2-CB 4.07Å; T220-M224 PolarHBondContact N-O 2.92Å; T220-M224 WeakPolarHBondContact OG1-CB 3.31Å; T220-M224 PolarHBondContact OG1-N 3.26Å; T220-M224 PolarHBondContact OG1-O 3.18Å; T220-K226 HydrophobicContact CG2-CG 4.27Å
221	S	79.7	Confident	91.8	Very high	134 Å²	134	60.2 Å²	60.2	94%	0.937	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.2	173.4	54.2	0	0	0	0	114.2
222	R	82.9	Confident	91.4	Very high	217 Å²	217	60.5 Å²	60.5	82%	0.819	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	10.4	174.9	-61.3	-173.9	179.8	-173.5	-0.6	113.7	T220 M224	T220-R222 PolarHBondContact O-N 3.41Å; T220-R222 PolarHBondContact OG1-N 3.03Å; R222-M224 VanDerWaalsContact C-N 3.28Å; R222-M224 HydrophobicContact CB-CG 4.41Å; R222-M224 PolarHBondContact O-N 3.42Å
223	G	86	Confident	91.2	Very high	25 Å²	25	62.6 Å²	62.6	26%	0.258	36%	0.356	S	S	.	.	S	Bend	trans	73.4	15.5	-177.1	0	0	0	0	0	114.4	T220 Q508	T220-G223 PolarHBondContact O-N 3.25Å; G223-Q508 PolarHBondContact O-NE2 3.48Å
224	M	91.5	Very high	90.9	Very high	26 Å²	26	62.7 Å²	62.7	13%	0.128	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-82.6	132.3	176.4	-55.9	-64.6	-59.3	0	0	111.3	F219 T220 R222 Q508 L509 R512	F219-M224 CarbonylContact C-O 3.55Å; F219-M224 WeakPolarHBondContact CA-O 3.5Å; F219-M224 WeakPolarHBondContact CB-O 3.4Å; T220-M224 HydrophobicContact CG2-CB 4.07Å; T220-M224 PolarHBondContact N-O 2.92Å; T220-M224 WeakPolarHBondContact OG1-CB 3.31Å; T220-M224 PolarHBondContact OG1-N 3.26Å; T220-M224 PolarHBondContact OG1-O 3.18Å; R222-M224 VanDerWaalsContact C-N 3.28Å; R222-M224 HydrophobicContact CB-CG 4.41Å; R222-M224 PolarHBondContact O-N 3.42Å; M224-Q508 HydrophobicContact CE-CG 4.21Å; M224-L509 HydrophobicContact CE-CD2 3.62Å; M224-L509 HydrophobicContact CE-CG 4.39Å; M224-R512 PolarHBondContact SD-NH1 2.86Å
225	A	93.3	Very high	90.7	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.025	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-57.3	144.7	169.6	0	0	0	0	0	110.7	R504 R505	A225-R504 HydrophobicContact CB-CG 4.45Å; A225-R505 HydrophobicContact CB-CB 4.44Å; A225-R505 WeakPolarHBondContact O-CD 3.5Å; A225-R505 PolarHBondContact O-NH1 2.97Å
226	K	92.6	Very high	90.2	Very high	92 Å²	92	63.5 Å²	63.5	40%	0.4	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-100.6	156.8	174	-70.6	176.1	172.9	168.4	0	110.1	Y214 N218 F219 T220	Y214-K226 HydrophobicContact CE1-CB 4.43Å; Y214-K226 WeakPolarHBondContact CE1-O 3.29Å; N218-K226 HydrophobicContact CB-CB 4.41Å; N218-K226 HydrophobicContact CB-CD 4.33Å; N218-K226 PolarHBondContact O-N 3.25Å; F219-K226 WeakPolarHBondContact O-CE 3.46Å; F219-K226 PolarHBondContact O-NZ 3.31Å; T220-K226 HydrophobicContact CG2-CG 4.27Å
227	V	93.4	Very high	89.8	Confident	22 Å²	22	64.2 Å²	64.2	13%	0.133	38%	0.377	C	S	.	.			trans	-113.4	136.3	170.6	-170.6	0	0	0	0	107.8	N229 D232 D233 K502 R505	V227-N229 VanDerWaalsContact C-N 3.32Å; V227-N229 VanDerWaalsContact CG1-O 3.31Å; V227-N229 WeakPolarHBondContact CG1-O 3.27Å; V227-N229 PolarHBondContact O-N 2.96Å; V227-D232 HydrophobicContact CG1-CB 3.63Å; V227-D233 HydrophobicContact CG2-CB 4.46Å; V227-K502 HydrophobicContact CG1-CB 4.37Å; V227-R505 HydrophobicContact CG2-CB 3.51Å; V227-R505 HydrophobicContact CG2-CG 3.47Å; V227-R505 VanDerWaalsContact CG2-CG 3.47Å
228	P	91.4	Very high	89.7	Confident	70 Å²	70	60.8 Å²	60.8	46%	0.455	36%	0.356	S	S	.	.	S	Bend	trans	-56.8	-44.9	178.1	-25	32.1	0	0	0	112.7	Y214 P501	Y214-P228 HydrophobicContact CD2-CG 4.36Å; Y214-P228 HydrophobicContact CE1-CG 4.06Å; Y214-P228 HydrophobicContact CE2-CB 4.38Å; Y214-P228 HydrophobicContact CE2-CG 3.84Å; P228-P501 HydrophobicContact CG-CB 4.26Å; P228-P501 HydrophobicContact CG-CG 4.29Å
229	N	90.7	Very high	89.6	Confident	97 Å²	97	60.8 Å²	60.8	52%	0.519	36%	0.356	S	S	.	.	S	Bend	trans	-102.4	125.8	176.9	-52.8	-45.5	0	0	0	110	V227 G231 D232	V227-N229 VanDerWaalsContact C-N 3.32Å; V227-N229 VanDerWaalsContact CG1-O 3.31Å; V227-N229 WeakPolarHBondContact CG1-O 3.27Å; V227-N229 PolarHBondContact O-N 2.96Å; N229-G231 PolarHBondContact O-N 3.48Å; N229-D232 HydrophobicContact CB-CB 4.4Å; N229-D232 WeakPolarHBondContact CB-OD2 3.29Å; N229-D232 PolarHBondContact ND2-OD2 2.83Å; N229-D232 PolarHBondContact O-N 3.44Å
230	P	87.3	Confident	89.3	Confident	119 Å²	119	61.2 Å²	61.2	77%	0.773	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.3	-28.5	176	-25.5	34.9	0	0	0	114.3	D232 D233	P230-D232 PolarHBondContact O-N 3.47Å; P230-D233 PolarHBondContact O-N 3.31Å
231	G	88.4	Confident	89.4	Confident	75 Å²	75	59 Å²	59	77%	0.773	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-70	-16.4	179.1	0	0	0	0	0	114.5	N229	N229-G231 PolarHBondContact O-N 3.48Å
232	D	91	Very high	90	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-87.8	-6.7	177.9	-71.6	-30.9	0	0	0	112.6	V227 N229 P230 K502 W506	V227-D232 HydrophobicContact CG1-CB 3.63Å; N229-D232 HydrophobicContact CB-CB 4.4Å; N229-D232 WeakPolarHBondContact CB-OD2 3.29Å; N229-D232 PolarHBondContact ND2-OD2 2.83Å; N229-D232 PolarHBondContact O-N 3.44Å; P230-D232 PolarHBondContact O-N 3.47Å; D232-K502 HydrophobicContact CB-CB 4.5Å; D232-K502 HydrophobicContact CB-CD 4.08Å; D232-K502 HydrophobicContact CB-CG 4.2Å; D232-W506 PolarHBondContact O-NE1 2.74Å
233	D	92.7	Very high	90.2	Very high	43 Å²	43	49 Å²	49	23%	0.23	29%	0.287	C	S	.	.	S	Bend	trans	-79.2	164.8	177.6	-156.4	4	0	0	0	111.6	V227 P230 R505	V227-D233 HydrophobicContact CG2-CB 4.46Å; P230-D233 PolarHBondContact O-N 3.31Å; D233-R505 VanDerWaalsContact OD1-CG 3.29Å; D233-R505 WeakPolarHBondContact OD1-CG 3.48Å; D233-R505 IonicContact OD1-CZ 3.48Å; D233-R505 IonicContact OD1-NE 3.54Å; D233-R505 PolarHBondContact OD1-NE 3.01Å; D233-R505 IonicContact OD1-NH2 3.71Å; D233-R505 IonicContact OD2-CZ 2.64Å; D233-R505 IonicContact OD2-NE 2.68Å; D233-R505 PolarHBondContact OD2-NE 2.84Å; D233-R505 IonicContact OD2-NH2 3Å; D233-R505 PolarHBondContact OD2-NH2 3.24Å
234	V	91.6	Very high	90.1	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61	132.9	178	177.8	0	0	0	0	110	A238 L239 F275 W506 L509	V234-A238 HydrophobicContact CG1-CB 3.79Å; V234-L239 HydrophobicContact CB-CD2 4.07Å; V234-L239 HydrophobicContact CB-CG 4.15Å; V234-L239 HydrophobicContact CG1-CD2 3.99Å; V234-L239 HydrophobicContact CG1-CG 3.96Å; V234-L239 WeakPolarHBondContact O-CD1 3.23Å; V234-F275 HydrophobicContact CG1-CE1 4.36Å; V234-F275 HydrophobicContact CG1-CZ 4.05Å; V234-F275 HydrophobicContact CG2-CE1 4.45Å; V234-W506 HydrophobicContact CG2-CD2 3.55Å; V234-W506 HydrophobicContact CG2-CE3 3.82Å; V234-W506 HydrophobicContact CG2-CG 3.99Å; V234-W506 HydrophobicContact CG2-CH2 4.29Å; V234-W506 HydrophobicContact CG2-CZ2 4.03Å; V234-W506 HydrophobicContact CG2-CZ3 4.19Å; V234-L509 HydrophobicContact CB-CD1 3.97Å; V234-L509 HydrophobicContact CG2-CD1 3.55Å
235	P	92.3	Very high	89.9	Confident	37 Å²	37	46.7 Å²	46.7	24%	0.24	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.8	-175.1	25.2	-35.4	0	0	0	112.5	W237 A238 L239 Y274	P235-W237 VanDerWaalsContact C-N 3.3Å; P235-W237 HydrophobicContact CG-CZ2 4.28Å; P235-W237 PolarHBondContact O-N 2.88Å; P235-A238 HydrophobicContact CG-CB 3.98Å; P235-A238 PolarHBondContact O-N 3.43Å; P235-L239 PolarHBondContact O-N 3.31Å; P235-L239 VanDerWaalsContact O-N 3.11Å; P235-Y274 WeakPolarHBondContact CD-OH 3.35Å; P235-Y274 HydrophobicContact CG-CE1 3.93Å; P235-Y274 HydrophobicContact CG-CE2 4.45Å; P235-Y274 WeakPolarHBondContact CG-OH 3.33Å
236	G	86.5	Confident	89.8	Confident	38 Å²	38	47.3 Å²	47.3	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-55.2	-39.8	-174.1	0	0	0	0	0	114.3	L239 R240	G236-L239 PolarHBondContact O-N 2.91Å; G236-R240 VanDerWaalsContact O-CG 3.3Å; G236-R240 WeakPolarHBondContact O-CG 3.3Å; G236-R240 PolarHBondContact O-N 2.64Å
237	W	89	Confident	89.4	Confident	21 Å²	21	46.3 Å²	46.3	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-40.1	177.3	65.3	-96.5	0	0	0	112.5	P235 R240 G241 T270 L271 Y274 F376 S380 L383 N384	P235-W237 VanDerWaalsContact C-N 3.3Å; P235-W237 HydrophobicContact CG-CZ2 4.28Å; P235-W237 PolarHBondContact O-N 2.88Å; W237-R240 PolarHBondContact O-N 3.09Å; W237-G241 PolarHBondContact O-N 3Å; W237-T270 HydrophobicContact CH2-CG2 4.43Å; W237-T270 HydrophobicContact CZ3-CG2 3.97Å; W237-L271 HydrophobicContact CZ3-CD2 4.22Å; W237-Y274 AromaticContact CH2-CD1 3.8Å; W237-Y274 HydrophobicContact CH2-CD1 3.8Å; W237-Y274 AromaticContact CH2-CD2 3.89Å; W237-Y274 HydrophobicContact CH2-CD2 3.89Å; W237-Y274 HydrophobicContact CH2-CE1 4.47Å; W237-Y274 AromaticContact CH2-CG 3.46Å; W237-Y274 HydrophobicContact CH2-CG 3.46Å; W237-Y274 VanDerWaalsContact CH2-CG 3.46Å; W237-Y274 AromaticContact CZ2-CD1 3.97Å; W237-Y274 HydrophobicContact CZ2-CD1 3.97Å; W237-Y274 AromaticContact CZ2-CD2 3.62Å; W237-Y274 HydrophobicContact CZ2-CD2 3.62Å; W237-Y274 HydrophobicContact CZ2-CE1 4.23Å; W237-Y274 AromaticContact CZ2-CE2 3.9Å; W237-Y274 HydrophobicContact CZ2-CE2 3.9Å; W237-Y274 AromaticContact CZ2-CG 3.65Å; W237-Y274 HydrophobicContact CZ2-CG 3.65Å; W237-F376 HydrophobicContact CH2-CE2 4.38Å; W237-F376 AromaticContact CH2-CZ 3.9Å; W237-F376 HydrophobicContact CH2-CZ 3.9Å; W237-F376 HydrophobicContact CZ2-CE1 4.5Å; W237-F376 AromaticContact CZ2-CZ 3.91Å; W237-F376 HydrophobicContact CZ2-CZ 3.91Å; W237-S380 VanDerWaalsContact CB-O 3.31Å; W237-S380 WeakPolarHBondContact CB-O 3.41Å; W237-L383 HydrophobicContact CB-CB 3.99Å; W237-L383 HydrophobicContact CE3-CB 4.09Å; W237-L383 HydrophobicContact CE3-CD1 3.59Å; W237-L383 HydrophobicContact CE3-CG 4.5Å; W237-L383 HydrophobicContact CZ3-CD1 3.79Å; W237-N384 HydrophobicContact CB-CB 4.07Å; W237-N384 VanDerWaalsContact CB-CG 3.45Å; W237-N384 WeakPolarHBondContact CB-OD1 3.33Å; W237-N384 PolarHBondContact N-OD1 3.45Å
238	A	91.8	Very high	88.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-42.7	180	0	0	0	0	0	109.7	V234 P235 R240 G241 M242 L271 Y274	V234-A238 HydrophobicContact CG1-CB 3.79Å; P235-A238 HydrophobicContact CG-CB 3.98Å; P235-A238 PolarHBondContact O-N 3.43Å; A238-R240 VanDerWaalsContact C-N 3.31Å; A238-R240 PolarHBondContact O-N 3Å; A238-G241 PolarHBondContact O-N 3.01Å; A238-M242 WeakPolarHBondContact O-CB 3.4Å; A238-M242 WeakPolarHBondContact O-CG 3.26Å; A238-M242 PolarHBondContact O-N 3.23Å; A238-L271 HydrophobicContact CB-CD2 4.11Å; A238-Y274 HydrophobicContact CB-CD1 4.2Å; A238-Y274 HydrophobicContact CB-CE1 4.11Å
239	L	92.1	Very high	87.8	Confident	43 Å²	43	45 Å²	45	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-37.7	172.9	-68.6	176.4	0	0	0	112.9	V234 P235 G236 M242 K243 L509	V234-L239 HydrophobicContact CB-CD2 4.07Å; V234-L239 HydrophobicContact CB-CG 4.15Å; V234-L239 HydrophobicContact CG1-CD2 3.99Å; V234-L239 HydrophobicContact CG1-CG 3.96Å; V234-L239 WeakPolarHBondContact O-CD1 3.23Å; P235-L239 PolarHBondContact O-N 3.31Å; P235-L239 VanDerWaalsContact O-N 3.11Å; G236-L239 PolarHBondContact O-N 2.91Å; L239-M242 HydrophobicContact CD2-SD 4.32Å; L239-K243 WeakPolarHBondContact O-CB 3.41Å; L239-K243 VanDerWaalsContact O-CG 3.25Å; L239-K243 WeakPolarHBondContact O-CG 3.29Å; L239-K243 PolarHBondContact O-N 2.93Å; L239-L509 HydrophobicContact CD2-CD1 3.96Å; L239-L509 HydrophobicContact CD2-CD2 4.12Å
240	R	85.3	Confident	86.7	Confident	114 Å²	114	49.9 Å²	49.9	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-68.4	-43.4	174.5	-71.8	175.7	-161.3	-142.7	8.3	111.5	G236 W237 A238 K243 C244 N384 L386	G236-R240 VanDerWaalsContact O-CG 3.3Å; G236-R240 WeakPolarHBondContact O-CG 3.3Å; G236-R240 PolarHBondContact O-N 2.64Å; W237-R240 PolarHBondContact O-N 3.09Å; A238-R240 VanDerWaalsContact C-N 3.31Å; A238-R240 PolarHBondContact O-N 3Å; R240-K243 PolarHBondContact O-N 3.13Å; R240-C244 WeakPolarHBondContact O-CB 2.99Å; R240-C244 PolarHBondContact O-N 2.93Å; R240-N384 VanDerWaalsContact CD-O 3.31Å; R240-N384 WeakPolarHBondContact CD-O 3.06Å; R240-N384 PolarHBondContact NE-O 2.68Å; R240-N384 PolarHBondContact NH1-O 3.36Å; R240-L386 HydrophobicContact CB-CB 4.33Å; R240-L386 HydrophobicContact CB-CD1 4.06Å
241	G	87.2	Confident	85.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-45.3	173.7	0	0	0	0	0	112.5	W237 A238 K243 C244 L245	W237-G241 PolarHBondContact O-N 3Å; A238-G241 PolarHBondContact O-N 3.01Å; G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 3.06Å; G241-C244 WeakPolarHBondContact O-CB 3.42Å; G241-C244 PolarHBondContact O-N 3.35Å; G241-C244 VanDerWaalsContact O-N 3.11Å; G241-L245 PolarHBondContact O-N 3.37Å
242	M	92.6	Very high	83.3	Confident	11 Å²	11	49.2 Å²	49.2	5%	0.054	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-43.5	175.8	-69.7	163.9	79.1	0	0	111.3	A238 L239 C244 L245 A246 L271 F275 L509 F513	A238-M242 WeakPolarHBondContact O-CB 3.4Å; A238-M242 WeakPolarHBondContact O-CG 3.26Å; A238-M242 PolarHBondContact O-N 3.23Å; L239-M242 HydrophobicContact CD2-SD 4.32Å; M242-C244 VanDerWaalsContact C-N 3.32Å; M242-C244 PolarHBondContact O-N 3.32Å; M242-L245 PolarHBondContact O-N 2.99Å; M242-A246 WeakPolarHBondContact O-CB 3.33Å; M242-A246 PolarHBondContact O-N 3.23Å; M242-L271 HydrophobicContact CG-CD1 4.11Å; M242-L271 HydrophobicContact CG-CD2 4.08Å; M242-F275 HydrophobicContact CE-CZ 4.35Å; M242-F275 HydrophobicContact CG-CE2 4.4Å; M242-F275 HydrophobicContact SD-CE2 3.91Å; M242-F275 HydrophobicContact SD-CZ 3.72Å; M242-L509 HydrophobicContact CE-CB 4.23Å; M242-L509 WeakPolarHBondContact CE-O 3.44Å; M242-F513 HydrophobicContact CB-CD2 3.62Å; M242-F513 HydrophobicContact CB-CE2 3.93Å; M242-F513 HydrophobicContact CB-CG 4.07Å; M242-F513 HydrophobicContact CE-CB 3.3Å; M242-F513 HydrophobicContact CE-CD1 4.01Å; M242-F513 HydrophobicContact CE-CD2 4.43Å; M242-F513 HydrophobicContact CE-CG 3.68Å; M242-F513 HydrophobicContact CG-CB 4.48Å; M242-F513 HydrophobicContact CG-CD1 4.12Å; M242-F513 HydrophobicContact CG-CD2 3.88Å; M242-F513 HydrophobicContact CG-CE1 4.28Å; M242-F513 HydrophobicContact CG-CE2 4.07Å; M242-F513 HydrophobicContact CG-CG 3.91Å; M242-F513 HydrophobicContact CG-CZ 4.28Å
243	K	87	Confident	81.2	Confident	128 Å²	128	49.8 Å²	49.8	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-64.4	-35.5	174.7	-75.6	172.6	-177.5	176.8	0	112.7	L239 R240 G241 N247	L239-K243 WeakPolarHBondContact O-CB 3.41Å; L239-K243 VanDerWaalsContact O-CG 3.25Å; L239-K243 WeakPolarHBondContact O-CG 3.29Å; L239-K243 PolarHBondContact O-N 2.93Å; R240-K243 PolarHBondContact O-N 3.13Å; G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 3.06Å; K243-N247 PolarHBondContact O-N 2.77Å; K243-N247 VanDerWaalsContact O-N 3.16Å; K243-N247 PolarHBondContact O-ND2 3.07Å
244	C	84	Confident	79.1	Confident	3 Å²	3	49 Å²	49	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-55.7	-53	176.5	-173.6	0	0	0	0	110.8	R240 G241 M242 W248 L386	R240-C244 WeakPolarHBondContact O-CB 2.99Å; R240-C244 PolarHBondContact O-N 2.93Å; G241-C244 WeakPolarHBondContact O-CB 3.42Å; G241-C244 PolarHBondContact O-N 3.35Å; G241-C244 VanDerWaalsContact O-N 3.11Å; M242-C244 VanDerWaalsContact C-N 3.32Å; M242-C244 PolarHBondContact O-N 3.32Å; C244-W248 PolarHBondContact O-N 3.4Å; C244-L386 HydrophobicContact CB-CD1 4.01Å
245	L	88.7	Confident	77.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-74.3	-39.8	-179.5	-60	178.5	0	0	0	112.7	G241 M242 N247 W248 E264 V267 F268 L271 F513 V517 N520 L523	G241-L245 PolarHBondContact O-N 3.37Å; M242-L245 PolarHBondContact O-N 2.99Å; L245-N247 PolarHBondContact O-N 2.7Å; L245-W248 WeakPolarHBondContact O-CB 3.21Å; L245-W248 PolarHBondContact O-N 3.23Å; L245-E264 HydrophobicContact CD2-CB 3.9Å; L245-E264 WeakPolarHBondContact CD2-O 3.49Å; L245-V267 HydrophobicContact CD1-CG1 4.03Å; L245-V267 HydrophobicContact CD2-CB 4.21Å; L245-V267 HydrophobicContact CD2-CG1 4.2Å; L245-V267 HydrophobicContact CG-CB 4.42Å; L245-V267 HydrophobicContact CG-CG1 3.9Å; L245-F268 HydrophobicContact CD1-CB 3.81Å; L245-F268 HydrophobicContact CD1-CD2 4.44Å; L245-L271 HydrophobicContact CD1-CD1 3.9Å; L245-F513 HydrophobicContact CB-CE2 4.07Å; L245-F513 HydrophobicContact CD1-CE2 4.3Å; L245-F513 HydrophobicContact CD1-CZ 4.04Å; L245-V517 HydrophobicContact CB-CG2 3.97Å; L245-N520 PolarHBondContact O-ND2 2.97Å; L245-L523 HydrophobicContact CB-CD2 3.99Å; L245-L523 HydrophobicContact CD2-CD1 4.46Å; L245-L523 HydrophobicContact CD2-CD2 4.33Å; L245-L523 WeakPolarHBondContact O-CD2 3.39Å
246	A	89.6	Confident	75	Confident	17 Å²	17	56.3 Å²	56.3	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-28.3	-178.8	0	0	0	0	0	113.6	M242 R516	M242-A246 WeakPolarHBondContact O-CB 3.33Å; M242-A246 PolarHBondContact O-N 3.23Å; A246-R516 HydrophobicContact CB-CB 3.82Å
247	N	84.3	Confident	73.2	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.374	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	11.8	178.7	-58.2	-47.1	0	0	0	112.8	K243 L245 W250 L251	K243-N247 PolarHBondContact O-N 2.77Å; K243-N247 VanDerWaalsContact O-N 3.16Å; K243-N247 PolarHBondContact O-ND2 3.07Å; L245-N247 PolarHBondContact O-N 2.7Å; N247-W250 CarbonylContact O-C 3.53Å; N247-W250 VanDerWaalsContact O-C 3.31Å; N247-W250 VanDerWaalsContact O-CA 3.29Å; N247-W250 WeakPolarHBondContact O-CA 3.35Å; N247-W250 PolarHBondContact O-N 2.68Å; N247-L251 HydrophobicContact CB-CD1 4.08Å
248	W	81	Confident	71.4	Confident	31 Å²	31	61.7 Å²	61.7	12%	0.117	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.7	-178.1	-177.3	-87.7	0	0	0	112.6	C244 L245 W250 I255 F263 E264 N520 L523	C244-W248 PolarHBondContact O-N 3.4Å; L245-W248 WeakPolarHBondContact O-CB 3.21Å; L245-W248 PolarHBondContact O-N 3.23Å; W248-W250 VanDerWaalsContact C-N 3.3Å; W248-I255 HydrophobicContact CD2-CD1 4.03Å; W248-I255 HydrophobicContact CE3-CD1 3.53Å; W248-I255 HydrophobicContact CH2-CD1 4.1Å; W248-I255 HydrophobicContact CH2-CG2 4.36Å; W248-I255 HydrophobicContact CZ3-CD1 3.56Å; W248-F263 HydrophobicContact CH2-CD1 4.15Å; W248-F263 AromaticContact CZ3-CD1 3.85Å; W248-F263 HydrophobicContact CZ3-CD1 3.85Å; W248-F263 HydrophobicContact CZ3-CE1 4.36Å; W248-E264 HydrophobicContact CD2-CB 4.2Å; W248-E264 HydrophobicContact CE3-CB 4.13Å; W248-E264 HydrophobicContact CH2-CB 3.95Å; W248-E264 HydrophobicContact CZ2-CB 4.01Å; W248-E264 HydrophobicContact CZ2-CG 4.41Å; W248-E264 HydrophobicContact CZ3-CB 4.01Å; W248-N520 PolarHBondContact N-ND2 2.63Å; W248-N520 PolarHBondContact O-ND2 3.42Å; W248-N520 PolarHBondContact O-OD1 2.73Å; W248-L523 HydrophobicContact CB-CB 4.15Å; W248-L523 HydrophobicContact CB-CD1 4.19Å; W248-L523 HydrophobicContact CB-CD2 4.34Å; W248-L523 HydrophobicContact CB-CG 4.46Å; W248-L523 HydrophobicContact CD2-CD1 4.22Å; W248-L523 HydrophobicContact CG-CB 4.21Å; W248-L523 HydrophobicContact CG-CD1 3.77Å; W248-L523 HydrophobicContact CG-CG 4.45Å
249	P	72.1	Confident	70	Confident	35 Å²	35	63.7 Å²	63.7	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.3	12.4	-7.2	36.2	-38.2	0	0	0	113.5	L251 I255 C522	P249-L251 PolarHBondContact O-N 2.94Å; P249-I255 VanDerWaalsContact CA-CD1 3.4Å; P249-I255 HydrophobicContact CB-CD1 3.9Å; P249-I255 HydrophobicContact CB-CG2 4.34Å; P249-I255 WeakPolarHBondContact O-CD1 3.3Å; P249-I255 WeakPolarHBondContact O-CG1 3.24Å; P249-C522 VanDerWaalsContact CD-CB 3.49Å
250	W	65.6	Low	68.8	Low	199 Å²	199	64.2 Å²	64.2	75%	0.754	34%	0.343	S	S	*	.			trans	-94.6	68.4	-170.7	-45.4	109.1	0	0	0	111.7	N247 W248	N247-W250 CarbonylContact O-C 3.53Å; N247-W250 VanDerWaalsContact O-C 3.31Å; N247-W250 VanDerWaalsContact O-CA 3.29Å; N247-W250 WeakPolarHBondContact O-CA 3.35Å; N247-W250 PolarHBondContact O-N 2.68Å; W248-W250 VanDerWaalsContact C-N 3.3Å
251	L	58.5	Low	68.1	Low	33 Å²	33	65.4 Å²	65.4	17%	0.173	36%	0.363	C	S	.	.	S	Bend	trans	-95.6	103.7	155.5	-110.5	83.9	0	0	0	108.1	N247 P249 G253 I254	N247-L251 HydrophobicContact CB-CD1 4.08Å; P249-L251 PolarHBondContact O-N 2.94Å; L251-G253 VanDerWaalsContact C-N 3.35Å; L251-G253 PolarHBondContact O-N 3.25Å; L251-I254 HydrophobicContact CB-CD1 4.21Å; L251-I254 HydrophobicContact CD2-CD1 4.15Å; L251-I254 PolarHBondContact O-N 3.49Å
252	N	46.8	Very low	67.5	Low	147 Å²	147	65.9 Å²	65.9	79%	0.786	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-3.3	78	172.3	-69.4	-11.9	0	0	0	115.1	I254	N252-I254 PolarHBondContact O-N 2.93Å
253	G	46.7	Very low	66.8	Low	70 Å²	70	66.1 Å²	66.1	72%	0.722	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	1.2	171.5	0	0	0	0	0	118.8	L251	L251-G253 VanDerWaalsContact C-N 3.35Å; L251-G253 PolarHBondContact O-N 3.25Å
254	I	48.7	Very low	66.7	Low	26 Å²	26	61 Å²	61	13%	0.133	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-32.4	-169.3	-64.6	153.6	0	0	0	113.3	L251 N252 N256 V257 P387	L251-I254 HydrophobicContact CB-CD1 4.21Å; L251-I254 HydrophobicContact CD2-CD1 4.15Å; L251-I254 PolarHBondContact O-N 3.49Å; N252-I254 PolarHBondContact O-N 2.93Å; I254-N256 VanDerWaalsContact C-N 3.29Å; I254-N256 PolarHBondContact O-N 2.79Å; I254-V257 PolarHBondContact O-N 3.39Å; I254-P387 HydrophobicContact CD1-CB 3.57Å; I254-P387 HydrophobicContact CD1-CG 4.19Å; I254-P387 WeakPolarHBondContact CD1-O 3.34Å; I254-P387 HydrophobicContact CG1-CB 3.82Å; I254-P387 HydrophobicContact CG1-CG 4.16Å; I254-P387 HydrophobicContact CG2-CG 4.04Å
255	I	49.4	Very low	66.7	Low	33 Å²	33	63.6 Å²	63.6	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-70.4	-27.3	-168.6	-54.4	-147.5	0	0	0	112.3	W248 P249 V257 C259	W248-I255 HydrophobicContact CD2-CD1 4.03Å; W248-I255 HydrophobicContact CE3-CD1 3.53Å; W248-I255 HydrophobicContact CH2-CD1 4.1Å; W248-I255 HydrophobicContact CH2-CG2 4.36Å; W248-I255 HydrophobicContact CZ3-CD1 3.56Å; P249-I255 VanDerWaalsContact CA-CD1 3.4Å; P249-I255 HydrophobicContact CB-CD1 3.9Å; P249-I255 HydrophobicContact CB-CG2 4.34Å; P249-I255 WeakPolarHBondContact O-CD1 3.3Å; P249-I255 WeakPolarHBondContact O-CG1 3.24Å; I255-V257 VanDerWaalsContact C-N 3.27Å; I255-V257 PolarHBondContact O-N 3.3Å; I255-C259 HydrophobicContact CG2-CB 4.22Å
256	N	48.7	Very low	66.4	Low	163 Å²	163	64.9 Å²	64.9	87%	0.872	36%	0.362	S	S	*	.	H	α-helix	trans	-71.7	-12.8	-178.8	-85.8	-10.5	0	0	0	115	I254	I254-N256 VanDerWaalsContact C-N 3.29Å; I254-N256 PolarHBondContact O-N 2.79Å
257	V	48	Very low	66.2	Low	114 Å²	114	64.1 Å²	64.1	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-122.3	-25.4	-172.4	-169.8	0	0	0	0	114	I254 I255	I254-V257 PolarHBondContact O-N 3.39Å; I255-V257 VanDerWaalsContact C-N 3.27Å; I255-V257 PolarHBondContact O-N 3.3Å
258	A	50.6	Low	66.4	Low	59 Å²	59	61.9 Å²	61.9	49%	0.488	34%	0.343	S	S	.	.	H	α-helix	trans	-124.4	-5.1	-168.1	0	0	0	0	0	116.5
259	C	62.6	Low	66.7	Low	41 Å²	41	63.6 Å²	63.6	28%	0.277	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-101.4	121.5	-173.3	-64.8	0	0	0	0	111.6	I255 F263	I255-C259 HydrophobicContact CG2-CB 4.22Å; C259-F263 HydrophobicContact CB-CB 4.41Å; C259-F263 HydrophobicContact CB-CD1 4.23Å; C259-F263 HydrophobicContact CB-CG 4.44Å
260	Y	66.9	Low	67.3	Low	55 Å²	55	62 Å²	62	22%	0.216	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-85.7	164.1	167.8	62.3	-89.4	0	0	0	110.5	G262 F263 D266 F371	Y260-G262 PolarHBondContact O-N 3.47Å; Y260-F263 HydrophobicContact CE1-CB 4.19Å; Y260-F263 AromaticContact CE1-CD2 3.9Å; Y260-F263 HydrophobicContact CE1-CD2 3.9Å; Y260-F263 HydrophobicContact CE2-CB 4.12Å; Y260-F263 VanDerWaalsContact O-CB 3.27Å; Y260-F263 WeakPolarHBondContact O-CB 3.46Å; Y260-F263 PolarHBondContact O-N 2.92Å; Y260-F263 VanDerWaalsContact O-N 3.15Å; Y260-D266 WeakPolarHBondContact CE2-OD2 3.48Å; Y260-D266 PolarHBondContact OH-OD2 3.41Å; Y260-F371 HydrophobicContact CE1-CB 4.03Å; Y260-F371 WeakPolarHBondContact OH-CB 3.46Å
261	V	70.3	Confident	68.5	Low	139 Å²	139	52.5 Å²	52.5	84%	0.842	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	124	-180	179.7	0	0	0	0	111
262	G	75.9	Confident	70	Confident	9 Å²	9	53.7 Å²	53.7	9%	0.093	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-0.6	-179	0	0	0	0	0	114.5	Y260 E264 R265 D266	Y260-G262 PolarHBondContact O-N 3.47Å; G262-E264 VanDerWaalsContact C-OE2 3.31Å; G262-E264 WeakPolarHBondContact CA-OE1 3.49Å; G262-E264 WeakPolarHBondContact CA-OE2 3.42Å; G262-E264 PolarHBondContact N-OE2 3.07Å; G262-E264 PolarHBondContact O-N 3.46Å; G262-R265 WeakPolarHBondContact O-CB 3.43Å; G262-R265 PolarHBondContact O-N 3.31Å; G262-D266 PolarHBondContact O-N 2.91Å; G262-D266 VanDerWaalsContact O-N 3.11Å
263	F	78.5	Confident	71.9	Confident	16 Å²	16	50 Å²	50	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-52	-42.1	174.1	174.3	-105	0	0	0	112.3	W248 C259 Y260 R265 D266 V267 F371 L386	W248-F263 HydrophobicContact CH2-CD1 4.15Å; W248-F263 AromaticContact CZ3-CD1 3.85Å; W248-F263 HydrophobicContact CZ3-CD1 3.85Å; W248-F263 HydrophobicContact CZ3-CE1 4.36Å; C259-F263 HydrophobicContact CB-CB 4.41Å; C259-F263 HydrophobicContact CB-CD1 4.23Å; C259-F263 HydrophobicContact CB-CG 4.44Å; Y260-F263 HydrophobicContact CE1-CB 4.19Å; Y260-F263 AromaticContact CE1-CD2 3.9Å; Y260-F263 HydrophobicContact CE1-CD2 3.9Å; Y260-F263 HydrophobicContact CE2-CB 4.12Å; Y260-F263 VanDerWaalsContact O-CB 3.27Å; Y260-F263 WeakPolarHBondContact O-CB 3.46Å; Y260-F263 PolarHBondContact O-N 2.92Å; Y260-F263 VanDerWaalsContact O-N 3.15Å; F263-R265 VanDerWaalsContact C-N 3.26Å; F263-R265 PolarHBondContact O-N 2.8Å; F263-D266 PolarHBondContact O-N 3.04Å; F263-D266 VanDerWaalsContact O-N 3.14Å; F263-V267 HydrophobicContact CD1-CG2 4.13Å; F263-V267 HydrophobicContact CD2-CG2 4.3Å; F263-V267 HydrophobicContact CE1-CG2 3.7Å; F263-V267 HydrophobicContact CE2-CG2 3.88Å; F263-V267 HydrophobicContact CG-CG2 4.43Å; F263-V267 HydrophobicContact CZ-CG2 3.55Å; F263-V267 WeakPolarHBondContact O-CG2 3.25Å; F263-V267 PolarHBondContact O-N 3.25Å; F263-F371 HydrophobicContact CE2-CD2 4.26Å; F263-F371 HydrophobicContact CE2-CE2 4.39Å; F263-L386 HydrophobicContact CZ-CD2 4.09Å
264	E	83.3	Confident	73.9	Confident	22 Å²	22	48.5 Å²	48.5	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-36.3	176.9	73.2	-64.7	159.5	0	0	113	L245 W248 G262 F268 L523 L525	L245-E264 HydrophobicContact CD2-CB 3.9Å; L245-E264 WeakPolarHBondContact CD2-O 3.49Å; W248-E264 HydrophobicContact CD2-CB 4.2Å; W248-E264 HydrophobicContact CE3-CB 4.13Å; W248-E264 HydrophobicContact CH2-CB 3.95Å; W248-E264 HydrophobicContact CZ2-CB 4.01Å; W248-E264 HydrophobicContact CZ2-CG 4.41Å; W248-E264 HydrophobicContact CZ3-CB 4.01Å; G262-E264 VanDerWaalsContact C-OE2 3.31Å; G262-E264 WeakPolarHBondContact CA-OE1 3.49Å; G262-E264 WeakPolarHBondContact CA-OE2 3.42Å; G262-E264 PolarHBondContact N-OE2 3.07Å; G262-E264 PolarHBondContact O-N 3.46Å; E264-F268 WeakPolarHBondContact O-CB 3.38Å; E264-F268 PolarHBondContact O-N 3.13Å; E264-L523 HydrophobicContact CB-CD1 3.75Å; E264-L523 HydrophobicContact CG-CD1 3.7Å; E264-L525 HydrophobicContact CG-CD2 4.39Å
265	R	84.7	Confident	75.9	Confident	57 Å²	57	47.3 Å²	47.3	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-74.5	-34.6	177.5	-66.2	172.3	-179.5	137.4	4.7	111.7	G262 F263 F268 T269 L525	G262-R265 WeakPolarHBondContact O-CB 3.43Å; G262-R265 PolarHBondContact O-N 3.31Å; F263-R265 VanDerWaalsContact C-N 3.26Å; F263-R265 PolarHBondContact O-N 2.8Å; R265-F268 PolarHBondContact O-N 3.2Å; R265-T269 WeakPolarHBondContact O-CB 3.35Å; R265-T269 PolarHBondContact O-N 3.15Å; R265-T269 PolarHBondContact O-OG1 3.37Å; R265-L525 PolarHBondContact NE-O 2.97Å
266	D	81.5	Confident	77.7	Confident	27 Å²	27	47.4 Å²	47.4	14%	0.144	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-43.8	175.9	-68.6	-25.9	0	0	0	111.3	Y260 G262 F263 F268 T269 T270 S369 F371	Y260-D266 WeakPolarHBondContact CE2-OD2 3.48Å; Y260-D266 PolarHBondContact OH-OD2 3.41Å; G262-D266 PolarHBondContact O-N 2.91Å; G262-D266 VanDerWaalsContact O-N 3.11Å; F263-D266 PolarHBondContact O-N 3.04Å; F263-D266 VanDerWaalsContact O-N 3.14Å; D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 3.33Å; D266-T269 PolarHBondContact O-N 3.36Å; D266-T270 PolarHBondContact O-N 3.45Å; D266-T270 PolarHBondContact O-OG1 2.67Å; D266-T270 VanDerWaalsContact O-OG1 3.12Å; D266-S369 WeakPolarHBondContact OD2-CB 3.41Å; D266-S369 PolarHBondContact OD2-OG 3.09Å; D266-F371 HydrophobicContact CB-CD1 3.58Å; D266-F371 HydrophobicContact CB-CE1 4.04Å; D266-F371 HydrophobicContact CB-CG 4.38Å
267	V	85.7	Confident	79.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-46.6	172	176.5	0	0	0	0	110.2	L245 F263 T270 L271 L383	L245-V267 HydrophobicContact CD1-CG1 4.03Å; L245-V267 HydrophobicContact CD2-CB 4.21Å; L245-V267 HydrophobicContact CD2-CG1 4.2Å; L245-V267 HydrophobicContact CG-CB 4.42Å; L245-V267 HydrophobicContact CG-CG1 3.9Å; F263-V267 HydrophobicContact CD1-CG2 4.13Å; F263-V267 HydrophobicContact CD2-CG2 4.3Å; F263-V267 HydrophobicContact CE1-CG2 3.7Å; F263-V267 HydrophobicContact CE2-CG2 3.88Å; F263-V267 HydrophobicContact CG-CG2 4.43Å; F263-V267 HydrophobicContact CZ-CG2 3.55Å; F263-V267 WeakPolarHBondContact O-CG2 3.25Å; F263-V267 PolarHBondContact O-N 3.25Å; V267-T270 PolarHBondContact O-N 3.03Å; V267-L271 HydrophobicContact CG1-CD1 4.09Å; V267-L271 VanDerWaalsContact O-CG 3.32Å; V267-L271 WeakPolarHBondContact O-CG 3.41Å; V267-L271 PolarHBondContact O-N 3.21Å; V267-L383 HydrophobicContact CG1-CD2 4.05Å; V267-L383 HydrophobicContact CG2-CD2 3.98Å
268	F	89.5	Confident	80.9	Confident	24 Å²	24	41 Å²	41	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.8	171.9	-102.8	0	0	0	111.9	L245 E264 R265 D266 T270 L271 H272 L525 L536 M537 A540 F541	L245-F268 HydrophobicContact CD1-CB 3.81Å; L245-F268 HydrophobicContact CD1-CD2 4.44Å; E264-F268 WeakPolarHBondContact O-CB 3.38Å; E264-F268 PolarHBondContact O-N 3.13Å; R265-F268 PolarHBondContact O-N 3.2Å; D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 3.33Å; F268-T270 VanDerWaalsContact C-N 3.34Å; F268-T270 PolarHBondContact O-N 3.22Å; F268-L271 PolarHBondContact O-N 2.68Å; F268-H272 WeakPolarHBondContact O-CB 3.34Å; F268-H272 PolarHBondContact O-N 2.76Å; F268-L525 HydrophobicContact CB-CD1 4.45Å; F268-L525 HydrophobicContact CB-CD2 3.89Å; F268-L525 HydrophobicContact CD2-CD1 3.75Å; F268-L525 HydrophobicContact CE2-CD1 4.14Å; F268-L525 HydrophobicContact CG-CD1 3.98Å; F268-L525 HydrophobicContact CG-CD2 4.2Å; F268-L536 HydrophobicContact CE1-CD2 3.8Å; F268-L536 HydrophobicContact CE2-CD2 3.98Å; F268-L536 HydrophobicContact CZ-CD2 3.43Å; F268-L536 VanDerWaalsContact CZ-CD2 3.43Å; F268-M537 HydrophobicContact CD2-SD 3.96Å; F268-M537 HydrophobicContact CE2-CE 4.44Å; F268-M537 HydrophobicContact CE2-SD 3.43Å; F268-M537 WeakPolarHBondContact CE2-SD 3.4Å; F268-M537 HydrophobicContact CZ-SD 4.38Å; F268-A540 HydrophobicContact CE2-CB 4.48Å; F268-A540 HydrophobicContact CZ-CB 3.75Å; F268-F541 AromaticContact CE2-CE2 3.91Å; F268-F541 HydrophobicContact CE2-CE2 3.91Å; F268-F541 HydrophobicContact CE2-CZ 4.28Å
269	T	86.2	Confident	82.2	Confident	67 Å²	67	41.5 Å²	41.5	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-43.5	179.8	-58.4	0	0	0	0	111	R265 D266 H272 E273	R265-T269 WeakPolarHBondContact O-CB 3.35Å; R265-T269 PolarHBondContact O-N 3.15Å; R265-T269 PolarHBondContact O-OG1 3.37Å; D266-T269 PolarHBondContact O-N 3.36Å; T269-H272 PolarHBondContact O-N 2.78Å; T269-E273 VanDerWaalsContact O-CB 3.29Å; T269-E273 WeakPolarHBondContact O-CB 3.47Å; T269-E273 PolarHBondContact O-N 2.9Å
270	T	85.4	Confident	83.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-42.5	175.7	-61.8	0	0	0	0	112.8	W237 D266 V267 F268 Y274 F376 R379 L383	W237-T270 HydrophobicContact CH2-CG2 4.43Å; W237-T270 HydrophobicContact CZ3-CG2 3.97Å; D266-T270 PolarHBondContact O-N 3.45Å; D266-T270 PolarHBondContact O-OG1 2.67Å; D266-T270 VanDerWaalsContact O-OG1 3.12Å; V267-T270 PolarHBondContact O-N 3.03Å; F268-T270 VanDerWaalsContact C-N 3.34Å; F268-T270 PolarHBondContact O-N 3.22Å; T270-Y274 WeakPolarHBondContact O-CB 3.47Å; T270-Y274 PolarHBondContact O-N 3.36Å; T270-F376 HydrophobicContact CG2-CE2 4.37Å; T270-R379 HydrophobicContact CG2-CB 3.99Å; T270-R379 WeakPolarHBondContact OG1-CD 3.27Å; T270-R379 PolarHBondContact OG1-NH1 2.94Å; T270-L383 HydrophobicContact CG2-CD1 3.74Å
271	L	90.8	Very high	83.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-43.8	176.6	-69.2	170.4	0	0	0	111.3	W237 A238 M242 L245 V267 F268 Y274 F275 F513	W237-L271 HydrophobicContact CZ3-CD2 4.22Å; A238-L271 HydrophobicContact CB-CD2 4.11Å; M242-L271 HydrophobicContact CG-CD1 4.11Å; M242-L271 HydrophobicContact CG-CD2 4.08Å; L245-L271 HydrophobicContact CD1-CD1 3.9Å; V267-L271 HydrophobicContact CG1-CD1 4.09Å; V267-L271 VanDerWaalsContact O-CG 3.32Å; V267-L271 WeakPolarHBondContact O-CG 3.41Å; V267-L271 PolarHBondContact O-N 3.21Å; F268-L271 PolarHBondContact O-N 2.68Å; L271-Y274 PolarHBondContact O-N 2.86Å; L271-F275 HydrophobicContact CB-CD2 4.49Å; L271-F275 HydrophobicContact CD2-CE2 4.34Å; L271-F275 WeakPolarHBondContact O-CD2 3.44Å; L271-F275 PolarHBondContact O-N 3.04Å; L271-F513 HydrophobicContact CD1-CE1 4.43Å; L271-F513 HydrophobicContact CD1-CE2 4.38Å; L271-F513 HydrophobicContact CD1-CZ 3.81Å
272	H	89.6	Confident	84.3	Confident	58 Å²	58	37 Å²	37	27%	0.269	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-50.6	177.1	173.6	-109.4	0	0	0	111.1	F268 T269 Y274 F275 T276 A540 F541	F268-H272 WeakPolarHBondContact O-CB 3.34Å; F268-H272 PolarHBondContact O-N 2.76Å; T269-H272 PolarHBondContact O-N 2.78Å; H272-Y274 PolarHBondContact O-N 2.9Å; H272-F275 PolarHBondContact O-N 3.44Å; H272-T276 WeakPolarHBondContact O-CB 3.37Å; H272-T276 WeakPolarHBondContact O-CG2 3.43Å; H272-T276 PolarHBondContact O-N 3.49Å; H272-T276 PolarHBondContact O-OG1 2.88Å; H272-A540 PolarHBondContact CD2-O 3.21Å; H272-A540 PolarHBondContact NE2-O 2.86Å; H272-F541 HydrophobicContact CB-CZ 4.48Å
273	E	86.6	Confident	84.9	Confident	70 Å²	70	36.7 Å²	36.7	33%	0.327	22%	0.216	S	C	.	.	H	α-helix	trans	-54.8	-43.3	176.7	-176.1	-178.3	164	0	0	110.7	T269 T276 S277 F376 R379	T269-E273 VanDerWaalsContact O-CB 3.29Å; T269-E273 WeakPolarHBondContact O-CB 3.47Å; T269-E273 PolarHBondContact O-N 2.9Å; E273-T276 CarbonylContact O-C 3.54Å; E273-T276 PolarHBondContact O-OG1 3.41Å; E273-S277 WeakPolarHBondContact O-CB 3.47Å; E273-S277 PolarHBondContact O-N 3.19Å; E273-S277 PolarHBondContact O-OG 3.31Å; E273-F376 HydrophobicContact CG-CD2 4.37Å; E273-R379 VanDerWaalsContact CD-NH2 3.29Å; E273-R379 IonicContact OE1-NH2 3.12Å; E273-R379 PolarHBondContact OE1-NH2 3.11Å; E273-R379 VanDerWaalsContact OE1-NH2 3.12Å; E273-R379 IonicContact OE2-CZ 3.21Å; E273-R379 IonicContact OE2-NH1 2.82Å; E273-R379 PolarHBondContact OE2-NH1 2.77Å; E273-R379 IonicContact OE2-NH2 2.69Å; E273-R379 PolarHBondContact OE2-NH2 2.93Å
274	Y	89.6	Confident	85.5	Confident	38 Å²	38	36 Å²	36	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-52.3	179.1	175.5	-113.6	0	0	0	113.9	P235 W237 A238 T270 L271 H272 T276 S277 C280 F376 W506	P235-Y274 WeakPolarHBondContact CD-OH 3.35Å; P235-Y274 HydrophobicContact CG-CE1 3.93Å; P235-Y274 HydrophobicContact CG-CE2 4.45Å; P235-Y274 WeakPolarHBondContact CG-OH 3.33Å; W237-Y274 AromaticContact CH2-CD1 3.8Å; W237-Y274 HydrophobicContact CH2-CD1 3.8Å; W237-Y274 AromaticContact CH2-CD2 3.89Å; W237-Y274 HydrophobicContact CH2-CD2 3.89Å; W237-Y274 HydrophobicContact CH2-CE1 4.47Å; W237-Y274 AromaticContact CH2-CG 3.46Å; W237-Y274 HydrophobicContact CH2-CG 3.46Å; W237-Y274 VanDerWaalsContact CH2-CG 3.46Å; W237-Y274 AromaticContact CZ2-CD1 3.97Å; W237-Y274 HydrophobicContact CZ2-CD1 3.97Å; W237-Y274 AromaticContact CZ2-CD2 3.62Å; W237-Y274 HydrophobicContact CZ2-CD2 3.62Å; W237-Y274 HydrophobicContact CZ2-CE1 4.23Å; W237-Y274 AromaticContact CZ2-CE2 3.9Å; W237-Y274 HydrophobicContact CZ2-CE2 3.9Å; W237-Y274 AromaticContact CZ2-CG 3.65Å; W237-Y274 HydrophobicContact CZ2-CG 3.65Å; A238-Y274 HydrophobicContact CB-CD1 4.2Å; A238-Y274 HydrophobicContact CB-CE1 4.11Å; T270-Y274 WeakPolarHBondContact O-CB 3.47Å; T270-Y274 PolarHBondContact O-N 3.36Å; L271-Y274 PolarHBondContact O-N 2.86Å; H272-Y274 PolarHBondContact O-N 2.9Å; Y274-T276 PolarHBondContact O-N 3.36Å; Y274-S277 VanDerWaalsContact O-CB 3.27Å; Y274-S277 WeakPolarHBondContact O-CB 3.14Å; Y274-S277 PolarHBondContact O-N 3.36Å; Y274-S277 VanDerWaalsContact O-N 3.11Å; Y274-C280 PolarHBondContact O-SG 3.45Å; Y274-F376 AromaticContact CD2-CZ 3.75Å; Y274-F376 HydrophobicContact CD2-CZ 3.75Å; Y274-F376 HydrophobicContact CG-CZ 4.24Å; Y274-W506 HydrophobicContact CE1-CH2 4.3Å; Y274-W506 HydrophobicContact CE1-CZ3 4.36Å; Y274-W506 WeakPolarHBondContact OH-CH2 3.13Å
275	F	90.7	Very high	85.9	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-19.5	-178.7	-74	-64.5	0	0	0	113.1	V234 M242 L271 H272 F284 W506 F541 C544	V234-F275 HydrophobicContact CG1-CE1 4.36Å; V234-F275 HydrophobicContact CG1-CZ 4.05Å; V234-F275 HydrophobicContact CG2-CE1 4.45Å; M242-F275 HydrophobicContact CE-CZ 4.35Å; M242-F275 HydrophobicContact CG-CE2 4.4Å; M242-F275 HydrophobicContact SD-CE2 3.91Å; M242-F275 HydrophobicContact SD-CZ 3.72Å; L271-F275 HydrophobicContact CB-CD2 4.49Å; L271-F275 HydrophobicContact CD2-CE2 4.34Å; L271-F275 WeakPolarHBondContact O-CD2 3.44Å; L271-F275 PolarHBondContact O-N 3.04Å; H272-F275 PolarHBondContact O-N 3.44Å; F275-F284 HydrophobicContact CB-CZ 4.41Å; F275-F284 HydrophobicContact CD1-CE2 4.31Å; F275-F284 AromaticContact CD1-CZ 3.64Å; F275-F284 HydrophobicContact CD1-CZ 3.64Å; F275-F284 HydrophobicContact CE1-CZ 4.3Å; F275-F284 HydrophobicContact CG-CZ 4.37Å; F275-W506 HydrophobicContact CD1-CE3 4.24Å; F275-W506 AromaticContact CD1-CZ3 3.96Å; F275-W506 HydrophobicContact CD1-CZ3 3.96Å; F275-W506 AromaticContact CE1-CE3 3.9Å; F275-W506 HydrophobicContact CE1-CE3 3.9Å; F275-W506 AromaticContact CE1-CZ3 3.75Å; F275-W506 HydrophobicContact CE1-CZ3 3.75Å; F275-F541 HydrophobicContact CB-CD1 4.18Å; F275-F541 HydrophobicContact CB-CE1 3.89Å; F275-F541 AromaticContact CD2-CE1 3.91Å; F275-F541 HydrophobicContact CD2-CE1 3.91Å; F275-F541 HydrophobicContact CG-CE1 4.27Å; F275-C544 PolarHBondContact O-SG 3.37Å
276	T	87.1	Confident	86.2	Confident	34 Å²	34	34.2 Å²	34.2	21%	0.209	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	2.1	172.7	61.7	0	0	0	0	113.4	H272 E273 Y274 F547	H272-T276 WeakPolarHBondContact O-CB 3.37Å; H272-T276 WeakPolarHBondContact O-CG2 3.43Å; H272-T276 PolarHBondContact O-N 3.49Å; H272-T276 PolarHBondContact O-OG1 2.88Å; E273-T276 CarbonylContact O-C 3.54Å; E273-T276 PolarHBondContact O-OG1 3.41Å; Y274-T276 PolarHBondContact O-N 3.36Å; T276-F547 WeakPolarHBondContact O-CZ 3.45Å
277	S	86.2	Confident	86.5	Confident	41 Å²	41	35.3 Å²	35.3	29%	0.287	22%	0.22	S	C	.	.	S	Bend	trans	-68.3	149.2	172.5	-69	0	0	0	0	110.2	E273 Y274 G279 C280	E273-S277 WeakPolarHBondContact O-CB 3.47Å; E273-S277 PolarHBondContact O-N 3.19Å; E273-S277 PolarHBondContact O-OG 3.31Å; Y274-S277 VanDerWaalsContact O-CB 3.27Å; Y274-S277 WeakPolarHBondContact O-CB 3.14Å; Y274-S277 PolarHBondContact O-N 3.36Å; Y274-S277 VanDerWaalsContact O-N 3.11Å; S277-G279 PolarHBondContact O-N 3.4Å; S277-G279 VanDerWaalsContact O-N 3.12Å; S277-C280 PolarHBondContact O-N 2.95Å
278	S	77.2	Confident	86.5	Confident	102 Å²	102	38.5 Å²	38.5	71%	0.713	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-54.5	-31.9	175.7	51.3	0	0	0	0	113	C280 S281	S278-C280 PolarHBondContact O-N 3.28Å; S278-C280 VanDerWaalsContact O-N 3.1Å; S278-S281 WeakPolarHBondContact O-CB 3.4Å; S278-S281 PolarHBondContact O-N 2.97Å; S278-S281 VanDerWaalsContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.15Å
279	G	78.3	Confident	86.7	Confident	69 Å²	69	37.5 Å²	37.5	71%	0.711	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-64.3	-11.7	175.7	0	0	0	0	0	115.4	S277	S277-G279 PolarHBondContact O-N 3.4Å; S277-G279 VanDerWaalsContact O-N 3.12Å
280	C	83.1	Confident	86.9	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.02	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-106.4	3	177.2	-68.7	0	0	0	0	113.3	Y274 S277 S278 D282 C283 F284	Y274-C280 PolarHBondContact O-SG 3.45Å; S277-C280 PolarHBondContact O-N 2.95Å; S278-C280 PolarHBondContact O-N 3.28Å; S278-C280 VanDerWaalsContact O-N 3.1Å; C280-D282 PolarHBondContact O-N 3Å; C280-C283 WeakPolarHBondContact O-CB 3.37Å; C280-C283 PolarHBondContact O-N 3.21Å; C280-C283 VanDerWaalsContact O-N 3.09Å; C280-F284 HydrophobicContact CB-CE2 4.46Å
281	S	76.9	Confident	87.2	Confident	27 Å²	27	38.2 Å²	38.2	19%	0.189	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.2	-39.8	-176.5	62.4	0	0	0	0	112.7	S278 C283	S278-S281 WeakPolarHBondContact O-CB 3.4Å; S278-S281 PolarHBondContact O-N 2.97Å; S278-S281 VanDerWaalsContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.15Å; S281-C283 VanDerWaalsContact C-N 3.32Å; S281-C283 PolarHBondContact O-N 2.93Å
282	D	84	Confident	87.3	Confident	111 Å²	111	38.2 Å²	38.2	59%	0.594	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-89.4	1.8	-175.1	-59.7	-13.7	0	0	0	113.2	C280 N503 H548	C280-D282 PolarHBondContact O-N 3Å; D282-N503 PolarHBondContact O-ND2 3.05Å; D282-H548 IonicContact OD1-NE2 3.86Å
283	C	88.1	Confident	87.6	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.02	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-85.9	-12.2	-174.2	-66.9	0	0	0	0	113.9	C280 S281 K502 N503 W506	C280-C283 WeakPolarHBondContact O-CB 3.37Å; C280-C283 PolarHBondContact O-N 3.21Å; C280-C283 VanDerWaalsContact O-N 3.09Å; S281-C283 VanDerWaalsContact C-N 3.32Å; S281-C283 PolarHBondContact O-N 2.93Å; C283-K502 VanDerWaalsContact SG-CE 3.51Å; C283-N503 WeakPolarHBondContact O-CA 3.16Å; C283-W506 HydrophobicContact CB-CD2 3.57Å; C283-W506 HydrophobicContact CB-CE3 3.38Å; C283-W506 HydrophobicContact CB-CG 4.12Å; C283-W506 HydrophobicContact CB-CH2 4.19Å; C283-W506 HydrophobicContact CB-CZ2 4.37Å; C283-W506 HydrophobicContact CB-CZ3 3.71Å; C283-W506 WeakPolarHBondContact O-CB 3.49Å
284	F	91.6	Very high	87.8	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	20%	0.204	C	C	.	.	S	Bend	trans	-112.5	-123.9	-172.2	-64.1	-71.1	0	0	0	112.6	F275 C280 P286 N503 W506 L510 C544 F545	F275-F284 HydrophobicContact CB-CZ 4.41Å; F275-F284 HydrophobicContact CD1-CE2 4.31Å; F275-F284 AromaticContact CD1-CZ 3.64Å; F275-F284 HydrophobicContact CD1-CZ 3.64Å; F275-F284 HydrophobicContact CE1-CZ 4.3Å; F275-F284 HydrophobicContact CG-CZ 4.37Å; C280-F284 HydrophobicContact CB-CE2 4.46Å; F284-P286 WeakPolarHBondContact O-CD 3.4Å; F284-N503 WeakPolarHBondContact O-CB 3.17Å; F284-N503 PolarHBondContact O-ND2 3.22Å; F284-W506 HydrophobicContact CD1-CB 4.44Å; F284-W506 HydrophobicContact CE1-CB 4.32Å; F284-W506 HydrophobicContact CE1-CE3 4.42Å; F284-W506 HydrophobicContact CZ-CE3 4.14Å; F284-L510 HydrophobicContact CD1-CD2 4.11Å; F284-L510 HydrophobicContact CE1-CB 4.03Å; F284-L510 HydrophobicContact CE1-CD2 3.31Å; F284-L510 HydrophobicContact CE1-CG 4.29Å; F284-L510 HydrophobicContact CZ-CD2 3.6Å; F284-C544 HydrophobicContact CD2-CB 3.74Å; F284-C544 WeakPolarHBondContact CD2-O 2.9Å; F284-C544 HydrophobicContact CE2-CB 3.66Å; F284-C544 HydrophobicContact CG-CB 4.28Å; F284-C544 HydrophobicContact CZ-CB 4.16Å; F284-F545 HydrophobicContact CB-CD1 3.81Å; F284-F545 HydrophobicContact CB-CE1 3.86Å; F284-F545 HydrophobicContact CD1-CD1 4.46Å; F284-F545 AromaticContact CD1-CE1 3.68Å; F284-F545 HydrophobicContact CD1-CE1 3.68Å; F284-F545 HydrophobicContact CD1-CZ 4.18Å; F284-F545 HydrophobicContact CG-CD1 4.32Å; F284-F545 AromaticContact CG-CE1 3.97Å; F284-F545 HydrophobicContact CG-CE1 3.97Å
285	I	92.1	Very high	88	Confident	11 Å²	11	32.1 Å²	32.1	6%	0.056	21%	0.207	C	C	.	.			trans	-91.7	115.4	-179.5	-60.1	170	0	0	0	107.9	F289 Y290 F293 L507 F545 L560 L564	I285-F289 HydrophobicContact CG2-CB 3.86Å; I285-Y290 HydrophobicContact CG2-CD2 4.48Å; I285-F293 HydrophobicContact CD1-CD2 4.03Å; I285-F293 HydrophobicContact CD1-CE2 4.33Å; I285-F293 HydrophobicContact CG1-CD2 4.46Å; I285-F293 HydrophobicContact CG1-CE2 4.4Å; I285-F293 HydrophobicContact CG2-CD2 3.84Å; I285-F293 HydrophobicContact CG2-CE2 4.07Å; I285-L507 HydrophobicContact CD1-CD2 4.24Å; I285-L507 HydrophobicContact CG1-CD1 3.84Å; I285-L507 HydrophobicContact CG1-CD2 4.03Å; I285-L507 HydrophobicContact CG1-CG 4.44Å; I285-F545 HydrophobicContact CD1-CD1 3.78Å; I285-F545 HydrophobicContact CD1-CG 4.44Å; I285-F545 HydrophobicContact CG1-CD1 3.91Å; I285-L560 HydrophobicContact CD1-CD2 4.39Å; I285-L564 HydrophobicContact CD1-CD1 4.1Å
286	P	91	Very high	88.2	Confident	30 Å²	30	32 Å²	32	20%	0.195	21%	0.206	C	C	.	.			trans	-61.2	150	172.7	-18.5	31.3	0	0	0	110.9	F284 H288 F289 Y290	F284-P286 WeakPolarHBondContact O-CD 3.4Å; P286-H288 VanDerWaalsContact C-N 3.31Å; P286-H288 PolarHBondContact O-N 3.36Å; P286-H288 VanDerWaalsContact O-N 3.17Å; P286-F289 HydrophobicContact CB-CD2 3.97Å; P286-F289 HydrophobicContact CG-CD2 3.81Å; P286-F289 HydrophobicContact CG-CE2 4.34Å; P286-F289 PolarHBondContact O-N 3.29Å; P286-Y290 PolarHBondContact O-N 3.08Å
287	S	87.2	Confident	88.5	Confident	51 Å²	51	30.5 Å²	30.5	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-51.5	-43.5	-171.8	51.4	0	0	0	0	114.3	F289 Y290 H291	S287-F289 VanDerWaalsContact C-N 3.32Å; S287-F289 PolarHBondContact O-N 3.02Å; S287-Y290 WeakPolarHBondContact O-CB 3.17Å; S287-Y290 PolarHBondContact O-N 2.82Å; S287-H291 PolarHBondContact O-CD2 3.13Å
288	H	85.8	Confident	88.9	Confident	66 Å²	66	32 Å²	32	31%	0.306	20%	0.202	S	C	.	.	H	α-helix	trans	-67.3	-29.7	179.4	52.7	-93.2	0	0	0	113.3	P286	P286-H288 VanDerWaalsContact C-N 3.31Å; P286-H288 PolarHBondContact O-N 3.36Å; P286-H288 VanDerWaalsContact O-N 3.17Å
289	F	93	Very high	89.6	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-81.4	-25.2	173.2	-68.5	-75.6	0	0	0	112.5	I202 I207 I285 P286 S287 H291 M292 F293 L498 L499	I202-F289 HydrophobicContact CD1-CD1 3.41Å; I202-F289 VanDerWaalsContact CD1-CD1 3.41Å; I202-F289 HydrophobicContact CD1-CE1 3.45Å; I202-F289 VanDerWaalsContact CD1-CE1 3.45Å; I202-F289 HydrophobicContact CD1-CG 4.44Å; I207-F289 HydrophobicContact CG1-CE1 4.15Å; I207-F289 HydrophobicContact CG1-CZ 4.36Å; I285-F289 HydrophobicContact CG2-CB 3.86Å; P286-F289 HydrophobicContact CB-CD2 3.97Å; P286-F289 HydrophobicContact CG-CD2 3.81Å; P286-F289 HydrophobicContact CG-CE2 4.34Å; P286-F289 PolarHBondContact O-N 3.29Å; S287-F289 VanDerWaalsContact C-N 3.32Å; S287-F289 PolarHBondContact O-N 3.02Å; F289-H291 VanDerWaalsContact C-N 3.35Å; F289-H291 PolarHBondContact O-N 3.42Å; F289-M292 HydrophobicContact CD1-CE 3.89Å; F289-M292 WeakPolarHBondContact O-CB 3.2Å; F289-M292 PolarHBondContact O-N 3.44Å; F289-M292 VanDerWaalsContact O-N 3.17Å; F289-F293 HydrophobicContact CB-CE2 4.35Å; F289-F293 WeakPolarHBondContact O-CD2 2.98Å; F289-F293 PolarHBondContact O-N 2.93Å; F289-F293 VanDerWaalsContact O-N 3.13Å; F289-L498 HydrophobicContact CD1-CB 4.44Å; F289-L498 HydrophobicContact CE1-CB 3.75Å; F289-L498 WeakPolarHBondContact CZ-O 3.46Å; F289-L499 HydrophobicContact CB-CD2 3.59Å; F289-L499 HydrophobicContact CD1-CD2 3.81Å; F289-L499 HydrophobicContact CD2-CD2 3.54Å; F289-L499 HydrophobicContact CE1-CD2 4.36Å; F289-L499 HydrophobicContact CE2-CD2 4.1Å; F289-L499 HydrophobicContact CG-CD2 3.38Å
290	Y	91.6	Very high	90.4	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-44.9	-178.4	-179.1	-96.5	0	0	0	112	I285 P286 S287 M292 F293 L294 F545 A549 S552 S557 L560	I285-Y290 HydrophobicContact CG2-CD2 4.48Å; P286-Y290 PolarHBondContact O-N 3.08Å; S287-Y290 WeakPolarHBondContact O-CB 3.17Å; S287-Y290 PolarHBondContact O-N 2.82Å; Y290-M292 VanDerWaalsContact C-N 3.31Å; Y290-M292 PolarHBondContact O-N 2.9Å; Y290-F293 PolarHBondContact O-N 3.39Å; Y290-L294 HydrophobicContact CD1-CD1 3.94Å; Y290-L294 HydrophobicContact CD1-CG 4.42Å; Y290-L294 HydrophobicContact CE1-CD1 3.31Å; Y290-L294 HydrophobicContact CE1-CG 4Å; Y290-L294 PolarHBondContact O-N 2.93Å; Y290-L294 VanDerWaalsContact O-N 3.09Å; Y290-F545 WeakPolarHBondContact CD2-O 3.08Å; Y290-F545 HydrophobicContact CE2-CB 4.23Å; Y290-F545 WeakPolarHBondContact CE2-O 3.21Å; Y290-A549 HydrophobicContact CD1-CB 3.61Å; Y290-A549 HydrophobicContact CE1-CB 3.7Å; Y290-A549 HydrophobicContact CG-CB 4.34Å; Y290-S552 VanDerWaalsContact CE1-OG 3.24Å; Y290-S552 WeakPolarHBondContact CE1-OG 3.24Å; Y290-S552 PolarHBondContact OH-OG 3.22Å; Y290-S557 PolarHBondContact OH-OG 3.03Å; Y290-L560 HydrophobicContact CD2-CD2 3.98Å; Y290-L560 HydrophobicContact CE2-CD2 3.64Å
291	H	90.3	Very high	90.8	Very high	80 Å²	80	28.2 Å²	28.2	37%	0.37	15%	0.152	S	C	.	.	H	α-helix	trans	-63.9	-35.3	176.3	-66.5	-65.3	0	0	0	112.7	S287 F289 L294 A295	S287-H291 PolarHBondContact O-CD2 3.13Å; F289-H291 VanDerWaalsContact C-N 3.35Å; F289-H291 PolarHBondContact O-N 3.42Å; H291-L294 PolarHBondContact O-N 3.32Å; H291-A295 WeakPolarHBondContact O-CB 3.19Å; H291-A295 PolarHBondContact O-N 3.45Å
292	M	93.7	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-44.6	173.2	177.8	-167.1	67.8	0	0	111.5	L189 I201 I202 F289 Y290 A295 I296 L498	L189-M292 HydrophobicContact CD1-SD 4.12Å; I201-M292 HydrophobicContact CG2-CB 4.14Å; I201-M292 HydrophobicContact CG2-CG 4.07Å; I202-M292 HydrophobicContact CB-CB 4.36Å; I202-M292 HydrophobicContact CB-SD 4.44Å; I202-M292 HydrophobicContact CD1-CB 4.48Å; I202-M292 HydrophobicContact CD1-CE 4.44Å; I202-M292 HydrophobicContact CD1-SD 3.61Å; I202-M292 HydrophobicContact CG2-SD 4.38Å; F289-M292 HydrophobicContact CD1-CE 3.89Å; F289-M292 WeakPolarHBondContact O-CB 3.2Å; F289-M292 PolarHBondContact O-N 3.44Å; F289-M292 VanDerWaalsContact O-N 3.17Å; Y290-M292 VanDerWaalsContact C-N 3.31Å; Y290-M292 PolarHBondContact O-N 2.9Å; M292-A295 PolarHBondContact O-N 3.21Å; M292-I296 HydrophobicContact CG-CD1 4.26Å; M292-I296 VanDerWaalsContact O-CG1 3.31Å; M292-I296 WeakPolarHBondContact O-CG1 3.46Å; M292-I296 PolarHBondContact O-N 3.23Å; M292-L498 HydrophobicContact CE-CD1 4.4Å; M292-L498 HydrophobicContact SD-CD1 3.86Å
293	F	94.8	Very high	91.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-38.9	178.3	-77.1	-73.4	0	0	0	112.9	I285 F289 Y290 I296 L297 L492 L496 L499 L560 L564	I285-F293 HydrophobicContact CD1-CD2 4.03Å; I285-F293 HydrophobicContact CD1-CE2 4.33Å; I285-F293 HydrophobicContact CG1-CD2 4.46Å; I285-F293 HydrophobicContact CG1-CE2 4.4Å; I285-F293 HydrophobicContact CG2-CD2 3.84Å; I285-F293 HydrophobicContact CG2-CE2 4.07Å; F289-F293 HydrophobicContact CB-CE2 4.35Å; F289-F293 WeakPolarHBondContact O-CD2 2.98Å; F289-F293 PolarHBondContact O-N 2.93Å; F289-F293 VanDerWaalsContact O-N 3.13Å; Y290-F293 PolarHBondContact O-N 3.39Å; F293-I296 PolarHBondContact O-N 3Å; F293-L297 PolarHBondContact O-N 3.4Å; F293-L297 VanDerWaalsContact O-N 3.11Å; F293-L492 HydrophobicContact CD1-CD2 3.74Å; F293-L492 HydrophobicContact CE1-CD2 4.23Å; F293-L496 HydrophobicContact CE1-CD2 4.43Å; F293-L496 HydrophobicContact CE1-CG 4.37Å; F293-L496 HydrophobicContact CZ-CD2 4.07Å; F293-L496 HydrophobicContact CZ-CG 4.32Å; F293-L499 HydrophobicContact CE2-CD1 4.13Å; F293-L499 HydrophobicContact CE2-CD2 4.16Å; F293-L499 HydrophobicContact CE2-CG 4.33Å; F293-L499 HydrophobicContact CZ-CD1 4.14Å; F293-L499 HydrophobicContact CZ-CG 4.43Å; F293-L560 HydrophobicContact CB-CD1 3.86Å; F293-L560 HydrophobicContact CB-CD2 4.03Å; F293-L564 HydrophobicContact CD1-CD2 4.39Å
294	L	92.3	Very high	91.8	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-43.5	172.4	-71.4	-178.3	0	0	0	111.8	Y290 H291 I296 L297 D298 D556 L560	Y290-L294 HydrophobicContact CD1-CD1 3.94Å; Y290-L294 HydrophobicContact CD1-CG 4.42Å; Y290-L294 HydrophobicContact CE1-CD1 3.31Å; Y290-L294 HydrophobicContact CE1-CG 4Å; Y290-L294 PolarHBondContact O-N 2.93Å; Y290-L294 VanDerWaalsContact O-N 3.09Å; H291-L294 PolarHBondContact O-N 3.32Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.13Å; L294-L297 WeakPolarHBondContact O-CA 3.5Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.27Å; L294-D298 VanDerWaalsContact O-CG 3.31Å; L294-D298 PolarHBondContact O-N 2.87Å; L294-D556 HydrophobicContact CD1-CB 4.24Å; L294-D556 HydrophobicContact CD2-CB 4.02Å; L294-L560 HydrophobicContact CD2-CB 3.95Å; L294-L560 HydrophobicContact CD2-CD2 4.11Å; L294-L560 HydrophobicContact CD2-CG 4.46Å; L294-L560 HydrophobicContact CG-CD2 4.43Å
295	A	93.1	Very high	91.6	Very high	24 Å²	24	31.4 Å²	31.4	20%	0.198	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-39.5	176.5	0	0	0	0	0	112.1	F193 I201 H291 M292 L297 R299	F193-A295 HydrophobicContact CE1-CB 4Å; F193-A295 HydrophobicContact CZ-CB 4.02Å; I201-A295 HydrophobicContact CG2-CB 4.04Å; H291-A295 WeakPolarHBondContact O-CB 3.19Å; H291-A295 PolarHBondContact O-N 3.45Å; M292-A295 PolarHBondContact O-N 3.21Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.09Å; A295-R299 VanDerWaalsContact O-CB 3.23Å; A295-R299 WeakPolarHBondContact O-CB 3.37Å; A295-R299 PolarHBondContact O-N 3.49Å
296	I	95.7	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-45.5	173.3	-69.6	167.4	0	0	0	110.2	L189 F192 F193 M292 F293 L294 A300 T488 A491 L492	L189-I296 HydrophobicContact CD2-CD1 4.2Å; F192-I296 HydrophobicContact CE1-CB 4.32Å; F192-I296 HydrophobicContact CE1-CG1 4.39Å; F192-I296 HydrophobicContact CE1-CG2 4Å; F192-I296 HydrophobicContact CZ-CG2 4.04Å; F193-I296 HydrophobicContact CE2-CG1 4.15Å; F193-I296 HydrophobicContact CZ-CB 4.46Å; F193-I296 HydrophobicContact CZ-CG1 3.66Å; M292-I296 HydrophobicContact CG-CD1 4.26Å; M292-I296 VanDerWaalsContact O-CG1 3.31Å; M292-I296 WeakPolarHBondContact O-CG1 3.46Å; M292-I296 PolarHBondContact O-N 3.23Å; F293-I296 PolarHBondContact O-N 3Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.13Å; I296-A300 WeakPolarHBondContact O-CB 3.5Å; I296-A300 PolarHBondContact O-N 3.05Å; I296-T488 HydrophobicContact CG2-CG2 4.32Å; I296-A491 HydrophobicContact CD1-CB 4.33Å; I296-A491 HydrophobicContact CG1-CB 4.4Å; I296-A491 HydrophobicContact CG2-CB 3.86Å; I296-L492 HydrophobicContact CB-CD2 4.47Å; I296-L492 HydrophobicContact CG2-CD2 3.87Å; I296-L492 HydrophobicContact CG2-CG 4.13Å
297	L	93.7	Very high	89.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-50.2	-178.8	-172.9	54.7	0	0	0	112.3	F293 L294 A295 R299 A300 E301 Y478 F479 R559 L560 C563	F293-L297 PolarHBondContact O-N 3.4Å; F293-L297 VanDerWaalsContact O-N 3.11Å; L294-L297 WeakPolarHBondContact O-CA 3.5Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.27Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.09Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.92Å; L297-A300 WeakPolarHBondContact O-CB 3.35Å; L297-A300 PolarHBondContact O-N 3.13Å; L297-A300 VanDerWaalsContact O-N 3.13Å; L297-E301 WeakPolarHBondContact O-CG 3.35Å; L297-E301 PolarHBondContact O-N 3.01Å; L297-Y478 HydrophobicContact CD1-CD1 4.37Å; L297-Y478 HydrophobicContact CD1-CE1 3.59Å; L297-F479 HydrophobicContact CD1-CZ 4Å; L297-R559 HydrophobicContact CD2-CG 3.96Å; L297-L560 HydrophobicContact CD2-CB 4.42Å; L297-L560 HydrophobicContact CD2-CD1 4.41Å; L297-C563 HydrophobicContact CD1-CB 3.99Å; L297-C563 HydrophobicContact CD2-CB 4.36Å
298	D	92.6	Very high	87.4	Confident	74 Å²	74	35.4 Å²	35.4	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-40.7	179.2	-65.2	-26.8	0	0	0	111	L294 E301 M302 R559	L294-D298 VanDerWaalsContact O-CG 3.31Å; L294-D298 PolarHBondContact O-N 2.87Å; D298-E301 PolarHBondContact O-N 3.16Å; D298-M302 PolarHBondContact O-N 3.13Å; D298-R559 IonicContact OD1-CZ 3.52Å; D298-R559 VanDerWaalsContact OD1-CZ 3.28Å; D298-R559 IonicContact OD1-NH1 2.74Å; D298-R559 PolarHBondContact OD1-NH1 3.47Å; D298-R559 IonicContact OD1-NH2 3.88Å; D298-R559 PolarHBondContact OD1-NH2 3.46Å
299	R	93.7	Very high	85.8	Confident	28 Å²	28	36.6 Å²	36.6	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-40.7	175.1	178.4	57.5	175.8	137.2	-8.4	112	F192 F193 S194 A295 L297 M302 L303	F192-R299 HydrophobicContact CD1-CG 4.26Å; F192-R299 HydrophobicContact CE1-CB 3.87Å; F192-R299 HydrophobicContact CE1-CG 3.65Å; F192-R299 HydrophobicContact CZ-CB 4.36Å; F192-R299 HydrophobicContact CZ-CG 4.09Å; F193-R299 HydrophobicContact CD1-CB 4.24Å; F193-R299 HydrophobicContact CD1-CG 4.15Å; F193-R299 HydrophobicContact CE1-CB 4.04Å; F193-R299 HydrophobicContact CE1-CG 4.4Å; S194-R299 PolarHBondContact OG-NH2 2.74Å; A295-R299 VanDerWaalsContact O-CB 3.23Å; A295-R299 WeakPolarHBondContact O-CB 3.37Å; A295-R299 PolarHBondContact O-N 3.49Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.92Å; R299-M302 PolarHBondContact O-N 3.45Å; R299-L303 HydrophobicContact CG-CD1 4.41Å; R299-L303 WeakPolarHBondContact O-CG 3.1Å; R299-L303 PolarHBondContact O-N 3.29Å
300	A	94	Very high	83.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-43.5	177.7	0	0	0	0	0	112.2	F192 I296 L297 M302 L303 D304 F479 V484 T488	F192-A300 HydrophobicContact CZ-CB 4.38Å; I296-A300 WeakPolarHBondContact O-CB 3.5Å; I296-A300 PolarHBondContact O-N 3.05Å; L297-A300 WeakPolarHBondContact O-CB 3.35Å; L297-A300 PolarHBondContact O-N 3.13Å; L297-A300 VanDerWaalsContact O-N 3.13Å; A300-M302 VanDerWaalsContact C-N 3.32Å; A300-M302 PolarHBondContact O-N 3.29Å; A300-L303 PolarHBondContact O-N 3.47Å; A300-D304 PolarHBondContact O-N 3.3Å; A300-F479 HydrophobicContact CB-CD1 4.49Å; A300-F479 HydrophobicContact CB-CE1 3.59Å; A300-F479 HydrophobicContact CB-CE2 4.22Å; A300-F479 HydrophobicContact CB-CZ 3.42Å; A300-F479 VanDerWaalsContact CB-CZ 3.42Å; A300-V484 HydrophobicContact CB-CG1 4.27Å; A300-V484 WeakPolarHBondContact O-CG1 3.46Å; A300-T488 HydrophobicContact CB-CG2 3.95Å; A300-T488 WeakPolarHBondContact CB-OG1 3.5Å
301	E	91.2	Very high	81.1	Confident	65 Å²	65	46 Å²	46	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-39.5	176.3	-70.7	174.9	-172	0	0	111.7	L297 D298 D304 S305 F479 R559	L297-E301 WeakPolarHBondContact O-CG 3.35Å; L297-E301 PolarHBondContact O-N 3.01Å; D298-E301 PolarHBondContact O-N 3.16Å; E301-D304 PolarHBondContact O-N 2.88Å; E301-S305 WeakPolarHBondContact O-CB 3.43Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.15Å; E301-F479 HydrophobicContact CG-CE1 4Å; E301-R559 VanDerWaalsContact CD-NH1 3.27Å; E301-R559 IonicContact OE1-CZ 2.91Å; E301-R559 IonicContact OE1-NH1 2.78Å; E301-R559 PolarHBondContact OE1-NH1 3.44Å; E301-R559 IonicContact OE2-NH1 3.63Å; E301-R559 PolarHBondContact OE2-NH1 3.3Å
302	M	91	Very high	78.2	Confident	56 Å²	56	49.7 Å²	49.7	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-40.3	173.6	-174.7	173.5	70.7	0	0	112.3	D298 R299 A300 S305 F307 L309	D298-M302 PolarHBondContact O-N 3.13Å; R299-M302 PolarHBondContact O-N 3.45Å; A300-M302 VanDerWaalsContact C-N 3.32Å; A300-M302 PolarHBondContact O-N 3.29Å; M302-S305 WeakPolarHBondContact CA-OG 3.22Å; M302-S305 PolarHBondContact O-OG 3.23Å; M302-F307 HydrophobicContact CG-CB 4.13Å; M302-F307 PolarHBondContact O-N 3.35Å; M302-L309 HydrophobicContact CE-CD2 3.48Å; M302-L309 VanDerWaalsContact CE-CD2 3.48Å; M302-L309 HydrophobicContact CE-CG 3.99Å
303	L	91	Very high	75.2	Confident	53 Å²	53	54.3 Å²	54.3	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-37.4	175.6	-73.2	172.1	0	0	0	112.5	R299 A300 G306 V484	R299-L303 HydrophobicContact CG-CD1 4.41Å; R299-L303 WeakPolarHBondContact O-CG 3.1Å; R299-L303 PolarHBondContact O-N 3.29Å; A300-L303 PolarHBondContact O-N 3.47Å; L303-G306 PolarHBondContact O-N 2.66Å; L303-V484 HydrophobicContact CB-CG1 4.15Å; L303-V484 HydrophobicContact CB-CG2 3.82Å
304	D	89.6	Confident	72.4	Confident	33 Å²	33	60.7 Å²	60.7	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-71.6	-34.3	179.8	-160.4	56.8	0	0	0	112.4	A300 E301 G306 F479 H480 S481 V484	A300-D304 PolarHBondContact O-N 3.3Å; E301-D304 PolarHBondContact O-N 2.88Å; D304-G306 PolarHBondContact O-N 3.33Å; D304-F479 HydrophobicContact CB-CB 4.45Å; D304-F479 HydrophobicContact CB-CD1 3.83Å; D304-F479 WeakPolarHBondContact OD2-CA 3.32Å; D304-H480 VanDerWaalsContact CG-N 3.3Å; D304-H480 PolarHBondContact OD1-N 3.38Å; D304-H480 IonicContact OD2-CG 3.12Å; D304-H480 PolarHBondContact OD2-N 2.93Å; D304-H480 IonicContact OD2-ND1 3.96Å; D304-H480 PolarHBondContact OD2-ND1 3.29Å; D304-S481 WeakPolarHBondContact OD1-CB 3.31Å; D304-S481 PolarHBondContact OD1-N 3.43Å; D304-V484 HydrophobicContact CB-CG1 4.2Å
305	S	86.5	Confident	69.4	Low	68 Å²	68	68.2 Å²	68.2	48%	0.476	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.4	177.4	51.3	0	0	0	0	114.3	E301 M302 F307	E301-S305 WeakPolarHBondContact O-CB 3.43Å; E301-S305 PolarHBondContact O-N 3.49Å; E301-S305 PolarHBondContact O-OG 3.15Å; M302-S305 WeakPolarHBondContact CA-OG 3.22Å; M302-S305 PolarHBondContact O-OG 3.23Å; S305-F307 WeakPolarHBondContact OG-CD2 3.1Å
306	G	73.6	Confident	66.5	Low	24 Å²	24	69.2 Å²	69.2	25%	0.247	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	15.2	175.5	0	0	0	0	0	115	L303 D304 L314	L303-G306 PolarHBondContact O-N 2.66Å; D304-G306 PolarHBondContact O-N 3.33Å; G306-L314 PolarHBondContact O-N 3.49Å
307	F	57.7	Low	63.4	Low	91 Å²	91	75.7 Å²	75.7	40%	0.399	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-89.2	130.9	174.2	-69	-83.8	0	0	0	110.8	M302 S305	M302-F307 HydrophobicContact CG-CB 4.13Å; M302-F307 PolarHBondContact O-N 3.35Å; S305-F307 WeakPolarHBondContact OG-CD2 3.1Å
308	S	50.4	Low	60.2	Low	60 Å²	60	83.5 Å²	83.5	42%	0.42	47%	0.465	S	S	.	.			trans	-77.2	159.5	167.6	-174.3	0	0	0	0	111.2	N310 G311 Q312	S308-N310 PolarHBondContact O-N 2.91Å; S308-G311 PolarHBondContact O-N 3.39Å; S308-Q312 PolarHBondContact N-O 3.15Å
309	L	52.3	Low	57.2	Low	92 Å²	92	87.8 Å²	87.8	48%	0.482	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.4	176.4	-79.5	163.2	0	0	0	113.1	M302	M302-L309 HydrophobicContact CE-CD2 3.48Å; M302-L309 VanDerWaalsContact CE-CD2 3.48Å; M302-L309 HydrophobicContact CE-CG 3.99Å
310	N	45.3	Very low	53.9	Low	147 Å²	147	95.3 Å²	95.3	79%	0.786	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	16.3	179.3	-65.9	-4.6	0	0	0	113.7	S308 Q312	S308-N310 PolarHBondContact O-N 2.91Å; N310-Q312 PolarHBondContact O-N 2.71Å; N310-Q312 VanDerWaalsContact O-N 3.15Å
311	G	40	Very low	50.6	Low	56 Å²	56	104.3 Å²	104.3	58%	0.577	56%	0.556	S	S	*	*	S	Bend	trans	72.4	2.9	176.4	0	0	0	0	0	115.7	S308	S308-G311 PolarHBondContact O-N 3.39Å
312	Q	29.6	Very low	47.5	Very low	156 Å²	156	109.2 Å²	109.2	73%	0.729	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-80.1	128.4	174.1	-70.4	-170.3	-8.3	0	0	111.1	S308 N310	S308-Q312 PolarHBondContact N-O 3.15Å; N310-Q312 PolarHBondContact O-N 2.71Å; N310-Q312 VanDerWaalsContact O-N 3.15Å
313	K	31.9	Very low	44.3	Very low	98 Å²	98	111.7 Å²	111.7	43%	0.426	59%	0.591	S	S	.	*	B	Isolated β-bridge	trans	-82.2	125.5	-174.7	-165.4	-178.6	-174.3	-171.7	0	110.4
314	L	35.8	Very low	41.2	Very low	134 Å²	134	115.8 Å²	115.8	70%	0.702	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-84.6	131.5	165	-68	173.9	0	0	0	109	G306 G316	G306-L314 PolarHBondContact O-N 3.49Å; L314-G316 PolarHBondContact O-N 3.18Å
315	N	28.9	Very low	38.3	Very low	172 Å²	172	119 Å²	119	92%	0.92	63%	0.628	S	S	*	*	S	Bend	trans	-54.5	107.6	-172	-69	-39.4	0	0	0	112.4
316	G	31.8	Very low	35.2	Very low	46 Å²	46	121.8 Å²	121.8	47%	0.474	64%	0.637	S	S	.	*			trans	-155.3	141.1	171.4	0	0	0	0	0	110.3	L314	L314-G316 PolarHBondContact O-N 3.18Å
317	P	31.3	Very low	33	Very low	136 Å²	136	127.6 Å²	127.6	88%	0.883	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-71.4	133.7	-168.5	28.3	-32.3	0	0	0	111.4	K319	P317-K319 PolarHBondContact O-N 3.34Å
318	F	26.6	Very low	31.4	Very low	164 Å²	164	129.3 Å²	129.3	72%	0.719	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-56	128.5	171.9	-83.2	-79.5	0	0	0	110.9	K320	F318-K320 PolarHBondContact O-N 3.49Å
319	K	28.3	Very low	30.4	Very low	165 Å²	165	131.7 Å²	131.7	72%	0.717	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.9	122.5	143.8	-102.9	-178.7	178.9	175	0	106.7	P317 Q321	P317-K319 PolarHBondContact O-N 3.34Å; K319-Q321 PolarHBondContact O-N 3.2Å
320	K	25.8	Very low	29.2	Very low	185 Å²	185	133.7 Å²	133.7	80%	0.804	71%	0.709	S	S	*	*			trans	-43.7	129	162	-73.9	179.1	177.3	179.1	0	107.4	F318 F322	F318-K320 PolarHBondContact O-N 3.49Å; K320-F322 PolarHBondContact O-N 3.35Å
321	Q	24.8	Very low	28.3	Very low	190 Å²	190	131 Å²	131	89%	0.888	71%	0.708	S	S	*	*			trans	-40	109.5	160	-167.6	172.4	10.6	0	0	106.4	K319 D323	K319-Q321 PolarHBondContact O-N 3.2Å; Q321-D323 VanDerWaalsContact C-N 3.31Å; Q321-D323 PolarHBondContact O-N 2.91Å
322	F	25.9	Very low	27.5	Very low	167 Å²	167	135.1 Å²	135.1	73%	0.732	72%	0.716	S	S	*	*			trans	-64	102.7	177.3	-108	-95.2	0	0	0	105.5	K320 F324	K320-F322 PolarHBondContact O-N 3.35Å; F322-F324 PolarHBondContact O-N 3.36Å
323	D	22.4	Very low	27.4	Very low	109 Å²	109	131.2 Å²	131.2	58%	0.583	72%	0.718	S	S	*	*			trans	-70.7	111.5	176.2	-153	-12.5	0	0	0	106.7	Q321 T325	Q321-D323 VanDerWaalsContact C-N 3.31Å; Q321-D323 PolarHBondContact O-N 2.91Å; D323-T325 PolarHBondContact O-N 3.31Å; D323-T325 PolarHBondContact OD1-OG1 2.82Å; D323-T325 PolarHBondContact OD2-OG1 2.91Å
324	F	27.7	Very low	27	Very low	139 Å²	139	130.9 Å²	130.9	61%	0.61	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	3.1	-179	-75.2	-86.3	0	0	0	112.9	F322	F322-F324 PolarHBondContact O-N 3.36Å
325	T	27.1	Very low	26.6	Very low	100 Å²	100	132.6 Å²	132.6	61%	0.613	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-14.6	-176.1	54.9	0	0	0	0	114.2	D323	D323-T325 PolarHBondContact O-N 3.31Å; D323-T325 PolarHBondContact OD1-OG1 2.82Å; D323-T325 PolarHBondContact OD2-OG1 2.91Å
326	N	21.4	Very low	26.3	Very low	126 Å²	126	133.5 Å²	133.5	67%	0.674	73%	0.733	S	S	*	*			trans	-109	66.4	174.6	-77.8	-26.5	0	0	0	111.1	D328	N326-D328 VanDerWaalsContact C-N 3.35Å
327	I	27.8	Very low	25.8	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	74%	0.744	S	S	*	*			trans	-84.6	97.6	139.2	-62.9	174.1	0	0	0	102.7	P329	I327-P329 WeakPolarHBondContact O-CD 3.44Å
328	D	23.6	Very low	25.5	Very low	127 Å²	127	137 Å²	137	68%	0.679	75%	0.745	S	S	*	*			trans	-52.4	110.4	164.1	-81.9	-44.7	0	0	0	106.6	N326 C330	N326-D328 VanDerWaalsContact C-N 3.35Å; D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.1Å
329	P	29.9	Very low	25.3	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	74%	0.741	S	S	*	*			trans	-66.7	114.5	166.1	26.7	-24.3	0	0	0	104.6	I327 A331	I327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-A331 PolarHBondContact O-N 3.2Å
330	C	27.1	Very low	25	Very low	134 Å²	134	132.4 Å²	132.4	91%	0.905	75%	0.75	S	S	*	*			trans	-14.5	94.9	176.1	-83	0	0	0	0	111.7	D328 D332	D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.1Å; C330-D332 PolarHBondContact O-N 2.9Å; C330-D332 VanDerWaalsContact O-N 3.09Å
331	A	26.2	Very low	25	Very low	91 Å²	91	127.5 Å²	127.5	75%	0.752	74%	0.744	S	S	*	*			trans	-64.4	112.8	173.7	0	0	0	0	0	106.8	P329 G333	P329-A331 PolarHBondContact O-N 3.2Å; A331-G333 PolarHBondContact O-N 2.99Å
332	D	24.1	Very low	24.8	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	74%	0.741	S	S	*	*			trans	50	71.3	134.7	-152.8	7.5	0	0	0	116.1	C330 S334	C330-D332 PolarHBondContact O-N 2.9Å; C330-D332 VanDerWaalsContact O-N 3.09Å; D332-S334 PolarHBondContact O-N 3.4Å; D332-S334 VanDerWaalsContact OD1-CB 3.22Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 3.39Å
333	G	26.5	Very low	24.8	Very low	75 Å²	75	121.4 Å²	121.4	77%	0.773	74%	0.743	S	S	*	*			trans	-87.9	62.6	151.8	0	0	0	0	0	110.2	A331 L335	A331-G333 PolarHBondContact O-N 2.99Å; G333-L335 PolarHBondContact O-N 3.06Å
334	S	24.4	Very low	24.8	Very low	90 Å²	90	126.1 Å²	126.1	63%	0.629	75%	0.754	S	S	*	*			trans	-64.2	84.9	163	-172.8	0	0	0	0	109.2	D332	D332-S334 PolarHBondContact O-N 3.4Å; D332-S334 VanDerWaalsContact OD1-CB 3.22Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 3.39Å
335	L	26.9	Very low	24.6	Very low	171 Å²	171	126 Å²	126	90%	0.895	77%	0.769	S	S	*	*			trans	-107.7	98	160	-80.3	171.6	0	0	0	108.3	G333	G333-L335 PolarHBondContact O-N 3.06Å
336	K	22.7	Very low	24.4	Very low	191 Å²	191	126.3 Å²	126.3	83%	0.83	78%	0.775	S	S	*	*			trans	-22.5	129.1	162.1	-71.3	171.8	173	175.2	0	115
337	A	21.5	Very low	24.4	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	79%	0.785	S	S	*	*				38.7	108.4	125.9	0	0	0	0	0	118.6
338	N	24.6	Very low	24.2	Very low	170 Å²	170	125 Å²	125	91%	0.909	79%	0.789	S	S	*	*				-168.5	114.3	129.1	-88.2	-19.8	0	0	0	104.3
339	G	22.6	Very low	24.1	Very low	62 Å²	62	123.5 Å²	123.5	64%	0.639	79%	0.788	S	S	*	*				100	95.8	57.1	0	0	0	0	0	108
340	N	22.4	Very low	23.6	Very low	171 Å²	171	125.5 Å²	125.5	91%	0.914	79%	0.793	S	S	*	*			trans	135.3	134.5	141.7	-71.8	-5.5	0	0	0	117.2
341	A	24.9	Very low	23.3	Very low	82 Å²	82	127.3 Å²	127.3	68%	0.678	79%	0.788	S	S	*	*			trans	88.7	89.4	148.5	0	0	0	0	0	119
342	D	21.9	Very low	23.3	Very low	153 Å²	153	133 Å²	133	82%	0.818	80%	0.796	S	S	*	*				58.4	119	114.1	-54.9	-29.3	0	0	0	120.4
343	G	25.3	Very low	23.2	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	80%	0.795	S	S	*	*			trans	-175.2	68.9	166	0	0	0	0	0	111.4	C345	G343-C345 PolarHBondContact O-N 3.48Å
344	Y	22	Very low	22.9	Very low	209 Å²	209	135.8 Å²	135.8	82%	0.82	80%	0.804	S	S	*	*			trans	-52.3	128.9	170.9	-80.7	-100.1	0	0	0	112
345	C	23.2	Very low	22.8	Very low	135 Å²	135	136.5 Å²	136.5	91%	0.912	81%	0.808	S	S	*	*			trans	-140.3	104.3	150	-84.1	0	0	0	0	107.9	G343	G343-C345 PolarHBondContact O-N 3.48Å
346	S	23.6	Very low	22.5	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	80%	0.797	S	S	*	*			trans	-68.9	149.7	-177	-60.1	0	0	0	0	113.4
347	N	20.8	Very low	22.4	Very low	164 Å²	164	130.2 Å²	130.2	88%	0.877	80%	0.797	S	S	*	*			trans	-49.7	129.3	163.5	-69.4	-31.2	0	0	0	112.1
348	G	23.2	Very low	22.6	Very low	81 Å²	81	133 Å²	133	84%	0.835	81%	0.805	S	S	*	*			trans	-120	103.8	161.4	0	0	0	0	0	108.1
349	S	22.3	Very low	22.5	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	80%	0.801	S	S	*	*			trans	-81.3	142.2	173.7	42.4	0	0	0	0	111.2
350	D	20.2	Very low	22.6	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	81%	0.811	S	S	*	*			trans	70.1	145.5	141.4	-53.9	-26.8	0	0	0	121.5
351	E	20.8	Very low	22.6	Very low	172 Å²	172	127.2 Å²	127.2	80%	0.804	80%	0.801	S	S	*	*			trans	102.1	142.9	164.5	-60.8	-167.9	150.1	0	0	119.3
352	F	24.5	Very low	22.7	Very low	210 Å²	210	129.2 Å²	129.2	92%	0.921	81%	0.809	S	S	*	*			trans	82.8	112.1	-173.3	-59.4	-81.4	0	0	0	115.1
353	G	23	Very low	22.8	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	81%	0.809	S	S	*	*			cis	150.2	125.2	14.9	0	0	0	0	0	106.8	S355	G353-S355 PolarHBondContact O-N 2.78Å
354	E	19.2	Very low	22.8	Very low	205 Å²	205	133.6 Å²	133.6	96%	0.958	81%	0.81	S	S	*	*			trans	-62.4	126.3	176.9	-68.3	174.1	140	0	0	111.1
355	S	22.6	Very low	23.2	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	80%	0.8	S	S	*	*			trans	-148.3	109.4	152	78.2	0	0	0	0	111.9	G353	G353-S355 PolarHBondContact O-N 2.78Å
356	S	21.6	Very low	23.5	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	78%	0.782	S	S	*	*			trans	54.8	101.1	135.6	63.3	0	0	0	0	119.8
357	T	21.3	Very low	23.8	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	76%	0.764	S	S	*	*				29.5	100.7	116.7	56.1	0	0	0	0	118.2
358	V	25.5	Very low	25	Very low	143 Å²	143	125.7 Å²	125.7	87%	0.867	76%	0.759	S	S	*	*			trans	-140.8	119.7	138	-178.7	0	0	0	0	107.1	A360	V358-A360 PolarHBondContact O-N 3.22Å
359	G	22	Very low	26.5	Very low	80 Å²	80	122.5 Å²	122.5	83%	0.825	72%	0.724	S	S	*	*			trans	-59.6	121.2	-177.4	0	0	0	0	0	112.3
360	A	24.9	Very low	28.2	Very low	101 Å²	101	121.4 Å²	121.4	84%	0.835	71%	0.705	S	S	*	*			trans	-99.5	105.4	162.7	0	0	0	0	0	107.3	V358	V358-A360 PolarHBondContact O-N 3.22Å
361	S	23	Very low	30.2	Very low	101 Å²	101	114.2 Å²	114.2	71%	0.706	67%	0.667	S	S	*	*			trans	-58.1	150.8	172.2	62.4	0	0	0	0	111.3	D363	S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3.24Å
362	S	25.3	Very low	32	Very low	123 Å²	123	107.1 Å²	107.1	86%	0.86	64%	0.64	S	S	*	*	S	Bend	trans	-46.4	46.4	-176	-42.9	0	0	0	0	120.2	E364	S362-E364 PolarHBondContact O-N 2.97Å
363	D	24.1	Very low	34	Very low	153 Å²	153	99.7 Å²	99.7	82%	0.818	61%	0.608	S	S	*	*			trans	-96.5	60.4	169.9	-82.1	-19.1	0	0	0	111.1	S361	S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3.24Å
364	E	25.6	Very low	36.2	Very low	168 Å²	168	96.7 Å²	96.7	79%	0.785	58%	0.576	S	S	*	*			trans	-78.1	141.4	162.5	-89.8	-177.4	142.6	0	0	110.2	S362	S362-E364 PolarHBondContact O-N 2.97Å
365	F	31	Very low	38.9	Very low	138 Å²	138	90.7 Å²	90.7	61%	0.605	55%	0.553	S	S	*	*			trans	80.7	60.8	-180	-67.9	-90.5	0	0	0	118.1	S440 M441	F365-S440 WeakPolarHBondContact CE1-O 3.4Å; F365-S440 WeakPolarHBondContact CZ-O 3.23Å; F365-M441 HydrophobicContact CE1-CG 4.41Å
366	R	28.3	Very low	41.1	Very low	141 Å²	141	88.7 Å²	88.7	53%	0.532	53%	0.532	S	S	.	.			trans	-83.6	124.8	159.9	-126.3	173.2	173.1	-157.1	-14.5	110.3	S368	R366-S368 PolarHBondContact O-N 3.05Å
367	P	31.6	Very low	43.7	Very low	58 Å²	58	88.9 Å²	88.9	38%	0.377	53%	0.529	S	S	.	.			trans	-55.9	123	169.1	-19.3	28.8	0	0	0	109.2	S369 Q373	P367-S369 PolarHBondContact O-N 3Å; P367-S369 VanDerWaalsContact O-N 3.1Å; P367-Q373 HydrophobicContact CB-CG 4.03Å; P367-Q373 HydrophobicContact CG-CG 4.19Å; P367-Q373 WeakPolarHBondContact O-CG 3.21Å; P367-Q373 PolarHBondContact O-NE2 3.46Å
368	S	44.2	Very low	46.2	Very low	112 Å²	112	84.4 Å²	84.4	78%	0.783	50%	0.498	S	S	*	.	S	Bend	trans	-67.5	-8	-175.5	-52.6	0	0	0	0	113.8	R366	R366-S368 PolarHBondContact O-N 3.05Å
369	S	56.1	Low	48.6	Very low	14 Å²	14	78.9 Å²	78.9	10%	0.098	46%	0.462	C	S	.	.	S	Bend	trans	-111.8	144.5	-178.6	62	0	0	0	0	113.3	D266 P367 F371 G372 Q373	D266-S369 WeakPolarHBondContact OD2-CB 3.41Å; D266-S369 PolarHBondContact OD2-OG 3.09Å; P367-S369 PolarHBondContact O-N 3Å; P367-S369 VanDerWaalsContact O-N 3.1Å; S369-F371 PolarHBondContact O-N 3.18Å; S369-G372 PolarHBondContact O-N 3.45Å; S369-G372 VanDerWaalsContact O-N 3.14Å; S369-G372 WeakPolarHBondContact OG-CA 3.31Å; S369-G372 PolarHBondContact OG-N 3.36Å; S369-Q373 WeakPolarHBondContact O-CG 3.35Å; S369-Q373 PolarHBondContact O-N 3.2Å
370	R	58.5	Low	51	Low	72 Å²	72	75.9 Å²	75.9	27%	0.272	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.5	177	-64.4	-171.9	-170	-170.8	7.6	112.7	L399	R370-L399 HydrophobicContact CB-CD2 3.58Å; R370-L399 WeakPolarHBondContact CD-O 3.37Å; R370-L399 PolarHBondContact NH1-O 3.04Å; R370-L399 VanDerWaalsContact NH1-O 3.15Å
371	F	61.8	Low	53.4	Low	2 Å²	2	73.9 Å²	73.9	1%	0.009	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.8	175.6	-171.2	-85.1	0	0	0	112.6	Y260 F263 D266 S369 Q373 L374 R379 V382 L383	Y260-F371 HydrophobicContact CE1-CB 4.03Å; Y260-F371 WeakPolarHBondContact OH-CB 3.46Å; F263-F371 HydrophobicContact CE2-CD2 4.26Å; F263-F371 HydrophobicContact CE2-CE2 4.39Å; D266-F371 HydrophobicContact CB-CD1 3.58Å; D266-F371 HydrophobicContact CB-CE1 4.04Å; D266-F371 HydrophobicContact CB-CG 4.38Å; S369-F371 PolarHBondContact O-N 3.18Å; F371-Q373 PolarHBondContact O-N 3.2Å; F371-L374 HydrophobicContact CD2-CD1 4.03Å; F371-L374 HydrophobicContact CG-CD1 4.28Å; F371-L374 WeakPolarHBondContact O-CB 3.33Å; F371-L374 WeakPolarHBondContact O-CG 3.34Å; F371-L374 PolarHBondContact O-N 3.34Å; F371-R379 HydrophobicContact CD1-CG 3.86Å; F371-R379 HydrophobicContact CE1-CB 3.87Å; F371-R379 HydrophobicContact CE1-CG 3.54Å; F371-R379 HydrophobicContact CE2-CB 4.44Å; F371-R379 HydrophobicContact CE2-CG 4.45Å; F371-R379 HydrophobicContact CG-CG 4.49Å; F371-R379 HydrophobicContact CZ-CB 3.74Å; F371-R379 HydrophobicContact CZ-CG 3.86Å; F371-V382 HydrophobicContact CD2-CB 4.29Å; F371-V382 HydrophobicContact CD2-CG1 3.78Å; F371-V382 HydrophobicContact CE2-CB 3.81Å; F371-V382 HydrophobicContact CE2-CG1 3.51Å; F371-L383 HydrophobicContact CE2-CG 4.42Å; F371-L383 HydrophobicContact CZ-CD1 4.33Å; F371-L383 HydrophobicContact CZ-CD2 4.23Å; F371-L383 HydrophobicContact CZ-CG 3.99Å
372	G	59.1	Low	55.6	Low	24 Å²	24	69.5 Å²	69.5	25%	0.247	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.5	177.6	0	0	0	0	0	112.7	S369 L374	S369-G372 PolarHBondContact O-N 3.45Å; S369-G372 VanDerWaalsContact O-N 3.14Å; S369-G372 WeakPolarHBondContact OG-CA 3.31Å; S369-G372 PolarHBondContact OG-N 3.36Å; G372-L374 VanDerWaalsContact C-N 3.27Å; G372-L374 PolarHBondContact O-N 3.34Å
373	Q	65.5	Low	57.9	Low	54 Å²	54	63.7 Å²	63.7	25%	0.252	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.8	173.1	-64.5	175.2	6.9	0	0	113.8	P367 S369 F371 K402	P367-Q373 HydrophobicContact CB-CG 4.03Å; P367-Q373 HydrophobicContact CG-CG 4.19Å; P367-Q373 WeakPolarHBondContact O-CG 3.21Å; P367-Q373 PolarHBondContact O-NE2 3.46Å; S369-Q373 WeakPolarHBondContact O-CG 3.35Å; S369-Q373 PolarHBondContact O-N 3.2Å; F371-Q373 PolarHBondContact O-N 3.2Å; Q373-K402 PolarHBondContact O-NZ 3.4Å
374	L	69.5	Low	60.2	Low	7 Å²	7	59.1 Å²	59.1	4%	0.037	31%	0.309	C	S	.	.	S	Bend	trans	-80.5	142.8	175.6	-61.8	-180	0	0	0	110.9	F371 G372 Q378 R379 V382 K402	F371-L374 HydrophobicContact CD2-CD1 4.03Å; F371-L374 HydrophobicContact CG-CD1 4.28Å; F371-L374 WeakPolarHBondContact O-CB 3.33Å; F371-L374 WeakPolarHBondContact O-CG 3.34Å; F371-L374 PolarHBondContact O-N 3.34Å; G372-L374 VanDerWaalsContact C-N 3.27Å; G372-L374 PolarHBondContact O-N 3.34Å; L374-Q378 HydrophobicContact CB-CB 3.71Å; L374-Q378 HydrophobicContact CD1-CB 4.41Å; L374-Q378 HydrophobicContact CD2-CB 4.11Å; L374-Q378 HydrophobicContact CG-CB 4.28Å; L374-R379 HydrophobicContact CB-CG 3.59Å; L374-R379 HydrophobicContact CD1-CG 4.44Å; L374-R379 PolarHBondContact O-NE 3.47Å; L374-V382 HydrophobicContact CD1-CB 4.46Å; L374-V382 HydrophobicContact CD1-CG2 3.62Å; L374-K402 HydrophobicContact CD2-CD 3.71Å
375	T	74.7	Confident	62.1	Low	79 Å²	79	53.6 Å²	53.6	49%	0.485	29%	0.285	S	S	.	.			trans	-61.6	161	169.5	67.9	0	0	0	0	110.2	V377 Q378 R379	T375-V377 PolarHBondContact O-N 2.79Å; T375-Q378 PolarHBondContact O-N 2.84Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.21Å; T375-Q378 PolarHBondContact OG1-N 3.35Å; T375-Q378 PolarHBondContact OG1-OE1 3.3Å; T375-R379 WeakPolarHBondContact O-CG 3.28Å; T375-R379 PolarHBondContact O-N 2.93Å
376	F	70	Confident	63.6	Low	62 Å²	62	47.8 Å²	47.8	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-52	-43.7	175.9	-179.3	-93	0	0	0	112.3	W237 T270 E273 Y274 R379 S380	W237-F376 HydrophobicContact CH2-CE2 4.38Å; W237-F376 AromaticContact CH2-CZ 3.9Å; W237-F376 HydrophobicContact CH2-CZ 3.9Å; W237-F376 HydrophobicContact CZ2-CE1 4.5Å; W237-F376 AromaticContact CZ2-CZ 3.91Å; W237-F376 HydrophobicContact CZ2-CZ 3.91Å; T270-F376 HydrophobicContact CG2-CE2 4.37Å; E273-F376 HydrophobicContact CG-CD2 4.37Å; Y274-F376 AromaticContact CD2-CZ 3.75Å; Y274-F376 HydrophobicContact CD2-CZ 3.75Å; Y274-F376 HydrophobicContact CG-CZ 4.24Å; F376-R379 PolarHBondContact O-N 2.97Å; F376-S380 PolarHBondContact O-N 3.35Å
377	V	74.9	Confident	64.6	Low	99 Å²	99	42.2 Å²	42.2	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-61.1	-47.2	176.8	179.9	0	0	0	0	111	T375 R379 S380 V381	T375-V377 PolarHBondContact O-N 2.79Å; V377-R379 PolarHBondContact O-N 2.9Å; V377-S380 WeakPolarHBondContact O-CB 3.23Å; V377-S380 PolarHBondContact O-N 3.09Å; V377-S380 PolarHBondContact O-OG 3.45Å; V377-V381 WeakPolarHBondContact O-CG2 3.4Å; V377-V381 PolarHBondContact O-N 3.27Å; V377-V381 VanDerWaalsContact O-N 3.09Å
378	Q	74.5	Confident	64.9	Low	42 Å²	42	42.8 Å²	42.8	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-43.3	177	-74	176.8	-42.9	0	0	112.2	L374 T375 S380 V381 V382 E398	L374-Q378 HydrophobicContact CB-CB 3.71Å; L374-Q378 HydrophobicContact CD1-CB 4.41Å; L374-Q378 HydrophobicContact CD2-CB 4.11Å; L374-Q378 HydrophobicContact CG-CB 4.28Å; T375-Q378 PolarHBondContact O-N 2.84Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.21Å; T375-Q378 PolarHBondContact OG1-N 3.35Å; T375-Q378 PolarHBondContact OG1-OE1 3.3Å; Q378-S380 VanDerWaalsContact C-N 3.27Å; Q378-S380 PolarHBondContact O-N 2.66Å; Q378-V381 PolarHBondContact O-N 3.35Å; Q378-V381 VanDerWaalsContact O-N 3.14Å; Q378-V382 WeakPolarHBondContact O-CG2 3.3Å; Q378-V382 PolarHBondContact O-N 2.98Å; Q378-E398 PolarHBondContact NE2-OE1 3.26Å
379	R	76.4	Confident	64.4	Low	26 Å²	26	44.8 Å²	44.8	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-40.2	174.9	-67.8	-176.4	-74.6	144.5	3.3	111.2	T270 E273 F371 L374 T375 F376 V377 V381 V382 L383	T270-R379 HydrophobicContact CG2-CB 3.99Å; T270-R379 WeakPolarHBondContact OG1-CD 3.27Å; T270-R379 PolarHBondContact OG1-NH1 2.94Å; E273-R379 VanDerWaalsContact CD-NH2 3.29Å; E273-R379 IonicContact OE1-NH2 3.12Å; E273-R379 PolarHBondContact OE1-NH2 3.11Å; E273-R379 VanDerWaalsContact OE1-NH2 3.12Å; E273-R379 IonicContact OE2-CZ 3.21Å; E273-R379 IonicContact OE2-NH1 2.82Å; E273-R379 PolarHBondContact OE2-NH1 2.77Å; E273-R379 IonicContact OE2-NH2 2.69Å; E273-R379 PolarHBondContact OE2-NH2 2.93Å; F371-R379 HydrophobicContact CD1-CG 3.86Å; F371-R379 HydrophobicContact CE1-CB 3.87Å; F371-R379 HydrophobicContact CE1-CG 3.54Å; F371-R379 HydrophobicContact CE2-CB 4.44Å; F371-R379 HydrophobicContact CE2-CG 4.45Å; F371-R379 HydrophobicContact CG-CG 4.49Å; F371-R379 HydrophobicContact CZ-CB 3.74Å; F371-R379 HydrophobicContact CZ-CG 3.86Å; L374-R379 HydrophobicContact CB-CG 3.59Å; L374-R379 HydrophobicContact CD1-CG 4.44Å; L374-R379 PolarHBondContact O-NE 3.47Å; T375-R379 WeakPolarHBondContact O-CG 3.28Å; T375-R379 PolarHBondContact O-N 2.93Å; F376-R379 PolarHBondContact O-N 2.97Å; V377-R379 PolarHBondContact O-N 2.9Å; R379-V381 PolarHBondContact O-N 3.22Å; R379-V382 PolarHBondContact O-N 2.9Å; R379-L383 WeakPolarHBondContact O-CB 3.42Å; R379-L383 VanDerWaalsContact O-CG 3.31Å; R379-L383 WeakPolarHBondContact O-CG 3.34Å; R379-L383 PolarHBondContact O-N 3.4Å
380	S	72.3	Confident	63.2	Low	18 Å²	18	49.1 Å²	49.1	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-36.4	176.6	82.6	0	0	0	0	113.3	W237 F376 V377 Q378 N384	W237-S380 VanDerWaalsContact CB-O 3.31Å; W237-S380 WeakPolarHBondContact CB-O 3.41Å; F376-S380 PolarHBondContact O-N 3.35Å; V377-S380 WeakPolarHBondContact O-CB 3.23Å; V377-S380 PolarHBondContact O-N 3.09Å; V377-S380 PolarHBondContact O-OG 3.45Å; Q378-S380 VanDerWaalsContact C-N 3.27Å; Q378-S380 PolarHBondContact O-N 2.66Å; S380-N384 WeakPolarHBondContact O-CB 3.45Å; S380-N384 PolarHBondContact O-N 2.89Å; S380-N384 PolarHBondContact O-ND2 2.91Å
381	V	74.4	Confident	61.9	Low	59 Å²	59	49.4 Å²	49.4	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-68	-46.3	175.4	174.3	0	0	0	0	110.2	V377 Q378 R379 L383 N384 D385	V377-V381 WeakPolarHBondContact O-CG2 3.4Å; V377-V381 PolarHBondContact O-N 3.27Å; V377-V381 VanDerWaalsContact O-N 3.09Å; Q378-V381 PolarHBondContact O-N 3.35Å; Q378-V381 VanDerWaalsContact O-N 3.14Å; R379-V381 PolarHBondContact O-N 3.22Å; V381-L383 VanDerWaalsContact C-N 3.31Å; V381-L383 PolarHBondContact O-N 2.93Å; V381-N384 WeakPolarHBondContact O-CB 3.45Å; V381-N384 PolarHBondContact O-N 2.63Å; V381-D385 PolarHBondContact O-N 2.84Å
382	V	70.2	Confident	61	Low	9 Å²	9	50.1 Å²	50.1	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-40.3	176.5	176.7	0	0	0	0	111.5	F371 L374 Q378 R379 D385 L386 I395	F371-V382 HydrophobicContact CD2-CB 4.29Å; F371-V382 HydrophobicContact CD2-CG1 3.78Å; F371-V382 HydrophobicContact CE2-CB 3.81Å; F371-V382 HydrophobicContact CE2-CG1 3.51Å; L374-V382 HydrophobicContact CD1-CB 4.46Å; L374-V382 HydrophobicContact CD1-CG2 3.62Å; Q378-V382 WeakPolarHBondContact O-CG2 3.3Å; Q378-V382 PolarHBondContact O-N 2.98Å; R379-V382 PolarHBondContact O-N 2.9Å; V382-D385 CarbonylContact O-C 3.28Å; V382-D385 PolarHBondContact O-N 2.86Å; V382-L386 PolarHBondContact O-N 3.48Å; V382-I395 HydrophobicContact CB-CG1 4.39Å; V382-I395 HydrophobicContact CG1-CD1 3.87Å; V382-I395 HydrophobicContact CG1-CG1 3.98Å; V382-I395 HydrophobicContact CG1-CG2 4.01Å; V382-I395 HydrophobicContact CG2-CG1 4.35Å; V382-I395 WeakPolarHBondContact O-CD1 3.4Å
383	L	72.7	Confident	60.5	Low	0 Å²	0	54 Å²	54	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.5	-33.5	175.8	-71.8	176.4	0	0	0	113.3	W237 V267 T270 F371 R379 V381 D385 L386	W237-L383 HydrophobicContact CB-CB 3.99Å; W237-L383 HydrophobicContact CE3-CB 4.09Å; W237-L383 HydrophobicContact CE3-CD1 3.59Å; W237-L383 HydrophobicContact CE3-CG 4.5Å; W237-L383 HydrophobicContact CZ3-CD1 3.79Å; V267-L383 HydrophobicContact CG1-CD2 4.05Å; V267-L383 HydrophobicContact CG2-CD2 3.98Å; T270-L383 HydrophobicContact CG2-CD1 3.74Å; F371-L383 HydrophobicContact CE2-CG 4.42Å; F371-L383 HydrophobicContact CZ-CD1 4.33Å; F371-L383 HydrophobicContact CZ-CD2 4.23Å; F371-L383 HydrophobicContact CZ-CG 3.99Å; R379-L383 WeakPolarHBondContact O-CB 3.42Å; R379-L383 VanDerWaalsContact O-CG 3.31Å; R379-L383 WeakPolarHBondContact O-CG 3.34Å; R379-L383 PolarHBondContact O-N 3.4Å; V381-L383 VanDerWaalsContact C-N 3.31Å; V381-L383 PolarHBondContact O-N 2.93Å; L383-D385 PolarHBondContact O-N 3.46Å; L383-L386 HydrophobicContact CB-CD1 4.49Å; L383-L386 HydrophobicContact CD2-CD1 3.57Å; L383-L386 HydrophobicContact CD2-CG 4.21Å; L383-L386 WeakPolarHBondContact O-CB 3.35Å; L383-L386 PolarHBondContact O-N 2.85Å
384	N	72.7	Confident	60	Low	58 Å²	58	58.4 Å²	58.4	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-36.9	169.9	-97.9	-39.6	0	0	0	110.9	W237 R240 S380 V381 L386	W237-N384 HydrophobicContact CB-CB 4.07Å; W237-N384 VanDerWaalsContact CB-CG 3.45Å; W237-N384 WeakPolarHBondContact CB-OD1 3.33Å; W237-N384 PolarHBondContact N-OD1 3.45Å; R240-N384 VanDerWaalsContact CD-O 3.31Å; R240-N384 WeakPolarHBondContact CD-O 3.06Å; R240-N384 PolarHBondContact NE-O 2.68Å; R240-N384 PolarHBondContact NH1-O 3.36Å; S380-N384 WeakPolarHBondContact O-CB 3.45Å; S380-N384 PolarHBondContact O-N 2.89Å; S380-N384 PolarHBondContact O-ND2 2.91Å; V381-N384 WeakPolarHBondContact O-CB 3.45Å; V381-N384 PolarHBondContact O-N 2.63Å; N384-L386 VanDerWaalsContact C-N 3.34Å
385	D	66.4	Low	59.1	Low	52 Å²	52	59.2 Å²	59.2	28%	0.278	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.8	-177.9	-84	5.7	0	0	0	113.9	V381 V382 L383 P387 S392 I395	V381-D385 PolarHBondContact O-N 2.84Å; V382-D385 CarbonylContact O-C 3.28Å; V382-D385 PolarHBondContact O-N 2.86Å; L383-D385 PolarHBondContact O-N 3.46Å; D385-P387 VanDerWaalsContact O-CD 3.3Å; D385-P387 WeakPolarHBondContact O-CD 3.29Å; D385-S392 PolarHBondContact OD2-OG 3.28Å; D385-I395 HydrophobicContact CB-CD1 3.52Å; D385-I395 HydrophobicContact CB-CG1 3.79Å
386	L	61.1	Low	58.2	Low	16 Å²	16	59.6 Å²	59.6	8%	0.084	34%	0.344	C	S	.	.			trans	-48.1	116.4	170.1	-87.7	169.3	0	0	0	108.6	R240 C244 F263 V382 L383 N384 G388	R240-L386 HydrophobicContact CB-CB 4.33Å; R240-L386 HydrophobicContact CB-CD1 4.06Å; C244-L386 HydrophobicContact CB-CD1 4.01Å; F263-L386 HydrophobicContact CZ-CD2 4.09Å; V382-L386 PolarHBondContact O-N 3.48Å; L383-L386 HydrophobicContact CB-CD1 4.49Å; L383-L386 HydrophobicContact CD2-CD1 3.57Å; L383-L386 HydrophobicContact CD2-CG 4.21Å; L383-L386 WeakPolarHBondContact O-CB 3.35Å; L383-L386 PolarHBondContact O-N 2.85Å; N384-L386 VanDerWaalsContact C-N 3.34Å; L386-G388 PolarHBondContact O-N 2.91Å
387	P	49.2	Very low	57.7	Low	24 Å²	24	59.2 Å²	59.2	16%	0.156	35%	0.352	C	S	.	.			trans	-57.6	132.1	-166.1	-28.5	33.8	0	0	0	112.9	I254 D385 V390	I254-P387 HydrophobicContact CD1-CB 3.57Å; I254-P387 HydrophobicContact CD1-CG 4.19Å; I254-P387 WeakPolarHBondContact CD1-O 3.34Å; I254-P387 HydrophobicContact CG1-CB 3.82Å; I254-P387 HydrophobicContact CG1-CG 4.16Å; I254-P387 HydrophobicContact CG2-CG 4.04Å; D385-P387 VanDerWaalsContact O-CD 3.3Å; D385-P387 WeakPolarHBondContact O-CD 3.29Å; P387-V390 WeakPolarHBondContact CB-O 3.48Å
388	G	38.8	Very low	56.9	Low	69 Å²	69	57.2 Å²	57.2	71%	0.711	34%	0.336	S	S	*	.	S	Bend	trans	-96.4	101.8	142.7	0	0	0	0	0	106.1	L386 V390	L386-G388 PolarHBondContact O-N 2.91Å; G388-V390 PolarHBondContact O-N 2.85Å
389	L	33.1	Very low	55.9	Low	154 Å²	154	56.7 Å²	56.7	81%	0.806	33%	0.334	S	S	*	.	S	Bend	trans	67.3	1.4	171.3	-61.7	167.7	0	0	0	120
390	V	31	Very low	55.1	Low	105 Å²	105	59.4 Å²	59.4	64%	0.636	35%	0.348	S	S	*	.	S	Bend	trans	-149.6	134.3	167.7	-174.4	0	0	0	0	111.5	P387 G388 S392	P387-V390 WeakPolarHBondContact CB-O 3.48Å; G388-V390 PolarHBondContact O-N 2.85Å; V390-S392 PolarHBondContact O-N 3.34Å
391	P	32.3	Very low	54.4	Low	79 Å²	79	62.9 Å²	62.9	51%	0.513	37%	0.373	S	S	.	.			trans	-54.2	131.2	172.1	-22.4	32.2	0	0	0	112.1	P393 L396	P391-P393 VanDerWaalsContact O-CD 3.27Å; P391-P393 WeakPolarHBondContact O-CD 3.48Å; P391-L396 HydrophobicContact CB-CD1 4.47Å
392	S	43	Very low	53.7	Low	17 Å²	17	62.9 Å²	62.9	12%	0.119	37%	0.368	C	S	.	.			trans	-72.3	120.6	176.5	172.3	0	0	0	0	110.6	D385 V390 K394 I395 L396	D385-S392 PolarHBondContact OD2-OG 3.28Å; V390-S392 PolarHBondContact O-N 3.34Å; S392-K394 PolarHBondContact O-N 3.03Å; S392-K394 PolarHBondContact OG-N 2.91Å; S392-I395 PolarHBondContact O-N 2.96Å; S392-I395 PolarHBondContact OG-N 3.08Å; S392-L396 PolarHBondContact O-N 3.13Å
393	P	47.7	Very low	52.5	Low	104 Å²	104	64.7 Å²	64.7	68%	0.675	38%	0.38	S	S	*	.	H	α-helix	trans	-61.8	-29.3	175	-22	33.7	0	0	0	112.8	P391 A397	P391-P393 VanDerWaalsContact O-CD 3.27Å; P391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-A397 WeakPolarHBondContact O-CB 3.41Å; P393-A397 PolarHBondContact O-N 2.9Å
394	K	54.9	Low	51.2	Low	147 Å²	147	70.2 Å²	70.2	64%	0.639	41%	0.405	S	S	*	.	H	α-helix	trans	-70.4	-41.5	-180	-67.1	-176.6	179.1	-178.7	0	111.9	S392 L396 A397 E398	S392-K394 PolarHBondContact O-N 3.03Å; S392-K394 PolarHBondContact OG-N 2.91Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.48Å; K394-A397 PolarHBondContact O-N 3.21Å; K394-E398 WeakPolarHBondContact O-CB 3.33Å; K394-E398 PolarHBondContact O-N 3.49Å
395	I	51.3	Low	50	Low	25 Å²	25	73.9 Å²	73.9	13%	0.128	43%	0.431	C	S	.	.	H	α-helix	trans	-59.5	-47.9	175.8	-64.5	178.3	0	0	0	109.9	V382 D385 S392 E398 L399	V382-I395 HydrophobicContact CB-CG1 4.39Å; V382-I395 HydrophobicContact CG1-CD1 3.87Å; V382-I395 HydrophobicContact CG1-CG1 3.98Å; V382-I395 HydrophobicContact CG1-CG2 4.01Å; V382-I395 HydrophobicContact CG2-CG1 4.35Å; V382-I395 WeakPolarHBondContact O-CD1 3.4Å; D385-I395 HydrophobicContact CB-CD1 3.52Å; D385-I395 HydrophobicContact CB-CG1 3.79Å; S392-I395 PolarHBondContact O-N 2.96Å; S392-I395 PolarHBondContact OG-N 3.08Å; I395-E398 PolarHBondContact O-N 2.9Å; I395-L399 HydrophobicContact CG2-CD1 3.61Å; I395-L399 HydrophobicContact CG2-CG 4.13Å; I395-L399 VanDerWaalsContact O-CB 3.31Å; I395-L399 WeakPolarHBondContact O-CB 3.39Å; I395-L399 WeakPolarHBondContact O-CG 3.18Å; I395-L399 PolarHBondContact O-N 3.12Å
396	L	54.6	Low	48.8	Very low	87 Å²	87	78.8 Å²	78.8	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-60.6	-47.8	177.8	-99.5	121.9	0	0	0	111.5	P391 S392 K394 E398 L399 Q400	P391-L396 HydrophobicContact CB-CD1 4.47Å; S392-L396 PolarHBondContact O-N 3.13Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.48Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.23Å; L396-L399 PolarHBondContact O-N 2.91Å; L396-Q400 VanDerWaalsContact O-CB 3.24Å; L396-Q400 WeakPolarHBondContact O-CB 3.49Å; L396-Q400 WeakPolarHBondContact O-CG 3.41Å; L396-Q400 PolarHBondContact O-N 3.39Å
397	A	60.4	Low	47.8	Very low	54 Å²	54	81.7 Å²	81.7	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.8	0	0	0	0	0	112.6	P393 K394 Q400 S401	P393-A397 WeakPolarHBondContact O-CB 3.41Å; P393-A397 PolarHBondContact O-N 2.9Å; K394-A397 PolarHBondContact O-N 3.21Å; A397-Q400 PolarHBondContact O-N 2.74Å; A397-S401 WeakPolarHBondContact O-CB 3.47Å; A397-S401 PolarHBondContact O-N 3.36Å; A397-S401 PolarHBondContact O-OG 3.2Å
398	E	57.9	Low	47.1	Very low	56 Å²	56	84.2 Å²	84.2	26%	0.262	50%	0.503	S	S	.	.	H	α-helix	trans	-80	-32.2	-178.1	-160	155.8	-175.1	0	0	112.8	Q378 K394 I395 L396 Q400 S401 K402	Q378-E398 PolarHBondContact NE2-OE1 3.26Å; K394-E398 WeakPolarHBondContact O-CB 3.33Å; K394-E398 PolarHBondContact O-N 3.49Å; I395-E398 PolarHBondContact O-N 2.9Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.23Å; E398-Q400 VanDerWaalsContact C-N 3.3Å; E398-S401 PolarHBondContact O-OG 3.24Å; E398-S401 VanDerWaalsContact O-OG 3.12Å; E398-K402 PolarHBondContact O-N 2.75Å
399	L	54.5	Low	46.8	Very low	31 Å²	31	89.2 Å²	89.2	16%	0.162	50%	0.502	C	S	.	.	H	α-helix	trans	-69.4	-28.5	168	-69.7	175.2	0	0	0	112.1	R370 I395 L396	R370-L399 HydrophobicContact CB-CD2 3.58Å; R370-L399 WeakPolarHBondContact CD-O 3.37Å; R370-L399 PolarHBondContact NH1-O 3.04Å; R370-L399 VanDerWaalsContact NH1-O 3.15Å; I395-L399 HydrophobicContact CG2-CD1 3.61Å; I395-L399 HydrophobicContact CG2-CG 4.13Å; I395-L399 VanDerWaalsContact O-CB 3.31Å; I395-L399 WeakPolarHBondContact O-CB 3.39Å; I395-L399 WeakPolarHBondContact O-CG 3.18Å; I395-L399 PolarHBondContact O-N 3.12Å; L396-L399 PolarHBondContact O-N 2.91Å
400	Q	58	Low	46.7	Very low	84 Å²	84	86.1 Å²	86.1	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-78.6	-41.3	174.4	-76.3	170.8	-17	0	0	111.5	L396 A397 E398 K402 S403	L396-Q400 VanDerWaalsContact O-CB 3.24Å; L396-Q400 WeakPolarHBondContact O-CB 3.49Å; L396-Q400 WeakPolarHBondContact O-CG 3.41Å; L396-Q400 PolarHBondContact O-N 3.39Å; A397-Q400 PolarHBondContact O-N 2.74Å; E398-Q400 VanDerWaalsContact C-N 3.3Å; Q400-K402 PolarHBondContact O-N 3.33Å; Q400-S403 WeakPolarHBondContact O-CB 3.45Å; Q400-S403 PolarHBondContact O-N 2.84Å; Q400-S403 PolarHBondContact O-OG 3.29Å
401	S	59.1	Low	47.1	Very low	91 Å²	91	85.4 Å²	85.4	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-26.5	-178.8	71	0	0	0	0	113.6	A397 E398	A397-S401 WeakPolarHBondContact O-CB 3.47Å; A397-S401 PolarHBondContact O-N 3.36Å; A397-S401 PolarHBondContact O-OG 3.2Å; E398-S401 PolarHBondContact O-OG 3.24Å; E398-S401 VanDerWaalsContact O-OG 3.12Å
402	K	57.9	Low	47.1	Very low	59 Å²	59	86.7 Å²	86.7	26%	0.257	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.9	172.7	-66.7	-156.9	-178.1	-164.2	0	114.6	Q373 L374 E398 Q400	Q373-K402 PolarHBondContact O-NZ 3.4Å; L374-K402 HydrophobicContact CD2-CD 3.71Å; E398-K402 PolarHBondContact O-N 2.75Å; Q400-K402 PolarHBondContact O-N 3.33Å
403	S	46.8	Very low	46.7	Very low	46 Å²	46	90 Å²	90	32%	0.322	53%	0.528	S	S	.	.			trans	-73.6	128.3	176.4	70.7	0	0	0	0	110.2	Q400	Q400-S403 WeakPolarHBondContact O-CB 3.45Å; Q400-S403 PolarHBondContact O-N 2.84Å; Q400-S403 PolarHBondContact O-OG 3.29Å
404	K	44.6	Very low	45.9	Very low	117 Å²	117	89.5 Å²	89.5	51%	0.509	53%	0.532	S	S	.	.			trans	-76.6	141.9	160.4	-71.1	-175.8	175.2	-178.1	0	107.2	N406 D407	K404-N406 PolarHBondContact O-N 3.5Å; K404-D407 PolarHBondContact N-OD2 2.97Å; K404-D407 PolarHBondContact O-N 3.03Å
405	P	46.5	Very low	44.7	Very low	134 Å²	134	86.6 Å²	86.6	87%	0.87	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.5	-175.2	16.8	-28.6	0	0	0	115.2
406	N	41.3	Very low	43.7	Very low	155 Å²	155	89.1 Å²	89.1	83%	0.829	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.4	176.9	-83.7	-1	0	0	0	115.4	K404 G408	K404-N406 PolarHBondContact O-N 3.5Å; N406-G408 PolarHBondContact O-N 3.23Å
407	D	40.7	Very low	42.6	Very low	78 Å²	78	88 Å²	88	42%	0.417	55%	0.549	S	S	.	.	S	Bend	trans	-81.4	60.8	177.1	-69.7	-28.3	0	0	0	111.4	K404 Y409	K404-D407 PolarHBondContact N-OD2 2.97Å; K404-D407 PolarHBondContact O-N 3.03Å; D407-Y409 PolarHBondContact O-N 3.24Å
408	G	35.3	Very low	41.3	Very low	76 Å²	76	91.8 Å²	91.8	78%	0.784	56%	0.561	S	S	*	*	S	Bend	trans	33.4	9.7	154	0	0	0	0	0	123.3	N406	N406-G408 PolarHBondContact O-N 3.23Å
409	Y	32.4	Very low	40.3	Very low	175 Å²	175	93.8 Å²	93.8	69%	0.686	58%	0.581	S	S	*	*			trans	-116.4	118.7	-177.7	-82.6	-86.2	0	0	0	109.4	D407 A411	D407-Y409 PolarHBondContact O-N 3.24Å; Y409-A411 PolarHBondContact O-N 3.44Å
410	P	31.3	Very low	39.2	Very low	88 Å²	88	100.1 Å²	100.1	57%	0.571	61%	0.612	S	S	*	*			trans	-63.9	134.7	-176.1	23.3	-30.1	0	0	0	111.1	D412	P410-D412 PolarHBondContact O-N 2.97Å
411	A	39	Very low	37.8	Very low	91 Å²	91	104.2 Å²	104.2	75%	0.752	63%	0.628	S	S	*	*	S	Bend	trans	-77.4	-2.5	-174.7	0	0	0	0	0	114.3	Y409	Y409-A411 PolarHBondContact O-N 3.44Å
412	D	31.1	Very low	36.2	Very low	106 Å²	106	103.1 Å²	103.1	57%	0.567	62%	0.62	S	S	*	*			trans	-116	119.3	-173.7	-154.1	-10.3	0	0	0	111.7	P410 A414 T415	P410-D412 PolarHBondContact O-N 2.97Å; D412-A414 PolarHBondContact O-N 3.2Å; D412-T415 PolarHBondContact O-N 3.25Å
413	A	35.1	Very low	34.7	Very low	87 Å²	87	112.3 Å²	112.3	72%	0.719	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-18.3	-171.8	0	0	0	0	0	113.5
414	A	32	Very low	33.8	Very low	92 Å²	92	114 Å²	114	76%	0.76	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-19.7	176.7	0	0	0	0	0	113	D412 C416	D412-A414 PolarHBondContact O-N 3.2Å; A414-C416 PolarHBondContact O-N 3.16Å
415	T	30.1	Very low	32.8	Very low	86 Å²	86	112.9 Å²	112.9	53%	0.528	67%	0.672	S	S	.	*			trans	-108.9	59	-172.1	-31.2	0	0	0	0	109.5	D412 A417	D412-T415 PolarHBondContact O-N 3.25Å; T415-A417 VanDerWaalsContact C-N 3.3Å; T415-A417 PolarHBondContact O-N 3.19Å
416	C	29.9	Very low	31.8	Very low	78 Å²	78	115.5 Å²	115.5	53%	0.527	67%	0.67	S	S	.	*			trans	-68.5	93	170.1	-164.4	0	0	0	0	108.4	A414 L418 S419	A414-C416 PolarHBondContact O-N 3.16Å; C416-L418 PolarHBondContact O-N 3.49Å; C416-S419 PolarHBondContact O-N 3.37Å
417	A	31.2	Very low	31.1	Very low	64 Å²	64	113.3 Å²	113.3	53%	0.529	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	9.7	175.1	0	0	0	0	0	113.7	T415 S419	T415-A417 VanDerWaalsContact C-N 3.3Å; T415-A417 PolarHBondContact O-N 3.19Å; A417-S419 VanDerWaalsContact C-N 3.27Å
418	L	32.7	Very low	30.3	Very low	133 Å²	133	114.2 Å²	114.2	70%	0.696	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-2.2	169.4	-67.5	172	0	0	0	113.5	C416 C422	C416-L418 PolarHBondContact O-N 3.49Å; L418-C422 HydrophobicContact CD2-CB 4.21Å
419	S	36.4	Very low	29.8	Very low	98 Å²	98	120 Å²	120	69%	0.685	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-18.5	179.9	73.5	0	0	0	0	116.3	C416 A417	C416-S419 PolarHBondContact O-N 3.37Å; A417-S419 VanDerWaalsContact C-N 3.27Å
420	M	31.1	Very low	29.4	Very low	165 Å²	165	114.6 Å²	114.6	81%	0.813	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.1	-21.3	-178.1	-71	-63.3	-103.2	0	0	118.4
421	K	30.3	Very low	29.3	Very low	170 Å²	170	115.7 Å²	115.7	74%	0.739	69%	0.687	S	S	*	*	S	Bend	trans	-111.1	-4.6	-175.8	-82.5	-176.7	176.7	179.9	0	116.5	R423	K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 3.08Å
422	C	25.8	Very low	28.7	Very low	67 Å²	67	120.3 Å²	120.3	45%	0.453	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	2.5	174.4	-71.6	0	0	0	0	114.9	L418	L418-C422 HydrophobicContact CD2-CB 4.21Å
423	R	26.4	Very low	28.4	Very low	252 Å²	252	120.7 Å²	120.7	95%	0.951	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-18.3	172.5	-94.7	-172.6	175.7	-152.6	-0.9	114.8	K421	K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 3.08Å
424	S	26.2	Very low	28	Very low	82 Å²	82	120.8 Å²	120.8	57%	0.573	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-3.9	-171.4	61.8	0	0	0	0	115.9
425	S	25.3	Very low	27.8	Very low	94 Å²	94	124 Å²	124	66%	0.657	69%	0.686	S	S	*	*	S	Bend	trans	-109.2	8.2	178.9	-61.1	0	0	0	0	114.5	S427	S425-S427 VanDerWaalsContact C-N 3.33Å
426	F	24.4	Very low	27.6	Very low	189 Å²	189	128.2 Å²	128.2	83%	0.829	70%	0.7	S	S	*	*	S	Bend	trans	-89	11.4	169.4	-93.3	-79.1	0	0	0	114
427	S	25.6	Very low	27.4	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	72%	0.717	S	S	*	*	S	Bend	trans	-108.4	0.2	-178.6	65.2	0	0	0	0	116.3	S425	S425-S427 VanDerWaalsContact C-N 3.33Å
428	S	25.3	Very low	27.2	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	72%	0.717	S	S	*	*	S	Bend	trans	-117	-0.9	-175.9	-167.9	0	0	0	0	115.7
429	F	24.7	Very low	27	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.864	72%	0.719	S	S	*	*	S	Bend	trans	-119.6	82.2	163.5	-74.7	-80.3	0	0	0	108.2
430	G	24.3	Very low	26.4	Very low	62 Å²	62	136.6 Å²	136.6	64%	0.639	71%	0.705	S	S	*	*			trans	-56.2	154.9	165.4	0	0	0	0	0	111.3	Q432	G430-Q432 PolarHBondContact O-N 2.83Å
431	P	28.5	Very low	26.2	Very low	111 Å²	111	133.1 Å²	133.1	72%	0.721	69%	0.687	S	S	*	*			trans	-81	110.7	-152.1	32.1	-32.5	0	0	0	111.3	N433	P431-N433 PolarHBondContact O-N 3.15Å
432	Q	26.3	Very low	25.9	Very low	188 Å²	188	129.5 Å²	129.5	88%	0.879	68%	0.676	S	S	*	*			trans	-68.2	109.7	144.5	-70.9	-171.9	-4.1	0	0	105.8	G430 P434	G430-Q432 PolarHBondContact O-N 2.83Å; Q432-P434 VanDerWaalsContact O-N 3.11Å
433	N	25.5	Very low	26.1	Very low	115 Å²	115	136.8 Å²	136.8	62%	0.615	70%	0.701	S	S	*	*			trans	-31.2	114.1	-175.4	-87.2	-54	0	0	0	112.1	P431 F435 E436	P431-N433 PolarHBondContact O-N 3.15Å; N433-F435 PolarHBondContact O-N 3.41Å; N433-E436 PolarHBondContact O-N 2.91Å
434	P	26.7	Very low	26	Very low	88 Å²	88	131.4 Å²	131.4	57%	0.571	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-58.6	-11.2	-179.2	-23.9	32.7	0	0	0	113.9	Q432 E436 L438	Q432-P434 VanDerWaalsContact O-N 3.11Å; P434-E436 VanDerWaalsContact C-N 3.35Å; P434-E436 PolarHBondContact O-N 3.5Å; P434-L438 WeakPolarHBondContact O-CD1 3.44Å
435	F	27.5	Very low	26.1	Very low	159 Å²	159	135 Å²	135	70%	0.697	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-69.9	-20	-177.6	-69.6	-76.3	0	0	0	115	N433	N433-F435 PolarHBondContact O-N 3.41Å
436	E	25.8	Very low	26.1	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-82.2	-23.2	179.2	-80.9	-174.3	155.8	0	0	114.1	N433 P434 L438	N433-E436 PolarHBondContact O-N 2.91Å; P434-E436 VanDerWaalsContact C-N 3.35Å; P434-E436 PolarHBondContact O-N 3.5Å; E436-L438 VanDerWaalsContact C-N 3.33Å
437	R	24.9	Very low	26	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-1.6	175.7	-110.3	-177.2	-158.3	124.8	5.6	114.3
438	L	28.5	Very low	25.9	Very low	101 Å²	101	139.6 Å²	139.6	53%	0.529	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-1.9	-175.4	-100.9	150.5	0	0	0	113.7	P434 E436	P434-L438 WeakPolarHBondContact O-CD1 3.44Å; E436-L438 VanDerWaalsContact C-N 3.33Å
439	E	26.5	Very low	26	Very low	156 Å²	156	146.6 Å²	146.6	73%	0.729	70%	0.701	S	S	*	*	S	Bend	trans	-75.2	-20.5	-177.4	-73.6	-155.6	139.6	0	0	115.1
440	S	25.6	Very low	26	Very low	56 Å²	56	143 Å²	143	39%	0.392	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-24.5	-175.6	63.4	0	0	0	0	114.5	F365	F365-S440 WeakPolarHBondContact CE1-O 3.4Å; F365-S440 WeakPolarHBondContact CZ-O 3.23Å
441	M	26.2	Very low	26.1	Very low	91 Å²	91	145 Å²	145	45%	0.448	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.1	27.7	-174.1	-86.4	-176.1	-99.1	0	0	115.1	F365 F443	F365-M441 HydrophobicContact CE1-CG 4.41Å; M441-F443 PolarHBondContact O-N 3.03Å
442	N	24.4	Very low	26.1	Very low	95 Å²	95	146.9 Å²	146.9	51%	0.508	71%	0.713	S	S	.	*			trans	-82.3	108.2	167.7	-84.1	-47.6	0	0	0	110.3	R444	N442-R444 HydrophobicContact CB-CB 4.5Å; N442-R444 PolarHBondContact O-N 2.79Å
443	F	29.1	Very low	26	Very low	220 Å²	220	142.1 Å²	142.1	97%	0.965	71%	0.706	S	S	*	*			trans	-64.4	71.4	153.7	-79.4	-86	0	0	0	108.9	M441	M441-F443 PolarHBondContact O-N 3.03Å
444	R	25.7	Very low	25.9	Very low	139 Å²	139	146.5 Å²	146.5	53%	0.525	72%	0.72	S	S	.	*			trans	-145.8	113.3	168.7	-79.6	-158.6	-162.5	-142.7	5.4	109	N442	N442-R444 HydrophobicContact CB-CB 4.5Å; N442-R444 PolarHBondContact O-N 2.79Å
445	Y	27.1	Very low	25.7	Very low	157 Å²	157	148.4 Å²	148.4	62%	0.616	73%	0.734	S	S	*	*			trans	48.8	127.9	140.8	-60.5	-86.9	0	0	0	117.5	R447	Y445-R447 PolarHBondContact O-N 3.04Å
446	P	24.9	Very low	25.8	Very low	132 Å²	132	145.9 Å²	145.9	86%	0.857	73%	0.734	S	S	*	*			trans	-60.1	103	175	25.6	-31	0	0	0	109.1	L448	P446-L448 PolarHBondContact O-N 3.03Å
447	R	23.9	Very low	26	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.86	73%	0.734	S	S	*	*			trans	-76.6	115.3	166.7	-76.8	-161	175.9	-176	0.9	106.7	Y445 R449	Y445-R447 PolarHBondContact O-N 3.04Å; R447-R449 PolarHBondContact O-N 3.02Å
448	L	23.2	Very low	26.3	Very low	127 Å²	127	137.3 Å²	137.3	67%	0.665	72%	0.717	S	S	*	*			trans	-52.1	107.3	161.3	-74.1	138.5	0	0	0	108.1	P446 S450 I458	P446-L448 PolarHBondContact O-N 3.03Å; L448-S450 PolarHBondContact O-N 2.9Å; L448-I458 HydrophobicContact CD1-CD1 3.35Å; L448-I458 HydrophobicContact CD1-CG1 3.85Å; L448-I458 HydrophobicContact CD1-CG2 4.44Å; L448-I458 HydrophobicContact CD2-CD1 3.87Å; L448-I458 HydrophobicContact CG-CD1 4.23Å
449	R	26.7	Very low	26.3	Very low	244 Å²	244	142.9 Å²	142.9	92%	0.921	73%	0.731	S	S	*	*			trans	-71.6	112.1	164.1	-126.8	-175.4	-174.5	-166.4	2.7	106	R447 S451	R447-R449 PolarHBondContact O-N 3.02Å; R449-S451 VanDerWaalsContact C-N 3.34Å; R449-S451 PolarHBondContact O-N 3.17Å
450	S	24.3	Very low	26.4	Very low	122 Å²	122	139 Å²	139	85%	0.853	72%	0.721	S	S	*	*			trans	-61	95.3	167.5	54.8	0	0	0	0	109.1	L448	L448-S450 PolarHBondContact O-N 2.9Å
451	S	26.8	Very low	26.6	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	73%	0.73	S	S	*	*			trans	-146.4	103.1	147.8	-164.6	0	0	0	0	107.8	R449 A453	R449-S451 VanDerWaalsContact C-N 3.34Å; R449-S451 PolarHBondContact O-N 3.17Å; S451-A453 PolarHBondContact O-N 3.04Å
452	V	27.7	Very low	26.8	Very low	149 Å²	149	143 Å²	143	90%	0.903	74%	0.744	S	S	*	*			trans	3.1	92	162.8	-165.5	0	0	0	0	115.5
453	A	24.5	Very low	27.2	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	74%	0.744	S	S	*	*			trans	-157.7	111.7	151.7	0	0	0	0	0	108.5	S451 C455	S451-A453 PolarHBondContact O-N 3.04Å; A453-C455 PolarHBondContact O-N 3.44Å
454	F	24.2	Very low	27.2	Very low	207 Å²	207	140.7 Å²	140.7	91%	0.908	73%	0.726	S	S	*	*			trans	-8.7	114.6	164	-79.8	-100.8	0	0	0	116
455	C	22.5	Very low	27.5	Very low	127 Å²	127	137.5 Å²	137.5	86%	0.858	73%	0.726	S	S	*	*			trans	178.9	160.1	146	-97.5	0	0	0	0	112.4	A453	A453-C455 PolarHBondContact O-N 3.44Å
456	P	29.6	Very low	27.6	Very low	107 Å²	107	137 Å²	137	70%	0.695	72%	0.723	S	S	*	*				-91.2	177.9	-129.9	40.6	-40.7	0	0	0	115	I458	P456-I458 PolarHBondContact O-N 3.07Å
457	P	28.7	Very low	27.9	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.5	126.3	-144.9	30.1	-32.9	0	0	0	113.5	R459	P457-R459 PolarHBondContact O-N 3.46Å
458	I	31.6	Very low	28.2	Very low	105 Å²	105	132.8 Å²	132.8	54%	0.538	70%	0.696	S	S	.	*	P	Polyproline II helix	trans	-66.1	124.2	174.8	-67.1	142.5	0	0	0	109	L448 P456 W464	L448-I458 HydrophobicContact CD1-CD1 3.35Å; L448-I458 HydrophobicContact CD1-CG1 3.85Å; L448-I458 HydrophobicContact CD1-CG2 4.44Å; L448-I458 HydrophobicContact CD2-CD1 3.87Å; L448-I458 HydrophobicContact CG-CD1 4.23Å; P456-I458 PolarHBondContact O-N 3.07Å; I458-W464 HydrophobicContact CG2-CH2 4.45Å
459	R	29.6	Very low	28.7	Very low	218 Å²	218	133.2 Å²	133.2	82%	0.823	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-48.9	138.1	176.1	-71.2	177.9	175.6	-173.8	-2.2	111	P457	P457-R459 PolarHBondContact O-N 3.46Å
460	S	29	Very low	29.1	Very low	75 Å²	75	125.2 Å²	125.2	52%	0.524	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-61.9	153.4	-167.6	58.4	0	0	0	0	114.3	L462 Q463	S460-L462 PolarHBondContact O-N 2.94Å; S460-Q463 PolarHBondContact O-N 3.13Å
461	P	29.9	Very low	29.7	Very low	88 Å²	88	124.1 Å²	124.1	57%	0.571	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-55.4	-14.5	-175.9	-27.9	35	0	0	0	116.7	Q463 W464	P461-Q463 PolarHBondContact O-N 2.98Å; P461-W464 HydrophobicContact CB-CE3 4.02Å; P461-W464 HydrophobicContact CB-CZ3 4.31Å; P461-W464 HydrophobicContact CG-CE3 4.47Å; P461-W464 HydrophobicContact CG-CZ3 4.25Å; P461-W464 PolarHBondContact O-N 3.46Å
462	L	29.7	Very low	30.1	Very low	143 Å²	143	121.9 Å²	121.9	75%	0.749	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-63.3	-23.7	178.4	-85	83.4	0	0	0	113	S460	S460-L462 PolarHBondContact O-N 2.94Å
463	Q	32.5	Very low	30.8	Very low	107 Å²	107	117.1 Å²	117.1	50%	0.5	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-74.9	-30.1	176.7	-156	80.7	17.1	0	0	112.4	S460 P461 R466	S460-Q463 PolarHBondContact O-N 3.13Å; P461-Q463 PolarHBondContact O-N 2.98Å; Q463-R466 VanDerWaalsContact O-CB 3.26Å; Q463-R466 WeakPolarHBondContact O-CB 3.07Å; Q463-R466 PolarHBondContact O-N 2.98Å; Q463-R466 VanDerWaalsContact O-N 3.13Å
464	W	30.1	Very low	31.4	Very low	159 Å²	159	118 Å²	118	60%	0.602	60%	0.6	S	S	*	*	H	α-helix	trans	-72	-30.8	-176.3	-74.1	-39.1	0	0	0	114.2	I458 P461 R466	I458-W464 HydrophobicContact CG2-CH2 4.45Å; P461-W464 HydrophobicContact CB-CE3 4.02Å; P461-W464 HydrophobicContact CB-CZ3 4.31Å; P461-W464 HydrophobicContact CG-CE3 4.47Å; P461-W464 HydrophobicContact CG-CZ3 4.25Å; P461-W464 PolarHBondContact O-N 3.46Å; W464-R466 PolarHBondContact O-N 3.38Å
465	S	31.5	Very low	32.4	Very low	73 Å²	73	112.1 Å²	112.1	51%	0.51	57%	0.574	S	S	.	*	H	α-helix	trans	-72.5	-11.1	171.5	-85	0	0	0	0	113.2	R469	S465-R469 WeakPolarHBondContact O-CG 3.29Å; S465-R469 PolarHBondContact O-NE 3.05Å
466	R	29.4	Very low	33.7	Very low	147 Å²	147	110.1 Å²	110.1	56%	0.555	56%	0.562	S	S	*	*	H	α-helix	trans	-78.5	-41.4	176.7	-121.2	176.6	154.4	165.9	-7	111.6	Q463 W464 R469 M470	Q463-R466 VanDerWaalsContact O-CB 3.26Å; Q463-R466 WeakPolarHBondContact O-CB 3.07Å; Q463-R466 PolarHBondContact O-N 2.98Å; Q463-R466 VanDerWaalsContact O-N 3.13Å; W464-R466 PolarHBondContact O-N 3.38Å; R466-R469 PolarHBondContact O-N 3.47Å; R466-M470 VanDerWaalsContact O-CG 3.3Å; R466-M470 WeakPolarHBondContact O-CG 3.44Å; R466-M470 PolarHBondContact O-N 3.11Å
467	D	31.3	Very low	35	Very low	82 Å²	82	108.8 Å²	108.8	44%	0.439	56%	0.555	S	S	.	*	H	α-helix	trans	-72.4	-31.8	-175.8	-75.1	-17	0	0	0	114.2	M470	D467-M470 PolarHBondContact O-N 3.37Å
468	R	30.3	Very low	37	Very low	189 Å²	189	104.7 Å²	104.7	71%	0.713	52%	0.524	S	S	*	.	H	α-helix	trans	-73	-35.7	172.7	-79.9	-164.9	-169.1	-135.4	9.7	112.9	M470 L471	R468-M470 PolarHBondContact O-N 3.22Å; R468-L471 PolarHBondContact O-N 3.08Å
469	R	33.1	Very low	39.5	Very low	136 Å²	136	99.9 Å²	99.9	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-67.3	-22.4	174.5	-77.9	-174.1	-75.7	-178.4	-3	112.6	S465 R466 S472	S465-R469 WeakPolarHBondContact O-CG 3.29Å; S465-R469 PolarHBondContact O-NE 3.05Å; R466-R469 PolarHBondContact O-N 3.47Å; R469-S472 PolarHBondContact O-OG 2.93Å
470	M	35.3	Very low	42.1	Very low	75 Å²	75	96.8 Å²	96.8	37%	0.369	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.2	176.9	-74.6	-72.9	-173.3	0	0	114.1	R466 D467 R468 S472 V473 T555	R466-M470 VanDerWaalsContact O-CG 3.3Å; R466-M470 WeakPolarHBondContact O-CG 3.44Å; R466-M470 PolarHBondContact O-N 3.11Å; D467-M470 PolarHBondContact O-N 3.37Å; R468-M470 PolarHBondContact O-N 3.22Å; M470-S472 VanDerWaalsContact C-N 3.28Å; M470-S472 PolarHBondContact O-N 3.43Å; M470-V473 WeakPolarHBondContact O-CG2 3.44Å; M470-T555 HydrophobicContact CE-CG2 3.39Å; M470-T555 HydrophobicContact CG-CG2 3.91Å; M470-T555 HydrophobicContact SD-CG2 3.12Å; M470-T555 WeakPolarHBondContact SD-CG2 3.31Å
471	L	36.6	Very low	45	Very low	100 Å²	100	95 Å²	95	52%	0.524	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.5	179.1	-71.2	170.3	0	0	0	113.2	R468	R468-L471 PolarHBondContact O-N 3.08Å
472	S	34.9	Very low	47.9	Very low	58 Å²	58	95.8 Å²	95.8	41%	0.406	49%	0.486	S	S	.	.			trans	-97.7	51.7	170.4	59.7	0	0	0	0	111	R469 M470 P474	R469-S472 PolarHBondContact O-OG 2.93Å; M470-S472 VanDerWaalsContact C-N 3.28Å; M470-S472 PolarHBondContact O-N 3.43Å; S472-P474 WeakPolarHBondContact O-CD 3.35Å
473	V	42.8	Very low	50.9	Low	48 Å²	48	96.1 Å²	96.1	29%	0.291	48%	0.481	S	S	.	.			trans	-69.8	122.1	156.8	-177.7	0	0	0	0	105.7	M470 F475	M470-V473 WeakPolarHBondContact O-CG2 3.44Å; V473-F475 WeakPolarHBondContact O-CD2 3.48Å; V473-F475 PolarHBondContact O-N 3.32Å
474	P	38	Very low	53.8	Low	107 Å²	107	91.4 Å²	91.4	70%	0.695	46%	0.46	S	S	*	.			trans	-64.1	108.7	-178.3	23.5	-30.3	0	0	0	109.2	S472 S476	S472-P474 WeakPolarHBondContact O-CD 3.35Å; P474-S476 PolarHBondContact O-N 3.07Å
475	F	44.9	Very low	56.8	Low	84 Å²	84	86.9 Å²	86.9	37%	0.368	44%	0.443	S	S	.	.			trans	-74.1	53	171.4	-63.1	-74	0	0	0	110.9	V473 R534 A535	V473-F475 WeakPolarHBondContact O-CD2 3.48Å; V473-F475 PolarHBondContact O-N 3.32Å; F475-R534 VanDerWaalsContact CD1-NE 3.27Å; F475-A535 HydrophobicContact CE2-CB 4.06Å; F475-A535 HydrophobicContact CZ-CB 4.16Å
476	S	48.6	Very low	59.8	Low	85 Å²	85	89.4 Å²	89.4	59%	0.594	45%	0.446	S	S	*	.	S	Bend	trans	-111.2	162.8	173.6	179.1	0	0	0	0	109.1	P474 Y478	P474-S476 PolarHBondContact O-N 3.07Å; S476-Y478 PolarHBondContact O-N 3.41Å
477	S	56.8	Low	62.9	Low	79 Å²	79	85.7 Å²	85.7	55%	0.552	44%	0.438	S	S	*	.			trans	-33.6	108	176.6	-176.5	0	0	0	0	110.9	F479	S477-F479 PolarHBondContact O-N 2.92Å; S477-F479 VanDerWaalsContact O-N 3.08Å; S477-F479 PolarHBondContact OG-O 2.85Å
478	Y	70.3	Confident	65.9	Low	40 Å²	40	81.8 Å²	81.8	16%	0.157	42%	0.417	C	S	.	.	S	Bend	trans	-56.8	-33.8	-165.2	-147.7	-77.8	0	0	0	112.5	L297 S476 R559 C563	L297-Y478 HydrophobicContact CD1-CD1 4.37Å; L297-Y478 HydrophobicContact CD1-CE1 3.59Å; S476-Y478 PolarHBondContact O-N 3.41Å; Y478-R559 WeakPolarHBondContact OH-CG 3.13Å; Y478-R559 PolarHBondContact OH-O 2.92Å; Y478-C563 HydrophobicContact CD2-CB 4.09Å; Y478-C563 HydrophobicContact CE1-CB 4.25Å; Y478-C563 HydrophobicContact CE2-CB 3.61Å
479	F	85.5	Confident	69.1	Low	4 Å²	4	73.3 Å²	73.3	2%	0.018	39%	0.386	C	S	.	.			trans	-124.2	140.3	175.1	-54.6	-66.7	0	0	0	110	L297 A300 E301 D304 S477 V484 T488 F567	L297-F479 HydrophobicContact CD1-CZ 4Å; A300-F479 HydrophobicContact CB-CD1 4.49Å; A300-F479 HydrophobicContact CB-CE1 3.59Å; A300-F479 HydrophobicContact CB-CE2 4.22Å; A300-F479 HydrophobicContact CB-CZ 3.42Å; A300-F479 VanDerWaalsContact CB-CZ 3.42Å; E301-F479 HydrophobicContact CG-CE1 4Å; D304-F479 HydrophobicContact CB-CB 4.45Å; D304-F479 HydrophobicContact CB-CD1 3.83Å; D304-F479 WeakPolarHBondContact OD2-CA 3.32Å; S477-F479 PolarHBondContact O-N 2.92Å; S477-F479 VanDerWaalsContact O-N 3.08Å; S477-F479 PolarHBondContact OG-O 2.85Å; F479-V484 HydrophobicContact CB-CG1 4.35Å; F479-V484 HydrophobicContact CD1-CG1 4.07Å; F479-V484 HydrophobicContact CG-CG1 4.09Å; F479-T488 HydrophobicContact CE2-CG2 3.69Å; F479-T488 HydrophobicContact CZ-CG2 4.09Å; F479-F567 AromaticContact CD2-CE2 3.97Å; F479-F567 HydrophobicContact CD2-CE2 3.97Å; F479-F567 AromaticContact CD2-CZ 3.78Å; F479-F567 HydrophobicContact CD2-CZ 3.78Å; F479-F567 AromaticContact CE2-CE2 3.67Å; F479-F567 HydrophobicContact CE2-CE2 3.67Å; F479-F567 AromaticContact CE2-CZ 3.83Å; F479-F567 HydrophobicContact CE2-CZ 3.83Å
480	H	83.9	Confident	72.1	Confident	153 Å²	153	69.1 Å²	69.1	71%	0.708	37%	0.374	S	S	*	.	S	Bend	trans	-79.2	-36.8	176.9	-61.9	79.8	0	0	0	111.3	D304	D304-H480 VanDerWaalsContact CG-N 3.3Å; D304-H480 PolarHBondContact OD1-N 3.38Å; D304-H480 IonicContact OD2-CG 3.12Å; D304-H480 PolarHBondContact OD2-N 2.93Å; D304-H480 IonicContact OD2-ND1 3.96Å; D304-H480 PolarHBondContact OD2-ND1 3.29Å
481	S	89.5	Confident	75.1	Confident	39 Å²	39	65.7 Å²	65.7	27%	0.273	36%	0.358	S	S	.	.			trans	-81.3	119.7	-179.2	176.8	0	0	0	0	110.9	D304 K483 V484 R485	D304-S481 WeakPolarHBondContact OD1-CB 3.31Å; D304-S481 PolarHBondContact OD1-N 3.43Å; S481-K483 PolarHBondContact O-N 3.07Å; S481-V484 PolarHBondContact O-N 2.69Å; S481-V484 VanDerWaalsContact O-N 3.15Å; S481-V484 PolarHBondContact OG-N 3.25Å; S481-R485 PolarHBondContact O-N 3.38Å
482	P	90.2	Very high	78	Confident	103 Å²	103	61 Å²	61	67%	0.669	33%	0.333	S	S	*	.	H	α-helix	trans	-63.6	-30.3	177.1	25.8	-33.8	0	0	0	111.9	R485 Q486	P482-R485 PolarHBondContact O-N 2.9Å; P482-Q486 PolarHBondContact O-N 2.63Å
483	K	92.4	Very high	81	Confident	150 Å²	150	58.4 Å²	58.4	65%	0.652	32%	0.315	S	S	*	.	H	α-helix	trans	-65.6	-44.5	174.8	-176.3	176.5	180	-179.7	0	111.3	S481 Q486 L487	S481-K483 PolarHBondContact O-N 3.07Å; K483-Q486 PolarHBondContact O-N 3.27Å; K483-L487 HydrophobicContact CG-CD1 4.26Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 3.47Å
484	V	93.6	Very high	83.6	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-45.1	176.1	177.6	0	0	0	0	109.8	A300 L303 D304 F479 S481 Q486 L487 T488	A300-V484 HydrophobicContact CB-CG1 4.27Å; A300-V484 WeakPolarHBondContact O-CG1 3.46Å; L303-V484 HydrophobicContact CB-CG1 4.15Å; L303-V484 HydrophobicContact CB-CG2 3.82Å; D304-V484 HydrophobicContact CB-CG1 4.2Å; F479-V484 HydrophobicContact CB-CG1 4.35Å; F479-V484 HydrophobicContact CD1-CG1 4.07Å; F479-V484 HydrophobicContact CG-CG1 4.09Å; S481-V484 PolarHBondContact O-N 2.69Å; S481-V484 VanDerWaalsContact O-N 3.15Å; S481-V484 PolarHBondContact OG-N 3.25Å; V484-Q486 VanDerWaalsContact C-N 3.3Å; V484-Q486 PolarHBondContact O-N 3.22Å; V484-L487 PolarHBondContact O-N 3.1Å; V484-T488 WeakPolarHBondContact O-CB 3.41Å; V484-T488 PolarHBondContact O-N 3.32Å; V484-T488 PolarHBondContact O-OG1 3.29Å
485	R	93.6	Very high	86.4	Confident	64 Å²	64	51.3 Å²	51.3	24%	0.242	27%	0.269	C	S	.	.	H	α-helix	trans	-51.8	-48.1	174.3	-175.6	-178.5	172.3	78.5	5.3	111.9	S481 P482 T488 S489 F567 E570	S481-R485 PolarHBondContact O-N 3.38Å; P482-R485 PolarHBondContact O-N 2.9Å; R485-T488 PolarHBondContact O-N 3.41Å; R485-S489 WeakPolarHBondContact O-CB 3.19Å; R485-S489 PolarHBondContact O-N 3.33Å; R485-F567 HydrophobicContact CB-CZ 4.45Å; R485-F567 HydrophobicContact CG-CE1 3.49Å; R485-F567 VanDerWaalsContact CG-CE1 3.49Å; R485-F567 HydrophobicContact CG-CZ 3.63Å; R485-F567 WeakPolarHBondContact O-CE1 3.49Å; R485-E570 IonicContact CZ-OE1 3.62Å; R485-E570 IonicContact NE-OE1 2.69Å; R485-E570 IonicContact NH2-OE1 2.97Å; R485-E570 PolarHBondContact NH2-OE1 2.75Å
486	Q	93.9	Very high	88.9	Confident	125 Å²	125	47.3 Å²	47.3	58%	0.584	25%	0.252	S	S	*	.	H	α-helix	trans	-64.6	-47.4	179.3	-174.8	179.2	1.6	0	0	112.4	P482 K483 V484 T488 S489 D490	P482-Q486 PolarHBondContact O-N 2.63Å; K483-Q486 PolarHBondContact O-N 3.27Å; V484-Q486 VanDerWaalsContact C-N 3.3Å; V484-Q486 PolarHBondContact O-N 3.22Å; Q486-T488 VanDerWaalsContact C-N 3.3Å; Q486-T488 PolarHBondContact O-N 2.87Å; Q486-S489 WeakPolarHBondContact O-CB 3.36Å; Q486-S489 PolarHBondContact O-N 3.11Å; Q486-D490 PolarHBondContact O-N 3.03Å
487	L	95	Very high	91.3	Very high	70 Å²	70	43.3 Å²	43.3	37%	0.366	22%	0.224	S	C	.	.	H	α-helix	trans	-60	-41.4	178.1	-71.5	173	0	0	0	111.8	F192 K483 V484 D490 A491	F192-L487 HydrophobicContact CD2-CB 4.13Å; F192-L487 HydrophobicContact CE2-CB 4.03Å; K483-L487 HydrophobicContact CG-CD1 4.26Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 3.47Å; V484-L487 PolarHBondContact O-N 3.1Å; L487-D490 PolarHBondContact O-N 3.29Å; L487-A491 WeakPolarHBondContact O-CB 3.36Å; L487-A491 PolarHBondContact O-N 2.96Å
488	T	95.4	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-43.1	176	-52.6	0	0	0	0	111.3	I296 A300 F479 V484 R485 Q486 D490 A491 L492 F567	I296-T488 HydrophobicContact CG2-CG2 4.32Å; A300-T488 HydrophobicContact CB-CG2 3.95Å; A300-T488 WeakPolarHBondContact CB-OG1 3.5Å; F479-T488 HydrophobicContact CE2-CG2 3.69Å; F479-T488 HydrophobicContact CZ-CG2 4.09Å; V484-T488 WeakPolarHBondContact O-CB 3.41Å; V484-T488 PolarHBondContact O-N 3.32Å; V484-T488 PolarHBondContact O-OG1 3.29Å; R485-T488 PolarHBondContact O-N 3.41Å; Q486-T488 VanDerWaalsContact C-N 3.3Å; Q486-T488 PolarHBondContact O-N 2.87Å; T488-D490 VanDerWaalsContact C-N 3.33Å; T488-D490 PolarHBondContact O-N 2.96Å; T488-A491 PolarHBondContact O-N 2.9Å; T488-L492 HydrophobicContact CG2-CD1 3.88Å; T488-L492 HydrophobicContact CG2-CG 4.1Å; T488-L492 WeakPolarHBondContact O-CB 3.35Å; T488-L492 VanDerWaalsContact O-CG 3.23Å; T488-L492 WeakPolarHBondContact O-CG 3.36Å; T488-L492 PolarHBondContact O-N 3.41Å; T488-F567 HydrophobicContact CG2-CE2 4.47Å; T488-F567 HydrophobicContact CG2-CZ 4.41Å
489	S	96.2	Very high	94.4	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-47.4	175.5	-162.6	0	0	0	0	110.8	R485 Q486 A493 E570	R485-S489 WeakPolarHBondContact O-CB 3.19Å; R485-S489 PolarHBondContact O-N 3.33Å; Q486-S489 WeakPolarHBondContact O-CB 3.36Å; Q486-S489 PolarHBondContact O-N 3.11Å; S489-A493 WeakPolarHBondContact O-CB 2.85Å; S489-A493 PolarHBondContact O-N 3.3Å; S489-E570 WeakPolarHBondContact OG-CB 3.06Å; S489-E570 PolarHBondContact OG-OE2 3.09Å
490	D	97	Very high	94.9	Very high	49 Å²	49	39 Å²	39	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-44.3	176.9	-79.5	-21.6	0	0	0	112.1	Q486 L487 T488 A493 I494	Q486-D490 PolarHBondContact O-N 3.03Å; L487-D490 PolarHBondContact O-N 3.29Å; T488-D490 VanDerWaalsContact C-N 3.33Å; T488-D490 PolarHBondContact O-N 2.96Å; D490-A493 PolarHBondContact O-N 3.41Å; D490-I494 WeakPolarHBondContact O-CD1 3.41Å; D490-I494 VanDerWaalsContact O-CG1 3.25Å; D490-I494 WeakPolarHBondContact O-CG1 3.48Å; D490-I494 PolarHBondContact O-N 3.42Å
491	A	97.6	Very high	95.5	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-43.9	179.3	0	0	0	0	0	112.5	L189 F192 I296 L487 T488 I494 G495	L189-A491 HydrophobicContact CD2-CB 4.36Å; F192-A491 HydrophobicContact CB-CB 4.45Å; F192-A491 HydrophobicContact CD1-CB 4.04Å; F192-A491 HydrophobicContact CD2-CB 3.74Å; F192-A491 HydrophobicContact CE1-CB 4.21Å; F192-A491 HydrophobicContact CE2-CB 3.91Å; F192-A491 HydrophobicContact CG-CB 3.8Å; F192-A491 HydrophobicContact CZ-CB 4.15Å; I296-A491 HydrophobicContact CD1-CB 4.33Å; I296-A491 HydrophobicContact CG1-CB 4.4Å; I296-A491 HydrophobicContact CG2-CB 3.86Å; L487-A491 WeakPolarHBondContact O-CB 3.36Å; L487-A491 PolarHBondContact O-N 2.96Å; T488-A491 PolarHBondContact O-N 2.9Å; A491-I494 PolarHBondContact O-N 3.33Å; A491-G495 PolarHBondContact O-N 3.32Å
492	L	97.8	Very high	95.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-41.9	175	-70.5	176.6	0	0	0	111.3	F293 I296 T488 I494 G495 L496 L564 F567 I571	F293-L492 HydrophobicContact CD1-CD2 3.74Å; F293-L492 HydrophobicContact CE1-CD2 4.23Å; I296-L492 HydrophobicContact CB-CD2 4.47Å; I296-L492 HydrophobicContact CG2-CD2 3.87Å; I296-L492 HydrophobicContact CG2-CG 4.13Å; T488-L492 HydrophobicContact CG2-CD1 3.88Å; T488-L492 HydrophobicContact CG2-CG 4.1Å; T488-L492 WeakPolarHBondContact O-CB 3.35Å; T488-L492 VanDerWaalsContact O-CG 3.23Å; T488-L492 WeakPolarHBondContact O-CG 3.36Å; T488-L492 PolarHBondContact O-N 3.41Å; L492-I494 VanDerWaalsContact C-N 3.33Å; L492-I494 PolarHBondContact O-N 3.05Å; L492-G495 PolarHBondContact O-N 3.21Å; L492-L496 WeakPolarHBondContact O-CG 3.44Å; L492-L496 PolarHBondContact O-N 3.03Å; L492-L564 HydrophobicContact CD1-CD2 4.4Å; L492-L564 HydrophobicContact CD2-CD2 4.01Å; L492-F567 HydrophobicContact CD1-CB 4.25Å; L492-F567 HydrophobicContact CD1-CD2 4.11Å; L492-F567 HydrophobicContact CD1-CG 4.18Å; L492-I571 HydrophobicContact CB-CB 4.36Å; L492-I571 HydrophobicContact CB-CG2 3.72Å; L492-I571 HydrophobicContact CD1-CG2 4.29Å
493	A	97.7	Very high	96	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-43.2	175.9	0	0	0	0	0	111.6	S489 D490 L496 L497 I571 P575	S489-A493 WeakPolarHBondContact O-CB 2.85Å; S489-A493 PolarHBondContact O-N 3.3Å; D490-A493 PolarHBondContact O-N 3.41Å; A493-L496 PolarHBondContact O-N 3.17Å; A493-L497 WeakPolarHBondContact O-CG 3.39Å; A493-L497 PolarHBondContact O-N 3.33Å; A493-L497 VanDerWaalsContact O-N 3.12Å; A493-I571 VanDerWaalsContact CA-O 3.28Å; A493-I571 WeakPolarHBondContact CA-O 3.31Å; A493-I571 HydrophobicContact CB-CB 4.31Å; A493-I571 VanDerWaalsContact CB-O 3.3Å; A493-I571 WeakPolarHBondContact CB-O 3.33Å; A493-P575 HydrophobicContact CB-CG 3.79Å
494	I	98.1	Very high	96.2	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-48.4	172.5	-66.8	161.4	0	0	0	110.4	C185 R188 L189 D490 A491 L492 L496 L497 L498 P575	C185-I494 HydrophobicContact CB-CG2 3.71Å; R188-I494 HydrophobicContact CB-CD1 3.45Å; R188-I494 VanDerWaalsContact CB-CD1 3.45Å; R188-I494 HydrophobicContact CG-CD1 4.38Å; L189-I494 HydrophobicContact CD1-CG2 3.87Å; L189-I494 HydrophobicContact CD2-CB 4.35Å; L189-I494 HydrophobicContact CD2-CG2 4.16Å; L189-I494 HydrophobicContact CG-CB 4.39Å; L189-I494 HydrophobicContact CG-CG2 3.69Å; D490-I494 WeakPolarHBondContact O-CD1 3.41Å; D490-I494 VanDerWaalsContact O-CG1 3.25Å; D490-I494 WeakPolarHBondContact O-CG1 3.48Å; D490-I494 PolarHBondContact O-N 3.42Å; A491-I494 PolarHBondContact O-N 3.33Å; L492-I494 VanDerWaalsContact C-N 3.33Å; L492-I494 PolarHBondContact O-N 3.05Å; I494-L496 PolarHBondContact O-N 3.48Å; I494-L497 WeakPolarHBondContact O-CA 3.33Å; I494-L497 WeakPolarHBondContact O-CB 3.45Å; I494-L497 PolarHBondContact O-N 2.96Å; I494-L498 WeakPolarHBondContact O-CG 3.12Å; I494-L498 PolarHBondContact O-N 3.15Å; I494-P575 HydrophobicContact CG1-CG 3.95Å
495	G	97.1	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53.2	-41.7	177.3	0	0	0	0	0	112.5	A491 L492 L497 L498	A491-G495 PolarHBondContact O-N 3.32Å; L492-G495 PolarHBondContact O-N 3.21Å; G495-L497 PolarHBondContact O-N 2.94Å; G495-L498 PolarHBondContact O-N 3.46Å
496	L	97.6	Very high	96.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-67.6	-30.1	175	-71.7	174.8	0	0	0	113.7	F293 L492 A493 I494 L498 L499 R504 L507 I571 F572	F293-L496 HydrophobicContact CE1-CD2 4.43Å; F293-L496 HydrophobicContact CE1-CG 4.37Å; F293-L496 HydrophobicContact CZ-CD2 4.07Å; F293-L496 HydrophobicContact CZ-CG 4.32Å; L492-L496 WeakPolarHBondContact O-CG 3.44Å; L492-L496 PolarHBondContact O-N 3.03Å; A493-L496 PolarHBondContact O-N 3.17Å; I494-L496 PolarHBondContact O-N 3.48Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L499 HydrophobicContact CD2-CD1 3.87Å; L496-R504 HydrophobicContact CB-CG 4.47Å; L496-R504 VanDerWaalsContact O-CD 3.29Å; L496-R504 WeakPolarHBondContact O-CD 3.45Å; L496-L507 HydrophobicContact CD2-CD1 3.92Å; L496-I571 HydrophobicContact CD1-CB 3.93Å; L496-I571 HydrophobicContact CD1-CD1 3.58Å; L496-I571 HydrophobicContact CD1-CG1 3.56Å; L496-F572 HydrophobicContact CD1-CD1 4.14Å; L496-F572 HydrophobicContact CD1-CD2 4.37Å; L496-F572 HydrophobicContact CD1-CE1 3.79Å; L496-F572 HydrophobicContact CD1-CE2 4.07Å; L496-F572 HydrophobicContact CD1-CG 4.41Å; L496-F572 HydrophobicContact CD1-CZ 3.75Å; L496-F572 HydrophobicContact CD2-CE1 4.37Å; L496-F572 HydrophobicContact CD2-CZ 4.34Å
497	L	97.7	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-30.5	173.8	-67.7	175.1	0	0	0	111.9	V212 N215 A216 A493 I494 G495 L499 L574 L578	V212-L497 WeakPolarHBondContact CA-O 3.37Å; V212-L497 HydrophobicContact CG1-CB 4.35Å; N215-L497 HydrophobicContact CB-CD2 3.82Å; N215-L497 PolarHBondContact ND2-O 3.28Å; A216-L497 HydrophobicContact CB-CD2 4.33Å; A493-L497 WeakPolarHBondContact O-CG 3.39Å; A493-L497 PolarHBondContact O-N 3.33Å; A493-L497 VanDerWaalsContact O-N 3.12Å; I494-L497 WeakPolarHBondContact O-CA 3.33Å; I494-L497 WeakPolarHBondContact O-CB 3.45Å; I494-L497 PolarHBondContact O-N 2.96Å; G495-L497 PolarHBondContact O-N 2.94Å; L497-L499 VanDerWaalsContact C-N 3.32Å; L497-L574 HydrophobicContact CD1-CD1 4.07Å; L497-L574 HydrophobicContact CD2-CD1 4.43Å; L497-L578 HydrophobicContact CD1-CD2 3.64Å
498	L	97.4	Very high	96.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-73.4	-23.4	-179.4	-56	-178.6	0	0	0	113.6	C185 L186 L189 I207 V212 F289 M292 I494 G495 L496	C185-L498 HydrophobicContact CB-CD2 4.01Å; L186-L498 HydrophobicContact CD2-CD1 4.49Å; L189-L498 HydrophobicContact CD1-CD1 3.57Å; I207-L498 HydrophobicContact CD1-CD1 4.02Å; I207-L498 HydrophobicContact CG2-CB 4.4Å; I207-L498 HydrophobicContact CG2-CD2 3.94Å; V212-L498 HydrophobicContact CG1-CD2 4.27Å; V212-L498 HydrophobicContact CG2-CD2 3.82Å; F289-L498 HydrophobicContact CD1-CB 4.44Å; F289-L498 HydrophobicContact CE1-CB 3.75Å; F289-L498 WeakPolarHBondContact CZ-O 3.46Å; M292-L498 HydrophobicContact CE-CD1 4.4Å; M292-L498 HydrophobicContact SD-CD1 3.86Å; I494-L498 WeakPolarHBondContact O-CG 3.12Å; I494-L498 PolarHBondContact O-N 3.15Å; G495-L498 PolarHBondContact O-N 3.46Å; L496-L498 VanDerWaalsContact C-N 3.29Å
499	L	96.4	Very high	96.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-66	155.2	-179.6	-65.8	-177.8	0	0	0	112.7	N215 F289 F293 L496 L497 N503 R504 L507	N215-L499 PolarHBondContact ND2-O 3.01Å; F289-L499 HydrophobicContact CB-CD2 3.59Å; F289-L499 HydrophobicContact CD1-CD2 3.81Å; F289-L499 HydrophobicContact CD2-CD2 3.54Å; F289-L499 HydrophobicContact CE1-CD2 4.36Å; F289-L499 HydrophobicContact CE2-CD2 4.1Å; F289-L499 HydrophobicContact CG-CD2 3.38Å; F293-L499 HydrophobicContact CE2-CD1 4.13Å; F293-L499 HydrophobicContact CE2-CD2 4.16Å; F293-L499 HydrophobicContact CE2-CG 4.33Å; F293-L499 HydrophobicContact CZ-CD1 4.14Å; F293-L499 HydrophobicContact CZ-CG 4.43Å; L496-L499 HydrophobicContact CD2-CD1 3.87Å; L497-L499 VanDerWaalsContact C-N 3.32Å; L499-N503 HydrophobicContact CB-CB 4.39Å; L499-R504 HydrophobicContact CB-CB 4.47Å; L499-L507 HydrophobicContact CD1-CD1 3.27Å
500	P	96	Very high	96.5	Very high	32 Å²	32	11.6 Å²	11.6	21%	0.208	6%	0.058	C	C	.	.			trans	-55	144.3	166	-21.7	31.5	0	0	0	111.5	K502 N503 R504	P500-K502 VanDerWaalsContact C-N 3.28Å; P500-K502 PolarHBondContact O-N 3.15Å; P500-N503 HydrophobicContact CB-CB 4.34Å; P500-N503 WeakPolarHBondContact CB-OD1 3.42Å; P500-N503 WeakPolarHBondContact O-CB 3.43Å; P500-N503 PolarHBondContact O-N 2.98Å; P500-R504 PolarHBondContact O-N 3.05Å
501	P	96.5	Very high	96.5	Very high	5 Å²	5	9.3 Å²	9.3	3%	0.032	5%	0.046	C	C	.	.	H	α-helix	trans	-58.1	-36.2	-175	-28.8	35.8	0	0	0	114.6	H211 Y214 P228 R505	H211-P501 VanDerWaalsContact CD2-CD 3.49Å; H211-P501 WeakPolarHBondContact CD2-CD 3.34Å; Y214-P501 HydrophobicContact CD1-CB 3.83Å; Y214-P501 HydrophobicContact CD1-CG 3.65Å; Y214-P501 HydrophobicContact CE1-CB 3.91Å; Y214-P501 HydrophobicContact CE1-CG 4.19Å; Y214-P501 HydrophobicContact CG-CG 4.24Å; P228-P501 HydrophobicContact CG-CB 4.26Å; P228-P501 HydrophobicContact CG-CG 4.29Å; P501-R505 WeakPolarHBondContact O-CB 3.46Å; P501-R505 PolarHBondContact O-N 2.95Å
502	K	94.6	Very high	96.3	Very high	56 Å²	56	13 Å²	13	24%	0.243	6%	0.059	C	C	.	.	H	α-helix	trans	-56.1	-54.1	172.4	176.7	-174.6	177.7	-172.3	0	110.2	V227 D232 C283 P500 R504 R505 W506	V227-K502 HydrophobicContact CG1-CB 4.37Å; D232-K502 HydrophobicContact CB-CB 4.5Å; D232-K502 HydrophobicContact CB-CD 4.08Å; D232-K502 HydrophobicContact CB-CG 4.2Å; C283-K502 VanDerWaalsContact SG-CE 3.51Å; P500-K502 VanDerWaalsContact C-N 3.28Å; P500-K502 PolarHBondContact O-N 3.15Å; K502-R504 PolarHBondContact O-N 3.46Å; K502-R505 WeakPolarHBondContact O-CB 3.33Å; K502-R505 PolarHBondContact O-N 3.1Å; K502-R505 VanDerWaalsContact O-N 3.1Å; K502-W506 PolarHBondContact O-N 2.97Å
503	N	95.2	Very high	96.2	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.064	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-46.8	-176.4	-64.9	63	0	0	0	111.7	D282 C283 F284 L499 P500 R505 W506 L507	D282-N503 PolarHBondContact O-ND2 3.05Å; C283-N503 WeakPolarHBondContact O-CA 3.16Å; F284-N503 WeakPolarHBondContact O-CB 3.17Å; F284-N503 PolarHBondContact O-ND2 3.22Å; L499-N503 HydrophobicContact CB-CB 4.39Å; P500-N503 HydrophobicContact CB-CB 4.34Å; P500-N503 WeakPolarHBondContact CB-OD1 3.42Å; P500-N503 WeakPolarHBondContact O-CB 3.43Å; P500-N503 PolarHBondContact O-N 2.98Å; N503-R505 VanDerWaalsContact C-N 3.32Å; N503-R505 PolarHBondContact O-N 3.07Å; N503-W506 PolarHBondContact O-N 3.47Å; N503-L507 WeakPolarHBondContact O-CB 3.29Å; N503-L507 WeakPolarHBondContact O-CD1 3.29Å; N503-L507 WeakPolarHBondContact O-CG 3.31Å; N503-L507 PolarHBondContact O-N 3.28Å
504	R	96.2	Very high	96.1	Very high	8 Å²	8	13.1 Å²	13.1	3%	0.03	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-42.5	174.7	-172.5	-175.6	-177.6	-150.8	3.2	112.3	N215 A225 L496 L499 P500 K502 Q508 F572	N215-R504 VanDerWaalsContact CA-NH1 3.34Å; N215-R504 VanDerWaalsContact CB-NH1 3.32Å; N215-R504 PolarHBondContact O-NH1 2.96Å; N215-R504 WeakPolarHBondContact OD1-CD 3.3Å; A225-R504 HydrophobicContact CB-CG 4.45Å; L496-R504 HydrophobicContact CB-CG 4.47Å; L496-R504 VanDerWaalsContact O-CD 3.29Å; L496-R504 WeakPolarHBondContact O-CD 3.45Å; L499-R504 HydrophobicContact CB-CB 4.47Å; P500-R504 PolarHBondContact O-N 3.05Å; K502-R504 PolarHBondContact O-N 3.46Å; R504-Q508 PolarHBondContact O-N 3.46Å; R504-F572 HydrophobicContact CG-CD1 4.37Å; R504-F572 HydrophobicContact CG-CE1 4.02Å; R504-F572 PolarHBondContact NH2-O 3.16Å; R504-F572 WeakPolarHBondContact O-CE1 3.38Å
505	R	95.5	Very high	96	Very high	33 Å²	33	16.1 Å²	16.1	13%	0.125	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-49.8	177.2	167.7	65.6	167.4	-169.7	-0.2	112	A225 V227 D233 P501 K502 N503 Q508 L509	A225-R505 HydrophobicContact CB-CB 4.44Å; A225-R505 WeakPolarHBondContact O-CD 3.5Å; A225-R505 PolarHBondContact O-NH1 2.97Å; V227-R505 HydrophobicContact CG2-CB 3.51Å; V227-R505 HydrophobicContact CG2-CG 3.47Å; V227-R505 VanDerWaalsContact CG2-CG 3.47Å; D233-R505 VanDerWaalsContact OD1-CG 3.29Å; D233-R505 WeakPolarHBondContact OD1-CG 3.48Å; D233-R505 IonicContact OD1-CZ 3.48Å; D233-R505 IonicContact OD1-NE 3.54Å; D233-R505 PolarHBondContact OD1-NE 3.01Å; D233-R505 IonicContact OD1-NH2 3.71Å; D233-R505 IonicContact OD2-CZ 2.64Å; D233-R505 IonicContact OD2-NE 2.68Å; D233-R505 PolarHBondContact OD2-NE 2.84Å; D233-R505 IonicContact OD2-NH2 3Å; D233-R505 PolarHBondContact OD2-NH2 3.24Å; P501-R505 WeakPolarHBondContact O-CB 3.46Å; P501-R505 PolarHBondContact O-N 2.95Å; K502-R505 WeakPolarHBondContact O-CB 3.33Å; K502-R505 PolarHBondContact O-N 3.1Å; K502-R505 VanDerWaalsContact O-N 3.1Å; N503-R505 VanDerWaalsContact C-N 3.32Å; N503-R505 PolarHBondContact O-N 3.07Å; R505-Q508 WeakPolarHBondContact O-CB 3.25Å; R505-Q508 PolarHBondContact O-N 3.19Å; R505-L509 HydrophobicContact CG-CD1 4.18Å; R505-L509 WeakPolarHBondContact O-CG 3.35Å; R505-L509 PolarHBondContact O-N 3.25Å
506	W	95.7	Very high	95.8	Very high	9 Å²	9	22.4 Å²	22.4	3%	0.034	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-43.5	-177.8	-82.4	64.2	0	0	0	111.7	D232 V234 Y274 F275 C283 F284 K502 N503 Q508 L509 L510	D232-W506 PolarHBondContact O-NE1 2.74Å; V234-W506 HydrophobicContact CG2-CD2 3.55Å; V234-W506 HydrophobicContact CG2-CE3 3.82Å; V234-W506 HydrophobicContact CG2-CG 3.99Å; V234-W506 HydrophobicContact CG2-CH2 4.29Å; V234-W506 HydrophobicContact CG2-CZ2 4.03Å; V234-W506 HydrophobicContact CG2-CZ3 4.19Å; Y274-W506 HydrophobicContact CE1-CH2 4.3Å; Y274-W506 HydrophobicContact CE1-CZ3 4.36Å; Y274-W506 WeakPolarHBondContact OH-CH2 3.13Å; F275-W506 HydrophobicContact CD1-CE3 4.24Å; F275-W506 AromaticContact CD1-CZ3 3.96Å; F275-W506 HydrophobicContact CD1-CZ3 3.96Å; F275-W506 AromaticContact CE1-CE3 3.9Å; F275-W506 HydrophobicContact CE1-CE3 3.9Å; F275-W506 AromaticContact CE1-CZ3 3.75Å; F275-W506 HydrophobicContact CE1-CZ3 3.75Å; C283-W506 HydrophobicContact CB-CD2 3.57Å; C283-W506 HydrophobicContact CB-CE3 3.38Å; C283-W506 HydrophobicContact CB-CG 4.12Å; C283-W506 HydrophobicContact CB-CH2 4.19Å; C283-W506 HydrophobicContact CB-CZ2 4.37Å; C283-W506 HydrophobicContact CB-CZ3 3.71Å; C283-W506 WeakPolarHBondContact O-CB 3.49Å; F284-W506 HydrophobicContact CD1-CB 4.44Å; F284-W506 HydrophobicContact CE1-CB 4.32Å; F284-W506 HydrophobicContact CE1-CE3 4.42Å; F284-W506 HydrophobicContact CZ-CE3 4.14Å; K502-W506 PolarHBondContact O-N 2.97Å; N503-W506 PolarHBondContact O-N 3.47Å; W506-Q508 PolarHBondContact O-N 3.42Å; W506-L509 PolarHBondContact O-N 2.9Å; W506-L510 WeakPolarHBondContact O-CB 3.48Å; W506-L510 PolarHBondContact O-N 2.94Å
507	L	95.6	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-52.8	-51.7	169.8	-86	158.8	0	0	0	111.7	I285 L496 L499 N503 L509 L510 M511 F545 F572	I285-L507 HydrophobicContact CD1-CD2 4.24Å; I285-L507 HydrophobicContact CG1-CD1 3.84Å; I285-L507 HydrophobicContact CG1-CD2 4.03Å; I285-L507 HydrophobicContact CG1-CG 4.44Å; L496-L507 HydrophobicContact CD2-CD1 3.92Å; L499-L507 HydrophobicContact CD1-CD1 3.27Å; N503-L507 WeakPolarHBondContact O-CB 3.29Å; N503-L507 WeakPolarHBondContact O-CD1 3.29Å; N503-L507 WeakPolarHBondContact O-CG 3.31Å; N503-L507 PolarHBondContact O-N 3.28Å; L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 3.28Å; L507-L510 PolarHBondContact O-N 3.21Å; L507-M511 HydrophobicContact CB-SD 4.34Å; L507-M511 HydrophobicContact CD2-SD 4.15Å; L507-M511 WeakPolarHBondContact O-CB 2.98Å; L507-M511 WeakPolarHBondContact O-CG 3.36Å; L507-M511 PolarHBondContact O-N 3.25Å; L507-F545 HydrophobicContact CD2-CD1 3.98Å; L507-F545 HydrophobicContact CD2-CE1 3.24Å; L507-F545 HydrophobicContact CD2-CZ 4.04Å; L507-F545 HydrophobicContact CG-CE1 4.23Å; L507-F572 HydrophobicContact CB-CZ 4.23Å
508	Q	96.2	Very high	95.2	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-44.3	-179.5	-163.9	177.8	28.4	0	0	112.4	G223 M224 R504 R505 W506 R512 F572	G223-Q508 PolarHBondContact O-NE2 3.48Å; M224-Q508 HydrophobicContact CE-CG 4.21Å; R504-Q508 PolarHBondContact O-N 3.46Å; R505-Q508 WeakPolarHBondContact O-CB 3.25Å; R505-Q508 PolarHBondContact O-N 3.19Å; W506-Q508 PolarHBondContact O-N 3.42Å; Q508-R512 VanDerWaalsContact O-CB 3.3Å; Q508-R512 WeakPolarHBondContact O-CB 3.34Å; Q508-R512 WeakPolarHBondContact O-CG 3.41Å; Q508-R512 PolarHBondContact O-N 2.84Å; Q508-R512 VanDerWaalsContact O-N 3.07Å; Q508-F572 HydrophobicContact CB-CD1 3.74Å; Q508-F572 HydrophobicContact CB-CD2 4.42Å; Q508-F572 HydrophobicContact CB-CE1 3.37Å; Q508-F572 HydrophobicContact CB-CE2 4.08Å; Q508-F572 HydrophobicContact CB-CG 4.27Å; Q508-F572 HydrophobicContact CB-CZ 3.55Å; Q508-F572 HydrophobicContact CG-CB 4.47Å; Q508-F572 HydrophobicContact CG-CD1 3.64Å; Q508-F572 HydrophobicContact CG-CD2 3.85Å; Q508-F572 HydrophobicContact CG-CE1 3.77Å; Q508-F572 HydrophobicContact CG-CE2 3.95Å; Q508-F572 HydrophobicContact CG-CG 3.69Å; Q508-F572 HydrophobicContact CG-CZ 3.92Å
509	L	95.6	Very high	94.9	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-46.7	-179	-71.3	172.3	0	0	0	111.6	M224 V234 L239 M242 R505 W506 L507 F513	M224-L509 HydrophobicContact CE-CD2 3.62Å; M224-L509 HydrophobicContact CE-CG 4.39Å; V234-L509 HydrophobicContact CB-CD1 3.97Å; V234-L509 HydrophobicContact CG2-CD1 3.55Å; L239-L509 HydrophobicContact CD2-CD1 3.96Å; L239-L509 HydrophobicContact CD2-CD2 4.12Å; M242-L509 HydrophobicContact CE-CB 4.23Å; M242-L509 WeakPolarHBondContact CE-O 3.44Å; R505-L509 HydrophobicContact CG-CD1 4.18Å; R505-L509 WeakPolarHBondContact O-CG 3.35Å; R505-L509 PolarHBondContact O-N 3.25Å; W506-L509 PolarHBondContact O-N 2.9Å; L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 3.28Å; L509-F513 VanDerWaalsContact O-CB 3.29Å; L509-F513 WeakPolarHBondContact O-CB 3.36Å; L509-F513 PolarHBondContact O-N 3.38Å
510	L	95.8	Very high	94.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-46.5	-179.9	179.1	56.8	0	0	0	111.4	F284 W506 L507 R512 F513 I514 F541 C544 F545	F284-L510 HydrophobicContact CD1-CD2 4.11Å; F284-L510 HydrophobicContact CE1-CB 4.03Å; F284-L510 HydrophobicContact CE1-CD2 3.31Å; F284-L510 HydrophobicContact CE1-CG 4.29Å; F284-L510 HydrophobicContact CZ-CD2 3.6Å; W506-L510 WeakPolarHBondContact O-CB 3.48Å; W506-L510 PolarHBondContact O-N 2.94Å; L507-L510 PolarHBondContact O-N 3.21Å; L510-R512 PolarHBondContact O-N 2.83Å; L510-F513 HydrophobicContact CD1-CD1 4.14Å; L510-F513 WeakPolarHBondContact O-CB 3.23Å; L510-F513 PolarHBondContact O-N 2.96Å; L510-F513 VanDerWaalsContact O-N 3.15Å; L510-I514 HydrophobicContact CD1-CD1 4.01Å; L510-I514 HydrophobicContact CD1-CG1 4.17Å; L510-I514 HydrophobicContact CG-CD1 3.91Å; L510-I514 HydrophobicContact CG-CG1 4.49Å; L510-I514 WeakPolarHBondContact O-CG1 3.16Å; L510-I514 PolarHBondContact O-N 3.49Å; L510-F541 HydrophobicContact CD1-CB 4.36Å; L510-F541 HydrophobicContact CD1-CD1 3.77Å; L510-F541 HydrophobicContact CD1-CD2 4.18Å; L510-F541 HydrophobicContact CD1-CE1 4.08Å; L510-F541 HydrophobicContact CD1-CE2 4.47Å; L510-F541 HydrophobicContact CD1-CG 3.84Å; L510-F541 HydrophobicContact CD1-CZ 4.43Å; L510-F541 HydrophobicContact CD2-CB 4.3Å; L510-F541 HydrophobicContact CD2-CD1 4.37Å; L510-C544 HydrophobicContact CD2-CB 4.43Å; L510-F545 HydrophobicContact CD2-CE2 4.11Å; L510-F545 HydrophobicContact CD2-CZ 3.64Å
511	M	95.6	Very high	93.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-42.5	-180	-65	167.3	60.4	0	0	111.9	L507 F513 I514 E515 L564 V565 Q568 I571 F572	L507-M511 HydrophobicContact CB-SD 4.34Å; L507-M511 HydrophobicContact CD2-SD 4.15Å; L507-M511 WeakPolarHBondContact O-CB 2.98Å; L507-M511 WeakPolarHBondContact O-CG 3.36Å; L507-M511 PolarHBondContact O-N 3.25Å; M511-F513 VanDerWaalsContact C-N 3.29Å; M511-F513 PolarHBondContact O-N 3.33Å; M511-I514 PolarHBondContact O-N 2.98Å; M511-E515 WeakPolarHBondContact O-CB 3.46Å; M511-E515 PolarHBondContact O-N 2.79Å; M511-L564 HydrophobicContact CE-CB 3.61Å; M511-L564 WeakPolarHBondContact CE-O 3.31Å; M511-L564 HydrophobicContact SD-CB 4.22Å; M511-V565 HydrophobicContact CB-CG2 4.41Å; M511-V565 HydrophobicContact CG-CG2 4.41Å; M511-Q568 HydrophobicContact CB-CB 4.28Å; M511-Q568 HydrophobicContact CB-CG 3.65Å; M511-Q568 HydrophobicContact CE-CB 3.79Å; M511-Q568 HydrophobicContact CE-CG 4.03Å; M511-I571 HydrophobicContact CE-CD1 3.76Å; M511-F572 HydrophobicContact CE-CE2 3.92Å; M511-F572 HydrophobicContact SD-CE2 3.81Å; M511-F572 HydrophobicContact SD-CZ 3.88Å
512	R	95.2	Very high	93.2	Very high	81 Å²	81	35.7 Å²	35.7	31%	0.306	18%	0.175	S	C	.	.	H	α-helix	trans	-62	-38.7	173.7	-75	-179.6	81.9	125.9	12.4	111.9	M224 Q508 L510 R516 Q568	M224-R512 PolarHBondContact SD-NH1 2.86Å; Q508-R512 VanDerWaalsContact O-CB 3.3Å; Q508-R512 WeakPolarHBondContact O-CB 3.34Å; Q508-R512 WeakPolarHBondContact O-CG 3.41Å; Q508-R512 PolarHBondContact O-N 2.84Å; Q508-R512 VanDerWaalsContact O-N 3.07Å; L510-R512 PolarHBondContact O-N 2.83Å; R512-R516 WeakPolarHBondContact O-CB 3.29Å; R512-R516 WeakPolarHBondContact O-CG 3.46Å; R512-R516 PolarHBondContact O-N 2.79Å; R512-Q568 HydrophobicContact CG-CG 4.09Å; R512-Q568 VanDerWaalsContact CG-NE2 3.25Å
513	F	95.9	Very high	92.7	Very high	7 Å²	7	33 Å²	33	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-47.1	177.7	165.9	-117.8	0	0	0	112.1	M242 L245 L271 L509 L510 M511 E515 R516 V517 M537 F541	M242-F513 HydrophobicContact CB-CD2 3.62Å; M242-F513 HydrophobicContact CB-CE2 3.93Å; M242-F513 HydrophobicContact CB-CG 4.07Å; M242-F513 HydrophobicContact CE-CB 3.3Å; M242-F513 HydrophobicContact CE-CD1 4.01Å; M242-F513 HydrophobicContact CE-CD2 4.43Å; M242-F513 HydrophobicContact CE-CG 3.68Å; M242-F513 HydrophobicContact CG-CB 4.48Å; M242-F513 HydrophobicContact CG-CD1 4.12Å; M242-F513 HydrophobicContact CG-CD2 3.88Å; M242-F513 HydrophobicContact CG-CE1 4.28Å; M242-F513 HydrophobicContact CG-CE2 4.07Å; M242-F513 HydrophobicContact CG-CG 3.91Å; M242-F513 HydrophobicContact CG-CZ 4.28Å; L245-F513 HydrophobicContact CB-CE2 4.07Å; L245-F513 HydrophobicContact CD1-CE2 4.3Å; L245-F513 HydrophobicContact CD1-CZ 4.04Å; L271-F513 HydrophobicContact CD1-CE1 4.43Å; L271-F513 HydrophobicContact CD1-CE2 4.38Å; L271-F513 HydrophobicContact CD1-CZ 3.81Å; L509-F513 VanDerWaalsContact O-CB 3.29Å; L509-F513 WeakPolarHBondContact O-CB 3.36Å; L509-F513 PolarHBondContact O-N 3.38Å; L510-F513 HydrophobicContact CD1-CD1 4.14Å; L510-F513 WeakPolarHBondContact O-CB 3.23Å; L510-F513 PolarHBondContact O-N 2.96Å; L510-F513 VanDerWaalsContact O-N 3.15Å; M511-F513 VanDerWaalsContact C-N 3.29Å; M511-F513 PolarHBondContact O-N 3.33Å; F513-E515 VanDerWaalsContact C-N 3.31Å; F513-E515 PolarHBondContact O-N 3.21Å; F513-R516 PolarHBondContact O-N 3.09Å; F513-V517 HydrophobicContact CD2-CG2 3.79Å; F513-V517 HydrophobicContact CE2-CG2 3.41Å; F513-V517 VanDerWaalsContact CE2-CG2 3.41Å; F513-V517 HydrophobicContact CZ-CG2 4.06Å; F513-V517 WeakPolarHBondContact O-CB 3.33Å; F513-V517 WeakPolarHBondContact O-CG2 3.46Å; F513-V517 PolarHBondContact O-N 3.42Å; F513-M537 HydrophobicContact CD1-CE 3.83Å; F513-M537 HydrophobicContact CE1-CE 3.41Å; F513-M537 VanDerWaalsContact CE1-CE 3.41Å; F513-M537 HydrophobicContact CE2-CE 4.41Å; F513-M537 HydrophobicContact CZ-CE 3.72Å; F513-F541 HydrophobicContact CD1-CE2 4.49Å; F513-F541 AromaticContact CE1-CE2 3.87Å; F513-F541 HydrophobicContact CE1-CE2 3.87Å; F513-F541 AromaticContact CE1-CZ 3.89Å; F513-F541 HydrophobicContact CE1-CZ 3.89Å
514	I	95.5	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-50.4	174.2	-69.3	166.1	0	0	0	109.7	L510 M511 R516 V517 S518 M537 I538 F541 L561 V565	L510-I514 HydrophobicContact CD1-CD1 4.01Å; L510-I514 HydrophobicContact CD1-CG1 4.17Å; L510-I514 HydrophobicContact CG-CD1 3.91Å; L510-I514 HydrophobicContact CG-CG1 4.49Å; L510-I514 WeakPolarHBondContact O-CG1 3.16Å; L510-I514 PolarHBondContact O-N 3.49Å; M511-I514 PolarHBondContact O-N 2.98Å; I514-R516 PolarHBondContact O-N 3.2Å; I514-V517 PolarHBondContact O-N 3.17Å; I514-S518 WeakPolarHBondContact O-CB 3.47Å; I514-S518 PolarHBondContact O-N 3.19Å; I514-S518 PolarHBondContact O-OG 3.03Å; I514-M537 HydrophobicContact CB-CE 4.48Å; I514-M537 HydrophobicContact CG1-CB 4.39Å; I514-M537 HydrophobicContact CG1-CE 4.04Å; I514-M537 HydrophobicContact CG2-CB 3.89Å; I514-I538 HydrophobicContact CG2-CD1 3.94Å; I514-F541 HydrophobicContact CD1-CB 3.97Å; I514-F541 HydrophobicContact CD1-CD2 4.19Å; I514-F541 HydrophobicContact CD1-CG 4.35Å; I514-F541 HydrophobicContact CG1-CD2 4.01Å; I514-L561 HydrophobicContact CD1-CD1 4.1Å; I514-L561 HydrophobicContact CD1-CD2 4.16Å; I514-L561 HydrophobicContact CD1-CG 4.48Å; I514-V565 HydrophobicContact CB-CG2 4.24Å; I514-V565 HydrophobicContact CD1-CG2 4.31Å; I514-V565 HydrophobicContact CG2-CG1 4.08Å; I514-V565 HydrophobicContact CG2-CG2 3.89Å
515	E	94	Very high	91.5	Very high	68 Å²	68	39 Å²	39	32%	0.318	19%	0.186	S	C	.	.	H	α-helix	trans	-64	-44	-178	-175.3	55.9	-161.3	0	0	112.3	M511 F513 V517 S518 A519 R534 V565	M511-E515 WeakPolarHBondContact O-CB 3.46Å; M511-E515 PolarHBondContact O-N 2.79Å; F513-E515 VanDerWaalsContact C-N 3.31Å; F513-E515 PolarHBondContact O-N 3.21Å; E515-V517 PolarHBondContact O-N 3.07Å; E515-S518 WeakPolarHBondContact O-CB 3.18Å; E515-S518 PolarHBondContact O-N 3.18Å; E515-A519 WeakPolarHBondContact O-CB 3.35Å; E515-A519 PolarHBondContact O-N 2.96Å; E515-R534 IonicContact OE2-NH1 3.75Å; E515-R534 PolarHBondContact OE2-NH1 3.2Å; E515-V565 HydrophobicContact CB-CG1 4.22Å; E515-V565 WeakPolarHBondContact OE2-CG1 3.29Å
516	R	93.2	Very high	90.9	Very high	132 Å²	132	38.7 Å²	38.7	50%	0.498	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-41	178.1	-73	-61.7	-162	91.2	-4.1	113.2	A246 R512 F513 I514 N520	A246-R516 HydrophobicContact CB-CB 3.82Å; R512-R516 WeakPolarHBondContact O-CB 3.29Å; R512-R516 WeakPolarHBondContact O-CG 3.46Å; R512-R516 PolarHBondContact O-N 2.79Å; F513-R516 PolarHBondContact O-N 3.09Å; I514-R516 PolarHBondContact O-N 3.2Å; R516-N520 WeakPolarHBondContact O-CB 3.21Å; R516-N520 PolarHBondContact O-N 3.13Å
517	V	92	Very high	89.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-36.1	176.3	169	0	0	0	0	111.2	L245 F513 I514 E515 A519 N520 L523 L525 N533 M537	L245-V517 HydrophobicContact CB-CG2 3.97Å; F513-V517 HydrophobicContact CD2-CG2 3.79Å; F513-V517 HydrophobicContact CE2-CG2 3.41Å; F513-V517 VanDerWaalsContact CE2-CG2 3.41Å; F513-V517 HydrophobicContact CZ-CG2 4.06Å; F513-V517 WeakPolarHBondContact O-CB 3.33Å; F513-V517 WeakPolarHBondContact O-CG2 3.46Å; F513-V517 PolarHBondContact O-N 3.42Å; I514-V517 PolarHBondContact O-N 3.17Å; E515-V517 PolarHBondContact O-N 3.07Å; V517-A519 VanDerWaalsContact C-N 3.33Å; V517-A519 PolarHBondContact O-N 3.41Å; V517-N520 PolarHBondContact O-N 2.65Å; V517-L523 HydrophobicContact CG1-CD2 3.89Å; V517-L523 HydrophobicContact CG2-CD2 4.48Å; V517-L525 HydrophobicContact CG1-CD1 3.99Å; V517-N533 HydrophobicContact CG1-CB 4.44Å; V517-N533 PolarHBondContact O-ND2 3.43Å; V517-M537 HydrophobicContact CB-CE 3.94Å; V517-M537 HydrophobicContact CB-CG 4.36Å; V517-M537 HydrophobicContact CB-SD 4.28Å; V517-M537 HydrophobicContact CG1-CE 4Å; V517-M537 HydrophobicContact CG1-CG 3.81Å; V517-M537 HydrophobicContact CG1-SD 3.67Å; V517-M537 HydrophobicContact CG2-CE 4.2Å
518	S	91.9	Very high	88.8	Confident	20 Å²	20	50.6 Å²	50.6	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-40.7	175.9	-62	0	0	0	0	112	I514 E515 N520 R534	I514-S518 WeakPolarHBondContact O-CB 3.47Å; I514-S518 PolarHBondContact O-N 3.19Å; I514-S518 PolarHBondContact O-OG 3.03Å; E515-S518 WeakPolarHBondContact O-CB 3.18Å; E515-S518 PolarHBondContact O-N 3.18Å; S518-N520 VanDerWaalsContact C-N 3.34Å; S518-R534 VanDerWaalsContact OG-CA 3.29Å; S518-R534 WeakPolarHBondContact OG-CA 3.46Å
519	A	90.4	Very high	87.7	Confident	55 Å²	55	58.1 Å²	58.1	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.1	177	0	0	0	0	0	113.9	E515 V517 H521	E515-A519 WeakPolarHBondContact O-CB 3.35Å; E515-A519 PolarHBondContact O-N 2.96Å; V517-A519 VanDerWaalsContact C-N 3.33Å; V517-A519 PolarHBondContact O-N 3.41Å; A519-H521 PolarHBondContact O-N 2.94Å; A519-H521 VanDerWaalsContact O-N 3.15Å
520	N	86.9	Confident	86.8	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.102	30%	0.295	C	S	.	.			trans	-82.3	94.9	-178.5	-171.1	-10	0	0	0	111.5	L245 W248 R516 V517 S518 C522 L523 N533	L245-N520 PolarHBondContact O-ND2 2.97Å; W248-N520 PolarHBondContact N-ND2 2.63Å; W248-N520 PolarHBondContact O-ND2 3.42Å; W248-N520 PolarHBondContact O-OD1 2.73Å; R516-N520 WeakPolarHBondContact O-CB 3.21Å; R516-N520 PolarHBondContact O-N 3.13Å; V517-N520 PolarHBondContact O-N 2.65Å; S518-N520 VanDerWaalsContact C-N 3.34Å; N520-C522 VanDerWaalsContact C-N 3.26Å; N520-C522 PolarHBondContact O-N 3.24Å; N520-C522 PolarHBondContact OD1-N 2.88Å; N520-C522 VanDerWaalsContact OD1-N 3.09Å; N520-L523 HydrophobicContact CB-CB 4.23Å; N520-L523 PolarHBondContact O-N 3.48Å; N520-L523 PolarHBondContact OD1-N 3.39Å; N520-N533 PolarHBondContact O-ND2 3.41Å
521	H	83.9	Confident	86.2	Confident	148 Å²	148	64 Å²	64	69%	0.685	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21	179.6	-56.7	-49.6	0	0	0	114.4	A519 L523	A519-H521 PolarHBondContact O-N 2.94Å; A519-H521 VanDerWaalsContact O-N 3.15Å; H521-L523 VanDerWaalsContact C-N 3.31Å
522	C	82.7	Confident	85.9	Confident	77 Å²	77	66.8 Å²	66.8	52%	0.52	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.2	178.4	-58	0	0	0	0	112.8	P249 N520	P249-C522 VanDerWaalsContact CD-CB 3.49Å; N520-C522 VanDerWaalsContact C-N 3.26Å; N520-C522 PolarHBondContact O-N 3.24Å; N520-C522 PolarHBondContact OD1-N 2.88Å; N520-C522 VanDerWaalsContact OD1-N 3.09Å
523	L	84.8	Confident	85.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.			trans	-101.7	135.8	176.7	177.9	60	0	0	0	109.9	L245 W248 E264 V517 N520 H521 L525 N533	L245-L523 HydrophobicContact CB-CD2 3.99Å; L245-L523 HydrophobicContact CD2-CD1 4.46Å; L245-L523 HydrophobicContact CD2-CD2 4.33Å; L245-L523 WeakPolarHBondContact O-CD2 3.39Å; W248-L523 HydrophobicContact CB-CB 4.15Å; W248-L523 HydrophobicContact CB-CD1 4.19Å; W248-L523 HydrophobicContact CB-CD2 4.34Å; W248-L523 HydrophobicContact CB-CG 4.46Å; W248-L523 HydrophobicContact CD2-CD1 4.22Å; W248-L523 HydrophobicContact CG-CB 4.21Å; W248-L523 HydrophobicContact CG-CD1 3.77Å; W248-L523 HydrophobicContact CG-CG 4.45Å; E264-L523 HydrophobicContact CB-CD1 3.75Å; E264-L523 HydrophobicContact CG-CD1 3.7Å; V517-L523 HydrophobicContact CG1-CD2 3.89Å; V517-L523 HydrophobicContact CG2-CD2 4.48Å; N520-L523 HydrophobicContact CB-CB 4.23Å; N520-L523 PolarHBondContact O-N 3.48Å; N520-L523 PolarHBondContact OD1-N 3.39Å; H521-L523 VanDerWaalsContact C-N 3.31Å; L523-L525 HydrophobicContact CD1-CD2 4.04Å; L523-L525 HydrophobicContact CD1-CG 4.46Å; L523-L525 HydrophobicContact CD2-CD2 4.41Å; L523-L525 HydrophobicContact CD2-CG 4.39Å; L523-L525 HydrophobicContact CG-CD2 4.32Å; L523-L525 HydrophobicContact CG-CG 4.25Å; L523-N533 PolarHBondContact O-ND2 2.95Å
524	R	83.5	Confident	85.4	Confident	137 Å²	137	64.7 Å²	64.7	52%	0.517	32%	0.323	S	S	.	.			trans	-134.7	101.5	174.9	-65.7	-65.3	174.9	167.7	1.2	110.4
525	L	82.6	Confident	85.1	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.042	33%	0.329	C	S	.	.			trans	-78.8	-40.5	-177.5	-66.4	175.1	0	0	0	112	E264 R265 F268 V517 L523 R527 N533 L536 M537	E264-L525 HydrophobicContact CG-CD2 4.39Å; R265-L525 PolarHBondContact NE-O 2.97Å; F268-L525 HydrophobicContact CB-CD1 4.45Å; F268-L525 HydrophobicContact CB-CD2 3.89Å; F268-L525 HydrophobicContact CD2-CD1 3.75Å; F268-L525 HydrophobicContact CE2-CD1 4.14Å; F268-L525 HydrophobicContact CG-CD1 3.98Å; F268-L525 HydrophobicContact CG-CD2 4.2Å; V517-L525 HydrophobicContact CG1-CD1 3.99Å; L523-L525 HydrophobicContact CD1-CD2 4.04Å; L523-L525 HydrophobicContact CD1-CG 4.46Å; L523-L525 HydrophobicContact CD2-CD2 4.41Å; L523-L525 HydrophobicContact CD2-CG 4.39Å; L523-L525 HydrophobicContact CG-CD2 4.32Å; L523-L525 HydrophobicContact CG-CG 4.25Å; L525-R527 PolarHBondContact O-N 3.33Å; L525-N533 PolarHBondContact N-OD1 3.09Å; L525-L536 HydrophobicContact CB-CD1 4.11Å; L525-L536 HydrophobicContact CB-CD2 4.07Å; L525-L536 HydrophobicContact CD1-CD2 3.88Å; L525-M537 HydrophobicContact CD1-SD 3.94Å
526	D	81.3	Confident	84.9	Confident	26 Å²	26	63.8 Å²	63.8	14%	0.139	32%	0.322	C	S	.	.			trans	-67.9	131.3	176.2	-175.5	24.4	0	0	0	111.3	L528 Q529 S530 I531 L536	D526-L528 PolarHBondContact OD1-N 3.39Å; D526-Q529 PolarHBondContact OD2-N 3.36Å; D526-S530 PolarHBondContact OD2-N 3.49Å; D526-S530 PolarHBondContact OD2-OG 3.31Å; D526-I531 PolarHBondContact OD2-N 3.38Å; D526-L536 HydrophobicContact CB-CD1 4.16Å
527	R	72.4	Confident	84.9	Confident	146 Å²	146	57.5 Å²	57.5	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-72.7	-39.7	178	-77.6	-179.6	-173.4	-168.8	4.9	111.9	L525 Q529	L525-R527 PolarHBondContact O-N 3.33Å; R527-Q529 VanDerWaalsContact C-N 3.26Å; R527-Q529 PolarHBondContact O-N 3.21Å
528	L	76.6	Confident	84.8	Confident	114 Å²	114	57.6 Å²	57.6	60%	0.597	30%	0.299	S	S	*	.	S	Bend	trans	-83.1	-5.6	-175.9	-61.8	177.9	0	0	0	112.7	D526 S530	D526-L528 PolarHBondContact OD1-N 3.39Å; L528-S530 PolarHBondContact O-N 2.86Å; L528-S530 VanDerWaalsContact O-N 3.08Å
529	Q	71.6	Confident	84.7	Confident	161 Å²	161	59.4 Å²	59.4	75%	0.752	31%	0.307	S	S	*	.	S	Bend	trans	54.9	24.6	-176.1	-52	-179.2	25.6	0	0	113.4	D526 R527	D526-Q529 PolarHBondContact OD2-N 3.36Å; R527-Q529 VanDerWaalsContact C-N 3.26Å; R527-Q529 PolarHBondContact O-N 3.21Å
530	S	77.5	Confident	84.6	Confident	77 Å²	77	57.3 Å²	57.3	54%	0.538	29%	0.29	S	S	.	.			trans	-89.6	-25.5	-176.9	62.7	0	0	0	0	112.5	D526 L528	D526-S530 PolarHBondContact OD2-N 3.49Å; D526-S530 PolarHBondContact OD2-OG 3.31Å; L528-S530 PolarHBondContact O-N 2.86Å; L528-S530 VanDerWaalsContact O-N 3.08Å
531	I	83.8	Confident	84.8	Confident	69 Å²	69	56.4 Å²	56.4	35%	0.354	29%	0.285	S	S	.	.	S	Bend	trans	-120.8	135.8	-175.7	-56.8	173.5	0	0	0	109	D526 A535 L536	D526-I531 PolarHBondContact OD2-N 3.38Å; I531-A535 HydrophobicContact CG2-CB 3.6Å; I531-L536 HydrophobicContact CG2-CB 4.18Å
532	S	87.5	Confident	85	Confident	57 Å²	57	49.4 Å²	49.4	40%	0.399	25%	0.253	S	S	.	.			trans	-66.1	151.3	173.8	69.4	0	0	0	0	110.9	R534 A535 L536	S532-R534 PolarHBondContact O-N 3.4Å; S532-R534 VanDerWaalsContact O-N 3.17Å; S532-A535 PolarHBondContact O-N 2.81Å; S532-A535 WeakPolarHBondContact OG-CB 3.49Å; S532-A535 PolarHBondContact OG-N 2.85Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; S532-L536 WeakPolarHBondContact O-CB 3.43Å; S532-L536 PolarHBondContact O-N 2.95Å
533	N	89.5	Confident	85.2	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-53.5	-39.5	173.2	-71.3	-13.8	0	0	0	110.5	V517 N520 L523 L525 L536 M537	V517-N533 HydrophobicContact CG1-CB 4.44Å; V517-N533 PolarHBondContact O-ND2 3.43Å; N520-N533 PolarHBondContact O-ND2 3.41Å; L523-N533 PolarHBondContact O-ND2 2.95Å; L525-N533 PolarHBondContact N-OD1 3.09Å; N533-L536 PolarHBondContact O-N 3.18Å; N533-M537 VanDerWaalsContact O-CB 3.32Å; N533-M537 WeakPolarHBondContact O-CB 3.43Å; N533-M537 WeakPolarHBondContact O-CG 3.29Å; N533-M537 PolarHBondContact O-N 3.16Å
534	R	91.9	Very high	85.2	Confident	37 Å²	37	47.8 Å²	47.8	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-55.7	176.8	-173.3	178.1	166.9	94.7	6.3	112.9	F475 E515 S518 S532 L536 M537 I538 S562 D566	F475-R534 VanDerWaalsContact CD1-NE 3.27Å; E515-R534 IonicContact OE2-NH1 3.75Å; E515-R534 PolarHBondContact OE2-NH1 3.2Å; S518-R534 VanDerWaalsContact OG-CA 3.29Å; S518-R534 WeakPolarHBondContact OG-CA 3.46Å; S532-R534 PolarHBondContact O-N 3.4Å; S532-R534 VanDerWaalsContact O-N 3.17Å; R534-L536 VanDerWaalsContact C-N 3.27Å; R534-L536 PolarHBondContact O-N 3.22Å; R534-M537 PolarHBondContact O-N 2.93Å; R534-I538 HydrophobicContact CG-CG1 4.4Å; R534-I538 VanDerWaalsContact O-CG1 3.31Å; R534-I538 WeakPolarHBondContact O-CG1 3.41Å; R534-I538 PolarHBondContact O-N 3.44Å; R534-S562 PolarHBondContact NH2-OG 2.98Å; R534-D566 IonicContact CZ-OD1 3.28Å; R534-D566 IonicContact NH1-OD1 3.48Å; R534-D566 PolarHBondContact NH1-OD1 3.01Å; R534-D566 VanDerWaalsContact NH2-CG 3.27Å; R534-D566 IonicContact NH2-OD1 2.84Å; R534-D566 PolarHBondContact NH2-OD1 3.17Å; R534-D566 IonicContact NH2-OD2 3.94Å; R534-D566 PolarHBondContact NH2-OD2 3.22Å
535	A	88.8	Confident	84.9	Confident	15 Å²	15	41.6 Å²	41.6	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-39	-179.2	0	0	0	0	0	111.6	F475 I531 S532 N539	F475-A535 HydrophobicContact CE2-CB 4.06Å; F475-A535 HydrophobicContact CZ-CB 4.16Å; I531-A535 HydrophobicContact CG2-CB 3.6Å; S532-A535 PolarHBondContact O-N 2.81Å; S532-A535 WeakPolarHBondContact OG-CB 3.49Å; S532-A535 PolarHBondContact OG-N 2.85Å; S532-A535 VanDerWaalsContact OG-N 3.13Å; A535-N539 VanDerWaalsContact O-CB 3.23Å; A535-N539 WeakPolarHBondContact O-CB 3.33Å; A535-N539 PolarHBondContact O-N 3.28Å
536	L	90.7	Very high	84.2	Confident	33 Å²	33	42.5 Å²	42.5	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-47.1	175.1	-177.3	148.4	0	0	0	111.9	F268 L525 D526 I531 S532 N533 R534 N539 A540	F268-L536 HydrophobicContact CE1-CD2 3.8Å; F268-L536 HydrophobicContact CE2-CD2 3.98Å; F268-L536 HydrophobicContact CZ-CD2 3.43Å; F268-L536 VanDerWaalsContact CZ-CD2 3.43Å; L525-L536 HydrophobicContact CB-CD1 4.11Å; L525-L536 HydrophobicContact CB-CD2 4.07Å; L525-L536 HydrophobicContact CD1-CD2 3.88Å; D526-L536 HydrophobicContact CB-CD1 4.16Å; I531-L536 HydrophobicContact CG2-CB 4.18Å; S532-L536 WeakPolarHBondContact O-CB 3.43Å; S532-L536 PolarHBondContact O-N 2.95Å; N533-L536 PolarHBondContact O-N 3.18Å; R534-L536 VanDerWaalsContact C-N 3.27Å; R534-L536 PolarHBondContact O-N 3.22Å; L536-N539 PolarHBondContact O-N 3.33Å; L536-A540 VanDerWaalsContact O-CB 3.22Å; L536-A540 WeakPolarHBondContact O-CB 3.46Å; L536-A540 PolarHBondContact O-N 3.2Å
537	M	92.1	Very high	83.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-46	-179.2	-68.7	-65.1	-71.8	0	0	111.7	F268 F513 I514 V517 L525 N533 R534 A540 F541	F268-M537 HydrophobicContact CD2-SD 3.96Å; F268-M537 HydrophobicContact CE2-CE 4.44Å; F268-M537 HydrophobicContact CE2-SD 3.43Å; F268-M537 WeakPolarHBondContact CE2-SD 3.4Å; F268-M537 HydrophobicContact CZ-SD 4.38Å; F513-M537 HydrophobicContact CD1-CE 3.83Å; F513-M537 HydrophobicContact CE1-CE 3.41Å; F513-M537 VanDerWaalsContact CE1-CE 3.41Å; F513-M537 HydrophobicContact CE2-CE 4.41Å; F513-M537 HydrophobicContact CZ-CE 3.72Å; I514-M537 HydrophobicContact CB-CE 4.48Å; I514-M537 HydrophobicContact CG1-CB 4.39Å; I514-M537 HydrophobicContact CG1-CE 4.04Å; I514-M537 HydrophobicContact CG2-CB 3.89Å; V517-M537 HydrophobicContact CB-CE 3.94Å; V517-M537 HydrophobicContact CB-CG 4.36Å; V517-M537 HydrophobicContact CB-SD 4.28Å; V517-M537 HydrophobicContact CG1-CE 4Å; V517-M537 HydrophobicContact CG1-CG 3.81Å; V517-M537 HydrophobicContact CG1-SD 3.67Å; V517-M537 HydrophobicContact CG2-CE 4.2Å; L525-M537 HydrophobicContact CD1-SD 3.94Å; N533-M537 VanDerWaalsContact O-CB 3.32Å; N533-M537 WeakPolarHBondContact O-CB 3.43Å; N533-M537 WeakPolarHBondContact O-CG 3.29Å; N533-M537 PolarHBondContact O-N 3.16Å; R534-M537 PolarHBondContact O-N 2.93Å; M537-A540 PolarHBondContact O-N 3.22Å; M537-F541 HydrophobicContact CE-CD2 4.06Å; M537-F541 HydrophobicContact CE-CE2 3.54Å; M537-F541 VanDerWaalsContact O-CD2 3.31Å; M537-F541 WeakPolarHBondContact O-CD2 3.19Å; M537-F541 PolarHBondContact O-N 3.11Å; M537-F541 HydrophobicContact SD-CE2 4.06Å
538	I	91.3	Very high	82.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-47.1	176.8	-64.8	-65.7	0	0	0	110.2	I514 R534 A540 F541 S542 I558 L561 V565	I514-I538 HydrophobicContact CG2-CD1 3.94Å; R534-I538 HydrophobicContact CG-CG1 4.4Å; R534-I538 VanDerWaalsContact O-CG1 3.31Å; R534-I538 WeakPolarHBondContact O-CG1 3.41Å; R534-I538 PolarHBondContact O-N 3.44Å; I538-A540 VanDerWaalsContact C-N 3.33Å; I538-A540 PolarHBondContact O-N 3.49Å; I538-F541 PolarHBondContact O-N 3.48Å; I538-S542 VanDerWaalsContact O-CB 3.23Å; I538-S542 WeakPolarHBondContact O-CB 3.4Å; I538-S542 PolarHBondContact O-N 2.8Å; I538-I558 HydrophobicContact CG2-CG2 3.94Å; I538-L561 HydrophobicContact CD1-CD2 4.23Å; I538-L561 HydrophobicContact CD1-CG 3.83Å; I538-L561 HydrophobicContact CG2-CD2 4.4Å; I538-L561 WeakPolarHBondContact O-CD2 3.17Å; I538-V565 HydrophobicContact CD1-CB 4.2Å; I538-V565 HydrophobicContact CD1-CG2 3.87Å
539	N	88	Confident	81.9	Confident	58 Å²	58	38.5 Å²	38.5	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-32.6	-179.7	-179.5	62.8	0	0	0	113.4	A535 L536 S542 R554	A535-N539 VanDerWaalsContact O-CB 3.23Å; A535-N539 WeakPolarHBondContact O-CB 3.33Å; A535-N539 PolarHBondContact O-N 3.28Å; L536-N539 PolarHBondContact O-N 3.33Å; N539-S542 PolarHBondContact O-OG 3.05Å; N539-R554 PolarHBondContact O-NH2 2.78Å; N539-R554 PolarHBondContact OD1-NH2 3.21Å
540	A	88.2	Confident	81.1	Confident	12 Å²	12	38.2 Å²	38.2	10%	0.099	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-44.2	177.9	0	0	0	0	0	111.8	F268 H272 L536 M537 I538	F268-A540 HydrophobicContact CE2-CB 4.48Å; F268-A540 HydrophobicContact CZ-CB 3.75Å; H272-A540 PolarHBondContact CD2-O 3.21Å; H272-A540 PolarHBondContact NE2-O 2.86Å; L536-A540 VanDerWaalsContact O-CB 3.22Å; L536-A540 WeakPolarHBondContact O-CB 3.46Å; L536-A540 PolarHBondContact O-N 3.2Å; M537-A540 PolarHBondContact O-N 3.22Å; I538-A540 VanDerWaalsContact C-N 3.33Å; I538-A540 PolarHBondContact O-N 3.49Å
541	F	92	Very high	80.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-96.3	-2	-174.4	-66.6	-69.9	0	0	0	114.3	F268 H272 F275 L510 F513 I514 M537 I538 S543 C544 F545 L561	F268-F541 AromaticContact CE2-CE2 3.91Å; F268-F541 HydrophobicContact CE2-CE2 3.91Å; F268-F541 HydrophobicContact CE2-CZ 4.28Å; H272-F541 HydrophobicContact CB-CZ 4.48Å; F275-F541 HydrophobicContact CB-CD1 4.18Å; F275-F541 HydrophobicContact CB-CE1 3.89Å; F275-F541 AromaticContact CD2-CE1 3.91Å; F275-F541 HydrophobicContact CD2-CE1 3.91Å; F275-F541 HydrophobicContact CG-CE1 4.27Å; L510-F541 HydrophobicContact CD1-CB 4.36Å; L510-F541 HydrophobicContact CD1-CD1 3.77Å; L510-F541 HydrophobicContact CD1-CD2 4.18Å; L510-F541 HydrophobicContact CD1-CE1 4.08Å; L510-F541 HydrophobicContact CD1-CE2 4.47Å; L510-F541 HydrophobicContact CD1-CG 3.84Å; L510-F541 HydrophobicContact CD1-CZ 4.43Å; L510-F541 HydrophobicContact CD2-CB 4.3Å; L510-F541 HydrophobicContact CD2-CD1 4.37Å; F513-F541 HydrophobicContact CD1-CE2 4.49Å; F513-F541 AromaticContact CE1-CE2 3.87Å; F513-F541 HydrophobicContact CE1-CE2 3.87Å; F513-F541 AromaticContact CE1-CZ 3.89Å; F513-F541 HydrophobicContact CE1-CZ 3.89Å; I514-F541 HydrophobicContact CD1-CB 3.97Å; I514-F541 HydrophobicContact CD1-CD2 4.19Å; I514-F541 HydrophobicContact CD1-CG 4.35Å; I514-F541 HydrophobicContact CG1-CD2 4.01Å; M537-F541 HydrophobicContact CE-CD2 4.06Å; M537-F541 HydrophobicContact CE-CE2 3.54Å; M537-F541 VanDerWaalsContact O-CD2 3.31Å; M537-F541 WeakPolarHBondContact O-CD2 3.19Å; M537-F541 PolarHBondContact O-N 3.11Å; M537-F541 HydrophobicContact SD-CE2 4.06Å; I538-F541 PolarHBondContact O-N 3.48Å; F541-S543 PolarHBondContact O-N 2.8Å; F541-C544 VanDerWaalsContact O-CB 3.3Å; F541-C544 WeakPolarHBondContact O-CB 3.21Å; F541-C544 PolarHBondContact O-N 3.29Å; F541-C544 VanDerWaalsContact O-N 3.15Å; F541-F545 WeakPolarHBondContact O-CD2 3.36Å; F541-F545 WeakPolarHBondContact O-CE2 3.2Å; F541-L561 HydrophobicContact CB-CD2 4.08Å
542	S	89.1	Confident	79.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.2	177.9	61.2	0	0	0	0	112.9	I538 N539 C544 S557	I538-S542 VanDerWaalsContact O-CB 3.23Å; I538-S542 WeakPolarHBondContact O-CB 3.4Å; I538-S542 PolarHBondContact O-N 2.8Å; N539-S542 PolarHBondContact O-OG 3.05Å; S542-C544 VanDerWaalsContact C-N 3.3Å; S542-C544 PolarHBondContact O-N 3.42Å; S542-S557 WeakPolarHBondContact O-CB 2.98Å
543	S	85	Confident	78.8	Confident	41 Å²	41	36.6 Å²	36.6	29%	0.287	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-68.8	-25.5	177.7	52.3	0	0	0	0	113.4	F541 F545 A546 F547	F541-S543 PolarHBondContact O-N 2.8Å; S543-F545 PolarHBondContact O-N 3.27Å; S543-F545 VanDerWaalsContact O-N 3.08Å; S543-A546 PolarHBondContact O-N 2.96Å; S543-A546 VanDerWaalsContact O-N 3.14Å; S543-F547 WeakPolarHBondContact O-CD2 3.49Å
544	C	85.4	Confident	78.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.014	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.5	179.1	-66.1	0	0	0	0	113.3	F275 F284 L510 F541 S542	F275-C544 PolarHBondContact O-SG 3.37Å; F284-C544 HydrophobicContact CD2-CB 3.74Å; F284-C544 WeakPolarHBondContact CD2-O 2.9Å; F284-C544 HydrophobicContact CE2-CB 3.66Å; F284-C544 HydrophobicContact CG-CB 4.28Å; F284-C544 HydrophobicContact CZ-CB 4.16Å; L510-C544 HydrophobicContact CD2-CB 4.43Å; F541-C544 VanDerWaalsContact O-CB 3.3Å; F541-C544 WeakPolarHBondContact O-CB 3.21Å; F541-C544 PolarHBondContact O-N 3.29Å; F541-C544 VanDerWaalsContact O-N 3.15Å; S542-C544 VanDerWaalsContact C-N 3.3Å; S542-C544 PolarHBondContact O-N 3.42Å
545	F	77.8	Confident	78.2	Confident	7 Å²	7	43.3 Å²	43.3	3%	0.031	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-98.1	-9.4	-176.6	-54.6	-73.2	0	0	0	113.7	F284 I285 Y290 L507 L510 F541 S543 L561	F284-F545 HydrophobicContact CB-CD1 3.81Å; F284-F545 HydrophobicContact CB-CE1 3.86Å; F284-F545 HydrophobicContact CD1-CD1 4.46Å; F284-F545 AromaticContact CD1-CE1 3.68Å; F284-F545 HydrophobicContact CD1-CE1 3.68Å; F284-F545 HydrophobicContact CD1-CZ 4.18Å; F284-F545 HydrophobicContact CG-CD1 4.32Å; F284-F545 AromaticContact CG-CE1 3.97Å; F284-F545 HydrophobicContact CG-CE1 3.97Å; I285-F545 HydrophobicContact CD1-CD1 3.78Å; I285-F545 HydrophobicContact CD1-CG 4.44Å; I285-F545 HydrophobicContact CG1-CD1 3.91Å; Y290-F545 WeakPolarHBondContact CD2-O 3.08Å; Y290-F545 HydrophobicContact CE2-CB 4.23Å; Y290-F545 WeakPolarHBondContact CE2-O 3.21Å; L507-F545 HydrophobicContact CD2-CD1 3.98Å; L507-F545 HydrophobicContact CD2-CE1 3.24Å; L507-F545 HydrophobicContact CD2-CZ 4.04Å; L507-F545 HydrophobicContact CG-CE1 4.23Å; L510-F545 HydrophobicContact CD2-CE2 4.11Å; L510-F545 HydrophobicContact CD2-CZ 3.64Å; F541-F545 WeakPolarHBondContact O-CD2 3.36Å; F541-F545 WeakPolarHBondContact O-CE2 3.2Å; S543-F545 PolarHBondContact O-N 3.27Å; S543-F545 VanDerWaalsContact O-N 3.08Å; F545-L561 HydrophobicContact CD2-CB 4.4Å; F545-L561 HydrophobicContact CD2-CD1 4.1Å; F545-L561 HydrophobicContact CD2-CD2 4.23Å; F545-L561 HydrophobicContact CD2-CG 4.46Å; F545-L561 HydrophobicContact CE2-CB 4.43Å; F545-L561 HydrophobicContact CE2-CD1 3.33Å; F545-L561 HydrophobicContact CE2-CD2 3.78Å; F545-L561 HydrophobicContact CE2-CG 4.02Å; F545-L561 HydrophobicContact CZ-CD1 3.79Å
546	A	67.4	Low	78.2	Confident	26 Å²	26	44.5 Å²	44.5	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.4	-166.1	0	0	0	0	0	114.6	S543 H548 A549 S557	S543-A546 PolarHBondContact O-N 2.96Å; S543-A546 VanDerWaalsContact O-N 3.14Å; A546-H548 PolarHBondContact O-N 3.43Å; A546-A549 PolarHBondContact O-N 3.11Å; A546-A549 VanDerWaalsContact O-N 3.16Å; A546-S557 WeakPolarHBondContact CB-OG 3.48Å
547	F	63.9	Low	78.1	Confident	88 Å²	88	43 Å²	43	39%	0.386	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-33.9	-170.7	-89.1	-80	0	0	0	115	T276 S543	T276-F547 WeakPolarHBondContact O-CZ 3.45Å; S543-F547 WeakPolarHBondContact O-CD2 3.49Å
548	H	59.5	Low	78	Confident	103 Å²	103	44.2 Å²	44.2	48%	0.477	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	2.6	-173.9	-64.7	-67.3	0	0	0	114.4	D282 A546 V550	D282-H548 IonicContact OD1-NE2 3.86Å; A546-H548 PolarHBondContact O-N 3.43Å; H548-V550 PolarHBondContact O-N 3.22Å; H548-V550 VanDerWaalsContact O-N 3.13Å
549	A	59.3	Low	77.9	Confident	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.256	C	S	.	.			trans	-87.2	81.9	176.7	0	0	0	0	0	109	Y290 A546 S551 S552	Y290-A549 HydrophobicContact CD1-CB 3.61Å; Y290-A549 HydrophobicContact CE1-CB 3.7Å; Y290-A549 HydrophobicContact CG-CB 4.34Å; A546-A549 PolarHBondContact O-N 3.11Å; A546-A549 VanDerWaalsContact O-N 3.16Å; A549-S551 PolarHBondContact O-N 3.03Å; A549-S552 PolarHBondContact O-N 3.21Å
550	V	53.4	Low	78.1	Confident	154 Å²	154	43.7 Å²	43.7	93%	0.933	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-25.6	-177.5	178.6	0	0	0	0	113	H548	H548-V550 PolarHBondContact O-N 3.22Å; H548-V550 VanDerWaalsContact O-N 3.13Å
551	S	57	Low	78.3	Confident	97 Å²	97	43.1 Å²	43.1	68%	0.678	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-2.4	-177.8	56.9	0	0	0	0	115.7	A549	A549-S551 PolarHBondContact O-N 3.03Å
552	S	66.6	Low	78.3	Confident	27 Å²	27	43.3 Å²	43.3	19%	0.189	24%	0.239	C	C	.	.			trans	-84.2	129.7	-172.7	-165.1	0	0	0	0	112.6	Y290 A549	Y290-S552 VanDerWaalsContact CE1-OG 3.24Å; Y290-S552 WeakPolarHBondContact CE1-OG 3.24Å; Y290-S552 PolarHBondContact OH-OG 3.22Å; A549-S552 PolarHBondContact O-N 3.21Å
553	S	78.5	Confident	78.5	Confident	45 Å²	45	43.3 Å²	43.3	32%	0.315	24%	0.239	S	C	.	.			trans	-67.3	143.4	171.4	73.1	0	0	0	0	109.9	T555 D556 S557	S553-T555 VanDerWaalsContact CB-OG1 3.32Å; S553-T555 WeakPolarHBondContact CB-OG1 3.3Å; S553-T555 PolarHBondContact O-N 3.38Å; S553-T555 PolarHBondContact OG-OG1 3.33Å; S553-D556 PolarHBondContact N-OD2 3.42Å; S553-D556 WeakPolarHBondContact O-CB 3.21Å; S553-D556 PolarHBondContact O-N 2.67Å; S553-D556 PolarHBondContact OG-N 2.91Å; S553-D556 PolarHBondContact OG-OD2 3.32Å; S553-S557 PolarHBondContact O-N 2.87Å; S553-S557 PolarHBondContact O-OG 3.36Å
554	R	83.9	Confident	79	Confident	141 Å²	141	41.4 Å²	41.4	53%	0.532	23%	0.226	S	C	.	.	H	α-helix	trans	-48.4	-30	171.2	179.8	177.3	-178	93	8.2	111.7	N539 S557 I558	N539-R554 PolarHBondContact O-NH2 2.78Å; N539-R554 PolarHBondContact OD1-NH2 3.21Å; R554-S557 PolarHBondContact O-N 3.22Å; R554-I558 HydrophobicContact CG-CD1 4.09Å; R554-I558 WeakPolarHBondContact O-CG1 3.46Å; R554-I558 PolarHBondContact O-N 2.91Å; R554-I558 VanDerWaalsContact O-N 3.09Å
555	T	85.4	Confident	79.4	Confident	46 Å²	46	41.5 Å²	41.5	28%	0.282	23%	0.226	S	C	.	.	H	α-helix	trans	-77.6	-34.7	-174.9	49.5	0	0	0	0	111.7	M470 S553 S557 I558 R559	M470-T555 HydrophobicContact CE-CG2 3.39Å; M470-T555 HydrophobicContact CG-CG2 3.91Å; M470-T555 HydrophobicContact SD-CG2 3.12Å; M470-T555 WeakPolarHBondContact SD-CG2 3.31Å; S553-T555 VanDerWaalsContact CB-OG1 3.32Å; S553-T555 WeakPolarHBondContact CB-OG1 3.3Å; S553-T555 PolarHBondContact O-N 3.38Å; S553-T555 PolarHBondContact OG-OG1 3.33Å; T555-S557 VanDerWaalsContact C-N 3.35Å; T555-I558 PolarHBondContact O-N 3.47Å; T555-R559 WeakPolarHBondContact O-CB 3.49Å; T555-R559 PolarHBondContact O-N 3.28Å
556	D	87.7	Confident	80.1	Confident	39 Å²	39	43.4 Å²	43.4	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-40.8	169.1	-67.9	-44.1	0	0	0	111.4	L294 S553 I558 R559 L560	L294-D556 HydrophobicContact CD1-CB 4.24Å; L294-D556 HydrophobicContact CD2-CB 4.02Å; S553-D556 PolarHBondContact N-OD2 3.42Å; S553-D556 WeakPolarHBondContact O-CB 3.21Å; S553-D556 PolarHBondContact O-N 2.67Å; S553-D556 PolarHBondContact OG-N 2.91Å; S553-D556 PolarHBondContact OG-OD2 3.32Å; D556-I558 VanDerWaalsContact C-N 3.35Å; D556-I558 PolarHBondContact O-N 2.61Å; D556-R559 PolarHBondContact O-N 2.85Å; D556-R559 IonicContact OD1-CZ 2.89Å; D556-R559 IonicContact OD1-NE 2.63Å; D556-R559 IonicContact OD1-NH2 3.61Å; D556-R559 PolarHBondContact OD1-NH2 3.09Å; D556-L560 VanDerWaalsContact O-CB 3.23Å; D556-L560 WeakPolarHBondContact O-CB 3.4Å; D556-L560 PolarHBondContact O-N 3.46Å
557	S	89	Confident	81.4	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-39.7	178.4	-43.4	0	0	0	0	112	Y290 S542 A546 S553 R554 T555 L561	Y290-S557 PolarHBondContact OH-OG 3.03Å; S542-S557 WeakPolarHBondContact O-CB 2.98Å; A546-S557 WeakPolarHBondContact CB-OG 3.48Å; S553-S557 PolarHBondContact O-N 2.87Å; S553-S557 PolarHBondContact O-OG 3.36Å; R554-S557 PolarHBondContact O-N 3.22Å; T555-S557 VanDerWaalsContact C-N 3.35Å; S557-L561 VanDerWaalsContact O-CB 3.25Å; S557-L561 WeakPolarHBondContact O-CB 3.24Å; S557-L561 PolarHBondContact O-N 3.29Å
558	I	89.8	Confident	82.8	Confident	24 Å²	24	39.2 Å²	39.2	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-47	173.2	-71.9	168.6	0	0	0	110.5	I538 R554 T555 D556 L561 S562	I538-I558 HydrophobicContact CG2-CG2 3.94Å; R554-I558 HydrophobicContact CG-CD1 4.09Å; R554-I558 WeakPolarHBondContact O-CG1 3.46Å; R554-I558 PolarHBondContact O-N 2.91Å; R554-I558 VanDerWaalsContact O-N 3.09Å; T555-I558 PolarHBondContact O-N 3.47Å; D556-I558 VanDerWaalsContact C-N 3.35Å; D556-I558 PolarHBondContact O-N 2.61Å; I558-L561 PolarHBondContact O-N 2.89Å; I558-S562 WeakPolarHBondContact O-CB 3.47Å; I558-S562 PolarHBondContact O-N 3.44Å
559	R	89.1	Confident	84.2	Confident	46 Å²	46	37 Å²	37	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-48.5	-179.6	-175.5	174.8	60.5	124.8	-3.5	111.1	L297 D298 E301 Y478 T555 D556 C563	L297-R559 HydrophobicContact CD2-CG 3.96Å; D298-R559 IonicContact OD1-CZ 3.52Å; D298-R559 VanDerWaalsContact OD1-CZ 3.28Å; D298-R559 IonicContact OD1-NH1 2.74Å; D298-R559 PolarHBondContact OD1-NH1 3.47Å; D298-R559 IonicContact OD1-NH2 3.88Å; D298-R559 PolarHBondContact OD1-NH2 3.46Å; E301-R559 VanDerWaalsContact CD-NH1 3.27Å; E301-R559 IonicContact OE1-CZ 2.91Å; E301-R559 IonicContact OE1-NH1 2.78Å; E301-R559 PolarHBondContact OE1-NH1 3.44Å; E301-R559 IonicContact OE2-NH1 3.63Å; E301-R559 PolarHBondContact OE2-NH1 3.3Å; Y478-R559 WeakPolarHBondContact OH-CG 3.13Å; Y478-R559 PolarHBondContact OH-O 2.92Å; T555-R559 WeakPolarHBondContact O-CB 3.49Å; T555-R559 PolarHBondContact O-N 3.28Å; D556-R559 PolarHBondContact O-N 2.85Å; D556-R559 IonicContact OD1-CZ 2.89Å; D556-R559 IonicContact OD1-NE 2.63Å; D556-R559 IonicContact OD1-NH2 3.61Å; D556-R559 PolarHBondContact OD1-NH2 3.09Å; R559-C563 PolarHBondContact O-N 2.68Å; R559-C563 VanDerWaalsContact O-N 3.07Å
560	L	92.2	Very high	85.8	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-50.1	177	176.9	59.4	0	0	0	111.8	I285 Y290 F293 L294 L297 D556 S562 C563 L564	I285-L560 HydrophobicContact CD1-CD2 4.39Å; Y290-L560 HydrophobicContact CD2-CD2 3.98Å; Y290-L560 HydrophobicContact CE2-CD2 3.64Å; F293-L560 HydrophobicContact CB-CD1 3.86Å; F293-L560 HydrophobicContact CB-CD2 4.03Å; L294-L560 HydrophobicContact CD2-CB 3.95Å; L294-L560 HydrophobicContact CD2-CD2 4.11Å; L294-L560 HydrophobicContact CD2-CG 4.46Å; L294-L560 HydrophobicContact CG-CD2 4.43Å; L297-L560 HydrophobicContact CD2-CB 4.42Å; L297-L560 HydrophobicContact CD2-CD1 4.41Å; D556-L560 VanDerWaalsContact O-CB 3.23Å; D556-L560 WeakPolarHBondContact O-CB 3.4Å; D556-L560 PolarHBondContact O-N 3.46Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 2.98Å; L560-C563 PolarHBondContact O-N 3.43Å; L560-L564 HydrophobicContact CD1-CD1 4.03Å; L560-L564 HydrophobicContact CD1-CG 3.97Å; L560-L564 HydrophobicContact CG-CD1 3.99Å; L560-L564 HydrophobicContact CG-CG 4.35Å; L560-L564 WeakPolarHBondContact O-CB 3.23Å; L560-L564 WeakPolarHBondContact O-CG 3.5Å; L560-L564 PolarHBondContact O-N 3.02Å
561	L	93.1	Very high	87.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-41.3	-179.9	179.4	56.7	0	0	0	111.7	I514 I538 F541 F545 S557 I558 C563 L564 V565	I514-L561 HydrophobicContact CD1-CD1 4.1Å; I514-L561 HydrophobicContact CD1-CD2 4.16Å; I514-L561 HydrophobicContact CD1-CG 4.48Å; I538-L561 HydrophobicContact CD1-CD2 4.23Å; I538-L561 HydrophobicContact CD1-CG 3.83Å; I538-L561 HydrophobicContact CG2-CD2 4.4Å; I538-L561 WeakPolarHBondContact O-CD2 3.17Å; F541-L561 HydrophobicContact CB-CD2 4.08Å; F545-L561 HydrophobicContact CD2-CB 4.4Å; F545-L561 HydrophobicContact CD2-CD1 4.1Å; F545-L561 HydrophobicContact CD2-CD2 4.23Å; F545-L561 HydrophobicContact CD2-CG 4.46Å; F545-L561 HydrophobicContact CE2-CB 4.43Å; F545-L561 HydrophobicContact CE2-CD1 3.33Å; F545-L561 HydrophobicContact CE2-CD2 3.78Å; F545-L561 HydrophobicContact CE2-CG 4.02Å; F545-L561 HydrophobicContact CZ-CD1 3.79Å; S557-L561 VanDerWaalsContact O-CB 3.25Å; S557-L561 WeakPolarHBondContact O-CB 3.24Å; S557-L561 PolarHBondContact O-N 3.29Å; I558-L561 PolarHBondContact O-N 2.89Å; L561-C563 VanDerWaalsContact C-N 3.35Å; L561-C563 PolarHBondContact O-N 3.13Å; L561-L564 PolarHBondContact O-N 3.18Å; L561-V565 HydrophobicContact CD1-CG2 3.96Å; L561-V565 HydrophobicContact CG-CG2 4.42Å; L561-V565 WeakPolarHBondContact O-CB 3.23Å; L561-V565 VanDerWaalsContact O-CG2 3.29Å; L561-V565 WeakPolarHBondContact O-CG2 3.38Å; L561-V565 PolarHBondContact O-N 3.44Å
562	S	91.7	Very high	89.6	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-48.3	175.2	-172.1	0	0	0	0	111.1	R534 I558 L560 V565 D566	R534-S562 PolarHBondContact NH2-OG 2.98Å; I558-S562 WeakPolarHBondContact O-CB 3.47Å; I558-S562 PolarHBondContact O-N 3.44Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 2.98Å; S562-V565 PolarHBondContact O-N 3.42Å; S562-D566 VanDerWaalsContact O-CG 3.23Å; S562-D566 PolarHBondContact O-N 2.93Å; S562-D566 VanDerWaalsContact O-OD2 3.11Å
563	C	93.4	Very high	90.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-50.9	177.5	-176.9	0	0	0	0	111.5	L297 Y478 R559 L560 L561 V565 D566 F567	L297-C563 HydrophobicContact CD1-CB 3.99Å; L297-C563 HydrophobicContact CD2-CB 4.36Å; Y478-C563 HydrophobicContact CD2-CB 4.09Å; Y478-C563 HydrophobicContact CE1-CB 4.25Å; Y478-C563 HydrophobicContact CE2-CB 3.61Å; R559-C563 PolarHBondContact O-N 2.68Å; R559-C563 VanDerWaalsContact O-N 3.07Å; L560-C563 PolarHBondContact O-N 3.43Å; L561-C563 VanDerWaalsContact C-N 3.35Å; L561-C563 PolarHBondContact O-N 3.13Å; C563-V565 VanDerWaalsContact C-N 3.3Å; C563-V565 PolarHBondContact O-N 3.48Å; C563-D566 WeakPolarHBondContact O-CB 3.41Å; C563-D566 PolarHBondContact O-N 3.45Å; C563-D566 VanDerWaalsContact O-N 3.1Å; C563-F567 WeakPolarHBondContact O-CD2 3.19Å; C563-F567 PolarHBondContact O-N 2.8Å; C563-F567 VanDerWaalsContact O-N 3.11Å
564	L	95	Very high	91.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-54.9	-46.4	178.5	-73.5	177.5	0	0	0	111.3	I285 F293 L492 M511 L560 L561 D566 F567 Q568 I571	I285-L564 HydrophobicContact CD1-CD1 4.1Å; F293-L564 HydrophobicContact CD1-CD2 4.39Å; L492-L564 HydrophobicContact CD1-CD2 4.4Å; L492-L564 HydrophobicContact CD2-CD2 4.01Å; M511-L564 HydrophobicContact CE-CB 3.61Å; M511-L564 WeakPolarHBondContact CE-O 3.31Å; M511-L564 HydrophobicContact SD-CB 4.22Å; L560-L564 HydrophobicContact CD1-CD1 4.03Å; L560-L564 HydrophobicContact CD1-CG 3.97Å; L560-L564 HydrophobicContact CG-CD1 3.99Å; L560-L564 HydrophobicContact CG-CG 4.35Å; L560-L564 WeakPolarHBondContact O-CB 3.23Å; L560-L564 WeakPolarHBondContact O-CG 3.5Å; L560-L564 PolarHBondContact O-N 3.02Å; L561-L564 PolarHBondContact O-N 3.18Å; L564-D566 PolarHBondContact O-N 3.17Å; L564-F567 CarbonylContact O-C 3.31Å; L564-F567 PolarHBondContact O-N 3.36Å; L564-Q568 PolarHBondContact O-N 3.36Å; L564-I571 HydrophobicContact CD2-CD1 4.07Å
565	V	94	Very high	92.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-41.5	178.4	170.1	0	0	0	0	111.7	M511 I514 E515 I538 L561 S562 C563 F567 Q568	M511-V565 HydrophobicContact CB-CG2 4.41Å; M511-V565 HydrophobicContact CG-CG2 4.41Å; I514-V565 HydrophobicContact CB-CG2 4.24Å; I514-V565 HydrophobicContact CD1-CG2 4.31Å; I514-V565 HydrophobicContact CG2-CG1 4.08Å; I514-V565 HydrophobicContact CG2-CG2 3.89Å; E515-V565 HydrophobicContact CB-CG1 4.22Å; E515-V565 WeakPolarHBondContact OE2-CG1 3.29Å; I538-V565 HydrophobicContact CD1-CB 4.2Å; I538-V565 HydrophobicContact CD1-CG2 3.87Å; L561-V565 HydrophobicContact CD1-CG2 3.96Å; L561-V565 HydrophobicContact CG-CG2 4.42Å; L561-V565 WeakPolarHBondContact O-CB 3.23Å; L561-V565 VanDerWaalsContact O-CG2 3.29Å; L561-V565 WeakPolarHBondContact O-CG2 3.38Å; L561-V565 PolarHBondContact O-N 3.44Å; S562-V565 PolarHBondContact O-N 3.42Å; C563-V565 VanDerWaalsContact C-N 3.3Å; C563-V565 PolarHBondContact O-N 3.48Å; V565-F567 PolarHBondContact O-N 3.34Å; V565-Q568 WeakPolarHBondContact O-CB 3.25Å; V565-Q568 PolarHBondContact O-N 3.22Å; V565-Q568 VanDerWaalsContact O-N 3.13Å
566	D	92.6	Very high	92.4	Very high	48 Å²	48	27 Å²	27	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-27.2	177.8	-67.6	-27.9	0	0	0	113.7	R534 S562 C563 L564	R534-D566 IonicContact CZ-OD1 3.28Å; R534-D566 IonicContact NH1-OD1 3.48Å; R534-D566 PolarHBondContact NH1-OD1 3.01Å; R534-D566 VanDerWaalsContact NH2-CG 3.27Å; R534-D566 IonicContact NH2-OD1 2.84Å; R534-D566 PolarHBondContact NH2-OD1 3.17Å; R534-D566 IonicContact NH2-OD2 3.94Å; R534-D566 PolarHBondContact NH2-OD2 3.22Å; S562-D566 VanDerWaalsContact O-CG 3.23Å; S562-D566 PolarHBondContact O-N 2.93Å; S562-D566 VanDerWaalsContact O-OD2 3.11Å; C563-D566 WeakPolarHBondContact O-CB 3.41Å; C563-D566 PolarHBondContact O-N 3.45Å; C563-D566 VanDerWaalsContact O-N 3.1Å; L564-D566 PolarHBondContact O-N 3.17Å
567	F	94.1	Very high	92.7	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-99.1	-1.5	177.9	-80.7	-80.5	0	0	0	113.7	F479 R485 T488 L492 C563 L564 V565 G569 E570 I571	F479-F567 AromaticContact CD2-CE2 3.97Å; F479-F567 HydrophobicContact CD2-CE2 3.97Å; F479-F567 AromaticContact CD2-CZ 3.78Å; F479-F567 HydrophobicContact CD2-CZ 3.78Å; F479-F567 AromaticContact CE2-CE2 3.67Å; F479-F567 HydrophobicContact CE2-CE2 3.67Å; F479-F567 AromaticContact CE2-CZ 3.83Å; F479-F567 HydrophobicContact CE2-CZ 3.83Å; R485-F567 HydrophobicContact CB-CZ 4.45Å; R485-F567 HydrophobicContact CG-CE1 3.49Å; R485-F567 VanDerWaalsContact CG-CE1 3.49Å; R485-F567 HydrophobicContact CG-CZ 3.63Å; R485-F567 WeakPolarHBondContact O-CE1 3.49Å; T488-F567 HydrophobicContact CG2-CE2 4.47Å; T488-F567 HydrophobicContact CG2-CZ 4.41Å; L492-F567 HydrophobicContact CD1-CB 4.25Å; L492-F567 HydrophobicContact CD1-CD2 4.11Å; L492-F567 HydrophobicContact CD1-CG 4.18Å; C563-F567 WeakPolarHBondContact O-CD2 3.19Å; C563-F567 PolarHBondContact O-N 2.8Å; C563-F567 VanDerWaalsContact O-N 3.11Å; L564-F567 CarbonylContact O-C 3.31Å; L564-F567 PolarHBondContact O-N 3.36Å; V565-F567 PolarHBondContact O-N 3.34Å; F567-G569 PolarHBondContact O-N 2.93Å; F567-G569 VanDerWaalsContact O-N 3.08Å; F567-E570 PolarHBondContact O-N 3.02Å; F567-I571 HydrophobicContact CB-CD1 4.26Å; F567-I571 HydrophobicContact CB-CG2 3.63Å; F567-I571 HydrophobicContact CD1-CG2 4.45Å; F567-I571 HydrophobicContact CG-CG2 4.39Å; F567-I571 WeakPolarHBondContact O-CG1 3.42Å; F567-I571 PolarHBondContact O-N 3.22Å
568	Q	93.1	Very high	93	Very high	24 Å²	24	26.7 Å²	26.7	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-52.4	-40.4	-171.3	-178.1	-78.8	-67.9	0	0	112.9	M511 R512 L564 V565 E570 F572	M511-Q568 HydrophobicContact CB-CB 4.28Å; M511-Q568 HydrophobicContact CB-CG 3.65Å; M511-Q568 HydrophobicContact CE-CB 3.79Å; M511-Q568 HydrophobicContact CE-CG 4.03Å; R512-Q568 HydrophobicContact CG-CG 4.09Å; R512-Q568 VanDerWaalsContact CG-NE2 3.25Å; L564-Q568 PolarHBondContact O-N 3.36Å; V565-Q568 WeakPolarHBondContact O-CB 3.25Å; V565-Q568 PolarHBondContact O-N 3.22Å; V565-Q568 VanDerWaalsContact O-N 3.13Å; Q568-E570 PolarHBondContact O-N 3.15Å; Q568-F572 HydrophobicContact CG-CE2 4.33Å; Q568-F572 WeakPolarHBondContact O-CD2 3.3Å
569	G	90.6	Very high	93.2	Very high	56 Å²	56	26.8 Å²	26.8	58%	0.577	17%	0.173	S	C	*	.	H	α-helix	trans	-63.7	-22.6	-179.2	0	0	0	0	0	114.3	F567 N573	F567-G569 PolarHBondContact O-N 2.93Å; F567-G569 VanDerWaalsContact O-N 3.08Å; G569-N573 PolarHBondContact O-ND2 2.85Å; G569-N573 VanDerWaalsContact O-ND2 3.15Å
570	E	91.5	Very high	93.6	Very high	80 Å²	80	29.7 Å²	29.7	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-107.4	-46.8	-172.5	-61.7	173.1	-142.8	0	0	112	R485 S489 F567 Q568 F572 N573	R485-E570 IonicContact CZ-OE1 3.62Å; R485-E570 IonicContact NE-OE1 2.69Å; R485-E570 IonicContact NH2-OE1 2.97Å; R485-E570 PolarHBondContact NH2-OE1 2.75Å; S489-E570 WeakPolarHBondContact OG-CB 3.06Å; S489-E570 PolarHBondContact OG-OE2 3.09Å; F567-E570 PolarHBondContact O-N 3.02Å; Q568-E570 PolarHBondContact O-N 3.15Å; E570-F572 VanDerWaalsContact C-N 3.26Å; E570-F572 PolarHBondContact O-N 3.08Å; E570-F572 VanDerWaalsContact O-N 3.13Å; E570-N573 WeakPolarHBondContact O-CB 3.32Å; E570-N573 PolarHBondContact O-N 3.47Å; E570-N573 PolarHBondContact O-ND2 3.24Å
571	I	95.6	Very high	93.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-71.4	-13.2	-165.4	63.1	-179.9	0	0	0	115.4	L492 A493 L496 M511 L564 F567 N573	L492-I571 HydrophobicContact CB-CB 4.36Å; L492-I571 HydrophobicContact CB-CG2 3.72Å; L492-I571 HydrophobicContact CD1-CG2 4.29Å; A493-I571 VanDerWaalsContact CA-O 3.28Å; A493-I571 WeakPolarHBondContact CA-O 3.31Å; A493-I571 HydrophobicContact CB-CB 4.31Å; A493-I571 VanDerWaalsContact CB-O 3.3Å; A493-I571 WeakPolarHBondContact CB-O 3.33Å; L496-I571 HydrophobicContact CD1-CB 3.93Å; L496-I571 HydrophobicContact CD1-CD1 3.58Å; L496-I571 HydrophobicContact CD1-CG1 3.56Å; M511-I571 HydrophobicContact CE-CD1 3.76Å; L564-I571 HydrophobicContact CD2-CD1 4.07Å; F567-I571 HydrophobicContact CB-CD1 4.26Å; F567-I571 HydrophobicContact CB-CG2 3.63Å; F567-I571 HydrophobicContact CD1-CG2 4.45Å; F567-I571 HydrophobicContact CG-CG2 4.39Å; F567-I571 WeakPolarHBondContact O-CG1 3.42Å; F567-I571 PolarHBondContact O-N 3.22Å; I571-N573 VanDerWaalsContact C-N 3.34Å
572	F	94.8	Very high	94	Very high	12 Å²	12	31.9 Å²	31.9	5%	0.053	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.5	173.9	-73.8	-80.5	0	0	0	113.2	L496 R504 L507 Q508 M511 Q568 E570	L496-F572 HydrophobicContact CD1-CD1 4.14Å; L496-F572 HydrophobicContact CD1-CD2 4.37Å; L496-F572 HydrophobicContact CD1-CE1 3.79Å; L496-F572 HydrophobicContact CD1-CE2 4.07Å; L496-F572 HydrophobicContact CD1-CG 4.41Å; L496-F572 HydrophobicContact CD1-CZ 3.75Å; L496-F572 HydrophobicContact CD2-CE1 4.37Å; L496-F572 HydrophobicContact CD2-CZ 4.34Å; R504-F572 HydrophobicContact CG-CD1 4.37Å; R504-F572 HydrophobicContact CG-CE1 4.02Å; R504-F572 PolarHBondContact NH2-O 3.16Å; R504-F572 WeakPolarHBondContact O-CE1 3.38Å; L507-F572 HydrophobicContact CB-CZ 4.23Å; Q508-F572 HydrophobicContact CB-CD1 3.74Å; Q508-F572 HydrophobicContact CB-CD2 4.42Å; Q508-F572 HydrophobicContact CB-CE1 3.37Å; Q508-F572 HydrophobicContact CB-CE2 4.08Å; Q508-F572 HydrophobicContact CB-CG 4.27Å; Q508-F572 HydrophobicContact CB-CZ 3.55Å; Q508-F572 HydrophobicContact CG-CB 4.47Å; Q508-F572 HydrophobicContact CG-CD1 3.64Å; Q508-F572 HydrophobicContact CG-CD2 3.85Å; Q508-F572 HydrophobicContact CG-CE1 3.77Å; Q508-F572 HydrophobicContact CG-CE2 3.95Å; Q508-F572 HydrophobicContact CG-CG 3.69Å; Q508-F572 HydrophobicContact CG-CZ 3.92Å; M511-F572 HydrophobicContact CE-CE2 3.92Å; M511-F572 HydrophobicContact SD-CE2 3.81Å; M511-F572 HydrophobicContact SD-CZ 3.88Å; Q568-F572 HydrophobicContact CG-CE2 4.33Å; Q568-F572 WeakPolarHBondContact O-CD2 3.3Å; E570-F572 VanDerWaalsContact C-N 3.26Å; E570-F572 PolarHBondContact O-N 3.08Å; E570-F572 VanDerWaalsContact O-N 3.13Å
573	N	92.7	Very high	94.1	Very high	90 Å²	90	36.7 Å²	36.7	48%	0.481	23%	0.225	S	C	.	.	S	Bend	trans	-80.2	160.5	171.5	-56.7	-54.8	0	0	0	110.5	G569 E570 I571	G569-N573 PolarHBondContact O-ND2 2.85Å; G569-N573 VanDerWaalsContact O-ND2 3.15Å; E570-N573 WeakPolarHBondContact O-CB 3.32Å; E570-N573 PolarHBondContact O-N 3.47Å; E570-N573 PolarHBondContact O-ND2 3.24Å; I571-N573 VanDerWaalsContact C-N 3.34Å
574	L	93.8	Very high	94.2	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.346	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-73.9	128.3	175.9	-163	73.7	0	0	0	109.4	W181 A216 L497 L578	W181-L574 HydrophobicContact CH2-CD2 4.21Å; W181-L574 HydrophobicContact CZ3-CD1 4.26Å; W181-L574 HydrophobicContact CZ3-CD2 4.45Å; A216-L574 HydrophobicContact CB-CD1 3.85Å; L497-L574 HydrophobicContact CD1-CD1 4.07Å; L497-L574 HydrophobicContact CD2-CD1 4.43Å; L574-L578 HydrophobicContact CD1-CD2 3.87Å; L574-L578 HydrophobicContact CG-CD2 4.21Å
575	P	94.8	Very high	94.1	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.052	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-55.1	143.8	178.1	-25.2	31.5	0	0	0	113	A493 I494 G577 L578	A493-P575 HydrophobicContact CB-CG 3.79Å; I494-P575 HydrophobicContact CG1-CG 3.95Å; P575-G577 PolarHBondContact O-N 3.18Å; P575-L578 HydrophobicContact CB-CB 4.28Å; P575-L578 HydrophobicContact CG-CD2 4.18Å; P575-L578 VanDerWaalsContact O-CB 3.23Å; P575-L578 WeakPolarHBondContact O-CB 3.43Å; P575-L578 PolarHBondContact O-N 3.26Å
576	G	92.5	Very high	94.1	Very high	57 Å²	57	46.4 Å²	46.4	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	135.9	-178.4	0	0	0	0	0	112.6	R188 L578	R188-G576 PolarHBondContact NH1-O 3.18Å; R188-G576 PolarHBondContact NH2-O 3.23Å; G576-L578 PolarHBondContact O-N 2.9Å; G576-L578 VanDerWaalsContact O-N 3.07Å
577	G	93.2	Very high	94	Very high	34 Å²	34	48.8 Å²	48.8	35%	0.351	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-6.5	179.1	0	0	0	0	0	115.1	R188 P575 S579 E580 S581	R188-G577 PolarHBondContact NH2-O 3.43Å; R188-G577 VanDerWaalsContact NH2-O 3.07Å; P575-G577 PolarHBondContact O-N 3.18Å; G577-S579 VanDerWaalsContact C-N 3.34Å; G577-S579 PolarHBondContact O-N 3.33Å; G577-E580 VanDerWaalsContact C-OE2 3.24Å; G577-E580 WeakPolarHBondContact CA-OE2 3.35Å; G577-E580 PolarHBondContact O-N 3.17Å; G577-S581 PolarHBondContact O-N 3.41Å; G577-S581 PolarHBondContact O-OG 3.3Å; G577-S581 VanDerWaalsContact O-OG 3.11Å
578	L	95.6	Very high	93.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-43.4	-174.7	-177.1	69.9	0	0	0	110.8	W181 V184 R188 L497 L574 P575 G576 E580 S581 V582	W181-L578 HydrophobicContact CE3-CD2 4.38Å; W181-L578 HydrophobicContact CE3-CG 4.47Å; W181-L578 HydrophobicContact CZ3-CD2 3.93Å; W181-L578 HydrophobicContact CZ3-CG 3.96Å; V184-L578 HydrophobicContact CB-CD1 4.41Å; V184-L578 HydrophobicContact CG1-CD1 3.59Å; R188-L578 VanDerWaalsContact NH2-CA 3.34Å; R188-L578 VanDerWaalsContact NH2-N 3.15Å; L497-L578 HydrophobicContact CD1-CD2 3.64Å; L574-L578 HydrophobicContact CD1-CD2 3.87Å; L574-L578 HydrophobicContact CG-CD2 4.21Å; P575-L578 HydrophobicContact CB-CB 4.28Å; P575-L578 HydrophobicContact CG-CD2 4.18Å; P575-L578 VanDerWaalsContact O-CB 3.23Å; P575-L578 WeakPolarHBondContact O-CB 3.43Å; P575-L578 PolarHBondContact O-N 3.26Å; G576-L578 PolarHBondContact O-N 2.9Å; G576-L578 VanDerWaalsContact O-N 3.07Å; L578-E580 VanDerWaalsContact C-N 3.29Å; L578-E580 PolarHBondContact O-N 3.38Å; L578-S581 PolarHBondContact O-N 2.76Å; L578-V582 VanDerWaalsContact O-CG2 3.3Å; L578-V582 WeakPolarHBondContact O-CG2 3.05Å; L578-V582 PolarHBondContact O-N 3.34Å
579	S	95.1	Very high	93.5	Very high	26 Å²	26	52.9 Å²	52.9	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-39.4	177.3	-170.2	0	0	0	0	111.5	G577 V582 K583	G577-S579 VanDerWaalsContact C-N 3.34Å; G577-S579 PolarHBondContact O-N 3.33Å; S579-V582 PolarHBondContact O-N 3.28Å; S579-K583 WeakPolarHBondContact O-CB 3.21Å; S579-K583 WeakPolarHBondContact O-CD 3.32Å; S579-K583 WeakPolarHBondContact O-CG 3.33Å; S579-K583 PolarHBondContact O-N 3.43Å; S579-K583 VanDerWaalsContact OG-CE 3.25Å; S579-K583 WeakPolarHBondContact OG-CE 3.18Å; S579-K583 PolarHBondContact OG-NZ 2.98Å; S579-K583 VanDerWaalsContact OG-NZ 3.09Å
580	E	96.1	Very high	93.3	Very high	108 Å²	108	53.2 Å²	53.2	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-66.9	-46.3	179.2	-67.7	61	-133.9	0	0	110.8	G577 L578 V582 K583 A584	G577-E580 VanDerWaalsContact C-OE2 3.24Å; G577-E580 WeakPolarHBondContact CA-OE2 3.35Å; G577-E580 PolarHBondContact O-N 3.17Å; L578-E580 VanDerWaalsContact C-N 3.29Å; L578-E580 PolarHBondContact O-N 3.38Å; E580-V582 VanDerWaalsContact C-N 3.33Å; E580-V582 PolarHBondContact O-N 3.39Å; E580-K583 PolarHBondContact O-N 3.43Å; E580-K583 IonicContact OE1-NZ 3.76Å; E580-A584 WeakPolarHBondContact O-CB 3.45Å; E580-A584 PolarHBondContact O-N 3Å
581	S	96.9	Very high	92.7	Very high	48 Å²	48	52.4 Å²	52.4	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-44.6	174.2	-61.6	0	0	0	0	111.6	R188 G577 L578 A584 R585	R188-S581 PolarHBondContact NH2-OG 3.32Å; G577-S581 PolarHBondContact O-N 3.41Å; G577-S581 PolarHBondContact O-OG 3.3Å; G577-S581 VanDerWaalsContact O-OG 3.11Å; L578-S581 PolarHBondContact O-N 2.76Å; S581-A584 PolarHBondContact O-N 3.03Å; S581-R585 PolarHBondContact O-N 3.46Å
582	V	96.6	Very high	91.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-44.5	178.1	171.7	0	0	0	0	111.5	F180 W181 V184 L578 S579 E580 A584 R585 M586	F180-V582 HydrophobicContact CB-CG1 4.3Å; W181-V582 HydrophobicContact CD2-CB 4.46Å; W181-V582 HydrophobicContact CD2-CG1 3.97Å; W181-V582 HydrophobicContact CD2-CG2 3.97Å; W181-V582 HydrophobicContact CE3-CB 4.48Å; W181-V582 HydrophobicContact CE3-CG1 4.47Å; W181-V582 HydrophobicContact CE3-CG2 3.71Å; W181-V582 HydrophobicContact CG-CG1 4.23Å; W181-V582 HydrophobicContact CG-CG2 4.5Å; W181-V582 HydrophobicContact CZ2-CG1 4.22Å; W181-V582 HydrophobicContact CZ3-CG2 4.01Å; V184-V582 HydrophobicContact CB-CG2 3.8Å; V184-V582 HydrophobicContact CG1-CG2 4.06Å; V184-V582 HydrophobicContact CG2-CG2 3.76Å; L578-V582 VanDerWaalsContact O-CG2 3.3Å; L578-V582 WeakPolarHBondContact O-CG2 3.05Å; L578-V582 PolarHBondContact O-N 3.34Å; S579-V582 PolarHBondContact O-N 3.28Å; E580-V582 VanDerWaalsContact C-N 3.33Å; E580-V582 PolarHBondContact O-N 3.39Å; V582-A584 VanDerWaalsContact C-N 3.34Å; V582-A584 PolarHBondContact O-N 3.43Å; V582-R585 PolarHBondContact O-N 2.92Å; V582-M586 HydrophobicContact CG1-CE 3.36Å; V582-M586 HydrophobicContact CG1-SD 4.11Å; V582-M586 VanDerWaalsContact O-CG 3.29Å; V582-M586 WeakPolarHBondContact O-CG 3.41Å; V582-M586 PolarHBondContact O-N 3.39Å
583	K	95.1	Very high	89.6	Confident	105 Å²	105	57.2 Å²	57.2	46%	0.457	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-40.5	175.5	-74.5	164.9	-174.6	157.3	0	111.9	S579 E580 R585 M586 N587	S579-K583 WeakPolarHBondContact O-CB 3.21Å; S579-K583 WeakPolarHBondContact O-CD 3.32Å; S579-K583 WeakPolarHBondContact O-CG 3.33Å; S579-K583 PolarHBondContact O-N 3.43Å; S579-K583 VanDerWaalsContact OG-CE 3.25Å; S579-K583 WeakPolarHBondContact OG-CE 3.18Å; S579-K583 PolarHBondContact OG-NZ 2.98Å; S579-K583 VanDerWaalsContact OG-NZ 3.09Å; E580-K583 PolarHBondContact O-N 3.43Å; E580-K583 IonicContact OE1-NZ 3.76Å; K583-R585 VanDerWaalsContact C-N 3.33Å; K583-M586 WeakPolarHBondContact O-CB 3.4Å; K583-M586 PolarHBondContact O-N 3.38Å; K583-N587 WeakPolarHBondContact O-CB 3.43Å; K583-N587 PolarHBondContact O-N 3.19Å; K583-N587 PolarHBondContact O-ND2 3.48Å
584	A	93.9	Very high	87.6	Confident	59 Å²	59	59.6 Å²	59.6	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.8	0	0	0	0	0	110.8	E580 S581 V582 M586 N587 Q588	E580-A584 WeakPolarHBondContact O-CB 3.45Å; E580-A584 PolarHBondContact O-N 3Å; S581-A584 PolarHBondContact O-N 3.03Å; V582-A584 VanDerWaalsContact C-N 3.34Å; V582-A584 PolarHBondContact O-N 3.43Å; A584-M586 PolarHBondContact O-N 2.8Å; A584-N587 PolarHBondContact O-N 3.1Å; A584-Q588 WeakPolarHBondContact O-CB 3.36Å; A584-Q588 PolarHBondContact O-N 2.74Å
585	R	93.6	Very high	85.5	Confident	123 Å²	123	62.2 Å²	62.2	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-39.9	176.2	-157.5	67.3	168.8	129.3	-0.2	112.6	F180 S581 V582 K583 Q588 A589	F180-R585 HydrophobicContact CD1-CB 4.22Å; F180-R585 HydrophobicContact CD1-CG 3.55Å; F180-R585 HydrophobicContact CE1-CG 3.92Å; F180-R585 HydrophobicContact CG-CG 4.39Å; S581-R585 PolarHBondContact O-N 3.46Å; V582-R585 PolarHBondContact O-N 2.92Å; K583-R585 VanDerWaalsContact C-N 3.33Å; R585-Q588 PolarHBondContact O-N 3.02Å; R585-A589 WeakPolarHBondContact O-CB 3.43Å; R585-A589 PolarHBondContact O-N 2.91Å
586	M	93.2	Very high	83.2	Confident	26 Å²	26	66.2 Å²	66.2	13%	0.128	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-45.6	173.4	-71	171.3	-179.9	0	0	111.7	L172 I177 F180 V582 K583 A584 Q588 A589 R590	L172-M586 HydrophobicContact CD1-CB 3.74Å; L172-M586 HydrophobicContact CD1-CG 3.91Å; I177-M586 HydrophobicContact CB-CE 4.12Å; I177-M586 HydrophobicContact CG1-CE 4.09Å; I177-M586 HydrophobicContact CG2-CE 3.68Å; F180-M586 HydrophobicContact CB-CE 4.36Å; F180-M586 HydrophobicContact CD2-CE 4.36Å; F180-M586 HydrophobicContact CD2-CG 3.69Å; F180-M586 HydrophobicContact CE2-CG 4.27Å; F180-M586 HydrophobicContact CG-CG 4.34Å; V582-M586 HydrophobicContact CG1-CE 3.36Å; V582-M586 HydrophobicContact CG1-SD 4.11Å; V582-M586 VanDerWaalsContact O-CG 3.29Å; V582-M586 WeakPolarHBondContact O-CG 3.41Å; V582-M586 PolarHBondContact O-N 3.39Å; K583-M586 WeakPolarHBondContact O-CB 3.4Å; K583-M586 PolarHBondContact O-N 3.38Å; A584-M586 PolarHBondContact O-N 2.8Å; M586-Q588 VanDerWaalsContact C-N 3.35Å; M586-A589 PolarHBondContact O-N 3.13Å; M586-R590 WeakPolarHBondContact O-CG 3.3Å; M586-R590 PolarHBondContact O-N 2.8Å
587	N	90.5	Very high	80.9	Confident	99 Å²	99	69.3 Å²	69.3	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-42.3	179.1	-70.5	-17.3	0	0	0	111.4	K583 A584 R590 S591	K583-N587 WeakPolarHBondContact O-CB 3.43Å; K583-N587 PolarHBondContact O-N 3.19Å; K583-N587 PolarHBondContact O-ND2 3.48Å; A584-N587 PolarHBondContact O-N 3.1Å; N587-R590 WeakPolarHBondContact O-CB 3.31Å; N587-R590 PolarHBondContact O-N 3.27Å; N587-S591 PolarHBondContact O-N 3.14Å; N587-S591 PolarHBondContact O-OG 2.95Å
588	Q	89.3	Confident	78.6	Confident	96 Å²	96	71.6 Å²	71.6	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-46.1	174.3	-172.4	-176.4	17.1	0	0	111.6	A584 R585 M586 R590 S591 S592	A584-Q588 WeakPolarHBondContact O-CB 3.36Å; A584-Q588 PolarHBondContact O-N 2.74Å; R585-Q588 PolarHBondContact O-N 3.02Å; M586-Q588 VanDerWaalsContact C-N 3.35Å; Q588-R590 VanDerWaalsContact C-N 3.27Å; Q588-R590 PolarHBondContact O-N 3.5Å; Q588-S591 PolarHBondContact O-N 2.92Å; Q588-S591 PolarHBondContact O-OG 3.08Å; Q588-S592 PolarHBondContact O-N 3.44Å; Q588-S592 PolarHBondContact O-OG 2.98Å
589	A	88.4	Confident	76	Confident	15 Å²	15	79.2 Å²	79.2	12%	0.124	45%	0.454	C	S	.	.	H	α-helix	trans	-65.7	-31	178	0	0	0	0	0	113	L172 F180 R585 M586	L172-A589 HydrophobicContact CD2-CB 4.07Å; F180-A589 HydrophobicContact CE1-CB 4.16Å; F180-A589 HydrophobicContact CE2-CB 4.14Å; F180-A589 HydrophobicContact CZ-CB 3.43Å; F180-A589 VanDerWaalsContact CZ-CB 3.43Å; R585-A589 WeakPolarHBondContact O-CB 3.43Å; R585-A589 PolarHBondContact O-N 2.91Å; M586-A589 PolarHBondContact O-N 3.13Å
590	R	86.6	Confident	73.6	Confident	63 Å²	63	81.9 Å²	81.9	24%	0.238	48%	0.477	C	S	.	.	H	α-helix	trans	-69.1	-37.7	173.5	-70.8	174.8	-172.5	-80.4	6.8	112	Y169 R170 L172 M586 N587 Q588	Y169-R590 HydrophobicContact CD1-CB 4.49Å; R170-R590 WeakPolarHBondContact O-CG 3.36Å; R170-R590 PolarHBondContact O-NH1 3.29Å; L172-R590 HydrophobicContact CD1-CG 3.87Å; L172-R590 HydrophobicContact CD2-CG 4.25Å; L172-R590 HydrophobicContact CG-CG 3.84Å; M586-R590 WeakPolarHBondContact O-CG 3.3Å; M586-R590 PolarHBondContact O-N 2.8Å; N587-R590 WeakPolarHBondContact O-CB 3.31Å; N587-R590 PolarHBondContact O-N 3.27Å; Q588-R590 VanDerWaalsContact C-N 3.27Å; Q588-R590 PolarHBondContact O-N 3.5Å
591	S	78.8	Confident	71.3	Confident	62 Å²	62	83.9 Å²	83.9	43%	0.434	50%	0.497	S	S	.	.	H	α-helix	trans	-81.6	-24.1	178.5	64	0	0	0	0	113.7	N587 Q588 S593 E594	N587-S591 PolarHBondContact O-N 3.14Å; N587-S591 PolarHBondContact O-OG 2.95Å; Q588-S591 PolarHBondContact O-N 2.92Å; Q588-S591 PolarHBondContact O-OG 3.08Å; S591-S593 PolarHBondContact O-N 3.19Å; S591-E594 WeakPolarHBondContact O-CB 3.27Å; S591-E594 PolarHBondContact O-N 3.16Å
592	S	68.5	Low	69.1	Low	54 Å²	54	87.9 Å²	87.9	38%	0.378	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-12.8	178	-66.6	0	0	0	0	114.4	Q588 E594 V595	Q588-S592 PolarHBondContact O-N 3.44Å; Q588-S592 PolarHBondContact O-OG 2.98Å; S592-E594 PolarHBondContact O-N 2.75Å; S592-V595 PolarHBondContact O-N 3.47Å
593	S	56	Low	67.2	Low	61 Å²	61	96.6 Å²	96.6	43%	0.427	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	-16.6	171.1	-153.5	0	0	0	0	113.2	S591	S591-S593 PolarHBondContact O-N 3.19Å
594	E	50.4	Low	65.9	Low	140 Å²	140	97.3 Å²	97.3	65%	0.654	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-32.5	174.1	-67.5	-179.2	167.7	0	0	112.7	S591 S592 A596 L597	S591-E594 WeakPolarHBondContact O-CB 3.27Å; S591-E594 PolarHBondContact O-N 3.16Å; S592-E594 PolarHBondContact O-N 2.75Å; E594-A596 VanDerWaalsContact C-N 3.35Å; E594-A596 PolarHBondContact O-N 3Å; E594-L597 PolarHBondContact O-N 2.86Å
595	V	50.8	Low	64.4	Low	120 Å²	120	98.8 Å²	98.8	73%	0.727	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-14.1	-169.9	-170.6	0	0	0	0	113.1	S592 L597	S592-V595 PolarHBondContact O-N 3.47Å; V595-L597 VanDerWaalsContact C-N 3.33Å
596	A	46.6	Very low	63.7	Low	93 Å²	93	104.6 Å²	104.6	77%	0.769	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-17.6	174.6	0	0	0	0	0	113.5	E594	E594-A596 VanDerWaalsContact C-N 3.35Å; E594-A596 PolarHBondContact O-N 3Å
597	L	43.1	Very low	63	Low	122 Å²	122	106.4 Å²	106.4	64%	0.639	61%	0.613	S	S	*	*	S	Bend	trans	-98.8	99.4	159.5	-90.7	102.6	0	0	0	107.6	E594 V595 Q599	E594-L597 PolarHBondContact O-N 2.86Å; V595-L597 VanDerWaalsContact C-N 3.33Å; L597-Q599 PolarHBondContact O-N 2.9Å
598	G	44.7	Very low	62.5	Low	82 Å²	82	105.2 Å²	105.2	85%	0.845	61%	0.609	S	S	*	*			trans	-62.3	79.8	166.6	0	0	0	0	0	110.8
599	Q	40.8	Very low	62.2	Low	160 Å²	160	106.9 Å²	106.9	75%	0.748	62%	0.617	S	S	*	*			trans	-115.7	116.3	164.3	-75.5	-173.7	-22	0	0	107.4	L597	L597-Q599 PolarHBondContact O-N 2.9Å
600	A	44.8	Very low	61.8	Low	82 Å²	82	114 Å²	114	68%	0.678	65%	0.648	S	S	*	*			trans	-38.3	139.4	175.9	0	0	0	0	0	111.2	T602	A600-T602 PolarHBondContact O-N 3.19Å
601	T	49.1	Very low	61.5	Low	149 Å²	149	115.6 Å²	115.6	91%	0.914	66%	0.658	S	S	*	*			trans	-39	103.8	164.2	7.1	0	0	0	0	109.2	F603	T601-F603 PolarHBondContact O-N 3.38Å
602	T	50.6	Low	61.5	Low	132 Å²	132	118.5 Å²	118.5	81%	0.81	66%	0.663	S	S	*	*			trans	-80.6	121.1	176.6	46.2	0	0	0	0	107.6	A600	A600-T602 PolarHBondContact O-N 3.19Å
603	F	55.9	Low	62	Low	186 Å²	186	123.6 Å²	123.6	82%	0.816	67%	0.674	S	S	*	*			trans	-87.3	129.4	169.6	-175.9	-98.5	0	0	0	108.1	T601 S605	T601-F603 PolarHBondContact O-N 3.38Å; F603-S605 PolarHBondContact O-N 3.5Å
604	C	68.3	Low	62.9	Low	119 Å²	119	126 Å²	126	80%	0.804	68%	0.678	S	S	*	*			trans	-79.1	109.3	168	-68.5	0	0	0	0	108.4
605	S	63.4	Low	64.2	Low	90 Å²	90	123.3 Å²	123.3	63%	0.629	67%	0.665	S	S	*	*			trans	-66.7	140.2	162.9	52.4	0	0	0	0	109.2	F603 I607	F603-S605 PolarHBondContact O-N 3.5Å; S605-I607 PolarHBondContact O-N 3.01Å; S605-I607 VanDerWaalsContact O-N 3.16Å
606	R	77	Confident	65.4	Low	246 Å²	246	119.8 Å²	119.8	93%	0.928	65%	0.649	S	S	*	*			trans	-68.2	112.8	174.2	-180	175.1	-177.3	148.5	-0.3	108.4
607	I	78.6	Confident	66.7	Low	64 Å²	64	117.9 Å²	117.9	33%	0.328	63%	0.633	S	S	.	*			trans	-70	149.9	168.4	62.3	173.8	0	0	0	110.1	S605 E611 F612	S605-I607 PolarHBondContact O-N 3.01Å; S605-I607 VanDerWaalsContact O-N 3.16Å; I607-E611 HydrophobicContact CB-CB 4.27Å; I607-F612 HydrophobicContact CD1-CB 3.85Å; I607-F612 HydrophobicContact CD1-CD2 4.22Å; I607-F612 HydrophobicContact CG1-CB 4.38Å
608	T	81.5	Confident	68.2	Low	74 Å²	74	117.3 Å²	117.3	45%	0.454	63%	0.627	S	S	.	*			trans	-69.1	157	175.6	61.9	0	0	0	0	110.7	E610 E611 F612	T608-E610 PolarHBondContact O-N 3.28Å; T608-E611 PolarHBondContact N-OE2 2.89Å; T608-E611 PolarHBondContact O-N 2.94Å; T608-E611 WeakPolarHBondContact OG1-CB 3.06Å; T608-E611 WeakPolarHBondContact OG1-CG 3.47Å; T608-E611 PolarHBondContact OG1-N 3.11Å; T608-E611 PolarHBondContact OG1-OE2 3.42Å; T608-F612 PolarHBondContact O-N 2.64Å
609	E	82.2	Confident	69.4	Low	131 Å²	131	118.8 Å²	118.8	61%	0.612	61%	0.611	S	S	*	*	H	α-helix	trans	-63.4	-29.6	178.9	-170.2	170.5	166	0	0	112	R613	E609-R613 WeakPolarHBondContact O-CG 3.3Å; E609-R613 PolarHBondContact O-N 3.15Å; E609-R613 IonicContact OE1-CZ 3.57Å; E609-R613 IonicContact OE1-NE 3.59Å; E609-R613 IonicContact OE1-NH2 2.75Å; E609-R613 PolarHBondContact OE1-NH2 3.12Å
610	E	80.9	Confident	71.1	Confident	165 Å²	165	113.6 Å²	113.6	77%	0.771	59%	0.593	S	S	*	*	H	α-helix	trans	-68.5	-48.3	174.7	-64.7	176.3	-175.6	0	0	111.6	T608 F612 R613 H614	T608-E610 PolarHBondContact O-N 3.28Å; E610-F612 VanDerWaalsContact C-N 3.3Å; E610-F612 PolarHBondContact O-N 3.37Å; E610-R613 PolarHBondContact O-N 3.14Å; E610-H614 PolarHBondContact O-N 3.14Å
611	E	79.6	Confident	72.8	Confident	95 Å²	95	113.6 Å²	113.6	44%	0.444	58%	0.581	S	S	.	*	H	α-helix	trans	-59.5	-40.7	173.6	-75	164.8	156.4	0	0	111.7	I607 T608 R613 H614 Q615	I607-E611 HydrophobicContact CB-CB 4.27Å; T608-E611 PolarHBondContact N-OE2 2.89Å; T608-E611 PolarHBondContact O-N 2.94Å; T608-E611 WeakPolarHBondContact OG1-CB 3.06Å; T608-E611 WeakPolarHBondContact OG1-CG 3.47Å; T608-E611 PolarHBondContact OG1-N 3.11Å; T608-E611 PolarHBondContact OG1-OE2 3.42Å; E611-R613 PolarHBondContact O-N 3.1Å; E611-H614 PolarHBondContact O-N 3.11Å; E611-Q615 WeakPolarHBondContact O-CB 3.32Å; E611-Q615 VanDerWaalsContact O-CG 3.31Å; E611-Q615 WeakPolarHBondContact O-CG 3.33Å; E611-Q615 PolarHBondContact O-N 2.99Å
612	F	79.3	Confident	74.2	Confident	124 Å²	124	110.2 Å²	110.2	54%	0.544	56%	0.564	S	S	.	*	H	α-helix	trans	-60.6	-45.3	175.4	172.9	-101.5	0	0	0	111.8	I607 T608 E610 A616	I607-F612 HydrophobicContact CD1-CB 3.85Å; I607-F612 HydrophobicContact CD1-CD2 4.22Å; I607-F612 HydrophobicContact CG1-CB 4.38Å; T608-F612 PolarHBondContact O-N 2.64Å; E610-F612 VanDerWaalsContact C-N 3.3Å; E610-F612 PolarHBondContact O-N 3.37Å; F612-A616 WeakPolarHBondContact O-CB 3.12Å; F612-A616 PolarHBondContact O-N 3.3Å
613	R	78.8	Confident	75.7	Confident	161 Å²	161	105.1 Å²	105.1	61%	0.608	54%	0.535	S	S	*	.	H	α-helix	trans	-65.8	-38.9	177.9	-73	179.4	-172.6	-179.4	5.9	111.8	E609 E610 E611 A617	E609-R613 WeakPolarHBondContact O-CG 3.3Å; E609-R613 PolarHBondContact O-N 3.15Å; E609-R613 IonicContact OE1-CZ 3.57Å; E609-R613 IonicContact OE1-NE 3.59Å; E609-R613 IonicContact OE1-NH2 2.75Å; E609-R613 PolarHBondContact OE1-NH2 3.12Å; E610-R613 PolarHBondContact O-N 3.14Å; E611-R613 PolarHBondContact O-N 3.1Å; R613-A617 PolarHBondContact O-N 2.92Å
614	H	75.7	Confident	77.1	Confident	110 Å²	110	97.2 Å²	97.2	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-50.9	175.9	-166.8	-87.5	0	0	0	111.6	E610 E611 A616 A617 E618	E610-H614 PolarHBondContact O-N 3.14Å; E611-H614 PolarHBondContact O-N 3.11Å; H614-A616 VanDerWaalsContact C-N 3.32Å; H614-A616 PolarHBondContact O-N 2.72Å; H614-A617 PolarHBondContact O-N 2.82Å; H614-A617 VanDerWaalsContact O-N 3.16Å; H614-E618 IonicContact CE1-OE1 3.07Å; H614-E618 PolarHBondContact CE1-OE1 3.29Å; H614-E618 IonicContact CE1-OE2 3.85Å; H614-E618 PolarHBondContact CE1-OE2 2.99Å; H614-E618 IonicContact ND1-OE1 3.03Å; H614-E618 IonicContact ND1-OE2 3.63Å; H614-E618 PolarHBondContact ND1-OE2 3.45Å; H614-E618 VanDerWaalsContact ND1-OE2 3.1Å; H614-E618 IonicContact NE2-OE1 3.73Å; H614-E618 PolarHBondContact O-N 3.42Å
615	Q	77.2	Confident	77.9	Confident	85 Å²	85	94.2 Å²	94.2	40%	0.397	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-41.1	176.3	-73.6	178.1	7.6	0	0	111.7	E611 A617 E618 H619	E611-Q615 WeakPolarHBondContact O-CB 3.32Å; E611-Q615 VanDerWaalsContact O-CG 3.31Å; E611-Q615 WeakPolarHBondContact O-CG 3.33Å; E611-Q615 PolarHBondContact O-N 2.99Å; Q615-A617 VanDerWaalsContact C-N 3.3Å; Q615-A617 PolarHBondContact O-N 3.37Å; Q615-E618 PolarHBondContact O-N 3.42Å; Q615-H619 VanDerWaalsContact O-CB 3.29Å; Q615-H619 WeakPolarHBondContact O-CB 3.33Å; Q615-H619 PolarHBondContact O-N 3.39Å
616	A	75.8	Confident	79	Confident	46 Å²	46	92.6 Å²	92.6	38%	0.38	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.5	0	0	0	0	0	111.3	F612 H614 S620	F612-A616 WeakPolarHBondContact O-CB 3.12Å; F612-A616 PolarHBondContact O-N 3.3Å; H614-A616 VanDerWaalsContact C-N 3.32Å; H614-A616 PolarHBondContact O-N 2.72Å; A616-S620 WeakPolarHBondContact O-CB 3.22Å; A616-S620 PolarHBondContact O-N 2.92Å; A616-S620 PolarHBondContact O-OG 2.85Å
617	A	73.8	Confident	79.6	Confident	52 Å²	52	84.6 Å²	84.6	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-68.7	-48.8	176.3	0	0	0	0	0	112	R613 H614 Q615 L621	R613-A617 PolarHBondContact O-N 2.92Å; H614-A617 PolarHBondContact O-N 2.82Å; H614-A617 VanDerWaalsContact O-N 3.16Å; Q615-A617 VanDerWaalsContact C-N 3.3Å; Q615-A617 PolarHBondContact O-N 3.37Å; A617-L621 VanDerWaalsContact O-CB 3.3Å; A617-L621 WeakPolarHBondContact O-CB 3.36Å; A617-L621 WeakPolarHBondContact O-CD1 3.45Å; A617-L621 WeakPolarHBondContact O-CG 3.4Å; A617-L621 PolarHBondContact O-N 3.26Å
618	E	73.5	Confident	80	Confident	111 Å²	111	81.6 Å²	81.6	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-73.3	-50.6	-175.2	-73.6	-172.3	144.9	0	0	113.7	H614 Q615 L621 S622	H614-E618 IonicContact CE1-OE1 3.07Å; H614-E618 PolarHBondContact CE1-OE1 3.29Å; H614-E618 IonicContact CE1-OE2 3.85Å; H614-E618 PolarHBondContact CE1-OE2 2.99Å; H614-E618 IonicContact ND1-OE1 3.03Å; H614-E618 IonicContact ND1-OE2 3.63Å; H614-E618 PolarHBondContact ND1-OE2 3.45Å; H614-E618 VanDerWaalsContact ND1-OE2 3.1Å; H614-E618 IonicContact NE2-OE1 3.73Å; H614-E618 PolarHBondContact O-N 3.42Å; Q615-E618 PolarHBondContact O-N 3.42Å; E618-L621 PolarHBondContact O-N 2.84Å; E618-S622 WeakPolarHBondContact O-CB 3.38Å; E618-S622 PolarHBondContact O-N 3.21Å
619	H	71.4	Confident	80.2	Confident	112 Å²	112	80.1 Å²	80.1	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-39.4	-176.6	-86.8	-76.9	0	0	0	111.8	Q615 A623	Q615-H619 VanDerWaalsContact O-CB 3.29Å; Q615-H619 WeakPolarHBondContact O-CB 3.33Å; Q615-H619 PolarHBondContact O-N 3.39Å; H619-A623 WeakPolarHBondContact O-CB 3.39Å; H619-A623 PolarHBondContact O-N 3.02Å
620	S	76.1	Confident	80.4	Confident	52 Å²	52	80 Å²	80	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-66.7	-43.5	178.5	69.8	0	0	0	0	111.2	A616 V624	A616-S620 WeakPolarHBondContact O-CB 3.22Å; A616-S620 PolarHBondContact O-N 2.92Å; A616-S620 PolarHBondContact O-OG 2.85Å; S620-V624 VanDerWaalsContact O-CB 3.32Å; S620-V624 WeakPolarHBondContact O-CB 3.35Å; S620-V624 WeakPolarHBondContact O-CG2 3.43Å; S620-V624 PolarHBondContact O-N 3.15Å
621	L	79.7	Confident	80.7	Confident	82 Å²	82	72.8 Å²	72.8	43%	0.429	38%	0.384	S	S	.	.	H	α-helix	trans	-68.7	-44.2	179.1	-69.5	176.7	0	0	0	112	A617 E618 A623 V624 L625 L656	A617-L621 VanDerWaalsContact O-CB 3.3Å; A617-L621 WeakPolarHBondContact O-CB 3.36Å; A617-L621 WeakPolarHBondContact O-CD1 3.45Å; A617-L621 WeakPolarHBondContact O-CG 3.4Å; A617-L621 PolarHBondContact O-N 3.26Å; E618-L621 PolarHBondContact O-N 2.84Å; L621-A623 PolarHBondContact O-N 2.96Å; L621-V624 PolarHBondContact O-N 3.31Å; L621-L625 WeakPolarHBondContact O-CB 3.36Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.27Å; L621-L625 PolarHBondContact O-N 3.32Å; L621-L656 HydrophobicContact CD2-CD1 4.01Å; L621-L656 HydrophobicContact CD2-CD2 4.11Å
622	S	79.5	Confident	81	Confident	78 Å²	78	70.5 Å²	70.5	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-45.5	177.4	-177.5	0	0	0	0	111.6	E618 V624 L625 A626	E618-S622 WeakPolarHBondContact O-CB 3.38Å; E618-S622 PolarHBondContact O-N 3.21Å; S622-V624 PolarHBondContact O-N 2.92Å; S622-L625 PolarHBondContact O-N 3.04Å; S622-A626 WeakPolarHBondContact O-CB 3.34Å; S622-A626 PolarHBondContact O-N 3.4Å
623	A	82.2	Confident	81.2	Confident	24 Å²	24	70 Å²	70	20%	0.198	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-43.2	176.6	0	0	0	0	0	112.4	H619 L621 A626 L627	H619-A623 WeakPolarHBondContact O-CB 3.39Å; H619-A623 PolarHBondContact O-N 3.02Å; L621-A623 PolarHBondContact O-N 2.96Å; A623-A626 PolarHBondContact O-N 2.6Å; A623-L627 WeakPolarHBondContact O-CB 3.42Å; A623-L627 PolarHBondContact O-N 3.35Å
624	V	85.3	Confident	81.3	Confident	20 Å²	20	63.2 Å²	63.2	12%	0.121	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-37.9	179	171.7	0	0	0	0	111.1	S620 L621 S622 L627 L628 F649 Y653 L656	S620-V624 VanDerWaalsContact O-CB 3.32Å; S620-V624 WeakPolarHBondContact O-CB 3.35Å; S620-V624 WeakPolarHBondContact O-CG2 3.43Å; S620-V624 PolarHBondContact O-N 3.15Å; L621-V624 PolarHBondContact O-N 3.31Å; S622-V624 PolarHBondContact O-N 2.92Å; V624-L627 WeakPolarHBondContact O-CB 3.29Å; V624-L627 PolarHBondContact O-N 3.26Å; V624-L628 PolarHBondContact O-N 3.12Å; V624-F649 HydrophobicContact CG1-CE2 3.76Å; V624-F649 HydrophobicContact CG1-CZ 3.57Å; V624-F649 WeakPolarHBondContact O-CE2 3.4Å; V624-Y653 HydrophobicContact CG1-CD1 4.28Å; V624-Y653 HydrophobicContact CG1-CD2 3.88Å; V624-Y653 HydrophobicContact CG1-CE1 4.39Å; V624-Y653 HydrophobicContact CG1-CE2 3.99Å; V624-Y653 HydrophobicContact CG1-CG 4.03Å; V624-Y653 HydrophobicContact CG2-CE1 4.45Å; V624-Y653 HydrophobicContact CG2-CE2 4.49Å; V624-L656 HydrophobicContact CB-CD1 4.31Å; V624-L656 HydrophobicContact CG1-CD1 3.51Å
625	L	84.7	Confident	81.6	Confident	57 Å²	57	67.1 Å²	67.1	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-41.4	173.8	-71.7	174.1	0	0	0	112.1	L621 S622 L627 L628 D629 L656	L621-L625 WeakPolarHBondContact O-CB 3.36Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.27Å; L621-L625 PolarHBondContact O-N 3.32Å; S622-L625 PolarHBondContact O-N 3.04Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 2.98Å; L625-L628 WeakPolarHBondContact O-CB 3.38Å; L625-L628 PolarHBondContact O-N 2.97Å; L625-L628 VanDerWaalsContact O-N 3.14Å; L625-D629 PolarHBondContact O-N 2.91Å; L625-L656 HydrophobicContact CD2-CD2 4.43Å
626	A	87	Confident	81.9	Confident	55 Å²	55	72.9 Å²	72.9	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-60.9	-37.4	174.1	0	0	0	0	0	111.8	S622 A623 D629 E630	S622-A626 WeakPolarHBondContact O-CB 3.34Å; S622-A626 PolarHBondContact O-N 3.4Å; A623-A626 PolarHBondContact O-N 2.6Å; A626-D629 PolarHBondContact O-N 3.14Å; A626-E630 PolarHBondContact O-N 3.18Å
627	L	87.9	Confident	82	Confident	79 Å²	79	71.6 Å²	71.6	41%	0.414	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-40.6	174.8	-139.6	163.8	0	0	0	111.3	A623 V624 L625 E630 I631	A623-L627 WeakPolarHBondContact O-CB 3.42Å; A623-L627 PolarHBondContact O-N 3.35Å; V624-L627 WeakPolarHBondContact O-CB 3.29Å; V624-L627 PolarHBondContact O-N 3.26Å; L625-L627 VanDerWaalsContact C-N 3.26Å; L625-L627 PolarHBondContact O-N 2.98Å; L627-E630 PolarHBondContact O-N 3.48Å; L627-I631 HydrophobicContact CD2-CD1 3.84Å; L627-I631 HydrophobicContact CD2-CG1 4.27Å; L627-I631 VanDerWaalsContact O-CG1 3.28Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.38Å
628	L	87.1	Confident	82.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-45.8	172.6	-175.4	59.3	0	0	0	111.1	V624 L625 E630 I631 V632 L646 F649 R660 F661	V624-L628 PolarHBondContact O-N 3.12Å; L625-L628 WeakPolarHBondContact O-CB 3.38Å; L625-L628 PolarHBondContact O-N 2.97Å; L625-L628 VanDerWaalsContact O-N 3.14Å; L628-E630 VanDerWaalsContact C-N 3.33Å; L628-E630 PolarHBondContact O-N 2.64Å; L628-I631 PolarHBondContact O-N 2.88Å; L628-V632 HydrophobicContact CD1-CG2 4.41Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.35Å; L628-V632 PolarHBondContact O-N 3.48Å; L628-L646 HydrophobicContact CD1-CD1 4.38Å; L628-F649 HydrophobicContact CB-CD2 4.47Å; L628-F649 HydrophobicContact CB-CE1 4.14Å; L628-F649 HydrophobicContact CB-CE2 3.88Å; L628-F649 HydrophobicContact CB-CZ 3.69Å; L628-F649 HydrophobicContact CD1-CD1 3.69Å; L628-F649 HydrophobicContact CD1-CD2 4.31Å; L628-F649 HydrophobicContact CD1-CE1 3.83Å; L628-F649 HydrophobicContact CD1-CE2 4.42Å; L628-F649 HydrophobicContact CD1-CG 3.94Å; L628-F649 HydrophobicContact CD1-CZ 4.19Å; L628-F649 HydrophobicContact CD2-CE1 3.88Å; L628-F649 HydrophobicContact CD2-CZ 4.18Å; L628-F649 HydrophobicContact CG-CE1 4.16Å; L628-F649 HydrophobicContact CG-CZ 4.24Å; L628-R660 HydrophobicContact CD2-CB 3.76Å; L628-R660 HydrophobicContact CD2-CG 3.91Å; L628-F661 HydrophobicContact CD1-CE2 4.25Å; L628-F661 HydrophobicContact CD2-CE2 4.44Å
629	D	85.8	Confident	82.6	Confident	44 Å²	44	70.9 Å²	70.9	24%	0.235	39%	0.39	C	S	.	.	H	α-helix	trans	-61.5	-38.8	177	-83	-43.1	0	0	0	112.4	L625 A626 V632 N633 R660	L625-D629 PolarHBondContact O-N 2.91Å; A626-D629 PolarHBondContact O-N 3.14Å; D629-V632 PolarHBondContact O-N 3.09Å; D629-N633 VanDerWaalsContact O-CB 3.26Å; D629-N633 WeakPolarHBondContact O-CB 3.41Å; D629-N633 PolarHBondContact O-N 3.35Å; D629-N633 PolarHBondContact O-ND2 3.26Å; D629-R660 VanDerWaalsContact CG-NH1 3.33Å; D629-R660 IonicContact OD1-CZ 3.1Å; D629-R660 IonicContact OD1-NH1 2.63Å; D629-R660 PolarHBondContact OD1-NH1 3.18Å; D629-R660 IonicContact OD1-NH2 3.69Å; D629-R660 PolarHBondContact OD1-NH2 3.4Å; D629-R660 IonicContact OD2-CZ 2.87Å; D629-R660 IonicContact OD2-NH1 3.01Å; D629-R660 PolarHBondContact OD2-NH1 2.77Å; D629-R660 IonicContact OD2-NH2 3.91Å
630	E	88	Confident	83.2	Confident	129 Å²	129	69.7 Å²	69.7	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-64.9	-42.2	174.1	-169.1	-173.7	170.5	0	0	111.5	A626 L627 L628 V632 S634	A626-E630 PolarHBondContact O-N 3.18Å; L627-E630 PolarHBondContact O-N 3.48Å; L628-E630 VanDerWaalsContact C-N 3.33Å; L628-E630 PolarHBondContact O-N 2.64Å; E630-V632 VanDerWaalsContact C-N 3.31Å; E630-V632 PolarHBondContact O-N 3.47Å; E630-S634 WeakPolarHBondContact O-CA 3.27Å; E630-S634 WeakPolarHBondContact O-CB 3.48Å; E630-S634 PolarHBondContact O-N 3.34Å; E630-S634 PolarHBondContact O-OG 2.89Å
631	I	87.3	Confident	83.5	Confident	12 Å²	12	70.1 Å²	70.1	6%	0.062	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-41.9	176.7	-64.7	163.3	0	0	0	110.3	L627 L628 L637 R642 R645 L646 F649	L627-I631 HydrophobicContact CD2-CD1 3.84Å; L627-I631 HydrophobicContact CD2-CG1 4.27Å; L627-I631 VanDerWaalsContact O-CG1 3.28Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.38Å; L628-I631 PolarHBondContact O-N 2.88Å; I631-L637 HydrophobicContact CG2-CD1 4.42Å; I631-R642 HydrophobicContact CG2-CG 4.3Å; I631-R642 WeakPolarHBondContact O-CD 3.31Å; I631-R642 WeakPolarHBondContact O-CG 3.33Å; I631-R642 PolarHBondContact O-NE 3.37Å; I631-R645 HydrophobicContact CD1-CB 4.18Å; I631-R645 HydrophobicContact CG1-CB 4.24Å; I631-R645 HydrophobicContact CG2-CB 3.77Å; I631-L646 HydrophobicContact CB-CD1 4.44Å; I631-L646 HydrophobicContact CG2-CD1 3.59Å; I631-F649 HydrophobicContact CD1-CB 4.4Å; I631-F649 HydrophobicContact CD1-CD2 4.22Å
632	V	84.6	Confident	83.9	Confident	47 Å²	47	69.7 Å²	69.7	29%	0.285	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-47.1	-178.4	174.8	0	0	0	0	111.6	L628 D629 E630 L646 F661	L628-V632 HydrophobicContact CD1-CG2 4.41Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.35Å; L628-V632 PolarHBondContact O-N 3.48Å; D629-V632 PolarHBondContact O-N 3.09Å; E630-V632 VanDerWaalsContact C-N 3.31Å; E630-V632 PolarHBondContact O-N 3.47Å; V632-L646 HydrophobicContact CG2-CD1 3.9Å; V632-F661 HydrophobicContact CG2-CE2 4.22Å; V632-F661 HydrophobicContact CG2-CZ 3.69Å
633	N	83.1	Confident	84.1	Confident	113 Å²	113	70.4 Å²	70.4	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-96.3	-9.4	-170.2	-61.2	-39.8	0	0	0	114.5	D629 E635	D629-N633 VanDerWaalsContact O-CB 3.26Å; D629-N633 WeakPolarHBondContact O-CB 3.41Å; D629-N633 PolarHBondContact O-N 3.35Å; D629-N633 PolarHBondContact O-ND2 3.26Å; N633-E635 PolarHBondContact O-N 3.33Å
634	S	82	Confident	84.3	Confident	20 Å²	20	76 Å²	76	14%	0.14	40%	0.396	C	S	.	.			trans	-67.1	123.1	-177.7	54.3	0	0	0	0	112.6	E630 K636 L637 R642	E630-S634 WeakPolarHBondContact O-CA 3.27Å; E630-S634 WeakPolarHBondContact O-CB 3.48Å; E630-S634 PolarHBondContact O-N 3.34Å; E630-S634 PolarHBondContact O-OG 2.89Å; S634-K636 VanDerWaalsContact C-N 3.26Å; S634-K636 PolarHBondContact O-N 3.19Å; S634-L637 WeakPolarHBondContact OG-CD1 3.21Å; S634-L637 WeakPolarHBondContact OG-CG 3.46Å; S634-R642 PolarHBondContact O-NH2 3.49Å
635	E	81.8	Confident	84.4	Confident	191 Å²	191	80.2 Å²	80.2	89%	0.893	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.2	171.5	-65.6	-178.3	169.7	0	0	112.6	N633 L637	N633-E635 PolarHBondContact O-N 3.33Å; E635-L637 VanDerWaalsContact C-N 3.27Å; E635-L637 PolarHBondContact O-N 3Å
636	K	82.4	Confident	84.6	Confident	206 Å²	206	78.2 Å²	78.2	90%	0.896	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.9	-178.8	-63.4	-177.6	-177.7	175.3	0	113.6	S634	S634-K636 VanDerWaalsContact C-N 3.26Å; S634-K636 PolarHBondContact O-N 3.19Å
637	L	78.2	Confident	84.6	Confident	20 Å²	20	79.3 Å²	79.3	11%	0.105	40%	0.397	C	S	.	.	S	Bend	trans	-91.5	124.5	-178.9	-63.4	-178.1	0	0	0	110.9	I631 S634 E635 E641 R642	I631-L637 HydrophobicContact CG2-CD1 4.42Å; S634-L637 WeakPolarHBondContact OG-CD1 3.21Å; S634-L637 WeakPolarHBondContact OG-CG 3.46Å; E635-L637 VanDerWaalsContact C-N 3.27Å; E635-L637 PolarHBondContact O-N 3Å; L637-E641 HydrophobicContact CD2-CG 3.94Å; L637-R642 HydrophobicContact CB-CB 4.2Å; L637-R642 PolarHBondContact O-NH2 3.35Å
638	S	82	Confident	84.5	Confident	70 Å²	70	79 Å²	79	49%	0.49	40%	0.401	S	S	.	.			trans	-62.8	147.7	166.3	68.2	0	0	0	0	109.9	P640 E641 R642	S638-P640 VanDerWaalsContact C-CD 3.41Å; S638-P640 VanDerWaalsContact C-N 3.32Å; S638-E641 PolarHBondContact O-N 3.29Å; S638-R642 PolarHBondContact O-N 3.09Å
639	S	78.6	Confident	84.7	Confident	78 Å²	78	79.5 Å²	79.5	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-44.1	-46.3	178	-174.9	0	0	0	0	114.8	R642 Q643	S639-R642 PolarHBondContact O-N 2.91Å; S639-Q643 PolarHBondContact O-N 3.13Å; S639-Q643 VanDerWaalsContact O-N 3.08Å
640	P	83.9	Confident	84.6	Confident	86 Å²	86	82.2 Å²	82.2	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-69.6	-36.8	178.6	26.4	-35	0	0	0	113.6	S638 Q643 K644	S638-P640 VanDerWaalsContact C-CD 3.41Å; S638-P640 VanDerWaalsContact C-N 3.32Å; P640-Q643 PolarHBondContact O-N 3.3Å; P640-K644 WeakPolarHBondContact O-CB 3.31Å; P640-K644 PolarHBondContact O-N 3.28Å
641	E	83	Confident	84.5	Confident	61 Å²	61	84.8 Å²	84.8	29%	0.285	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-39	177.4	-178	61.8	-164.7	0	0	110.6	L637 S638 K644 R645	L637-E641 HydrophobicContact CD2-CG 3.94Å; S638-E641 PolarHBondContact O-N 3.29Å; E641-K644 PolarHBondContact O-N 2.87Å; E641-R645 WeakPolarHBondContact O-CG 3.35Å; E641-R645 PolarHBondContact O-N 2.69Å; E641-R645 IonicContact OE1-CZ 3.73Å; E641-R645 IonicContact OE1-NE 2.65Å; E641-R645 PolarHBondContact OE1-NE 3.12Å; E641-R645 IonicContact OE1-NH2 3.63Å
642	R	86.8	Confident	84.5	Confident	74 Å²	74	88.2 Å²	88.2	28%	0.279	44%	0.441	S	S	.	.	H	α-helix	trans	-57.3	-50.3	172.6	-172.3	179	-60.6	116.1	2.8	111	I631 S634 L637 S638 S639 K644 R645 L646	I631-R642 HydrophobicContact CG2-CG 4.3Å; I631-R642 WeakPolarHBondContact O-CD 3.31Å; I631-R642 WeakPolarHBondContact O-CG 3.33Å; I631-R642 PolarHBondContact O-NE 3.37Å; S634-R642 PolarHBondContact O-NH2 3.49Å; L637-R642 HydrophobicContact CB-CB 4.2Å; L637-R642 PolarHBondContact O-NH2 3.35Å; S638-R642 PolarHBondContact O-N 3.09Å; S639-R642 PolarHBondContact O-N 2.91Å; R642-K644 VanDerWaalsContact C-N 3.33Å; R642-K644 PolarHBondContact O-N 3.37Å; R642-R645 PolarHBondContact O-N 2.82Å; R642-L646 WeakPolarHBondContact O-CB 3.38Å; R642-L646 PolarHBondContact O-N 3.07Å
643	Q	84.1	Confident	84.6	Confident	92 Å²	92	89.8 Å²	89.8	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-41.6	176.8	-79.5	-173.6	-33.6	0	0	112.7	S639 P640 L646 L647 L666	S639-Q643 PolarHBondContact O-N 3.13Å; S639-Q643 VanDerWaalsContact O-N 3.08Å; P640-Q643 PolarHBondContact O-N 3.3Å; Q643-L646 PolarHBondContact O-N 3.14Å; Q643-L647 WeakPolarHBondContact O-CB 3.22Å; Q643-L647 VanDerWaalsContact O-CD1 3.28Å; Q643-L647 WeakPolarHBondContact O-CD1 3.26Å; Q643-L647 PolarHBondContact O-N 2.58Å; Q643-L666 HydrophobicContact CB-CD2 4.48Å; Q643-L666 HydrophobicContact CG-CD2 4.12Å
644	K	85.7	Confident	84.6	Confident	141 Å²	141	87.7 Å²	87.7	61%	0.613	44%	0.435	S	S	*	.	H	α-helix	trans	-62.2	-43.9	177.8	-175.4	-175.7	174.8	-168.7	0	111.7	P640 E641 R642 L647 S648	P640-K644 WeakPolarHBondContact O-CB 3.31Å; P640-K644 PolarHBondContact O-N 3.28Å; E641-K644 PolarHBondContact O-N 2.87Å; R642-K644 VanDerWaalsContact C-N 3.33Å; R642-K644 PolarHBondContact O-N 3.37Å; K644-L647 PolarHBondContact O-N 2.53Å; K644-S648 PolarHBondContact O-N 3.32Å
645	R	89.2	Confident	84.5	Confident	110 Å²	110	93.5 Å²	93.5	42%	0.415	46%	0.46	S	S	.	.	H	α-helix	trans	-67.8	-40.5	176.6	-69.5	-171.7	-172.3	-163.2	2.1	112	I631 E641 R642 L647 S648 F649	I631-R645 HydrophobicContact CD1-CB 4.18Å; I631-R645 HydrophobicContact CG1-CB 4.24Å; I631-R645 HydrophobicContact CG2-CB 3.77Å; E641-R645 WeakPolarHBondContact O-CG 3.35Å; E641-R645 PolarHBondContact O-N 2.69Å; E641-R645 IonicContact OE1-CZ 3.73Å; E641-R645 IonicContact OE1-NE 2.65Å; E641-R645 PolarHBondContact OE1-NE 3.12Å; E641-R645 IonicContact OE1-NH2 3.63Å; R642-R645 PolarHBondContact O-N 2.82Å; R645-L647 PolarHBondContact O-N 3.29Å; R645-S648 WeakPolarHBondContact O-CB 3.46Å; R645-S648 PolarHBondContact O-N 2.96Å; R645-F649 WeakPolarHBondContact O-CB 3.17Å; R645-F649 PolarHBondContact O-N 3.26Å
646	L	88.4	Confident	84.7	Confident	14 Å²	14	86.2 Å²	86.2	7%	0.073	43%	0.427	C	S	.	.	H	α-helix	trans	-62.4	-42.1	175	-134.8	86.8	0	0	0	111.8	L628 I631 V632 R642 Q643 S648 F649 R650 Y657 F661 L666	L628-L646 HydrophobicContact CD1-CD1 4.38Å; I631-L646 HydrophobicContact CB-CD1 4.44Å; I631-L646 HydrophobicContact CG2-CD1 3.59Å; V632-L646 HydrophobicContact CG2-CD1 3.9Å; R642-L646 WeakPolarHBondContact O-CB 3.38Å; R642-L646 PolarHBondContact O-N 3.07Å; Q643-L646 PolarHBondContact O-N 3.14Å; L646-S648 VanDerWaalsContact C-N 3.35Å; L646-F649 PolarHBondContact O-N 2.97Å; L646-R650 WeakPolarHBondContact O-CB 3.44Å; L646-R650 PolarHBondContact O-N 3.07Å; L646-Y657 HydrophobicContact CD2-CE2 3.73Å; L646-Y657 HydrophobicContact CG-CE2 3.85Å; L646-F661 HydrophobicContact CD2-CE2 4.39Å; L646-L666 HydrophobicContact CB-CD1 4.38Å; L646-L666 HydrophobicContact CD2-CD1 4.09Å; L646-L666 HydrophobicContact CD2-CD2 4.26Å; L646-L666 HydrophobicContact CD2-CG 4.09Å
647	L	87.4	Confident	84.8	Confident	78 Å²	78	76.7 Å²	76.7	41%	0.408	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-42.8	172.9	-104.1	85.6	0	0	0	111.8	Q643 K644 R645 K651 L666	Q643-L647 WeakPolarHBondContact O-CB 3.22Å; Q643-L647 VanDerWaalsContact O-CD1 3.28Å; Q643-L647 WeakPolarHBondContact O-CD1 3.26Å; Q643-L647 PolarHBondContact O-N 2.58Å; K644-L647 PolarHBondContact O-N 2.53Å; R645-L647 PolarHBondContact O-N 3.29Å; L647-K651 WeakPolarHBondContact O-CB 3.43Å; L647-K651 PolarHBondContact O-N 3.24Å; L647-L666 HydrophobicContact CD1-CD1 3.58Å; L647-L666 HydrophobicContact CD1-CD2 3.82Å; L647-L666 HydrophobicContact CD1-CG 4.25Å; L647-L666 HydrophobicContact CG-CD1 4.31Å
648	S	85.6	Confident	85.1	Confident	72 Å²	72	82.4 Å²	82.4	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-63.3	-44.8	177	-166.3	0	0	0	0	110.9	K644 R645 L646 K651 T652	K644-S648 PolarHBondContact O-N 3.32Å; R645-S648 WeakPolarHBondContact O-CB 3.46Å; R645-S648 PolarHBondContact O-N 2.96Å; L646-S648 VanDerWaalsContact C-N 3.35Å; S648-K651 WeakPolarHBondContact O-CB 2.92Å; S648-K651 PolarHBondContact O-N 3.43Å; S648-T652 PolarHBondContact O-N 2.89Å; S648-T652 PolarHBondContact O-OG1 3.15Å; S648-T652 VanDerWaalsContact O-OG1 3.06Å
649	F	89.7	Confident	85.2	Confident	12 Å²	12	83 Å²	83	5%	0.053	41%	0.413	C	S	.	.	H	α-helix	trans	-61.9	-48.2	177.3	-170.1	-79.7	0	0	0	111.3	V624 L628 I631 R645 L646 K651 T652 Y653 L656 Y657	V624-F649 HydrophobicContact CG1-CE2 3.76Å; V624-F649 HydrophobicContact CG1-CZ 3.57Å; V624-F649 WeakPolarHBondContact O-CE2 3.4Å; L628-F649 HydrophobicContact CB-CD2 4.47Å; L628-F649 HydrophobicContact CB-CE1 4.14Å; L628-F649 HydrophobicContact CB-CE2 3.88Å; L628-F649 HydrophobicContact CB-CZ 3.69Å; L628-F649 HydrophobicContact CD1-CD1 3.69Å; L628-F649 HydrophobicContact CD1-CD2 4.31Å; L628-F649 HydrophobicContact CD1-CE1 3.83Å; L628-F649 HydrophobicContact CD1-CE2 4.42Å; L628-F649 HydrophobicContact CD1-CG 3.94Å; L628-F649 HydrophobicContact CD1-CZ 4.19Å; L628-F649 HydrophobicContact CD2-CE1 3.88Å; L628-F649 HydrophobicContact CD2-CZ 4.18Å; L628-F649 HydrophobicContact CG-CE1 4.16Å; L628-F649 HydrophobicContact CG-CZ 4.24Å; I631-F649 HydrophobicContact CD1-CB 4.4Å; I631-F649 HydrophobicContact CD1-CD2 4.22Å; R645-F649 WeakPolarHBondContact O-CB 3.17Å; R645-F649 PolarHBondContact O-N 3.26Å; L646-F649 PolarHBondContact O-N 2.97Å; F649-K651 PolarHBondContact O-N 3.26Å; F649-T652 PolarHBondContact O-N 2.86Å; F649-T652 VanDerWaalsContact O-N 3.12Å; F649-Y653 HydrophobicContact CD2-CD2 4.08Å; F649-Y653 HydrophobicContact CE1-CD2 4.32Å; F649-Y653 AromaticContact CE2-CD2 3.85Å; F649-Y653 HydrophobicContact CE2-CD2 3.85Å; F649-Y653 HydrophobicContact CE2-CE2 4.43Å; F649-Y653 HydrophobicContact CG-CD2 4.41Å; F649-Y653 AromaticContact CZ-CD2 3.98Å; F649-Y653 HydrophobicContact CZ-CD2 3.98Å; F649-Y653 HydrophobicContact CZ-CG 4.4Å; F649-Y653 PolarHBondContact O-N 3.44Å; F649-L656 HydrophobicContact CE1-CB 4.35Å; F649-Y657 HydrophobicContact CD1-CD2 4.3Å
650	R	85.4	Confident	85.4	Confident	100 Å²	100	84.9 Å²	84.9	38%	0.377	41%	0.409	S	S	.	.	H	α-helix	trans	-55.4	-38.5	174.6	177.6	-174.9	177	167.6	14.9	112.5	L646 P654 Y657 D664	L646-R650 WeakPolarHBondContact O-CB 3.44Å; L646-R650 PolarHBondContact O-N 3.07Å; R650-P654 WeakPolarHBondContact O-CA 3.18Å; R650-Y657 HydrophobicContact CB-CD1 3.94Å; R650-Y657 HydrophobicContact CB-CD2 3.91Å; R650-Y657 HydrophobicContact CB-CE1 4.25Å; R650-Y657 HydrophobicContact CB-CE2 4.23Å; R650-Y657 HydrophobicContact CB-CG 3.75Å; R650-Y657 HydrophobicContact CG-CD1 3.66Å; R650-Y657 HydrophobicContact CG-CE1 3.99Å; R650-Y657 HydrophobicContact CG-CG 3.96Å; R650-D664 IonicContact CZ-OD2 3.18Å; R650-D664 IonicContact NH1-OD1 3.29Å; R650-D664 IonicContact NH1-OD2 2.63Å; R650-D664 PolarHBondContact NH1-OD2 2.96Å; R650-D664 IonicContact NH2-OD2 3.12Å; R650-D664 PolarHBondContact NH2-OD2 3.21Å
651	K	85.6	Confident	85.4	Confident	184 Å²	184	82.8 Å²	82.8	80%	0.8	39%	0.391	S	S	*	.	H	α-helix	trans	-69.4	-39.4	178.8	-174.2	-177.5	176.6	-172.8	0	111.9	L647 S648 F649	L647-K651 WeakPolarHBondContact O-CB 3.43Å; L647-K651 PolarHBondContact O-N 3.24Å; S648-K651 WeakPolarHBondContact O-CB 2.92Å; S648-K651 PolarHBondContact O-N 3.43Å; F649-K651 PolarHBondContact O-N 3.26Å
652	T	86	Confident	85.1	Confident	83 Å²	83	84.7 Å²	84.7	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-82.6	-36.8	-177	-50.2	0	0	0	0	112.4	S648 F649	S648-T652 PolarHBondContact O-N 2.89Å; S648-T652 PolarHBondContact O-OG1 3.15Å; S648-T652 VanDerWaalsContact O-OG1 3.06Å; F649-T652 PolarHBondContact O-N 2.86Å; F649-T652 VanDerWaalsContact O-N 3.12Å
653	Y	87.6	Confident	84.6	Confident	80 Å²	80	88.2 Å²	88.2	31%	0.314	43%	0.433	S	S	.	.			trans	-131.9	69.4	-174.9	-54.2	-70.1	0	0	0	111.6	V624 F649 E655 L656 Y657	V624-Y653 HydrophobicContact CG1-CD1 4.28Å; V624-Y653 HydrophobicContact CG1-CD2 3.88Å; V624-Y653 HydrophobicContact CG1-CE1 4.39Å; V624-Y653 HydrophobicContact CG1-CE2 3.99Å; V624-Y653 HydrophobicContact CG1-CG 4.03Å; V624-Y653 HydrophobicContact CG2-CE1 4.45Å; V624-Y653 HydrophobicContact CG2-CE2 4.49Å; F649-Y653 HydrophobicContact CD2-CD2 4.08Å; F649-Y653 HydrophobicContact CE1-CD2 4.32Å; F649-Y653 AromaticContact CE2-CD2 3.85Å; F649-Y653 HydrophobicContact CE2-CD2 3.85Å; F649-Y653 HydrophobicContact CE2-CE2 4.43Å; F649-Y653 HydrophobicContact CG-CD2 4.41Å; F649-Y653 AromaticContact CZ-CD2 3.98Å; F649-Y653 HydrophobicContact CZ-CD2 3.98Å; F649-Y653 HydrophobicContact CZ-CG 4.4Å; F649-Y653 PolarHBondContact O-N 3.44Å; Y653-E655 PolarHBondContact O-N 2.85Å; Y653-L656 HydrophobicContact CD1-CD1 4.41Å; Y653-L656 HydrophobicContact CG-CD1 4.44Å; Y653-L656 PolarHBondContact O-N 3.45Å; Y653-Y657 WeakPolarHBondContact O-CB 3.44Å; Y653-Y657 PolarHBondContact O-N 3.4Å
654	P	82.7	Confident	84.1	Confident	70 Å²	70	86 Å²	86	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-39.8	-172.6	24	-33.6	0	0	0	113.4	R650 Y657 K658	R650-P654 WeakPolarHBondContact O-CA 3.18Å; P654-Y657 PolarHBondContact O-N 3.12Å; P654-K658 WeakPolarHBondContact O-CB 3.39Å; P654-K658 PolarHBondContact O-N 3.49Å
655	E	81.3	Confident	83.2	Confident	142 Å²	142	83.1 Å²	83.1	66%	0.664	42%	0.42	S	S	*	.	H	α-helix	trans	-68.6	-44.4	-178.9	-59.2	-53	138.1	0	0	111.9	Y653 Y657 K658 S659	Y653-E655 PolarHBondContact O-N 2.85Å; E655-Y657 VanDerWaalsContact C-N 3.32Å; E655-Y657 PolarHBondContact O-N 2.88Å; E655-K658 PolarHBondContact O-N 2.83Å; E655-S659 PolarHBondContact O-N 3.23Å
656	L	85	Confident	82	Confident	37 Å²	37	78.5 Å²	78.5	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-66.6	-35.1	176.7	-64.3	176.9	0	0	0	112.1	L621 V624 L625 F649 Y653 S659 R660	L621-L656 HydrophobicContact CD2-CD1 4.01Å; L621-L656 HydrophobicContact CD2-CD2 4.11Å; V624-L656 HydrophobicContact CB-CD1 4.31Å; V624-L656 HydrophobicContact CG1-CD1 3.51Å; L625-L656 HydrophobicContact CD2-CD2 4.43Å; F649-L656 HydrophobicContact CE1-CB 4.35Å; Y653-L656 HydrophobicContact CD1-CD1 4.41Å; Y653-L656 HydrophobicContact CG-CD1 4.44Å; Y653-L656 PolarHBondContact O-N 3.45Å; L656-S659 PolarHBondContact O-OG 3.26Å; L656-R660 PolarHBondContact O-N 3.33Å
657	Y	84.9	Confident	80.5	Confident	6 Å²	6	82.1 Å²	82.1	2%	0.024	43%	0.428	C	S	.	.	H	α-helix	trans	-66.3	-44.2	173.4	-178.4	-91.9	0	0	0	111.4	L646 F649 R650 Y653 P654 E655 R660 F661 D664 L666	L646-Y657 HydrophobicContact CD2-CE2 3.73Å; L646-Y657 HydrophobicContact CG-CE2 3.85Å; F649-Y657 HydrophobicContact CD1-CD2 4.3Å; R650-Y657 HydrophobicContact CB-CD1 3.94Å; R650-Y657 HydrophobicContact CB-CD2 3.91Å; R650-Y657 HydrophobicContact CB-CE1 4.25Å; R650-Y657 HydrophobicContact CB-CE2 4.23Å; R650-Y657 HydrophobicContact CB-CG 3.75Å; R650-Y657 HydrophobicContact CG-CD1 3.66Å; R650-Y657 HydrophobicContact CG-CE1 3.99Å; R650-Y657 HydrophobicContact CG-CG 3.96Å; Y653-Y657 WeakPolarHBondContact O-CB 3.44Å; Y653-Y657 PolarHBondContact O-N 3.4Å; P654-Y657 PolarHBondContact O-N 3.12Å; E655-Y657 VanDerWaalsContact C-N 3.32Å; E655-Y657 PolarHBondContact O-N 2.88Å; Y657-R660 PolarHBondContact O-N 2.87Å; Y657-F661 AromaticContact CD2-CD2 3.76Å; Y657-F661 HydrophobicContact CD2-CD2 3.76Å; Y657-F661 HydrophobicContact CD2-CE2 4.21Å; Y657-F661 HydrophobicContact CE1-CB 4.2Å; Y657-F661 HydrophobicContact CE1-CD2 4.33Å; Y657-F661 AromaticContact CE2-CD2 3.4Å; Y657-F661 HydrophobicContact CE2-CD2 3.4Å; Y657-F661 VanDerWaalsContact CE2-CD2 3.4Å; Y657-F661 AromaticContact CE2-CE2 3.81Å; Y657-F661 HydrophobicContact CE2-CE2 3.81Å; Y657-F661 HydrophobicContact CE2-CG 4.31Å; Y657-F661 HydrophobicContact CG-CD2 4.35Å; Y657-F661 AromaticContact CZ-CD2 3.73Å; Y657-F661 PolarHBondContact O-N 3.41Å; Y657-D664 WeakPolarHBondContact CE1-OD1 3.42Å; Y657-D664 PolarHBondContact OH-OD1 3.39Å; Y657-L666 VanDerWaalsContact OH-CD1 3.24Å; Y657-L666 WeakPolarHBondContact OH-CD1 3.24Å; Y657-L666 WeakPolarHBondContact OH-CG 3.14Å
658	K	85	Confident	79	Confident	140 Å²	140	86.9 Å²	86.9	61%	0.609	45%	0.445	S	S	*	.	H	α-helix	trans	-68.1	-34.1	-179.3	-170.9	-178.5	177.9	-170.8	0	112.7	P654 E655 F661 P662	P654-K658 WeakPolarHBondContact O-CB 3.39Å; P654-K658 PolarHBondContact O-N 3.49Å; E655-K658 PolarHBondContact O-N 2.83Å; K658-F661 CarbonylContact O-C 3.52Å; K658-F661 VanDerWaalsContact O-C 3.28Å; K658-P662 WeakPolarHBondContact O-CA 3.44Å
659	S	83.2	Confident	77.2	Confident	82 Å²	82	91.6 Å²	91.6	57%	0.573	46%	0.456	S	S	*	.	H	α-helix	trans	-65.6	-38.5	174.7	67.3	0	0	0	0	112	E655 L656	E655-S659 PolarHBondContact O-N 3.23Å; L656-S659 PolarHBondContact O-OG 3.26Å
660	R	82.1	Confident	75	Confident	118 Å²	118	94.9 Å²	94.9	45%	0.445	48%	0.478	S	S	.	.	H	α-helix	trans	-80.5	-33.8	178.3	-161.5	67.5	-179.9	-106.1	-3	113.4	L628 D629 L656 Y657 P662	L628-R660 HydrophobicContact CD2-CB 3.76Å; L628-R660 HydrophobicContact CD2-CG 3.91Å; D629-R660 VanDerWaalsContact CG-NH1 3.33Å; D629-R660 IonicContact OD1-CZ 3.1Å; D629-R660 IonicContact OD1-NH1 2.63Å; D629-R660 PolarHBondContact OD1-NH1 3.18Å; D629-R660 IonicContact OD1-NH2 3.69Å; D629-R660 PolarHBondContact OD1-NH2 3.4Å; D629-R660 IonicContact OD2-CZ 2.87Å; D629-R660 IonicContact OD2-NH1 3.01Å; D629-R660 PolarHBondContact OD2-NH1 2.77Å; D629-R660 IonicContact OD2-NH2 3.91Å; L656-R660 PolarHBondContact O-N 3.33Å; Y657-R660 PolarHBondContact O-N 2.87Å; R660-P662 WeakPolarHBondContact O-CD 3.49Å
661	F	84.2	Confident	73.2	Confident	43 Å²	43	96.2 Å²	96.2	19%	0.189	49%	0.492	C	S	.	.			trans	-122.2	76.4	177.3	-59.5	-72.2	0	0	0	111.1	L628 V632 L646 Y657 K658 N663 P665	L628-F661 HydrophobicContact CD1-CE2 4.25Å; L628-F661 HydrophobicContact CD2-CE2 4.44Å; V632-F661 HydrophobicContact CG2-CE2 4.22Å; V632-F661 HydrophobicContact CG2-CZ 3.69Å; L646-F661 HydrophobicContact CD2-CE2 4.39Å; Y657-F661 AromaticContact CD2-CD2 3.76Å; Y657-F661 HydrophobicContact CD2-CD2 3.76Å; Y657-F661 HydrophobicContact CD2-CE2 4.21Å; Y657-F661 HydrophobicContact CE1-CB 4.2Å; Y657-F661 HydrophobicContact CE1-CD2 4.33Å; Y657-F661 AromaticContact CE2-CD2 3.4Å; Y657-F661 HydrophobicContact CE2-CD2 3.4Å; Y657-F661 VanDerWaalsContact CE2-CD2 3.4Å; Y657-F661 AromaticContact CE2-CE2 3.81Å; Y657-F661 HydrophobicContact CE2-CE2 3.81Å; Y657-F661 HydrophobicContact CE2-CG 4.31Å; Y657-F661 HydrophobicContact CG-CD2 4.35Å; Y657-F661 AromaticContact CZ-CD2 3.73Å; Y657-F661 PolarHBondContact O-N 3.41Å; K658-F661 CarbonylContact O-C 3.52Å; K658-F661 VanDerWaalsContact O-C 3.28Å; F661-N663 PolarHBondContact O-N 3.1Å; F661-P665 HydrophobicContact CD1-CG 3.69Å; F661-P665 HydrophobicContact CE1-CG 4.05Å; F661-P665 HydrophobicContact CG-CG 4.17Å
662	P	78.2	Confident	71.6	Confident	100 Å²	100	90.2 Å²	90.2	65%	0.649	47%	0.474	S	S	*	.	S	Bend	trans	-59.5	-39.6	176.3	-20.7	31	0	0	0	111.5	K658 R660	K658-P662 WeakPolarHBondContact O-CA 3.44Å; R660-P662 WeakPolarHBondContact O-CD 3.49Å
663	N	75.4	Confident	70.2	Confident	148 Å²	148	92.5 Å²	92.5	79%	0.791	48%	0.482	S	S	*	.	S	Bend	trans	-98.6	95.5	170.2	-63	-32.9	0	0	0	107.8	F661 P665	F661-N663 PolarHBondContact O-N 3.1Å; N663-P665 WeakPolarHBondContact O-CD 3.34Å; N663-P665 VanDerWaalsContact O-N 3.09Å
664	D	73.8	Confident	68.9	Low	46 Å²	46	94.3 Å²	94.3	25%	0.246	50%	0.496	C	S	.	.			trans	-54	111.4	-176.8	-173.6	13.7	0	0	0	111.4	R650 Y657 L666	R650-D664 IonicContact CZ-OD2 3.18Å; R650-D664 IonicContact NH1-OD1 3.29Å; R650-D664 IonicContact NH1-OD2 2.63Å; R650-D664 PolarHBondContact NH1-OD2 2.96Å; R650-D664 IonicContact NH2-OD2 3.12Å; R650-D664 PolarHBondContact NH2-OD2 3.21Å; Y657-D664 WeakPolarHBondContact CE1-OD1 3.42Å; Y657-D664 PolarHBondContact OH-OD1 3.39Å; D664-L666 PolarHBondContact O-N 3.48Å; D664-L666 WeakPolarHBondContact OD1-CB 3.42Å; D664-L666 PolarHBondContact OD1-N 3.18Å
665	P	66	Low	67.7	Low	80 Å²	80	91.6 Å²	91.6	52%	0.519	48%	0.481	S	S	.	.			trans	-74.9	-14.3	-179.9	30.9	-36	0	0	0	112.2	F661 N663	F661-P665 HydrophobicContact CD1-CG 3.69Å; F661-P665 HydrophobicContact CE1-CG 4.05Å; F661-P665 HydrophobicContact CG-CG 4.17Å; N663-P665 WeakPolarHBondContact O-CD 3.34Å; N663-P665 VanDerWaalsContact O-N 3.09Å
666	L	65	Low	66.8	Low	13 Å²	13	92.2 Å²	92.2	7%	0.068	48%	0.477	C	S	.	.	S	Bend	trans	-76	128.9	176.6	-67.9	168.7	0	0	0	109.1	Q643 L646 L647 Y657 D664 K668	Q643-L666 HydrophobicContact CB-CD2 4.48Å; Q643-L666 HydrophobicContact CG-CD2 4.12Å; L646-L666 HydrophobicContact CB-CD1 4.38Å; L646-L666 HydrophobicContact CD2-CD1 4.09Å; L646-L666 HydrophobicContact CD2-CD2 4.26Å; L646-L666 HydrophobicContact CD2-CG 4.09Å; L647-L666 HydrophobicContact CD1-CD1 3.58Å; L647-L666 HydrophobicContact CD1-CD2 3.82Å; L647-L666 HydrophobicContact CD1-CG 4.25Å; L647-L666 HydrophobicContact CG-CD1 4.31Å; Y657-L666 VanDerWaalsContact OH-CD1 3.24Å; Y657-L666 WeakPolarHBondContact OH-CD1 3.24Å; Y657-L666 WeakPolarHBondContact OH-CG 3.14Å; D664-L666 PolarHBondContact O-N 3.48Å; D664-L666 WeakPolarHBondContact OD1-CB 3.42Å; D664-L666 PolarHBondContact OD1-N 3.18Å; L666-K668 PolarHBondContact O-N 3.2Å; L666-K668 VanDerWaalsContact O-N 3.13Å
667	P	56.7	Low	65.7	Low	91 Å²	91	94.9 Å²	94.9	59%	0.591	49%	0.491	S	S	*	.			trans	-56.9	126.5	175.8	22.2	-30.8	0	0	0	108.8	K669	P667-K669 PolarHBondContact O-N 3.48Å
668	K	56.1	Low	64.6	Low	178 Å²	178	100.9 Å²	100.9	77%	0.774	52%	0.517	S	S	*	.			trans	-51.8	112.1	168.4	-69.6	-179.2	-178.1	176.2	0	106.1	L666 T670	L666-K668 PolarHBondContact O-N 3.2Å; L666-K668 VanDerWaalsContact O-N 3.13Å; K668-T670 PolarHBondContact O-N 2.81Å
669	K	47.5	Very low	63.4	Low	170 Å²	170	102 Å²	102	74%	0.739	53%	0.525	S	S	*	.			trans	-59	94.3	170.1	-97.9	-174.3	175.7	178.1	0	107	P667 N671	P667-K669 PolarHBondContact O-N 3.48Å; K669-N671 VanDerWaalsContact C-N 3.31Å; K669-N671 PolarHBondContact O-N 2.99Å
670	T	42.8	Very low	62.6	Low	82 Å²	82	109.2 Å²	109.2	50%	0.503	54%	0.539	S	S	.	.			trans	-68.8	100.1	166	56.3	0	0	0	0	104.9	K668 S672 G675	K668-T670 PolarHBondContact O-N 2.81Å; T670-S672 PolarHBondContact O-N 2.63Å; T670-G675 WeakPolarHBondContact OG1-CA 3.34Å
671	N	48.1	Very low	61.8	Low	127 Å²	127	109.5 Å²	109.5	68%	0.679	55%	0.547	S	S	*	.			trans	-62.9	-0.4	167.7	-87.3	-24.5	0	0	0	112.4	K669	K669-N671 VanDerWaalsContact C-N 3.31Å; K669-N671 PolarHBondContact O-N 2.99Å
672	S	51.8	Low	60.1	Low	59 Å²	59	110.2 Å²	110.2	41%	0.413	57%	0.567	S	S	.	*	S	Bend	trans	-58.1	134.1	165.8	169.2	0	0	0	0	111.3	T670 I674 G675 R676	T670-S672 PolarHBondContact O-N 2.63Å; S672-I674 PolarHBondContact O-N 3.44Å; S672-I674 VanDerWaalsContact O-N 3.11Å; S672-I674 PolarHBondContact OG-N 2.91Å; S672-G675 PolarHBondContact O-N 2.64Å; S672-R676 PolarHBondContact O-N 3.27Å
673	L	57.5	Low	58.8	Low	131 Å²	131	110 Å²	110	69%	0.686	56%	0.563	S	S	*	*	H	α-helix	trans	-47.6	-35.7	172.3	-118.9	153.8	0	0	0	112.4	G675 R676 L677	L673-G675 VanDerWaalsContact C-N 3.34Å; L673-G675 PolarHBondContact O-N 2.77Å; L673-R676 PolarHBondContact O-N 3.49Å; L673-L677 HydrophobicContact CD2-CD1 4.38Å; L673-L677 PolarHBondContact O-N 2.85Å; L673-L677 VanDerWaalsContact O-N 3.1Å
674	I	59.9	Low	57.2	Low	117 Å²	117	112 Å²	112	60%	0.6	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-38.1	178.8	-61.8	170.2	0	0	0	111.2	S672 L677 K678	S672-I674 PolarHBondContact O-N 3.44Å; S672-I674 VanDerWaalsContact O-N 3.11Å; S672-I674 PolarHBondContact OG-N 2.91Å; I674-L677 PolarHBondContact O-N 2.91Å; I674-K678 PolarHBondContact O-N 3.47Å
675	G	58.4	Low	55.5	Low	14 Å²	14	113.2 Å²	113.2	14%	0.144	58%	0.581	C	S	.	*	H	α-helix	trans	-65.3	-42.9	177.8	0	0	0	0	0	112.7	T670 S672 L673 L677 K678 E679	T670-G675 WeakPolarHBondContact OG1-CA 3.34Å; S672-G675 PolarHBondContact O-N 2.64Å; L673-G675 VanDerWaalsContact C-N 3.34Å; L673-G675 PolarHBondContact O-N 2.77Å; G675-L677 VanDerWaalsContact C-N 3.29Å; G675-L677 PolarHBondContact O-N 2.91Å; G675-K678 PolarHBondContact O-N 3.41Å; G675-E679 PolarHBondContact O-N 3.25Å; G675-E679 VanDerWaalsContact O-N 3.13Å
676	R	61.1	Low	53.8	Low	154 Å²	154	115.9 Å²	115.9	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-65.5	-33.9	175.6	-63.6	-175.2	-166.3	164.3	5.5	112.1	S672 L673 R680	S672-R676 PolarHBondContact O-N 3.27Å; L673-R676 PolarHBondContact O-N 3.49Å; R676-R680 WeakPolarHBondContact O-CB 2.98Å; R676-R680 PolarHBondContact O-N 2.99Å
677	L	62.8	Low	52.5	Low	94 Å²	94	125.1 Å²	125.1	49%	0.492	63%	0.631	S	S	.	*	H	α-helix	trans	-68.4	-42.9	175.4	-117.1	117.5	0	0	0	111.7	L673 I674 G675 R680 M681	L673-L677 HydrophobicContact CD2-CD1 4.38Å; L673-L677 PolarHBondContact O-N 2.85Å; L673-L677 VanDerWaalsContact O-N 3.1Å; I674-L677 PolarHBondContact O-N 2.91Å; G675-L677 VanDerWaalsContact C-N 3.29Å; G675-L677 PolarHBondContact O-N 2.91Å; L677-R680 PolarHBondContact O-N 3.44Å; L677-M681 HydrophobicContact CD2-CE 4.3Å; L677-M681 HydrophobicContact CD2-SD 4.42Å; L677-M681 WeakPolarHBondContact O-CG 2.96Å; L677-M681 PolarHBondContact O-N 3.42Å
678	K	62.1	Low	51.1	Low	132 Å²	132	132.8 Å²	132.8	57%	0.574	66%	0.662	S	S	*	*	H	α-helix	trans	-62.1	-42	177.1	-81.7	-171.8	173.6	-173.8	0	112.8	I674 G675 R680 M681 G682	I674-K678 PolarHBondContact O-N 3.47Å; G675-K678 PolarHBondContact O-N 3.41Å; K678-R680 VanDerWaalsContact C-N 3.34Å; K678-R680 PolarHBondContact O-N 3.01Å; K678-M681 PolarHBondContact O-N 3.21Å; K678-G682 PolarHBondContact O-N 3.37Å
679	E	59.9	Low	50.9	Low	162 Å²	162	130.5 Å²	130.5	76%	0.757	66%	0.657	S	S	*	*	H	α-helix	trans	-60.9	-42	173.8	-100	-178.9	163.4	0	0	112	G675 M681 G682	G675-E679 PolarHBondContact O-N 3.25Å; G675-E679 VanDerWaalsContact O-N 3.13Å; E679-M681 VanDerWaalsContact C-N 3.35Å; E679-M681 PolarHBondContact O-N 3.27Å; E679-G682 PolarHBondContact O-N 3.39Å
680	R	66.4	Low	51.1	Low	234 Å²	234	128.4 Å²	128.4	88%	0.883	65%	0.652	S	S	*	*	H	α-helix	trans	-73	-27	-178.1	-152.3	177.1	-170.3	177.6	1.4	113.3	R676 L677 K678 G682	R676-R680 WeakPolarHBondContact O-CB 2.98Å; R676-R680 PolarHBondContact O-N 2.99Å; L677-R680 PolarHBondContact O-N 3.44Å; K678-R680 VanDerWaalsContact C-N 3.34Å; K678-R680 PolarHBondContact O-N 3.01Å; R680-G682 VanDerWaalsContact C-N 3.33Å
681	M	64.6	Low	51.5	Low	124 Å²	124	131 Å²	131	61%	0.611	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-0.2	175.7	-66.8	-165.5	-58.5	0	0	113.6	L677 K678 E679 V683	L677-M681 HydrophobicContact CD2-CE 4.3Å; L677-M681 HydrophobicContact CD2-SD 4.42Å; L677-M681 WeakPolarHBondContact O-CG 2.96Å; L677-M681 PolarHBondContact O-N 3.42Å; K678-M681 PolarHBondContact O-N 3.21Å; E679-M681 VanDerWaalsContact C-N 3.35Å; E679-M681 PolarHBondContact O-N 3.27Å; M681-V683 HydrophobicContact CB-CG2 4.08Å; M681-V683 PolarHBondContact O-N 2.95Å; M681-V683 VanDerWaalsContact O-N 3.13Å
682	G	48.1	Very low	51.7	Low	58 Å²	58	131.2 Å²	131.2	60%	0.598	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.9	19.5	174.8	0	0	0	0	0	114.7	K678 E679 R680 K684	K678-G682 PolarHBondContact O-N 3.37Å; E679-G682 PolarHBondContact O-N 3.39Å; R680-G682 VanDerWaalsContact C-N 3.33Å; G682-K684 PolarHBondContact O-N 3.42Å
683	V	51.4	Low	51.7	Low	96 Å²	96	135.8 Å²	135.8	58%	0.582	68%	0.675	S	S	*	*			trans	-72.4	94.5	179.3	-174.9	0	0	0	0	108	M681 A685	M681-V683 HydrophobicContact CB-CG2 4.08Å; M681-V683 PolarHBondContact O-N 2.95Å; M681-V683 VanDerWaalsContact O-N 3.13Å; V683-A685 PolarHBondContact O-N 2.74Å; V683-A685 VanDerWaalsContact O-N 3.16Å
684	K	40.6	Very low	51.3	Low	190 Å²	190	136.1 Å²	136.1	83%	0.826	67%	0.674	S	S	*	*			trans	-58.2	117.5	170.1	-70.5	-177.5	178.6	179.1	0	107.5	G682 V686	G682-K684 PolarHBondContact O-N 3.42Å; K684-V686 PolarHBondContact O-N 3.18Å
685	A	39	Very low	50.7	Low	71 Å²	71	137.4 Å²	137.4	59%	0.587	68%	0.679	S	S	*	*			trans	-60.1	108.9	164.6	0	0	0	0	0	106.8	V683 Y687	V683-A685 PolarHBondContact O-N 2.74Å; V683-A685 VanDerWaalsContact O-N 3.16Å; A685-Y687 HydrophobicContact CB-CD2 4.37Å; A685-Y687 HydrophobicContact CB-CE2 4.05Å; A685-Y687 PolarHBondContact O-N 3.29Å; A685-Y687 VanDerWaalsContact O-N 3.13Å
686	V	30.7	Very low	50.1	Low	136 Å²	136	146.9 Å²	146.9	82%	0.824	72%	0.721	S	S	*	*			trans	-66.9	106.1	166.6	178.6	0	0	0	0	105.2	K684 M688	K684-V686 PolarHBondContact O-N 3.18Å; V686-M688 PolarHBondContact O-N 3.47Å
687	Y	37.2	Very low	49.2	Very low	207 Å²	207	146.3 Å²	146.3	81%	0.812	73%	0.732	S	S	*	*			trans	-80.6	112	165.9	-77.1	-86.3	0	0	0	106.8	A685	A685-Y687 HydrophobicContact CB-CD2 4.37Å; A685-Y687 HydrophobicContact CB-CE2 4.05Å; A685-Y687 PolarHBondContact O-N 3.29Å; A685-Y687 VanDerWaalsContact O-N 3.13Å
688	M	27.7	Very low	48	Very low	252 Å²	252	151.1 Å²	151.1	100%	1.241	75%	0.754	S	S	*	*			trans	-77.1	0	149.5	-84.4	-163.5	166.4	0	0	109.1	V686	V686-M688 PolarHBondContact O-N 3.47Å

Retrieved 688 of 688 residues in 557.7 ms (Link to these results)

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