G4V9J2_SCHMA Loading...

B-related factor 1

AlphaFold DB , UniProt , Accession G4V9J2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 770 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	73.7	Confident	86.3	Confident	191 Å²	191	94 Å²	94	94%	0.941	50%	0.497	S	S	*	.				0	144.7	0	-75.2	-83	-119	0	0	108.8	L11	M1-L11 HydrophobicContact CB-CD1 3.64Å
2	K	86	Confident	86.4	Confident	158 Å²	158	95.8 Å²	95.8	69%	0.687	50%	0.5	S	S	*	.			trans	-118.7	140.6	170.4	-69.9	-177.9	179.9	-176.6	0	108.1	K4	K2-K4 PolarHBondContact O-N 3.29Å
3	C	87.7	Confident	86.2	Confident	2 Å²	2	96.9 Å²	96.9	1%	0.014	50%	0.502	C	S	.	.			trans	-61.7	130.2	175.9	172.1	0	0	0	0	110.3	H5 C6 G7 C8 L11 C22 C25 M27 L29	C3-H5 PolarHBondContact O-N 3.14Å; C3-H5 PolarHBondContact SG-N 3.35Å; C3-H5 VanDerWaalsContact SG-N 3.42Å; C3-C6 WeakPolarHBondContact CB-SG 3.31Å; C3-C6 PolarHBondContact SG-SG 3.41Å; C3-G7 WeakPolarHBondContact O-CA 3.34Å; C3-G7 PolarHBondContact O-N 3.49Å; C3-C8 WeakPolarHBondContact CB-O 3.26Å; C3-C8 PolarHBondContact N-O 3.36Å; C3-L11 HydrophobicContact CB-CD2 3.99Å; C3-C22 HydrophobicContact CB-CB 3.95Å; C3-C22 VanDerWaalsContact CB-SG 3.5Å; C3-C22 VanDerWaalsContact SG-SG 3.65Å; C3-C25 PolarHBondContact SG-SG 3.46Å; C3-M27 WeakPolarHBondContact SG-CE 3.19Å; C3-L29 HydrophobicContact CB-CD1 3.92Å; C3-L29 HydrophobicContact CB-CD2 4.29Å
4	K	86.6	Confident	85.9	Confident	203 Å²	203	93 Å²	93	88%	0.883	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.4	-178.8	-66.7	-178.2	-179.2	175	0	113.6	K2	K2-K4 PolarHBondContact O-N 3.29Å
5	H	85.5	Confident	85.3	Confident	146 Å²	146	99.7 Å²	99.7	68%	0.676	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-48.2	-173.1	-168.7	-74.9	0	0	0	113.5	C3 M27	C3-H5 PolarHBondContact O-N 3.14Å; C3-H5 PolarHBondContact SG-N 3.35Å; C3-H5 VanDerWaalsContact SG-N 3.42Å; H5-M27 HydrophobicContact CB-CE 3.21Å; H5-M27 HydrophobicContact CB-SD 3.45Å; H5-M27 WeakPolarHBondContact CB-SD 3.43Å
6	C	91.5	Very high	84.6	Confident	57 Å²	57	99.3 Å²	99.3	39%	0.385	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.5	176	58.9	0	0	0	0	113.6	C3 C8 C22 C25	C3-C6 WeakPolarHBondContact CB-SG 3.31Å; C3-C6 PolarHBondContact SG-SG 3.41Å; C6-C8 HydrophobicContact CB-CB 4.12Å; C6-C8 WeakPolarHBondContact CB-SG 3.46Å; C6-C8 PolarHBondContact O-N 3.27Å; C6-C8 WeakPolarHBondContact SG-CB 3.41Å; C6-C8 PolarHBondContact SG-N 3.42Å; C6-C8 CovalentContact SG-SG 2.05Å; C6-C8 PolarHBondContact SG-SG 3.29Å; C6-C22 PolarHBondContact SG-SG 3.16Å; C6-C25 HydrophobicContact CB-CB 4.12Å
7	G	87.3	Confident	84.3	Confident	44 Å²	44	103.4 Å²	103.4	45%	0.454	52%	0.523	S	S	.	.			trans	71.7	-2.3	-169.4	0	0	0	0	0	115	C3	C3-G7 WeakPolarHBondContact O-CA 3.34Å; C3-G7 PolarHBondContact O-N 3.49Å
8	C	85.2	Confident	84	Confident	23 Å²	23	99.6 Å²	99.6	16%	0.155	51%	0.51	C	S	.	.			trans	-75.3	150.4	-178.5	61.6	0	0	0	0	112.3	C3 C6 C22 D24	C3-C8 WeakPolarHBondContact CB-O 3.26Å; C3-C8 PolarHBondContact N-O 3.36Å; C6-C8 HydrophobicContact CB-CB 4.12Å; C6-C8 WeakPolarHBondContact CB-SG 3.46Å; C6-C8 PolarHBondContact O-N 3.27Å; C6-C8 WeakPolarHBondContact SG-CB 3.41Å; C6-C8 PolarHBondContact SG-N 3.42Å; C6-C8 CovalentContact SG-SG 2.05Å; C6-C8 PolarHBondContact SG-SG 3.29Å; C8-C22 PolarHBondContact SG-SG 2.73Å; C8-D24 HydrophobicContact CB-CB 4.49Å; C8-D24 WeakPolarHBondContact CB-OD2 3.01Å; C8-D24 VanDerWaalsContact SG-CB 3.55Å; C8-D24 PolarHBondContact SG-OD2 2.85Å
9	S	88.1	Confident	84.2	Confident	93 Å²	93	95.9 Å²	95.9	65%	0.65	49%	0.491	S	S	*	.			trans	-100.5	6.9	-177.9	54.9	0	0	0	0	113.3	L11	S9-L11 PolarHBondContact O-N 2.9Å
10	N	91.1	Very high	84.3	Confident	77 Å²	77	92.1 Å²	92.1	41%	0.412	47%	0.472	S	S	.	.			trans	-85.9	85.7	-178.5	-165.3	17.3	0	0	0	110	L23 D24	N10-L23 PolarHBondContact O-N 2.86Å; N10-D24 PolarHBondContact ND2-OD1 3.33Å; N10-D24 VanDerWaalsContact ND2-OD1 3.09Å
11	L	86.9	Confident	84.6	Confident	40 Å²	40	89.3 Å²	89.3	21%	0.209	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.4	-176.6	-48.1	178.7	0	0	0	108.9	M1 C3 S9 L20 I21 C22 L29	M1-L11 HydrophobicContact CB-CD1 3.64Å; C3-L11 HydrophobicContact CB-CD2 3.99Å; S9-L11 PolarHBondContact O-N 2.9Å; L11-L20 HydrophobicContact CB-CD1 3.84Å; L11-L20 HydrophobicContact CB-CG 4.38Å; L11-L20 HydrophobicContact CD1-CD2 4.33Å; L11-I21 CarbonylContact C-O 3.47Å; L11-I21 WeakPolarHBondContact CA-O 3.4Å; L11-C22 HydrophobicContact CD2-CB 3.67Å; L11-L29 HydrophobicContact CD1-CD1 3.61Å; L11-L29 HydrophobicContact CD2-CD1 3.25Å; L11-L29 HydrophobicContact CG-CD1 4.03Å
12	E	86.7	Confident	85.4	Confident	115 Å²	115	80.2 Å²	80.2	54%	0.537	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.9	177.4	-174.6	167.2	-162.1	0	0	110	I21 L23	E12-I21 PolarHBondContact N-O 3.47Å; E12-I21 PolarHBondContact O-N 3.12Å; E12-L23 HydrophobicContact CB-CD1 3.98Å; E12-L23 HydrophobicContact CB-CD2 4Å; E12-L23 HydrophobicContact CB-CG 3.92Å; E12-L23 WeakPolarHBondContact OE2-CD2 3.48Å
13	E	84.6	Confident	85.6	Confident	111 Å²	111	76.8 Å²	76.8	52%	0.519	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.1	176	-69.5	177.9	-177.9	0	0	109.1	R15 D19 L20	E13-R15 PolarHBondContact O-N 3.02Å; E13-D19 CarbonylContact C-O 3.58Å; E13-D19 WeakPolarHBondContact CA-O 3.01Å; E13-L20 HydrophobicContact CG-CB 4.46Å; E13-L20 HydrophobicContact CG-CD1 3.44Å; E13-L20 VanDerWaalsContact CG-CD1 3.44Å
14	D	82.1	Confident	85.7	Confident	42 Å²	42	81.5 Å²	81.5	23%	0.225	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	101.6	173.9	-174.8	-12.8	0	0	0	109	A16 R17 A18 D19 I21	D14-A16 VanDerWaalsContact C-N 3.26Å; D14-A16 PolarHBondContact O-N 3.12Å; D14-A16 PolarHBondContact OD1-N 3.24Å; D14-R17 HydrophobicContact CB-CB 4.48Å; D14-R17 PolarHBondContact O-N 3.28Å; D14-R17 IonicContact OD2-CZ 3.66Å; D14-R17 IonicContact OD2-NE 3.47Å; D14-R17 PolarHBondContact OD2-NE 3.16Å; D14-R17 IonicContact OD2-NH2 3.26Å; D14-R17 PolarHBondContact OD2-NH2 3.18Å; D14-A18 VanDerWaalsContact O-CA 3.31Å; D14-A18 WeakPolarHBondContact O-CA 3.05Å; D14-A18 PolarHBondContact O-N 2.78Å; D14-D19 PolarHBondContact N-O 3.44Å; D14-D19 PolarHBondContact O-N 3.36Å; D14-I21 HydrophobicContact CB-CD1 4.07Å
15	R	76.5	Confident	85.9	Confident	193 Å²	193	74.2 Å²	74.2	73%	0.728	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.9	-179.5	-64.4	179.7	175.5	-155	-13.6	113.5	E13 R17 E37	E13-R15 PolarHBondContact O-N 3.02Å; R15-R17 VanDerWaalsContact C-N 3.3Å; R15-E37 IonicContact CZ-OE2 3.31Å; R15-E37 IonicContact NH1-OE2 3.88Å; R15-E37 IonicContact NH2-OE1 3.44Å; R15-E37 PolarHBondContact NH2-OE1 3.24Å; R15-E37 IonicContact NH2-OE2 2.77Å; R15-E37 PolarHBondContact NH2-OE2 3.27Å
16	A	74.9	Confident	86	Confident	94 Å²	94	69.7 Å²	69.7	78%	0.777	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.9	-176.6	0	0	0	0	0	112.1	D14	D14-A16 VanDerWaalsContact C-N 3.26Å; D14-A16 PolarHBondContact O-N 3.12Å; D14-A16 PolarHBondContact OD1-N 3.24Å
17	R	79.4	Confident	85.7	Confident	169 Å²	169	69.8 Å²	69.8	64%	0.638	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-10.8	179.3	-71.1	-175	-97.6	-160.5	-5.3	114.2	D14 R15 D19	D14-R17 HydrophobicContact CB-CB 4.48Å; D14-R17 PolarHBondContact O-N 3.28Å; D14-R17 IonicContact OD2-CZ 3.66Å; D14-R17 IonicContact OD2-NE 3.47Å; D14-R17 PolarHBondContact OD2-NE 3.16Å; D14-R17 IonicContact OD2-NH2 3.26Å; D14-R17 PolarHBondContact OD2-NH2 3.18Å; R15-R17 VanDerWaalsContact C-N 3.3Å; R17-D19 HydrophobicContact CB-CB 4.32Å; R17-D19 WeakPolarHBondContact CB-OD2 3.49Å; R17-D19 PolarHBondContact O-N 3Å
18	A	77.8	Confident	85.8	Confident	35 Å²	35	70.5 Å²	70.5	29%	0.289	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	34.3	-171	0	0	0	0	0	113.2	D14 N32 V33	D14-A18 VanDerWaalsContact O-CA 3.31Å; D14-A18 WeakPolarHBondContact O-CA 3.05Å; D14-A18 PolarHBondContact O-N 2.78Å; A18-N32 CarbonylContact O-C 3.51Å; A18-N32 VanDerWaalsContact O-CA 3.28Å; A18-N32 WeakPolarHBondContact O-CA 3.48Å; A18-N32 PolarHBondContact O-N 3.21Å; A18-V33 PolarHBondContact O-N 3Å
19	D	87.7	Confident	85.8	Confident	29 Å²	29	72 Å²	72	16%	0.155	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.1	-176.6	-69.7	-24.3	0	0	0	111.1	E13 D14 R17 I21 V28 G30 E31	E13-D19 CarbonylContact C-O 3.58Å; E13-D19 WeakPolarHBondContact CA-O 3.01Å; D14-D19 PolarHBondContact N-O 3.44Å; D14-D19 PolarHBondContact O-N 3.36Å; R17-D19 HydrophobicContact CB-CB 4.32Å; R17-D19 WeakPolarHBondContact CB-OD2 3.49Å; R17-D19 PolarHBondContact O-N 3Å; D19-I21 HydrophobicContact CB-CD1 4.22Å; D19-I21 HydrophobicContact CB-CG1 3.92Å; D19-V28 HydrophobicContact CB-CG1 4.02Å; D19-G30 CarbonylContact C-O 3.55Å; D19-G30 WeakPolarHBondContact CA-O 3.45Å; D19-E31 WeakPolarHBondContact OD1-CA 3.29Å
20	L	87.5	Confident	85.4	Confident	20 Å²	20	68.7 Å²	68.7	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.1	168.5	179.1	70.9	0	0	0	108.9	L11 E13 V28 L29 G30 V33	L11-L20 HydrophobicContact CB-CD1 3.84Å; L11-L20 HydrophobicContact CB-CG 4.38Å; L11-L20 HydrophobicContact CD1-CD2 4.33Å; E13-L20 HydrophobicContact CG-CB 4.46Å; E13-L20 HydrophobicContact CG-CD1 3.44Å; E13-L20 VanDerWaalsContact CG-CD1 3.44Å; L20-V28 CarbonylContact O-C 3.58Å; L20-L29 HydrophobicContact CD2-CB 4.18Å; L20-L29 HydrophobicContact CG-CB 4.39Å; L20-L29 PolarHBondContact O-N 3.13Å; L20-G30 PolarHBondContact N-O 3.19Å; L20-V33 HydrophobicContact CB-CG2 3.85Å
21	I	89.4	Confident	84.8	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.169	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.4	-172.8	-46.8	179.6	0	0	0	109.1	L11 E12 D14 D19 V28	L11-I21 CarbonylContact C-O 3.47Å; L11-I21 WeakPolarHBondContact CA-O 3.4Å; E12-I21 PolarHBondContact N-O 3.47Å; E12-I21 PolarHBondContact O-N 3.12Å; D14-I21 HydrophobicContact CB-CD1 4.07Å; D19-I21 HydrophobicContact CB-CD1 4.22Å; D19-I21 HydrophobicContact CB-CG1 3.92Å; I21-V28 HydrophobicContact CG1-CG2 4.29Å
22	C	90.8	Very high	84.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.1	168.6	-178.7	0	0	0	0	110	C3 C6 C8 L11 D24 C25 G26 M27 L29	C3-C22 HydrophobicContact CB-CB 3.95Å; C3-C22 VanDerWaalsContact CB-SG 3.5Å; C3-C22 VanDerWaalsContact SG-SG 3.65Å; C6-C22 PolarHBondContact SG-SG 3.16Å; C8-C22 PolarHBondContact SG-SG 2.73Å; L11-C22 HydrophobicContact CD2-CB 3.67Å; C22-D24 PolarHBondContact O-N 3.05Å; C22-C25 PolarHBondContact SG-SG 2.74Å; C22-G26 CarbonylContact O-C 3.57Å; C22-G26 WeakPolarHBondContact O-CA 3.32Å; C22-G26 PolarHBondContact O-N 2.91Å; C22-M27 WeakPolarHBondContact CB-O 3.17Å; C22-M27 PolarHBondContact N-O 3.18Å; C22-L29 HydrophobicContact CB-CD1 4.37Å
23	L	90.4	Very high	83.4	Confident	86 Å²	86	73 Å²	73	45%	0.45	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-32.1	-175.1	-69.9	179.8	0	0	0	113.6	N10 E12	N10-L23 PolarHBondContact O-N 2.86Å; E12-L23 HydrophobicContact CB-CD1 3.98Å; E12-L23 HydrophobicContact CB-CD2 4Å; E12-L23 HydrophobicContact CB-CG 3.92Å; E12-L23 WeakPolarHBondContact OE2-CD2 3.48Å
24	D	89.1	Confident	82.7	Confident	101 Å²	101	75.6 Å²	75.6	54%	0.54	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-26	-173.4	-50.9	-31.9	0	0	0	112.8	C8 N10 C22	C8-D24 HydrophobicContact CB-CB 4.49Å; C8-D24 WeakPolarHBondContact CB-OD2 3.01Å; C8-D24 VanDerWaalsContact SG-CB 3.55Å; C8-D24 PolarHBondContact SG-OD2 2.85Å; N10-D24 PolarHBondContact ND2-OD1 3.33Å; N10-D24 VanDerWaalsContact ND2-OD1 3.09Å; C22-D24 PolarHBondContact O-N 3.05Å
25	C	91.6	Very high	82	Confident	50 Å²	50	77 Å²	77	34%	0.338	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-2.1	177.6	67.7	0	0	0	0	114.2	C3 C6 C22 M27	C3-C25 PolarHBondContact SG-SG 3.46Å; C6-C25 HydrophobicContact CB-CB 4.12Å; C22-C25 PolarHBondContact SG-SG 2.74Å; C25-M27 PolarHBondContact O-N 2.94Å; C25-M27 VanDerWaalsContact SG-CB 3.56Å
26	G	87.3	Confident	81.7	Confident	51 Å²	51	73.6 Å²	73.6	53%	0.526	43%	0.43	S	S	.	.			trans	67.6	7.2	-177.6	0	0	0	0	0	114.9	C22	C22-G26 CarbonylContact O-C 3.57Å; C22-G26 WeakPolarHBondContact O-CA 3.32Å; C22-G26 PolarHBondContact O-N 2.91Å
27	M	85.6	Confident	81.5	Confident	59 Å²	59	74.9 Å²	74.9	29%	0.291	42%	0.42	S	S	.	.			trans	-83	127.9	-172.6	-164.5	178.9	63.7	0	0	111.5	C3 H5 C22 C25 L29	C3-M27 WeakPolarHBondContact SG-CE 3.19Å; H5-M27 HydrophobicContact CB-CE 3.21Å; H5-M27 HydrophobicContact CB-SD 3.45Å; H5-M27 WeakPolarHBondContact CB-SD 3.43Å; C22-M27 WeakPolarHBondContact CB-O 3.17Å; C22-M27 PolarHBondContact N-O 3.18Å; C25-M27 PolarHBondContact O-N 2.94Å; C25-M27 VanDerWaalsContact SG-CB 3.56Å; M27-L29 HydrophobicContact CE-CD2 3.53Å; M27-L29 PolarHBondContact O-N 3.44Å
28	V	89	Confident	81.3	Confident	59 Å²	59	71.6 Å²	71.6	36%	0.358	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.6	172.7	-172.5	0	0	0	0	109.1	D19 L20 I21 E31	D19-V28 HydrophobicContact CB-CG1 4.02Å; L20-V28 CarbonylContact O-C 3.58Å; I21-V28 HydrophobicContact CG1-CG2 4.29Å; V28-E31 HydrophobicContact CG1-CG 3.85Å
29	L	85.2	Confident	81.3	Confident	54 Å²	54	76 Å²	76	28%	0.283	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-20.3	-179.7	-67.4	173.9	0	0	0	113.1	C3 L11 L20 C22 M27	C3-L29 HydrophobicContact CB-CD1 3.92Å; C3-L29 HydrophobicContact CB-CD2 4.29Å; L11-L29 HydrophobicContact CD1-CD1 3.61Å; L11-L29 HydrophobicContact CD2-CD1 3.25Å; L11-L29 HydrophobicContact CG-CD1 4.03Å; L20-L29 HydrophobicContact CD2-CB 4.18Å; L20-L29 HydrophobicContact CG-CB 4.39Å; L20-L29 PolarHBondContact O-N 3.13Å; C22-L29 HydrophobicContact CB-CD1 4.37Å; M27-L29 HydrophobicContact CE-CD2 3.53Å; M27-L29 PolarHBondContact O-N 3.44Å
30	G	79.7	Confident	81	Confident	24 Å²	24	81 Å²	81	25%	0.247	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	131.3	176.1	0	0	0	0	0	110.2	D19 L20	D19-G30 CarbonylContact C-O 3.55Å; D19-G30 WeakPolarHBondContact CA-O 3.45Å; L20-G30 PolarHBondContact N-O 3.19Å
31	E	79.5	Confident	80.9	Confident	149 Å²	149	83.5 Å²	83.5	70%	0.696	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.3	173	-62.9	171.9	-175.5	0	0	108	D19 V28	D19-E31 WeakPolarHBondContact OD1-CA 3.29Å; V28-E31 HydrophobicContact CG1-CG 3.85Å
32	N	73.1	Confident	81	Confident	125 Å²	125	88.9 Å²	88.9	67%	0.668	49%	0.494	S	S	*	.	S	Bend	trans	62	47.5	-175.6	-50.8	-62.7	0	0	0	115	A18 I34	A18-N32 CarbonylContact O-C 3.51Å; A18-N32 VanDerWaalsContact O-CA 3.28Å; A18-N32 WeakPolarHBondContact O-CA 3.48Å; A18-N32 PolarHBondContact O-N 3.21Å; N32-I34 PolarHBondContact O-N 3.43Å
33	V	70.7	Confident	80.6	Confident	50 Å²	50	91.6 Å²	91.6	30%	0.303	51%	0.51	S	S	.	.			trans	-64.3	121.9	173.2	179.6	0	0	0	0	109.9	A18 L20 S35	A18-V33 PolarHBondContact O-N 3Å; L20-V33 HydrophobicContact CB-CG2 3.85Å; V33-S35 PolarHBondContact O-N 3.24Å
34	I	69.6	Low	80.4	Confident	164 Å²	164	93.9 Å²	93.9	84%	0.841	53%	0.533	S	S	*	.			trans	-74	110.6	-179.4	-55.3	171.8	0	0	0	108	N32	N32-I34 PolarHBondContact O-N 3.43Å
35	S	67.5	Low	80.4	Confident	72 Å²	72	94 Å²	94	50%	0.503	54%	0.538	S	S	.	.			trans	-73.8	135	173.8	-175.4	0	0	0	0	110.4	V33 E37	V33-S35 PolarHBondContact O-N 3.24Å; S35-E37 VanDerWaalsContact C-N 3.3Å; S35-E37 PolarHBondContact OG-N 2.8Å
36	S	70.3	Confident	80	Confident	121 Å²	121	94.3 Å²	94.3	85%	0.846	55%	0.55	S	S	*	*			trans	-84.3	-3.3	175.9	54.6	0	0	0	0	113.5
37	E	71.6	Confident	79.9	Confident	122 Å²	122	98.6 Å²	98.6	57%	0.57	56%	0.557	S	S	*	*			trans	-71.9	131.4	178.2	-66.1	-179.1	176.7	0	0	110.7	R15 S35	R15-E37 IonicContact CZ-OE2 3.31Å; R15-E37 IonicContact NH1-OE2 3.88Å; R15-E37 IonicContact NH2-OE1 3.44Å; R15-E37 PolarHBondContact NH2-OE1 3.24Å; R15-E37 IonicContact NH2-OE2 2.77Å; R15-E37 PolarHBondContact NH2-OE2 3.27Å; S35-E37 VanDerWaalsContact C-N 3.3Å; S35-E37 PolarHBondContact OG-N 2.8Å
38	V	74.2	Confident	79.8	Confident	99 Å²	99	99.7 Å²	99.7	60%	0.6	57%	0.569	S	S	*	*			trans	-88.4	109.7	178.4	-175.9	0	0	0	0	109.1	F40 A50	V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CG1-CD2 4.25Å; V38-F40 HydrophobicContact CG1-CE1 4.37Å; V38-F40 HydrophobicContact CG1-CE2 3.56Å; V38-F40 HydrophobicContact CG1-CZ 3.63Å; V38-A50 HydrophobicContact CG1-CB 4.01Å
39	E	77.4	Confident	79.3	Confident	127 Å²	127	99 Å²	99	59%	0.593	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.4	143.8	174.2	-173.5	172.9	-170.6	0	0	110	A50 V51	E39-A50 CarbonylContact O-C 3.58Å; E39-A50 VanDerWaalsContact O-CA 3.32Å; E39-A50 WeakPolarHBondContact O-CA 3.44Å; E39-V51 HydrophobicContact CB-CB 4.32Å; E39-V51 PolarHBondContact O-N 3.36Å
40	F	82.4	Confident	79.1	Confident	134 Å²	134	99.1 Å²	99.1	59%	0.588	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.1	130.3	176.8	-66.6	-93.9	0	0	0	109.7	V38 A49 A50	V38-F40 HydrophobicContact CB-CE2 4.22Å; V38-F40 HydrophobicContact CG1-CD2 4.25Å; V38-F40 HydrophobicContact CG1-CE1 4.37Å; V38-F40 HydrophobicContact CG1-CE2 3.56Å; V38-F40 HydrophobicContact CG1-CZ 3.63Å; F40-A49 CarbonylContact C-O 3.56Å; F40-A49 WeakPolarHBondContact CA-O 3.37Å; F40-A50 HydrophobicContact CD1-CB 3.81Å; F40-A50 HydrophobicContact CE1-CB 3.63Å; F40-A50 HydrophobicContact CZ-CB 4.29Å
41	V	85.7	Confident	78.7	Confident	73 Å²	73	101.6 Å²	101.6	44%	0.442	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	132.8	176	167.8	0	0	0	0	109.3	T43 A49 V51	V41-T43 PolarHBondContact O-N 3.11Å; V41-A49 PolarHBondContact N-O 3.49Å; V41-A49 PolarHBondContact O-N 3.49Å; V41-V51 HydrophobicContact CB-CG2 3.59Å; V41-V51 HydrophobicContact CG2-CG2 3.25Å
42	E	89.5	Confident	78.4	Confident	147 Å²	147	98 Å²	98	69%	0.687	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.5	115.8	172	-73.4	177.9	-174.6	0	0	109.3	C48	E42-C48 VanDerWaalsContact CG-SG 3.56Å
43	T	83.4	Confident	78.2	Confident	56 Å²	56	101 Å²	101	34%	0.344	59%	0.593	S	S	.	*			trans	-67	157	168.3	57.6	0	0	0	0	109.5	V41 T45 G46 Q47 A49	V41-T43 PolarHBondContact O-N 3.11Å; T43-T45 PolarHBondContact O-N 2.83Å; T43-T45 PolarHBondContact OG1-OG1 2.84Å; T43-T45 VanDerWaalsContact OG1-OG1 3.05Å; T43-G46 PolarHBondContact O-N 2.87Å; T43-Q47 PolarHBondContact N-O 3.28Å; T43-Q47 PolarHBondContact OG1-N 3.39Å; T43-Q47 PolarHBondContact OG1-O 3.34Å; T43-A49 HydrophobicContact CG2-CB 4.09Å
44	S	86	Confident	78	Confident	134 Å²	134	107 Å²	107	94%	0.937	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-14.3	-178.3	55.3	0	0	0	0	114.6	G46	S44-G46 VanDerWaalsContact C-N 3.33Å
45	T	88.6	Confident	77.6	Confident	103 Å²	103	104.8 Å²	104.8	63%	0.632	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	4.4	174.1	54.8	0	0	0	0	113.6	T43 Q47	T43-T45 PolarHBondContact O-N 2.83Å; T43-T45 PolarHBondContact OG1-OG1 2.84Å; T43-T45 VanDerWaalsContact OG1-OG1 3.05Å; T45-Q47 VanDerWaalsContact C-N 3.29Å; T45-Q47 PolarHBondContact O-N 3.08Å
46	G	84.7	Confident	77.3	Confident	58 Å²	58	103.7 Å²	103.7	60%	0.598	60%	0.601	S	S	*	*	S	Bend	trans	77.1	10.5	-177.7	0	0	0	0	0	114.2	T43 S44	T43-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact C-N 3.33Å
47	Q	85	Confident	76.7	Confident	141 Å²	141	105.7 Å²	105.7	66%	0.659	60%	0.603	S	S	*	*			trans	-91	125.2	175.3	-62.2	180	-21.3	0	0	109.9	T43 T45 A49	T43-Q47 PolarHBondContact N-O 3.28Å; T43-Q47 PolarHBondContact OG1-N 3.39Å; T43-Q47 PolarHBondContact OG1-O 3.34Å; T45-Q47 VanDerWaalsContact C-N 3.29Å; T45-Q47 PolarHBondContact O-N 3.08Å; Q47-A49 PolarHBondContact O-N 3.12Å
48	C	83.4	Confident	75.7	Confident	82 Å²	82	106.6 Å²	106.6	55%	0.554	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.9	117.7	172.7	-62.4	0	0	0	0	110	E42	E42-C48 VanDerWaalsContact CG-SG 3.56Å
49	A	79	Confident	74.6	Confident	45 Å²	45	103.6 Å²	103.6	37%	0.372	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	132.5	173.5	0	0	0	0	0	109.7	F40 V41 T43 Q47 V51	F40-A49 CarbonylContact C-O 3.56Å; F40-A49 WeakPolarHBondContact CA-O 3.37Å; V41-A49 PolarHBondContact N-O 3.49Å; V41-A49 PolarHBondContact O-N 3.49Å; T43-A49 HydrophobicContact CG2-CB 4.09Å; Q47-A49 PolarHBondContact O-N 3.12Å; A49-V51 PolarHBondContact O-N 3.35Å
50	A	79.5	Confident	73.5	Confident	56 Å²	56	105.4 Å²	105.4	46%	0.463	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.1	127.6	173.1	0	0	0	0	0	109.9	V38 E39 F40	V38-A50 HydrophobicContact CG1-CB 4.01Å; E39-A50 CarbonylContact O-C 3.58Å; E39-A50 VanDerWaalsContact O-CA 3.32Å; E39-A50 WeakPolarHBondContact O-CA 3.44Å; F40-A50 HydrophobicContact CD1-CB 3.81Å; F40-A50 HydrophobicContact CE1-CB 3.63Å; F40-A50 HydrophobicContact CZ-CB 4.29Å
51	V	72.6	Confident	71.9	Confident	76 Å²	76	103.7 Å²	103.7	46%	0.461	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.7	116.1	173.6	-178.5	0	0	0	0	108.4	E39 V41 A49	E39-V51 HydrophobicContact CB-CB 4.32Å; E39-V51 PolarHBondContact O-N 3.36Å; V41-V51 HydrophobicContact CB-CG2 3.59Å; V41-V51 HydrophobicContact CG2-CG2 3.25Å; A49-V51 PolarHBondContact O-N 3.35Å
52	G	72.7	Confident	70.3	Confident	72 Å²	72	102.2 Å²	102.2	74%	0.742	61%	0.609	S	S	*	*	S	Bend	trans	134.8	178	177.2	0	0	0	0	0	112.7
53	R	69.4	Low	68.6	Low	189 Å²	189	99.1 Å²	99.1	71%	0.713	60%	0.597	S	S	*	*			trans	-113.3	121.1	176.2	-173.9	169.3	-177.5	144	-1.8	108.1	V55	R53-V55 PolarHBondContact O-N 2.97Å
54	F	66.8	Low	67.4	Low	175 Å²	175	104.5 Å²	104.5	77%	0.768	62%	0.616	S	S	*	*			trans	-61.4	125.9	174.8	-179.6	-102.8	0	0	0	110.1
55	V	60.8	Low	66.3	Low	118 Å²	118	106.6 Å²	106.6	72%	0.715	61%	0.608	S	S	*	*			trans	-118.9	109.9	171.5	-174.4	0	0	0	0	106.4	R53	R53-V55 PolarHBondContact O-N 2.97Å
56	S	61.6	Low	65.3	Low	49 Å²	49	106.7 Å²	106.7	34%	0.343	60%	0.602	S	S	.	*			trans	-78.2	130.5	-177.8	-164.3	0	0	0	0	110.9	E58	S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 PolarHBondContact OG-N 3.05Å
57	D	56.9	Low	65	Low	164 Å²	164	107.4 Å²	107.4	88%	0.877	60%	0.597	S	S	*	*	S	Bend	trans	-67.3	-35.3	168	-162.4	35.2	0	0	0	110.6	S59	D57-S59 PolarHBondContact O-N 3.45Å
58	E	50.1	Low	64.9	Low	140 Å²	140	105.8 Å²	105.8	65%	0.654	59%	0.585	S	S	*	*			trans	-77.4	37	177.1	-158.3	66.1	-137.8	0	0	113.1	S56 Q60	S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 PolarHBondContact OG-N 3.05Å; E58-Q60 PolarHBondContact O-N 2.93Å; E58-Q60 VanDerWaalsContact O-N 3.13Å
59	S	52.3	Low	64.9	Low	36 Å²	36	106.1 Å²	106.1	25%	0.252	58%	0.579	S	S	.	*	H	α-helix	trans	-67.9	-5	178.2	46.2	0	0	0	0	113.3	D57 A61 G62 N63	D57-S59 PolarHBondContact O-N 3.45Å; S59-A61 PolarHBondContact O-N 2.74Å; S59-A61 VanDerWaalsContact O-N 3.14Å; S59-G62 PolarHBondContact O-N 3.06Å; S59-G62 VanDerWaalsContact O-N 3.08Å; S59-N63 PolarHBondContact O-N 3.3Å; S59-N63 PolarHBondContact O-ND2 3.42Å; S59-N63 PolarHBondContact O-OD1 3.4Å
60	Q	52.8	Low	65.2	Low	165 Å²	165	106.7 Å²	106.7	77%	0.771	58%	0.583	S	S	*	*	H	α-helix	trans	-56.8	-33.5	178.4	-68.6	-154.3	4.9	0	0	114.2	E58 N63	E58-Q60 PolarHBondContact O-N 2.93Å; E58-Q60 VanDerWaalsContact O-N 3.13Å; Q60-N63 PolarHBondContact O-ND2 3.02Å
61	A	49.5	Very low	65.5	Low	98 Å²	98	106.9 Å²	106.9	81%	0.81	58%	0.579	S	S	*	*	H	α-helix	trans	-94.9	-19.3	176.1	0	0	0	0	0	114	S59	S59-A61 PolarHBondContact O-N 2.74Å; S59-A61 VanDerWaalsContact O-N 3.14Å
62	G	51.5	Low	66.4	Low	42 Å²	42	104.6 Å²	104.6	43%	0.433	56%	0.563	S	S	.	*	H	α-helix	trans	-91.7	-7.5	178.9	0	0	0	0	0	115.1	S59 F64 K65	S59-G62 PolarHBondContact O-N 3.06Å; S59-G62 VanDerWaalsContact O-N 3.08Å; G62-F64 PolarHBondContact O-N 3.36Å; G62-K65 PolarHBondContact O-N 2.79Å
63	N	53.4	Low	67.3	Low	83 Å²	83	104.3 Å²	104.3	44%	0.444	54%	0.544	S	S	.	.	H	α-helix	trans	-45.7	-29.1	-173.5	-85	-24.7	0	0	0	115.5	S59 Q60 S67	S59-N63 PolarHBondContact O-N 3.3Å; S59-N63 PolarHBondContact O-ND2 3.42Å; S59-N63 PolarHBondContact O-OD1 3.4Å; Q60-N63 PolarHBondContact O-ND2 3.02Å; N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.99Å
64	F	58.4	Low	68.3	Low	168 Å²	168	101.1 Å²	101.1	74%	0.737	54%	0.536	S	S	*	.	H	α-helix	trans	-70.1	-46.3	-177.2	-170.1	-102.8	0	0	0	113.6	G62 R68	G62-F64 PolarHBondContact O-N 3.36Å; F64-R68 PolarHBondContact O-N 3.24Å
65	K	63.8	Low	69.5	Low	179 Å²	179	92.8 Å²	92.8	78%	0.778	50%	0.499	S	S	*	.	H	α-helix	trans	-72.3	-41.7	-178.3	-80.1	-175.2	178.3	177	0	111.4	G62 R68 Q69	G62-K65 PolarHBondContact O-N 2.79Å; K65-R68 PolarHBondContact O-N 3.43Å; K65-Q69 PolarHBondContact O-N 2.9Å
66	E	68.1	Low	71.2	Confident	105 Å²	105	92.7 Å²	92.7	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-42.2	179.4	-173.1	164.2	-164	0	0	111.7	R68 Q69 A70	E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.17Å; E66-Q69 PolarHBondContact O-N 3.46Å; E66-A70 WeakPolarHBondContact O-CB 3.23Å; E66-A70 PolarHBondContact O-N 3.37Å
67	S	78.2	Confident	72.8	Confident	73 Å²	73	99.1 Å²	99.1	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-39.3	175.7	-177.7	0	0	0	0	112.5	N63 A70 T71	N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.99Å; S67-A70 PolarHBondContact O-N 2.87Å; S67-T71 WeakPolarHBondContact O-CB 3.45Å; S67-T71 PolarHBondContact O-N 2.76Å; S67-T71 PolarHBondContact O-OG1 3.25Å
68	R	81.4	Confident	74.5	Confident	106 Å²	106	93.6 Å²	93.6	40%	0.4	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-49.1	173.9	-179.1	176.7	171.3	173.7	-0.4	111.4	F64 K65 E66 A70 T71 E72	F64-R68 PolarHBondContact O-N 3.24Å; K65-R68 PolarHBondContact O-N 3.43Å; E66-R68 VanDerWaalsContact C-N 3.33Å; E66-R68 PolarHBondContact O-N 3.17Å; R68-A70 VanDerWaalsContact C-N 3.3Å; R68-A70 PolarHBondContact O-N 3.15Å; R68-T71 WeakPolarHBondContact O-CB 3.47Å; R68-T71 PolarHBondContact O-N 3.26Å; R68-T71 VanDerWaalsContact O-N 3.14Å; R68-E72 IonicContact CZ-OE1 3.58Å; R68-E72 IonicContact NE-OE1 2.96Å; R68-E72 PolarHBondContact NE-OE1 2.88Å; R68-E72 IonicContact NH2-OE1 3.01Å; R68-E72 WeakPolarHBondContact O-CG 3.43Å; R68-E72 PolarHBondContact O-N 3.31Å
69	Q	83.7	Confident	76.7	Confident	90 Å²	90	87 Å²	87	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-39.1	179	-171.4	174.5	27.1	0	0	111.7	K65 E66 T71 E72 N73	K65-Q69 PolarHBondContact O-N 2.9Å; E66-Q69 PolarHBondContact O-N 3.46Å; Q69-T71 VanDerWaalsContact C-N 3.34Å; Q69-T71 PolarHBondContact O-N 3.42Å; Q69-E72 PolarHBondContact O-N 3.39Å; Q69-N73 WeakPolarHBondContact O-CB 3.34Å; Q69-N73 VanDerWaalsContact O-CG 3.24Å; Q69-N73 PolarHBondContact O-N 3.15Å; Q69-N73 PolarHBondContact O-ND2 3.39Å
70	A	86.1	Confident	78.8	Confident	56 Å²	56	88.9 Å²	88.9	46%	0.463	45%	0.446	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.4	0	0	0	0	0	111.9	E66 S67 R68 N73 K74	E66-A70 WeakPolarHBondContact O-CB 3.23Å; E66-A70 PolarHBondContact O-N 3.37Å; S67-A70 PolarHBondContact O-N 2.87Å; R68-A70 VanDerWaalsContact C-N 3.3Å; R68-A70 PolarHBondContact O-N 3.15Å; A70-N73 PolarHBondContact O-N 3.41Å; A70-K74 WeakPolarHBondContact O-CB 3.42Å; A70-K74 PolarHBondContact O-N 2.83Å
71	T	86.6	Confident	80.8	Confident	60 Å²	60	85 Å²	85	37%	0.368	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-43.4	175.9	-59.3	0	0	0	0	111.7	S67 R68 Q69 K74 A75 L104	S67-T71 WeakPolarHBondContact O-CB 3.45Å; S67-T71 PolarHBondContact O-N 2.76Å; S67-T71 PolarHBondContact O-OG1 3.25Å; R68-T71 WeakPolarHBondContact O-CB 3.47Å; R68-T71 PolarHBondContact O-N 3.26Å; R68-T71 VanDerWaalsContact O-N 3.14Å; Q69-T71 VanDerWaalsContact C-N 3.34Å; Q69-T71 PolarHBondContact O-N 3.42Å; T71-K74 PolarHBondContact O-N 2.71Å; T71-A75 WeakPolarHBondContact O-CB 3.37Å; T71-A75 PolarHBondContact O-N 3.47Å; T71-L104 HydrophobicContact CG2-CD2 4.28Å
72	E	90	Very high	83	Confident	28 Å²	28	80.8 Å²	80.8	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175	-72.9	-177.3	-159.9	0	0	111.4	R68 Q69 K74 A75 R76 F97 Q101 L104	R68-E72 IonicContact CZ-OE1 3.58Å; R68-E72 IonicContact NE-OE1 2.96Å; R68-E72 PolarHBondContact NE-OE1 2.88Å; R68-E72 IonicContact NH2-OE1 3.01Å; R68-E72 WeakPolarHBondContact O-CG 3.43Å; R68-E72 PolarHBondContact O-N 3.31Å; Q69-E72 PolarHBondContact O-N 3.39Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 3.35Å; E72-A75 WeakPolarHBondContact O-CB 3.38Å; E72-A75 PolarHBondContact O-N 3.22Å; E72-A75 VanDerWaalsContact O-N 3.12Å; E72-R76 PolarHBondContact O-N 3.39Å; E72-F97 HydrophobicContact CB-CE2 4.46Å; E72-F97 HydrophobicContact CB-CZ 4.26Å; E72-F97 WeakPolarHBondContact O-CE2 3.44Å; E72-Q101 PolarHBondContact OE2-NE2 2.92Å; E72-L104 HydrophobicContact CG-CD1 3.64Å
73	N	91.1	Very high	85.1	Confident	66 Å²	66	79 Å²	79	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-40	176.4	-73.6	-22	0	0	0	112.1	Q69 A70 A75 R76 R77	Q69-N73 WeakPolarHBondContact O-CB 3.34Å; Q69-N73 VanDerWaalsContact O-CG 3.24Å; Q69-N73 PolarHBondContact O-N 3.15Å; Q69-N73 PolarHBondContact O-ND2 3.39Å; A70-N73 PolarHBondContact O-N 3.41Å; N73-A75 VanDerWaalsContact C-N 3.33Å; N73-R76 PolarHBondContact O-N 3.41Å; N73-R77 WeakPolarHBondContact O-CG 3.37Å; N73-R77 PolarHBondContact O-N 2.9Å; N73-R77 VanDerWaalsContact O-N 3.08Å
74	K	91.5	Very high	87	Confident	122 Å²	122	77.6 Å²	77.6	53%	0.53	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-38.8	174.4	-168.4	176.3	-167.6	175.9	0	111.5	A70 T71 E72 R78	A70-K74 WeakPolarHBondContact O-CB 3.42Å; A70-K74 PolarHBondContact O-N 2.83Å; T71-K74 PolarHBondContact O-N 2.71Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 3.35Å; K74-R78 VanDerWaalsContact CE-NH2 3.28Å; K74-R78 WeakPolarHBondContact O-CD 3.44Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.01Å; K74-R78 VanDerWaalsContact O-N 3.16Å
75	A	92.7	Very high	88.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-67	-42.6	175.8	0	0	0	0	0	112.3	T71 E72 N73 R78 I79 Y100	T71-A75 WeakPolarHBondContact O-CB 3.37Å; T71-A75 PolarHBondContact O-N 3.47Å; E72-A75 WeakPolarHBondContact O-CB 3.38Å; E72-A75 PolarHBondContact O-N 3.22Å; E72-A75 VanDerWaalsContact O-N 3.12Å; N73-A75 VanDerWaalsContact C-N 3.33Å; A75-R78 WeakPolarHBondContact O-CB 3.4Å; A75-R78 PolarHBondContact O-N 3.06Å; A75-I79 WeakPolarHBondContact O-CG1 3.42Å; A75-I79 PolarHBondContact O-N 2.84Å; A75-Y100 HydrophobicContact CB-CD1 3.46Å; A75-Y100 VanDerWaalsContact CB-CD1 3.46Å; A75-Y100 HydrophobicContact CB-CE1 3.08Å; A75-Y100 HydrophobicContact CB-CE2 4.4Å; A75-Y100 HydrophobicContact CB-CG 4.26Å
76	R	95.3	Very high	90	Very high	117 Å²	117	68.5 Å²	68.5	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-53.7	174.5	-174.1	175.5	-69.3	-171.1	-2.3	111.2	E72 N73 R78 I79 D80 F97	E72-R76 PolarHBondContact O-N 3.39Å; N73-R76 PolarHBondContact O-N 3.41Å; R76-R78 VanDerWaalsContact C-N 3.26Å; R76-R78 PolarHBondContact O-N 3.35Å; R76-I79 PolarHBondContact O-N 3.25Å; R76-I79 VanDerWaalsContact O-N 3.08Å; R76-D80 WeakPolarHBondContact CG-OD2 3.34Å; R76-D80 VanDerWaalsContact O-CG 3.25Å; R76-D80 PolarHBondContact O-N 3.47Å; R76-F97 HydrophobicContact CB-CD2 3.74Å; R76-F97 HydrophobicContact CB-CE2 3.65Å; R76-F97 HydrophobicContact CB-CZ 4.42Å; R76-F97 HydrophobicContact CG-CD2 4.2Å; R76-F97 HydrophobicContact CG-CE2 4.4Å
77	R	95	Very high	91.2	Very high	183 Å²	183	74.7 Å²	74.7	69%	0.691	37%	0.366	S	S	*	.	H	α-helix	trans	-54.9	-40.8	177.6	-69	175.9	-172.8	172.6	2.3	112.5	N73 T81	N73-R77 WeakPolarHBondContact O-CG 3.37Å; N73-R77 PolarHBondContact O-N 2.9Å; N73-R77 VanDerWaalsContact O-N 3.08Å; R77-T81 WeakPolarHBondContact O-CB 3.44Å; R77-T81 PolarHBondContact O-N 3.32Å; R77-T81 PolarHBondContact O-OG1 3.32Å
78	R	93.9	Very high	91.9	Very high	49 Å²	49	72.2 Å²	72.2	19%	0.185	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-46.3	176.9	-73.4	165.6	173	169	-9.5	112.1	K74 A75 R76 D80 T81 I82 F115	K74-R78 VanDerWaalsContact CE-NH2 3.28Å; K74-R78 WeakPolarHBondContact O-CD 3.44Å; K74-R78 VanDerWaalsContact O-CG 3.26Å; K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.01Å; K74-R78 VanDerWaalsContact O-N 3.16Å; A75-R78 WeakPolarHBondContact O-CB 3.4Å; A75-R78 PolarHBondContact O-N 3.06Å; R76-R78 VanDerWaalsContact C-N 3.26Å; R76-R78 PolarHBondContact O-N 3.35Å; R78-D80 VanDerWaalsContact C-N 3.34Å; R78-T81 PolarHBondContact O-N 3.3Å; R78-I82 WeakPolarHBondContact O-CG1 3.36Å; R78-I82 PolarHBondContact O-N 3.13Å; R78-F115 HydrophobicContact CG-CE1 4.11Å; R78-F115 HydrophobicContact CG-CZ 4.42Å
79	I	96.2	Very high	92.3	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-47	177.6	-71.4	170.3	0	0	0	109.7	A75 R76 T81 I82 C83 A93 A96 F97 Y100 A118 I122	A75-I79 WeakPolarHBondContact O-CG1 3.42Å; A75-I79 PolarHBondContact O-N 2.84Å; R76-I79 PolarHBondContact O-N 3.25Å; R76-I79 VanDerWaalsContact O-N 3.08Å; I79-T81 VanDerWaalsContact C-N 3.3Å; I79-T81 PolarHBondContact O-N 2.83Å; I79-I82 PolarHBondContact O-N 3.24Å; I79-C83 VanDerWaalsContact O-CB 3.28Å; I79-C83 WeakPolarHBondContact O-CB 3.49Å; I79-C83 PolarHBondContact O-N 3.22Å; I79-C83 PolarHBondContact O-SG 3.37Å; I79-A93 HydrophobicContact CG2-CB 4.34Å; I79-A96 HydrophobicContact CG2-CB 3.94Å; I79-F97 HydrophobicContact CD1-CB 4.29Å; I79-F97 HydrophobicContact CD1-CD2 4.38Å; I79-Y100 HydrophobicContact CD1-CD2 4.34Å; I79-Y100 HydrophobicContact CD1-CG 4.15Å; I79-A118 HydrophobicContact CG1-CB 3.96Å; I79-I122 HydrophobicContact CG1-CD1 4.45Å; I79-I122 HydrophobicContact CG1-CG1 4.49Å; I79-I122 HydrophobicContact CG2-CD1 4.25Å; I79-I122 HydrophobicContact CG2-CG1 4.07Å
80	D	95.9	Very high	92.7	Very high	76 Å²	76	71.6 Å²	71.6	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-38.8	178.4	-63.8	-24.1	0	0	0	111.8	R76 R78 G84	R76-D80 WeakPolarHBondContact CG-OD2 3.34Å; R76-D80 VanDerWaalsContact O-CG 3.25Å; R76-D80 PolarHBondContact O-N 3.47Å; R78-D80 VanDerWaalsContact C-N 3.34Å; D80-G84 PolarHBondContact O-N 3.43Å
81	T	94.7	Very high	93.2	Very high	84 Å²	84	75 Å²	75	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-47.7	175.9	-56.1	0	0	0	0	111.4	R77 R78 I79 G84 Q85	R77-T81 WeakPolarHBondContact O-CB 3.44Å; R77-T81 PolarHBondContact O-N 3.32Å; R77-T81 PolarHBondContact O-OG1 3.32Å; R78-T81 PolarHBondContact O-N 3.3Å; I79-T81 VanDerWaalsContact C-N 3.3Å; I79-T81 PolarHBondContact O-N 2.83Å; T81-G84 PolarHBondContact O-N 3.13Å; T81-Q85 WeakPolarHBondContact O-CG 3.44Å; T81-Q85 PolarHBondContact O-N 3.33Å
82	I	95.2	Very high	93.6	Very high	9 Å²	9	72.4 Å²	72.4	5%	0.046	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-43.3	-179.5	-63	163.8	0	0	0	110.5	R78 I79 G84 Q85 L86 I122 L138 V142	R78-I82 WeakPolarHBondContact O-CG1 3.36Å; R78-I82 PolarHBondContact O-N 3.13Å; I79-I82 PolarHBondContact O-N 3.24Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 3.23Å; I82-Q85 PolarHBondContact O-N 2.97Å; I82-L86 HydrophobicContact CG2-CD1 4.01Å; I82-L86 PolarHBondContact O-N 2.87Å; I82-I122 HydrophobicContact CB-CD1 3.69Å; I82-I122 HydrophobicContact CD1-CD1 4.14Å; I82-I122 HydrophobicContact CG2-CD1 3.55Å; I82-L138 HydrophobicContact CG2-CD1 3.83Å; I82-V142 HydrophobicContact CD1-CG2 4.07Å; I82-V142 HydrophobicContact CG1-CG2 4.37Å; I82-V142 HydrophobicContact CG2-CG2 4.09Å
83	C	95.2	Very high	93.9	Very high	4 Å²	4	71.2 Å²	71.2	3%	0.027	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-39.5	175.5	-73.5	0	0	0	0	111.6	I79 L86 R87 L88 A93	I79-C83 VanDerWaalsContact O-CB 3.28Å; I79-C83 WeakPolarHBondContact O-CB 3.49Å; I79-C83 PolarHBondContact O-N 3.22Å; I79-C83 PolarHBondContact O-SG 3.37Å; C83-L86 CarbonylContact O-C 3.56Å; C83-L86 PolarHBondContact O-N 2.87Å; C83-R87 PolarHBondContact O-N 3.28Å; C83-L88 HydrophobicContact CB-CB 4.13Å; C83-L88 PolarHBondContact O-N 3Å; C83-A93 HydrophobicContact CB-CB 4.09Å
84	G	94	Very high	94.1	Very high	54 Å²	54	70.2 Å²	70.2	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-62.8	-44.5	175.2	0	0	0	0	0	112.9	D80 T81 I82 L86 R87	D80-G84 PolarHBondContact O-N 3.43Å; T81-G84 PolarHBondContact O-N 3.13Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 3.23Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.35Å; G84-R87 PolarHBondContact O-N 3.28Å
85	Q	93.6	Very high	94.3	Very high	119 Å²	119	64.8 Å²	64.8	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-39.1	175.2	-72.4	174.6	-13.5	0	0	112.3	T81 I82 R87	T81-Q85 WeakPolarHBondContact O-CG 3.44Å; T81-Q85 PolarHBondContact O-N 3.33Å; I82-Q85 PolarHBondContact O-N 2.97Å; Q85-R87 VanDerWaalsContact C-N 3.34Å
86	L	92.9	Very high	94.5	Very high	37 Å²	37	64.8 Å²	64.8	19%	0.194	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	0.6	179.8	-67.5	172.5	0	0	0	114	I82 C83 G84 L88 L133 D137 L138 A141	I82-L86 HydrophobicContact CG2-CD1 4.01Å; I82-L86 PolarHBondContact O-N 2.87Å; C83-L86 CarbonylContact O-C 3.56Å; C83-L86 PolarHBondContact O-N 2.87Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.35Å; L86-L88 HydrophobicContact CB-CD1 4.05Å; L86-L88 HydrophobicContact CB-CD2 4.46Å; L86-L88 HydrophobicContact CB-CG 3.79Å; L86-L88 HydrophobicContact CD1-CD1 4.16Å; L86-L88 PolarHBondContact O-N 3.44Å; L86-L133 HydrophobicContact CD1-CD1 3.99Å; L86-L133 HydrophobicContact CD2-CD1 4.33Å; L86-D137 HydrophobicContact CD2-CB 4.12Å; L86-L138 HydrophobicContact CD1-CB 4.48Å; L86-L138 HydrophobicContact CD1-CD1 3.63Å; L86-A141 HydrophobicContact CD1-CB 4.32Å; L86-A141 HydrophobicContact CD2-CB 3.85Å; L86-A141 HydrophobicContact CG-CB 4.02Å
87	R	92.9	Very high	94.5	Very high	235 Å²	235	59.8 Å²	59.8	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.4	-175.9	-56.6	178.9	178.2	-90.9	0.2	113.4	C83 G84 Q85	C83-R87 PolarHBondContact O-N 3.28Å; G84-R87 PolarHBondContact O-N 3.28Å; Q85-R87 VanDerWaalsContact C-N 3.34Å
88	L	93	Very high	94.6	Very high	22 Å²	22	57.6 Å²	57.6	12%	0.115	31%	0.306	C	S	.	.			trans	-79.5	143.9	176.1	-58.6	175.3	0	0	0	110.3	C83 L86 T92 I122 V131 L133	C83-L88 HydrophobicContact CB-CB 4.13Å; C83-L88 PolarHBondContact O-N 3Å; L86-L88 HydrophobicContact CB-CD1 4.05Å; L86-L88 HydrophobicContact CB-CD2 4.46Å; L86-L88 HydrophobicContact CB-CG 3.79Å; L86-L88 HydrophobicContact CD1-CD1 4.16Å; L86-L88 PolarHBondContact O-N 3.44Å; L88-T92 HydrophobicContact CB-CG2 4.39Å; L88-T92 HydrophobicContact CD1-CG2 4.22Å; L88-I122 HydrophobicContact CD1-CG2 3.57Å; L88-V131 HydrophobicContact CD2-CG1 3.92Å; L88-L133 HydrophobicContact CD1-CD2 3.98Å; L88-L133 HydrophobicContact CD2-CB 4.46Å; L88-L133 HydrophobicContact CD2-CD1 4.5Å; L88-L133 HydrophobicContact CD2-CD2 4.41Å
89	G	89.8	Confident	94.7	Very high	42 Å²	42	57.1 Å²	57.1	43%	0.433	30%	0.304	S	S	.	.			trans	-65.8	156.4	178.4	0	0	0	0	0	113.2	D91 T92 A93	G89-D91 PolarHBondContact O-N 3.46Å; G89-D91 VanDerWaalsContact O-N 3.17Å; G89-T92 WeakPolarHBondContact O-CB 3.37Å; G89-T92 PolarHBondContact O-N 3.3Å; G89-A93 PolarHBondContact O-N 2.99Å
90	N	92.5	Very high	94.6	Very high	141 Å²	141	57.3 Å²	57.3	75%	0.754	31%	0.305	S	S	*	.	H	α-helix	trans	-57.1	-32.2	-179.9	-69.1	-18.3	0	0	0	112.8	T92 A93 A94	N90-T92 VanDerWaalsContact C-N 3.28Å; N90-T92 PolarHBondContact O-N 3.38Å; N90-A93 PolarHBondContact O-N 2.97Å; N90-A94 WeakPolarHBondContact O-CB 3.35Å; N90-A94 PolarHBondContact O-N 3.07Å
91	D	94.7	Very high	94.5	Very high	126 Å²	126	56.6 Å²	56.6	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-37.5	176.3	-59.1	-29.5	0	0	0	112.1	G89 S95 L129	G89-D91 PolarHBondContact O-N 3.46Å; G89-D91 VanDerWaalsContact O-N 3.17Å; D91-S95 VanDerWaalsContact O-CB 3.3Å; D91-S95 WeakPolarHBondContact O-CB 3.44Å; D91-S95 PolarHBondContact O-N 3.45Å; D91-L129 HydrophobicContact CB-CD1 4.5Å
92	T	95.5	Very high	94.4	Very high	6 Å²	6	55 Å²	55	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-43	177	-55.7	0	0	0	0	110.4	L88 G89 N90 S95 A96 A125 A126	L88-T92 HydrophobicContact CB-CG2 4.39Å; L88-T92 HydrophobicContact CD1-CG2 4.22Å; G89-T92 WeakPolarHBondContact O-CB 3.37Å; G89-T92 PolarHBondContact O-N 3.3Å; N90-T92 VanDerWaalsContact C-N 3.28Å; N90-T92 PolarHBondContact O-N 3.38Å; T92-S95 PolarHBondContact O-N 3.49Å; T92-A96 WeakPolarHBondContact O-CB 3.18Å; T92-A96 PolarHBondContact O-N 3.08Å; T92-A125 HydrophobicContact CG2-CB 4.19Å; T92-A126 HydrophobicContact CG2-CB 4.4Å
93	A	95.9	Very high	94.4	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-45.6	176.3	0	0	0	0	0	111.9	I79 C83 G89 N90 S95 A96 F97	I79-A93 HydrophobicContact CG2-CB 4.34Å; C83-A93 HydrophobicContact CB-CB 4.09Å; G89-A93 PolarHBondContact O-N 2.99Å; N90-A93 PolarHBondContact O-N 2.97Å; A93-S95 PolarHBondContact O-N 3.27Å; A93-A96 PolarHBondContact O-N 3.11Å; A93-F97 WeakPolarHBondContact O-CB 3.45Å; A93-F97 PolarHBondContact O-N 2.84Å
94	A	96.4	Very high	94.2	Very high	45 Å²	45	55.9 Å²	55.9	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-43.3	176.8	0	0	0	0	0	111.8	N90 F97 R98	N90-A94 WeakPolarHBondContact O-CB 3.35Å; N90-A94 PolarHBondContact O-N 3.07Å; A94-F97 PolarHBondContact O-N 2.78Å; A94-R98 WeakPolarHBondContact O-CG 3.37Å; A94-R98 PolarHBondContact O-N 3.3Å
95	S	95.5	Very high	94	Very high	8 Å²	8	60.8 Å²	60.8	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-39.6	176.5	-161.2	0	0	0	0	112.6	D91 T92 A93 F97 R98 Y99	D91-S95 VanDerWaalsContact O-CB 3.3Å; D91-S95 WeakPolarHBondContact O-CB 3.44Å; D91-S95 PolarHBondContact O-N 3.45Å; T92-S95 PolarHBondContact O-N 3.49Å; A93-S95 PolarHBondContact O-N 3.27Å; S95-F97 VanDerWaalsContact C-N 3.3Å; S95-F97 PolarHBondContact O-N 2.95Å; S95-R98 VanDerWaalsContact CB-NH2 3.28Å; S95-R98 PolarHBondContact O-N 3Å; S95-R98 PolarHBondContact OG-NH2 3.43Å; S95-Y99 WeakPolarHBondContact O-CD2 3.46Å; S95-Y99 PolarHBondContact O-N 2.71Å
96	A	96.5	Very high	93.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-40.6	174.6	0	0	0	0	0	111.2	I79 T92 A93 Y99 Y100 I122 A125	I79-A96 HydrophobicContact CG2-CB 3.94Å; T92-A96 WeakPolarHBondContact O-CB 3.18Å; T92-A96 PolarHBondContact O-N 3.08Å; A93-A96 PolarHBondContact O-N 3.11Å; A96-Y99 PolarHBondContact O-N 2.97Å; A96-Y100 WeakPolarHBondContact O-CB 3.21Å; A96-Y100 PolarHBondContact O-N 3.1Å; A96-I122 HydrophobicContact CB-CB 4.37Å; A96-I122 HydrophobicContact CB-CG1 3.83Å; A96-A125 HydrophobicContact CB-CB 3.89Å
97	F	96.5	Very high	93.6	Very high	11 Å²	11	61 Å²	61	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-42.6	175.2	-179.4	-103.1	0	0	0	112.1	E72 R76 I79 A93 A94 S95 Y99 Y100 Q101	E72-F97 HydrophobicContact CB-CE2 4.46Å; E72-F97 HydrophobicContact CB-CZ 4.26Å; E72-F97 WeakPolarHBondContact O-CE2 3.44Å; R76-F97 HydrophobicContact CB-CD2 3.74Å; R76-F97 HydrophobicContact CB-CE2 3.65Å; R76-F97 HydrophobicContact CB-CZ 4.42Å; R76-F97 HydrophobicContact CG-CD2 4.2Å; R76-F97 HydrophobicContact CG-CE2 4.4Å; I79-F97 HydrophobicContact CD1-CB 4.29Å; I79-F97 HydrophobicContact CD1-CD2 4.38Å; A93-F97 WeakPolarHBondContact O-CB 3.45Å; A93-F97 PolarHBondContact O-N 2.84Å; A94-F97 PolarHBondContact O-N 2.78Å; S95-F97 VanDerWaalsContact C-N 3.3Å; S95-F97 PolarHBondContact O-N 2.95Å; F97-Y99 PolarHBondContact O-N 3.5Å; F97-Y100 WeakPolarHBondContact O-CB 3.47Å; F97-Y100 PolarHBondContact O-N 3.46Å; F97-Y100 VanDerWaalsContact O-N 3.14Å; F97-Q101 HydrophobicContact CD1-CG 4.29Å; F97-Q101 HydrophobicContact CE1-CG 3.75Å; F97-Q101 VanDerWaalsContact CE1-NE2 3.34Å; F97-Q101 VanDerWaalsContact CE1-OE1 3.3Å; F97-Q101 HydrophobicContact CE2-CG 4.24Å; F97-Q101 HydrophobicContact CZ-CG 3.74Å; F97-Q101 WeakPolarHBondContact O-CG 3.27Å; F97-Q101 PolarHBondContact O-N 3.05Å
98	R	95.6	Very high	93.4	Very high	138 Å²	138	50.4 Å²	50.4	52%	0.521	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-46.9	173.7	-71.2	-172	-62.4	-94.9	3.4	111.9	A94 S95 Y100 Q101 S102	A94-R98 WeakPolarHBondContact O-CG 3.37Å; A94-R98 PolarHBondContact O-N 3.3Å; S95-R98 VanDerWaalsContact CB-NH2 3.28Å; S95-R98 PolarHBondContact O-N 3Å; S95-R98 PolarHBondContact OG-NH2 3.43Å; R98-Y100 VanDerWaalsContact C-N 3.26Å; R98-Y100 PolarHBondContact O-N 3.05Å; R98-Q101 PolarHBondContact O-N 3.4Å; R98-S102 PolarHBondContact O-N 3.49Å; R98-S102 PolarHBondContact O-OG 3.06Å
99	Y	95.5	Very high	93.1	Very high	38 Å²	38	50.7 Å²	50.7	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-36.3	175.2	-71.1	-54.8	0	0	0	112.4	S95 A96 F97 S102 A103 L124 A125 L160 L162	S95-Y99 WeakPolarHBondContact O-CD2 3.46Å; S95-Y99 PolarHBondContact O-N 2.71Å; A96-Y99 PolarHBondContact O-N 2.97Å; F97-Y99 PolarHBondContact O-N 3.5Å; Y99-S102 PolarHBondContact O-N 2.86Å; Y99-A103 WeakPolarHBondContact O-CB 3.25Å; Y99-A103 PolarHBondContact O-N 3.37Å; Y99-L124 HydrophobicContact CD1-CD2 3.79Å; Y99-L124 HydrophobicContact CD1-CG 4.39Å; Y99-L124 HydrophobicContact CD2-CD2 4.04Å; Y99-L124 HydrophobicContact CD2-CG 3.96Å; Y99-L124 HydrophobicContact CE1-CD2 4.25Å; Y99-L124 HydrophobicContact CE2-CD2 4.48Å; Y99-L124 HydrophobicContact CE2-CG 4.08Å; Y99-L124 HydrophobicContact CG-CD2 3.69Å; Y99-L124 HydrophobicContact CG-CG 4.14Å; Y99-A125 HydrophobicContact CD2-CB 4.08Å; Y99-A125 HydrophobicContact CE2-CB 4.17Å; Y99-L160 HydrophobicContact CD1-CD1 4.48Å; Y99-L162 HydrophobicContact CD1-CD1 4.06Å; Y99-L162 HydrophobicContact CE1-CD1 3.64Å; Y99-L162 HydrophobicContact CE1-CD2 4.4Å
100	Y	95.4	Very high	93	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-40.6	175.3	-166.5	-86.8	0	0	0	111.9	A75 I79 A96 F97 R98 A103 L104 T109 V117 A118	A75-Y100 HydrophobicContact CB-CD1 3.46Å; A75-Y100 VanDerWaalsContact CB-CD1 3.46Å; A75-Y100 HydrophobicContact CB-CE1 3.08Å; A75-Y100 HydrophobicContact CB-CE2 4.4Å; A75-Y100 HydrophobicContact CB-CG 4.26Å; I79-Y100 HydrophobicContact CD1-CD2 4.34Å; I79-Y100 HydrophobicContact CD1-CG 4.15Å; A96-Y100 WeakPolarHBondContact O-CB 3.21Å; A96-Y100 PolarHBondContact O-N 3.1Å; F97-Y100 WeakPolarHBondContact O-CB 3.47Å; F97-Y100 PolarHBondContact O-N 3.46Å; F97-Y100 VanDerWaalsContact O-N 3.14Å; R98-Y100 VanDerWaalsContact C-N 3.26Å; R98-Y100 PolarHBondContact O-N 3.05Å; Y100-A103 PolarHBondContact O-N 3.41Å; Y100-L104 HydrophobicContact CD1-CD1 3.54Å; Y100-L104 HydrophobicContact CD1-CG 3.77Å; Y100-L104 HydrophobicContact CE1-CD1 3.43Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.43Å; Y100-L104 HydrophobicContact CE1-CD2 3.9Å; Y100-L104 HydrophobicContact CE1-CG 3.52Å; Y100-L104 WeakPolarHBondContact O-CB 3.21Å; Y100-L104 WeakPolarHBondContact O-CG 3.38Å; Y100-L104 PolarHBondContact O-N 3.01Å; Y100-T109 HydrophobicContact CE1-CG2 4.45Å; Y100-T109 HydrophobicContact CE2-CG2 4.34Å; Y100-V117 HydrophobicContact CD2-CG1 4.22Å; Y100-V117 HydrophobicContact CE2-CB 4.18Å; Y100-V117 HydrophobicContact CE2-CG1 3.97Å; Y100-A118 HydrophobicContact CD2-CB 4.32Å; Y100-A118 HydrophobicContact CE2-CB 4.1Å
101	Q	94.2	Very high	92.7	Very high	61 Å²	61	56.2 Å²	56.2	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174	-71.7	-179	-58.5	0	0	111.8	E72 F97 R98 A103 L104 F105	E72-Q101 PolarHBondContact OE2-NE2 2.92Å; F97-Q101 HydrophobicContact CD1-CG 4.29Å; F97-Q101 HydrophobicContact CE1-CG 3.75Å; F97-Q101 VanDerWaalsContact CE1-NE2 3.34Å; F97-Q101 VanDerWaalsContact CE1-OE1 3.3Å; F97-Q101 HydrophobicContact CE2-CG 4.24Å; F97-Q101 HydrophobicContact CZ-CG 3.74Å; F97-Q101 WeakPolarHBondContact O-CG 3.27Å; F97-Q101 PolarHBondContact O-N 3.05Å; R98-Q101 PolarHBondContact O-N 3.4Å; Q101-A103 VanDerWaalsContact C-N 3.32Å; Q101-A103 PolarHBondContact O-N 3.39Å; Q101-L104 WeakPolarHBondContact O-CB 3.47Å; Q101-L104 PolarHBondContact O-N 2.91Å; Q101-F105 WeakPolarHBondContact O-CB 3.45Å; Q101-F105 PolarHBondContact O-N 2.83Å
102	S	92.8	Very high	92.4	Very high	52 Å²	52	54.3 Å²	54.3	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-39.2	174.2	-54.3	0	0	0	0	112.1	R98 Y99 F105 R106	R98-S102 PolarHBondContact O-N 3.49Å; R98-S102 PolarHBondContact O-OG 3.06Å; Y99-S102 PolarHBondContact O-N 2.86Å; S102-F105 PolarHBondContact O-N 3.39Å; S102-R106 PolarHBondContact O-N 3.4Å; S102-R106 VanDerWaalsContact O-N 3.15Å
103	A	93.5	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-39.8	176.2	0	0	0	0	0	112.2	Y99 Y100 Q101 G107 L108 L156	Y99-A103 WeakPolarHBondContact O-CB 3.25Å; Y99-A103 PolarHBondContact O-N 3.37Å; Y100-A103 PolarHBondContact O-N 3.41Å; Q101-A103 VanDerWaalsContact C-N 3.32Å; Q101-A103 PolarHBondContact O-N 3.39Å; A103-G107 PolarHBondContact O-N 3.41Å; A103-L108 HydrophobicContact CB-CB 4.18Å; A103-L108 HydrophobicContact CB-CD1 4.44Å; A103-L108 WeakPolarHBondContact O-CB 3.33Å; A103-L108 PolarHBondContact O-N 2.87Å; A103-L156 HydrophobicContact CB-CD2 3.87Å
104	L	91.5	Very high	92	Very high	31 Å²	31	58.1 Å²	58.1	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-47.2	173.2	-80.6	171.7	0	0	0	111.5	T71 E72 Y100 Q101 R106 G107 T109	T71-L104 HydrophobicContact CG2-CD2 4.28Å; E72-L104 HydrophobicContact CG-CD1 3.64Å; Y100-L104 HydrophobicContact CD1-CD1 3.54Å; Y100-L104 HydrophobicContact CD1-CG 3.77Å; Y100-L104 HydrophobicContact CE1-CD1 3.43Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.43Å; Y100-L104 HydrophobicContact CE1-CD2 3.9Å; Y100-L104 HydrophobicContact CE1-CG 3.52Å; Y100-L104 WeakPolarHBondContact O-CB 3.21Å; Y100-L104 WeakPolarHBondContact O-CG 3.38Å; Y100-L104 PolarHBondContact O-N 3.01Å; Q101-L104 WeakPolarHBondContact O-CB 3.47Å; Q101-L104 PolarHBondContact O-N 2.91Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 2.89Å; L104-G107 PolarHBondContact O-N 3.38Å; L104-T109 HydrophobicContact CD2-CG2 3.56Å; L104-T109 WeakPolarHBondContact CD2-OG1 3.3Å; L104-T109 HydrophobicContact CG-CG2 3.9Å
105	F	89.3	Confident	91.8	Very high	156 Å²	156	60.7 Å²	60.7	68%	0.684	31%	0.306	S	S	*	.	H	α-helix	trans	-60.5	-38.7	-178.9	-176.3	-103.5	0	0	0	112	Q101 S102 G107	Q101-F105 WeakPolarHBondContact O-CB 3.45Å; Q101-F105 PolarHBondContact O-N 2.83Å; S102-F105 PolarHBondContact O-N 3.39Å; F105-G107 VanDerWaalsContact C-N 3.26Å; F105-G107 PolarHBondContact O-N 2.85Å
106	R	89.6	Confident	91.7	Very high	137 Å²	137	60.9 Å²	60.9	52%	0.517	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7	175.8	-69.7	176.1	171.4	141.9	-2.7	114.1	S102 L104 L108	S102-R106 PolarHBondContact O-N 3.4Å; S102-R106 VanDerWaalsContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 2.89Å; R106-L108 HydrophobicContact CB-CD1 4.36Å; R106-L108 HydrophobicContact CB-CD2 4.42Å; R106-L108 HydrophobicContact CB-CG 3.94Å; R106-L108 PolarHBondContact O-N 2.92Å
107	G	88.9	Confident	91.6	Very high	23 Å²	23	60.9 Å²	60.9	24%	0.237	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	15.7	179.3	0	0	0	0	0	115.3	A103 L104 F105 T109 R110	A103-G107 PolarHBondContact O-N 3.41Å; L104-G107 PolarHBondContact O-N 3.38Å; F105-G107 VanDerWaalsContact C-N 3.26Å; F105-G107 PolarHBondContact O-N 2.85Å; G107-T109 PolarHBondContact O-N 3.2Å; G107-R110 WeakPolarHBondContact O-CB 3.44Å; G107-R110 PolarHBondContact O-N 2.95Å
108	L	88.2	Confident	91.6	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.073	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.2	-176.8	-54.7	-174.6	0	0	0	113.9	A103 R106 L156 R159 L160	A103-L108 HydrophobicContact CB-CB 4.18Å; A103-L108 HydrophobicContact CB-CD1 4.44Å; A103-L108 WeakPolarHBondContact O-CB 3.33Å; A103-L108 PolarHBondContact O-N 2.87Å; R106-L108 HydrophobicContact CB-CD1 4.36Å; R106-L108 HydrophobicContact CB-CD2 4.42Å; R106-L108 HydrophobicContact CB-CG 3.94Å; R106-L108 PolarHBondContact O-N 2.92Å; L108-L156 HydrophobicContact CB-CD2 4.38Å; L108-L156 HydrophobicContact CD1-CD2 3.98Å; L108-R159 HydrophobicContact CD1-CB 3.85Å; L108-R159 HydrophobicContact CD2-CB 4.17Å; L108-R159 HydrophobicContact CD2-CG 4.39Å; L108-L160 HydrophobicContact CD1-CD2 4.03Å; L108-L160 HydrophobicContact CD1-CG 4.32Å
109	T	87.9	Confident	91.6	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-17	174.9	56.8	0	0	0	0	112.9	Y100 L104 G107 R112 V117	Y100-T109 HydrophobicContact CE1-CG2 4.45Å; Y100-T109 HydrophobicContact CE2-CG2 4.34Å; L104-T109 HydrophobicContact CD2-CG2 3.56Å; L104-T109 WeakPolarHBondContact CD2-OG1 3.3Å; L104-T109 HydrophobicContact CG-CG2 3.9Å; G107-T109 PolarHBondContact O-N 3.2Å; T109-R112 PolarHBondContact O-N 3.2Å; T109-V117 HydrophobicContact CG2-CG1 4Å
110	R	86.7	Confident	91.6	Very high	208 Å²	208	52 Å²	52	79%	0.785	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	136.5	-179	-68.9	-178.1	167.5	154.5	-3.8	110.4	G107 R112	G107-R110 WeakPolarHBondContact O-CB 3.44Å; G107-R110 PolarHBondContact O-N 2.95Å; R110-R112 PolarHBondContact O-N 3.16Å
111	G	86.4	Confident	91.6	Very high	92 Å²	92	51.8 Å²	51.8	95%	0.948	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	0.9	-179.5	0	0	0	0	0	115.7
112	R	88.8	Confident	91.7	Very high	85 Å²	85	48.9 Å²	48.9	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-117.9	151.3	179.7	-65.1	179.2	-176.9	162.9	0.2	111.2	T109 R110 A114 V117 D155	T109-R112 PolarHBondContact O-N 3.2Å; R110-R112 PolarHBondContact O-N 3.16Å; R112-A114 PolarHBondContact O-N 2.92Å; R112-V117 HydrophobicContact CB-CG2 3.7Å; R112-D155 IonicContact CZ-OD2 3.66Å; R112-D155 IonicContact NH1-OD2 3.17Å; R112-D155 PolarHBondContact NH1-OD2 2.87Å; R112-D155 VanDerWaalsContact NH2-CG 3.32Å; R112-D155 IonicContact NH2-OD1 2.8Å; R112-D155 IonicContact NH2-OD2 3.67Å; R112-D155 PolarHBondContact NH2-OD2 2.83Å
113	S	91.3	Very high	91.8	Very high	64 Å²	64	47.4 Å²	47.4	45%	0.448	25%	0.246	S	C	.	.			trans	-59.7	123.9	170.7	172.2	0	0	0	0	109.8	F115 T116 V117	S113-F115 PolarHBondContact O-N 3.43Å; S113-F115 VanDerWaalsContact O-N 3.15Å; S113-F115 PolarHBondContact OG-N 2.87Å; S113-T116 WeakPolarHBondContact CB-OG1 3.45Å; S113-T116 PolarHBondContact O-N 3.35Å; S113-V117 PolarHBondContact O-N 2.9Å; S113-V117 VanDerWaalsContact O-N 3.08Å
114	A	90.7	Very high	91.9	Very high	26 Å²	26	47.4 Å²	47.4	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-28.1	179	0	0	0	0	0	112.4	R112 A118	R112-A114 PolarHBondContact O-N 2.92Å; A114-A118 WeakPolarHBondContact O-CB 3.21Å; A114-A118 PolarHBondContact O-N 3.44Å
115	F	92.1	Very high	92.1	Very high	99 Å²	99	46 Å²	46	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-45.1	174	-78	-82.1	0	0	0	111.9	R78 S113 V117 A118 A119 V142	R78-F115 HydrophobicContact CG-CE1 4.11Å; R78-F115 HydrophobicContact CG-CZ 4.42Å; S113-F115 PolarHBondContact O-N 3.43Å; S113-F115 VanDerWaalsContact O-N 3.15Å; S113-F115 PolarHBondContact OG-N 2.87Å; F115-V117 VanDerWaalsContact C-N 3.34Å; F115-V117 PolarHBondContact O-N 3.24Å; F115-A118 PolarHBondContact O-N 3.29Å; F115-A119 WeakPolarHBondContact O-CB 3.45Å; F115-A119 PolarHBondContact O-N 3.48Å; F115-V142 HydrophobicContact CB-CG1 4.36Å
116	T	94.6	Very high	92.2	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-38.7	178.1	-47.9	0	0	0	0	111.7	S113 A119 G120 V144 V148 L149 V152	S113-T116 WeakPolarHBondContact CB-OG1 3.45Å; S113-T116 PolarHBondContact O-N 3.35Å; T116-A119 PolarHBondContact O-N 3.47Å; T116-G120 PolarHBondContact O-N 2.99Å; T116-V144 HydrophobicContact CG2-CG1 4.3Å; T116-V148 HydrophobicContact CG2-CG1 3.91Å; T116-L149 HydrophobicContact CG2-CD2 3.9Å; T116-V152 HydrophobicContact CG2-CB 4.35Å; T116-V152 HydrophobicContact CG2-CG2 3.75Å
117	V	95	Very high	92.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.6	-42.4	177.1	-176.6	0	0	0	0	111.2	Y100 T109 R112 S113 F115 A119 G120 C121	Y100-V117 HydrophobicContact CD2-CG1 4.22Å; Y100-V117 HydrophobicContact CE2-CB 4.18Å; Y100-V117 HydrophobicContact CE2-CG1 3.97Å; T109-V117 HydrophobicContact CG2-CG1 4Å; R112-V117 HydrophobicContact CB-CG2 3.7Å; S113-V117 PolarHBondContact O-N 2.9Å; S113-V117 VanDerWaalsContact O-N 3.08Å; F115-V117 VanDerWaalsContact C-N 3.34Å; F115-V117 PolarHBondContact O-N 3.24Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 2.94Å; V117-G120 PolarHBondContact O-N 3.31Å; V117-C121 PolarHBondContact O-N 3.4Å; V117-C121 PolarHBondContact O-SG 2.85Å
118	A	95.1	Very high	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-45.9	173.9	0	0	0	0	0	111.4	I79 Y100 A114 F115 C121 I122	I79-A118 HydrophobicContact CG1-CB 3.96Å; Y100-A118 HydrophobicContact CD2-CB 4.32Å; Y100-A118 HydrophobicContact CE2-CB 4.1Å; A114-A118 WeakPolarHBondContact O-CB 3.21Å; A114-A118 PolarHBondContact O-N 3.44Å; F115-A118 PolarHBondContact O-N 3.29Å; A118-C121 PolarHBondContact O-N 3.44Å; A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.35Å; A118-I122 PolarHBondContact O-N 2.84Å
119	A	95.9	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.2	-47.2	174.3	0	0	0	0	0	112	F115 T116 V117 C121 I122 Y123 L138 V142 L149	F115-A119 WeakPolarHBondContact O-CB 3.45Å; F115-A119 PolarHBondContact O-N 3.48Å; T116-A119 PolarHBondContact O-N 3.47Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 2.94Å; A119-C121 VanDerWaalsContact C-N 3.29Å; A119-C121 PolarHBondContact O-N 3.38Å; A119-I122 PolarHBondContact O-N 2.96Å; A119-I122 VanDerWaalsContact O-N 3.11Å; A119-Y123 PolarHBondContact O-N 3.07Å; A119-L138 HydrophobicContact CB-CD1 4.16Å; A119-L138 HydrophobicContact CB-CD2 4.04Å; A119-L138 HydrophobicContact CB-CG 4.14Å; A119-L138 VanDerWaalsContact O-CD2 3.24Å; A119-L138 WeakPolarHBondContact O-CD2 3.5Å; A119-V142 HydrophobicContact CB-CG1 4.38Å; A119-V142 HydrophobicContact CB-CG2 3.85Å; A119-L149 HydrophobicContact CB-CD2 3.52Å
120	G	95.4	Very high	92.9	Very high	1 Å²	1	47 Å²	47	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-41.2	175.2	0	0	0	0	0	113.1	T116 V117 L124	T116-G120 PolarHBondContact O-N 2.99Å; V117-G120 PolarHBondContact O-N 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.28Å; G120-L124 PolarHBondContact O-N 3.16Å
121	C	95.2	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-36.5	175.2	-66	0	0	0	0	113.1	V117 A118 A119 L124 A125	V117-C121 PolarHBondContact O-N 3.4Å; V117-C121 PolarHBondContact O-SG 2.85Å; A118-C121 PolarHBondContact O-N 3.44Å; A119-C121 VanDerWaalsContact C-N 3.29Å; A119-C121 PolarHBondContact O-N 3.38Å; C121-L124 WeakPolarHBondContact O-CB 3.2Å; C121-L124 PolarHBondContact O-N 2.81Å; C121-A125 WeakPolarHBondContact O-CB 3.18Å; C121-A125 PolarHBondContact O-N 3.21Å
122	I	96.4	Very high	93.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-46.9	174.2	-67.9	165.3	0	0	0	110.4	I79 I82 L88 A96 A118 A119 L124 A125 A126 L133 L138	I79-I122 HydrophobicContact CG1-CD1 4.45Å; I79-I122 HydrophobicContact CG1-CG1 4.49Å; I79-I122 HydrophobicContact CG2-CD1 4.25Å; I79-I122 HydrophobicContact CG2-CG1 4.07Å; I82-I122 HydrophobicContact CB-CD1 3.69Å; I82-I122 HydrophobicContact CD1-CD1 4.14Å; I82-I122 HydrophobicContact CG2-CD1 3.55Å; L88-I122 HydrophobicContact CD1-CG2 3.57Å; A96-I122 HydrophobicContact CB-CB 4.37Å; A96-I122 HydrophobicContact CB-CG1 3.83Å; A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.35Å; A118-I122 PolarHBondContact O-N 2.84Å; A119-I122 PolarHBondContact O-N 2.96Å; A119-I122 VanDerWaalsContact O-N 3.11Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.89Å; I122-A125 PolarHBondContact O-N 3.36Å; I122-A126 WeakPolarHBondContact O-CB 3.43Å; I122-A126 PolarHBondContact O-N 3.45Å; I122-L133 HydrophobicContact CG2-CD2 4.2Å; I122-L138 HydrophobicContact CG2-CD1 4.36Å
123	Y	95.7	Very high	93.3	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-39.6	177.2	-172.6	-114.9	0	0	0	111.6	A119 A125 A126 R127 L135 Y153	A119-Y123 PolarHBondContact O-N 3.07Å; Y123-A125 PolarHBondContact O-N 3.23Å; Y123-A126 PolarHBondContact O-N 3.44Å; Y123-R127 HydrophobicContact CD1-CG 4.24Å; Y123-R127 HydrophobicContact CD2-CG 4.44Å; Y123-R127 HydrophobicContact CE1-CG 3.96Å; Y123-R127 HydrophobicContact CE2-CG 4.16Å; Y123-R127 HydrophobicContact CG-CG 4.47Å; Y123-R127 WeakPolarHBondContact O-CB 3.35Å; Y123-R127 WeakPolarHBondContact O-CG 3.5Å; Y123-R127 PolarHBondContact O-N 3.42Å; Y123-R127 PolarHBondContact OH-NH1 3.26Å; Y123-R127 VanDerWaalsContact OH-NH1 3.15Å; Y123-L135 HydrophobicContact CD1-CD1 3.89Å; Y123-L135 HydrophobicContact CD2-CD1 4.05Å; Y123-L135 HydrophobicContact CE1-CD1 4.12Å; Y123-L135 HydrophobicContact CE2-CB 4.09Å; Y123-L135 HydrophobicContact CE2-CD1 4.29Å; Y123-L135 HydrophobicContact CG-CD1 3.85Å; Y123-Y153 HydrophobicContact CD1-CD1 4.26Å; Y123-Y153 AromaticContact CD1-CD2 3.47Å; Y123-Y153 HydrophobicContact CD1-CD2 3.47Å; Y123-Y153 VanDerWaalsContact CD1-CD2 3.47Å; Y123-Y153 AromaticContact CD1-CE2 3.82Å; Y123-Y153 HydrophobicContact CD1-CE2 3.82Å; Y123-Y153 AromaticContact CD1-CG 3.7Å; Y123-Y153 HydrophobicContact CD1-CG 3.7Å; Y123-Y153 HydrophobicContact CE1-CD1 4.07Å; Y123-Y153 AromaticContact CE1-CD2 3.98Å; Y123-Y153 HydrophobicContact CE1-CD2 3.98Å; Y123-Y153 HydrophobicContact CE1-CE1 4.12Å; Y123-Y153 HydrophobicContact CE1-CE2 4.01Å; Y123-Y153 AromaticContact CE1-CG 3.98Å; Y123-Y153 HydrophobicContact CE1-CG 3.98Å
124	L	95.2	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-47.7	173.8	177	59.7	0	0	0	112.1	Y99 G120 C121 I122 R127 Q128 Y153 L160 L162 I164	Y99-L124 HydrophobicContact CD1-CD2 3.79Å; Y99-L124 HydrophobicContact CD1-CG 4.39Å; Y99-L124 HydrophobicContact CD2-CD2 4.04Å; Y99-L124 HydrophobicContact CD2-CG 3.96Å; Y99-L124 HydrophobicContact CE1-CD2 4.25Å; Y99-L124 HydrophobicContact CE2-CD2 4.48Å; Y99-L124 HydrophobicContact CE2-CG 4.08Å; Y99-L124 HydrophobicContact CG-CD2 3.69Å; Y99-L124 HydrophobicContact CG-CG 4.14Å; G120-L124 WeakPolarHBondContact O-CB 3.28Å; G120-L124 PolarHBondContact O-N 3.16Å; C121-L124 WeakPolarHBondContact O-CB 3.2Å; C121-L124 PolarHBondContact O-N 2.81Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 2.89Å; L124-R127 PolarHBondContact O-N 3.22Å; L124-Q128 PolarHBondContact O-N 3.47Å; L124-Q128 VanDerWaalsContact O-N 3.12Å; L124-Y153 HydrophobicContact CB-CD2 4.44Å; L124-Y153 HydrophobicContact CD1-CE2 4.17Å; L124-L160 HydrophobicContact CD2-CD1 3.9Å; L124-L162 HydrophobicContact CD1-CD1 3.83Å; L124-L162 HydrophobicContact CD2-CD1 3.66Å; L124-L162 HydrophobicContact CG-CD1 4.17Å; L124-I164 HydrophobicContact CD1-CD1 3.11Å; L124-I164 HydrophobicContact CD1-CG1 3.96Å
125	A	95	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-44.8	175.8	0	0	0	0	0	112.6	T92 A96 Y99 C121 I122 Y123 R127 Q128 L129	T92-A125 HydrophobicContact CG2-CB 4.19Å; A96-A125 HydrophobicContact CB-CB 3.89Å; Y99-A125 HydrophobicContact CD2-CB 4.08Å; Y99-A125 HydrophobicContact CE2-CB 4.17Å; C121-A125 WeakPolarHBondContact O-CB 3.18Å; C121-A125 PolarHBondContact O-N 3.21Å; I122-A125 PolarHBondContact O-N 3.36Å; Y123-A125 PolarHBondContact O-N 3.23Å; A125-R127 VanDerWaalsContact C-N 3.27Å; A125-R127 PolarHBondContact O-N 2.96Å; A125-Q128 PolarHBondContact O-N 3.34Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 3.23Å
126	A	93.3	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-37.9	178.8	0	0	0	0	0	112	T92 I122 Y123 R130 V131 L133	T92-A126 HydrophobicContact CG2-CB 4.4Å; I122-A126 WeakPolarHBondContact O-CB 3.43Å; I122-A126 PolarHBondContact O-N 3.45Å; Y123-A126 PolarHBondContact O-N 3.44Å; A126-R130 PolarHBondContact O-N 3.41Å; A126-R130 VanDerWaalsContact O-N 3.07Å; A126-V131 HydrophobicContact CB-CB 4.21Å; A126-V131 PolarHBondContact O-N 2.89Å; A126-L133 HydrophobicContact CB-CB 4Å; A126-L133 HydrophobicContact CB-CD2 3.67Å; A126-L133 HydrophobicContact CB-CG 4.44Å
127	R	93.5	Very high	93.4	Very high	37 Å²	37	29.5 Å²	29.5	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-40.9	175.8	-70.5	-70.8	-60.8	-121.2	1.7	112.5	Y123 L124 A125 R130 Y153 I164 P165 M167	Y123-R127 HydrophobicContact CD1-CG 4.24Å; Y123-R127 HydrophobicContact CD2-CG 4.44Å; Y123-R127 HydrophobicContact CE1-CG 3.96Å; Y123-R127 HydrophobicContact CE2-CG 4.16Å; Y123-R127 HydrophobicContact CG-CG 4.47Å; Y123-R127 WeakPolarHBondContact O-CB 3.35Å; Y123-R127 WeakPolarHBondContact O-CG 3.5Å; Y123-R127 PolarHBondContact O-N 3.42Å; Y123-R127 PolarHBondContact OH-NH1 3.26Å; Y123-R127 VanDerWaalsContact OH-NH1 3.15Å; L124-R127 PolarHBondContact O-N 3.22Å; A125-R127 VanDerWaalsContact C-N 3.27Å; A125-R127 PolarHBondContact O-N 2.96Å; R127-R130 PolarHBondContact O-N 2.94Å; R127-Y153 HydrophobicContact CG-CE2 4.41Å; R127-I164 HydrophobicContact CB-CG2 3.81Å; R127-P165 PolarHBondContact NH2-O 3.46Å; R127-M167 VanDerWaalsContact CD-CG 3.46Å
128	Q	92.2	Very high	93.4	Very high	87 Å²	87	29.5 Å²	29.5	41%	0.407	14%	0.138	S	C	.	.	H	α-helix	trans	-66.6	-40.2	177.8	-170.7	64	19.2	0	0	111.9	L124 A125 R130	L124-Q128 PolarHBondContact O-N 3.47Å; L124-Q128 VanDerWaalsContact O-N 3.12Å; A125-Q128 PolarHBondContact O-N 3.34Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 PolarHBondContact O-N 3.28Å
129	L	91.9	Very high	93.4	Very high	80 Å²	80	30 Å²	30	42%	0.419	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	1.9	179.5	-63.5	175.9	0	0	0	113.6	D91 A125 V131	D91-L129 HydrophobicContact CB-CD1 4.5Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 3.23Å; L129-V131 VanDerWaalsContact C-N 3.26Å; L129-V131 HydrophobicContact CB-CG2 3.89Å; L129-V131 PolarHBondContact O-N 3.09Å
130	R	90.6	Very high	93.3	Very high	174 Å²	174	35 Å²	35	66%	0.657	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.6	-176.3	-57.1	-170.9	-176.8	129.2	-0.4	113.9	A126 R127 Q128	A126-R130 PolarHBondContact O-N 3.41Å; A126-R130 VanDerWaalsContact O-N 3.07Å; R127-R130 PolarHBondContact O-N 2.94Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 PolarHBondContact O-N 3.28Å
131	V	90.7	Very high	93.2	Very high	31 Å²	31	36.5 Å²	36.5	19%	0.188	18%	0.18	C	C	.	.			trans	-75.7	146.7	175.4	-178.6	0	0	0	0	110.2	L88 A126 L129 L133 M167	L88-V131 HydrophobicContact CD2-CG1 3.92Å; A126-V131 HydrophobicContact CB-CB 4.21Å; A126-V131 PolarHBondContact O-N 2.89Å; L129-V131 VanDerWaalsContact C-N 3.26Å; L129-V131 HydrophobicContact CB-CG2 3.89Å; L129-V131 PolarHBondContact O-N 3.09Å; V131-L133 PolarHBondContact O-N 2.98Å; V131-M167 WeakPolarHBondContact O-CE 3.5Å
132	N	88.3	Confident	93	Very high	76 Å²	76	37.9 Å²	37.9	41%	0.406	19%	0.189	S	C	.	.			trans	-74.5	49.6	179.5	62.6	-17.5	0	0	0	113.9	R175	N132-R175 PolarHBondContact O-NH1 3.25Å
133	L	91.9	Very high	92.9	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	22%	0.223	C	C	.	.			trans	-103.7	124.1	179.4	179.7	64.7	0	0	0	111.5	L86 L88 I122 A126 V131 D137	L86-L133 HydrophobicContact CD1-CD1 3.99Å; L86-L133 HydrophobicContact CD2-CD1 4.33Å; L88-L133 HydrophobicContact CD1-CD2 3.98Å; L88-L133 HydrophobicContact CD2-CB 4.46Å; L88-L133 HydrophobicContact CD2-CD1 4.5Å; L88-L133 HydrophobicContact CD2-CD2 4.41Å; I122-L133 HydrophobicContact CG2-CD2 4.2Å; A126-L133 HydrophobicContact CB-CB 4Å; A126-L133 HydrophobicContact CB-CD2 3.67Å; A126-L133 HydrophobicContact CB-CG 4.44Å; V131-L133 PolarHBondContact O-N 2.98Å; L133-D137 HydrophobicContact CD1-CB 4.22Å
134	M	92.5	Very high	92.8	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.054	23%	0.228	C	C	.	.			trans	-91.1	148.5	171.8	-54.9	174.6	61.5	0	0	110.7	L136 D137 L138 Y172 F176 S212 A239	M134-L136 PolarHBondContact O-N 3.37Å; M134-D137 VanDerWaalsContact CB-OD2 3.25Å; M134-D137 WeakPolarHBondContact CB-OD2 3.3Å; M134-D137 PolarHBondContact N-OD2 2.99Å; M134-D137 PolarHBondContact O-N 3.18Å; M134-L138 PolarHBondContact O-N 3.02Å; M134-Y172 HydrophobicContact CG-CD1 3.96Å; M134-Y172 HydrophobicContact CG-CE1 3.48Å; M134-Y172 VanDerWaalsContact CG-CE1 3.48Å; M134-Y172 HydrophobicContact SD-CD1 4.49Å; M134-F176 HydrophobicContact CE-CZ 4.4Å; M134-F176 HydrophobicContact SD-CE1 3.88Å; M134-F176 HydrophobicContact SD-CZ 3.7Å; M134-S212 WeakPolarHBondContact CE-OG 3.35Å; M134-A239 WeakPolarHBondContact CE-O 3.41Å
135	L	92.9	Very high	92.8	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-26.4	175.1	-167.9	64.1	0	0	0	112.4	Y123 L138 S139 V146 L149	Y123-L135 HydrophobicContact CD1-CD1 3.89Å; Y123-L135 HydrophobicContact CD2-CD1 4.05Å; Y123-L135 HydrophobicContact CE1-CD1 4.12Å; Y123-L135 HydrophobicContact CE2-CB 4.09Å; Y123-L135 HydrophobicContact CE2-CD1 4.29Å; Y123-L135 HydrophobicContact CG-CD1 3.85Å; L135-L138 HydrophobicContact CD1-CD2 4.4Å; L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-V146 HydrophobicContact CD2-CG1 3.76Å; L135-V146 HydrophobicContact CG-CG1 4.02Å; L135-L149 HydrophobicContact CD1-CB 3.9Å; L135-L149 HydrophobicContact CG-CB 4.39Å
136	L	92.8	Very high	92.7	Very high	46 Å²	46	48 Å²	48	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-42	176.6	-78.9	77.3	0	0	0	111.6	M134 L138 S139 D140 V146 R240	M134-L136 PolarHBondContact O-N 3.37Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 PolarHBondContact O-N 3.01Å; L136-S139 WeakPolarHBondContact O-CA 3.39Å; L136-S139 VanDerWaalsContact O-CB 3.27Å; L136-S139 WeakPolarHBondContact O-CB 3.43Å; L136-S139 PolarHBondContact O-N 3.15Å; L136-S139 VanDerWaalsContact O-N 3.09Å; L136-D140 PolarHBondContact O-N 3.16Å; L136-V146 HydrophobicContact CD1-CG1 4.33Å; L136-V146 HydrophobicContact CG-CG2 4.15Å; L136-R240 HydrophobicContact CD2-CB 3.57Å; L136-R240 HydrophobicContact CD2-CG 4.42Å
137	D	93	Very high	92.8	Very high	19 Å²	19	55.6 Å²	55.6	10%	0.102	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-37.9	178.5	-48.8	-52.6	0	0	0	111.4	L86 L133 M134 S139 D140 A141 R175	L86-D137 HydrophobicContact CD2-CB 4.12Å; L133-D137 HydrophobicContact CD1-CB 4.22Å; M134-D137 VanDerWaalsContact CB-OD2 3.25Å; M134-D137 WeakPolarHBondContact CB-OD2 3.3Å; M134-D137 PolarHBondContact N-OD2 2.99Å; M134-D137 PolarHBondContact O-N 3.18Å; D137-S139 VanDerWaalsContact C-N 3.33Å; D137-D140 PolarHBondContact O-N 3.3Å; D137-A141 WeakPolarHBondContact O-CB 3.49Å; D137-A141 PolarHBondContact O-N 2.99Å; D137-R175 IonicContact OD1-CZ 3.51Å; D137-R175 IonicContact OD1-NH1 2.65Å; D137-R175 IonicContact OD1-NH2 3.81Å; D137-R175 PolarHBondContact OD1-NH2 3.44Å; D137-R175 IonicContact OD2-CZ 2.81Å; D137-R175 VanDerWaalsContact OD2-CZ 3.31Å; D137-R175 IonicContact OD2-NH1 2.69Å; D137-R175 PolarHBondContact OD2-NH1 3.01Å; D137-R175 IonicContact OD2-NH2 2.71Å; D137-R175 PolarHBondContact OD2-NH2 3.15Å; D137-R175 VanDerWaalsContact OD2-NH2 3.12Å
138	L	94.1	Very high	92.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-35.9	175	-176.7	67.5	0	0	0	111.9	I82 L86 A119 I122 M134 L135 L136 A141 V142 L149	I82-L138 HydrophobicContact CG2-CD1 3.83Å; L86-L138 HydrophobicContact CD1-CB 4.48Å; L86-L138 HydrophobicContact CD1-CD1 3.63Å; A119-L138 HydrophobicContact CB-CD1 4.16Å; A119-L138 HydrophobicContact CB-CD2 4.04Å; A119-L138 HydrophobicContact CB-CG 4.14Å; A119-L138 VanDerWaalsContact O-CD2 3.24Å; A119-L138 WeakPolarHBondContact O-CD2 3.5Å; I122-L138 HydrophobicContact CG2-CD1 4.36Å; M134-L138 PolarHBondContact O-N 3.02Å; L135-L138 HydrophobicContact CD1-CD2 4.4Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 PolarHBondContact O-N 3.01Å; L138-A141 PolarHBondContact O-N 2.9Å; L138-V142 HydrophobicContact CD1-CG2 4.02Å; L138-V142 HydrophobicContact CG-CG2 4.43Å; L138-V142 WeakPolarHBondContact O-CB 3.48Å; L138-V142 VanDerWaalsContact O-CG2 3.25Å; L138-V142 WeakPolarHBondContact O-CG2 3.43Å; L138-V142 PolarHBondContact O-N 3.1Å; L138-L149 HydrophobicContact CG-CD1 4.43Å
139	S	94.6	Very high	92.9	Very high	11 Å²	11	52.1 Å²	52.1	8%	0.077	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-44.2	173.7	-176.1	0	0	0	0	111.2	L135 L136 D137 G143 V144 V146	L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 3.2Å; L136-S139 WeakPolarHBondContact O-CA 3.39Å; L136-S139 VanDerWaalsContact O-CB 3.27Å; L136-S139 WeakPolarHBondContact O-CB 3.43Å; L136-S139 PolarHBondContact O-N 3.15Å; L136-S139 VanDerWaalsContact O-N 3.09Å; D137-S139 VanDerWaalsContact C-N 3.33Å; S139-G143 WeakPolarHBondContact O-CA 3.36Å; S139-G143 PolarHBondContact O-N 3.01Å; S139-V144 WeakPolarHBondContact CB-O 3.48Å; S139-V144 PolarHBondContact O-N 3.4Å; S139-V144 PolarHBondContact OG-O 3.34Å; S139-V146 VanDerWaalsContact OG-CG2 3.3Å; S139-V146 WeakPolarHBondContact OG-CG2 3.46Å; S139-V146 PolarHBondContact OG-N 3.07Å
140	D	93.9	Very high	93	Very high	104 Å²	104	49.5 Å²	49.5	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-66.1	-43	177.5	-68	-13.7	0	0	0	111.7	L136 D137 V142	L136-D140 PolarHBondContact O-N 3.16Å; D137-D140 PolarHBondContact O-N 3.3Å; D140-V142 PolarHBondContact O-N 3.47Å
141	A	93.1	Very high	93.2	Very high	32 Å²	32	49.3 Å²	49.3	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-37	179.2	0	0	0	0	0	113.2	L86 D137 L138	L86-A141 HydrophobicContact CD1-CB 4.32Å; L86-A141 HydrophobicContact CD2-CB 3.85Å; L86-A141 HydrophobicContact CG-CB 4.02Å; D137-A141 WeakPolarHBondContact O-CB 3.49Å; D137-A141 PolarHBondContact O-N 2.99Å; L138-A141 PolarHBondContact O-N 2.9Å
142	V	92.4	Very high	93.3	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-93	-16.9	-176.7	-174.4	0	0	0	0	112	I82 F115 A119 L138 D140 V144	I82-V142 HydrophobicContact CD1-CG2 4.07Å; I82-V142 HydrophobicContact CG1-CG2 4.37Å; I82-V142 HydrophobicContact CG2-CG2 4.09Å; F115-V142 HydrophobicContact CB-CG1 4.36Å; A119-V142 HydrophobicContact CB-CG1 4.38Å; A119-V142 HydrophobicContact CB-CG2 3.85Å; L138-V142 HydrophobicContact CD1-CG2 4.02Å; L138-V142 HydrophobicContact CG-CG2 4.43Å; L138-V142 WeakPolarHBondContact O-CB 3.48Å; L138-V142 VanDerWaalsContact O-CG2 3.25Å; L138-V142 WeakPolarHBondContact O-CG2 3.43Å; L138-V142 PolarHBondContact O-N 3.1Å; D140-V142 PolarHBondContact O-N 3.47Å; V142-V144 VanDerWaalsContact C-N 3.33Å; V142-V144 HydrophobicContact CG1-CB 4.39Å; V142-V144 HydrophobicContact CG1-CG2 3.83Å
143	G	93.7	Very high	93.6	Very high	69 Å²	69	46 Å²	46	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	28	-176.4	0	0	0	0	0	113.6	S139	S139-G143 WeakPolarHBondContact O-CA 3.36Å; S139-G143 PolarHBondContact O-N 3.01Å
144	V	93.4	Very high	93.7	Very high	33 Å²	33	48.1 Å²	48.1	20%	0.2	27%	0.271	C	S	.	.			trans	-118.3	139.4	-178.9	174.9	0	0	0	0	109.5	T116 S139 V142 V146 V148 L149	T116-V144 HydrophobicContact CG2-CG1 4.3Å; S139-V144 WeakPolarHBondContact CB-O 3.48Å; S139-V144 PolarHBondContact O-N 3.4Å; S139-V144 PolarHBondContact OG-O 3.34Å; V142-V144 VanDerWaalsContact C-N 3.33Å; V142-V144 HydrophobicContact CG1-CB 4.39Å; V142-V144 HydrophobicContact CG1-CG2 3.83Å; V144-V146 PolarHBondContact O-N 3.45Å; V144-V148 HydrophobicContact CG1-CB 4.04Å; V144-V148 HydrophobicContact CG1-CG1 4.22Å; V144-L149 HydrophobicContact CG1-CG 4.24Å
145	N	94.4	Very high	93.8	Very high	93 Å²	93	49.1 Å²	49.1	50%	0.497	28%	0.277	S	S	.	.			trans	-54.9	132.5	179.8	-172.3	-39.7	0	0	0	113.1	Y147 V148 L149	N145-Y147 PolarHBondContact O-N 2.86Å; N145-Y147 VanDerWaalsContact O-N 3.11Å; N145-Y147 WeakPolarHBondContact OD1-CD2 3.42Å; N145-Y147 PolarHBondContact OD1-N 3.35Å; N145-V148 HydrophobicContact CB-CG2 4.28Å; N145-V148 WeakPolarHBondContact O-CB 3.38Å; N145-V148 PolarHBondContact O-N 2.94Å; N145-L149 PolarHBondContact O-N 3.14Å
146	V	93.3	Very high	93.8	Very high	38 Å²	38	47.8 Å²	47.8	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-47	-38.9	177	-174.1	0	0	0	0	113.1	L135 L136 S139 V144 L149 G150	L135-V146 HydrophobicContact CD2-CG1 3.76Å; L135-V146 HydrophobicContact CG-CG1 4.02Å; L136-V146 HydrophobicContact CD1-CG1 4.33Å; L136-V146 HydrophobicContact CG-CG2 4.15Å; S139-V146 VanDerWaalsContact OG-CG2 3.3Å; S139-V146 WeakPolarHBondContact OG-CG2 3.46Å; S139-V146 PolarHBondContact OG-N 3.07Å; V144-V146 PolarHBondContact O-N 3.45Å; V146-L149 PolarHBondContact O-N 3.15Å; V146-G150 PolarHBondContact O-N 3.04Å
147	Y	94.9	Very high	93.9	Very high	161 Å²	161	49.1 Å²	49.1	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-67.7	-36.8	-179	-61.2	-66.4	0	0	0	112.6	N145 G150 R151	N145-Y147 PolarHBondContact O-N 2.86Å; N145-Y147 VanDerWaalsContact O-N 3.11Å; N145-Y147 WeakPolarHBondContact OD1-CD2 3.42Å; N145-Y147 PolarHBondContact OD1-N 3.35Å; Y147-G150 PolarHBondContact O-N 3.18Å; Y147-R151 WeakPolarHBondContact O-CG 3.39Å; Y147-R151 PolarHBondContact O-N 3.49Å
148	V	94.9	Very high	93.9	Very high	51 Å²	51	56 Å²	56	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-68.4	-44.1	177.3	-177.9	0	0	0	0	109.6	T116 V144 N145 G150 R151 V152	T116-V148 HydrophobicContact CG2-CG1 3.91Å; V144-V148 HydrophobicContact CG1-CB 4.04Å; V144-V148 HydrophobicContact CG1-CG1 4.22Å; N145-V148 HydrophobicContact CB-CG2 4.28Å; N145-V148 WeakPolarHBondContact O-CB 3.38Å; N145-V148 PolarHBondContact O-N 2.94Å; V148-G150 VanDerWaalsContact C-N 3.33Å; V148-G150 PolarHBondContact O-N 3.09Å; V148-R151 PolarHBondContact O-N 2.86Å; V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 2.74Å
149	L	93.7	Very high	93.8	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-41.1	174.8	-68.7	173.7	0	0	0	111.9	T116 A119 L135 L138 V144 N145 V146 R151 V152 Y153	T116-L149 HydrophobicContact CG2-CD2 3.9Å; A119-L149 HydrophobicContact CB-CD2 3.52Å; L135-L149 HydrophobicContact CD1-CB 3.9Å; L135-L149 HydrophobicContact CG-CB 4.39Å; L138-L149 HydrophobicContact CG-CD1 4.43Å; V144-L149 HydrophobicContact CG1-CG 4.24Å; N145-L149 PolarHBondContact O-N 3.14Å; V146-L149 PolarHBondContact O-N 3.15Å; L149-R151 PolarHBondContact O-N 3Å; L149-V152 PolarHBondContact O-N 2.86Å; L149-Y153 WeakPolarHBondContact O-CB 3.44Å; L149-Y153 PolarHBondContact O-N 3.28Å
150	G	93.4	Very high	93.6	Very high	24 Å²	24	62.4 Å²	62.4	25%	0.247	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-42.5	175.4	0	0	0	0	0	112.8	V146 Y147 V148 A154	V146-G150 PolarHBondContact O-N 3.04Å; Y147-G150 PolarHBondContact O-N 3.18Å; V148-G150 VanDerWaalsContact C-N 3.33Å; V148-G150 PolarHBondContact O-N 3.09Å; G150-A154 WeakPolarHBondContact O-CB 3.25Å; G150-A154 PolarHBondContact O-N 3.03Å
151	R	95	Very high	93.5	Very high	170 Å²	170	64.3 Å²	64.3	64%	0.642	34%	0.336	S	S	*	.	H	α-helix	trans	-65.6	-44.6	175.1	-73.3	-160.9	-63.6	-104.3	6.3	112.3	Y147 V148 L149 A154 D155	Y147-R151 WeakPolarHBondContact O-CG 3.39Å; Y147-R151 PolarHBondContact O-N 3.49Å; V148-R151 PolarHBondContact O-N 2.86Å; L149-R151 PolarHBondContact O-N 3Å; R151-A154 PolarHBondContact O-N 3.24Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 3.21Å
152	V	94.1	Very high	93.4	Very high	11 Å²	11	65 Å²	65	7%	0.067	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.9	172.4	0	0	0	0	110.9	T116 V148 L149 D155 L156	T116-V152 HydrophobicContact CG2-CB 4.35Å; T116-V152 HydrophobicContact CG2-CG2 3.75Å; V148-V152 WeakPolarHBondContact O-CG2 3.41Å; V148-V152 PolarHBondContact O-N 2.74Å; L149-V152 PolarHBondContact O-N 2.86Å; V152-D155 PolarHBondContact O-N 3.49Å; V152-L156 HydrophobicContact CG1-CD1 3.86Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.49Å; V152-L156 VanDerWaalsContact O-CG 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.27Å; V152-L156 PolarHBondContact O-N 3.12Å
153	Y	94.4	Very high	93.3	Very high	27 Å²	27	68.4 Å²	68.4	11%	0.106	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-46.5	173.8	166.3	-103.1	0	0	0	112.4	Y123 L124 R127 L149 D155 L156 K157 I164	Y123-Y153 HydrophobicContact CD1-CD1 4.26Å; Y123-Y153 AromaticContact CD1-CD2 3.47Å; Y123-Y153 HydrophobicContact CD1-CD2 3.47Å; Y123-Y153 VanDerWaalsContact CD1-CD2 3.47Å; Y123-Y153 AromaticContact CD1-CE2 3.82Å; Y123-Y153 HydrophobicContact CD1-CE2 3.82Å; Y123-Y153 AromaticContact CD1-CG 3.7Å; Y123-Y153 HydrophobicContact CD1-CG 3.7Å; Y123-Y153 HydrophobicContact CE1-CD1 4.07Å; Y123-Y153 AromaticContact CE1-CD2 3.98Å; Y123-Y153 HydrophobicContact CE1-CD2 3.98Å; Y123-Y153 HydrophobicContact CE1-CE1 4.12Å; Y123-Y153 HydrophobicContact CE1-CE2 4.01Å; Y123-Y153 AromaticContact CE1-CG 3.98Å; Y123-Y153 HydrophobicContact CE1-CG 3.98Å; L124-Y153 HydrophobicContact CB-CD2 4.44Å; L124-Y153 HydrophobicContact CD1-CE2 4.17Å; R127-Y153 HydrophobicContact CG-CE2 4.41Å; L149-Y153 WeakPolarHBondContact O-CB 3.44Å; L149-Y153 PolarHBondContact O-N 3.28Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-D155 PolarHBondContact O-N 3.02Å; Y153-L156 PolarHBondContact O-N 2.84Å; Y153-K157 WeakPolarHBondContact O-CB 3.44Å; Y153-K157 PolarHBondContact O-N 3.38Å; Y153-I164 HydrophobicContact CE2-CD1 3.76Å; Y153-I164 WeakPolarHBondContact OH-CD1 3.38Å
154	A	93.8	Very high	93.1	Very high	53 Å²	53	65.6 Å²	65.6	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-41.1	179.1	0	0	0	0	0	111.8	G150 R151 K157 K158	G150-A154 WeakPolarHBondContact O-CB 3.25Å; G150-A154 PolarHBondContact O-N 3.03Å; R151-A154 PolarHBondContact O-N 3.24Å; A154-K157 PolarHBondContact O-N 3.38Å; A154-K158 WeakPolarHBondContact O-CB 3.44Å; A154-K158 PolarHBondContact O-N 2.92Å
155	D	93.6	Very high	92.8	Very high	32 Å²	32	66.5 Å²	66.5	17%	0.171	34%	0.341	C	S	.	.	H	α-helix	trans	-68.3	-41.9	177.3	-172.4	67.9	0	0	0	112.2	R112 R151 V152 Y153 K158 R159	R112-D155 IonicContact CZ-OD2 3.66Å; R112-D155 IonicContact NH1-OD2 3.17Å; R112-D155 PolarHBondContact NH1-OD2 2.87Å; R112-D155 VanDerWaalsContact NH2-CG 3.32Å; R112-D155 IonicContact NH2-OD1 2.8Å; R112-D155 IonicContact NH2-OD2 3.67Å; R112-D155 PolarHBondContact NH2-OD2 2.83Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 3.21Å; V152-D155 PolarHBondContact O-N 3.49Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-D155 PolarHBondContact O-N 3.02Å; D155-K158 PolarHBondContact O-N 3.1Å; D155-R159 VanDerWaalsContact CG-NE 3.31Å; D155-R159 WeakPolarHBondContact O-CB 3.23Å; D155-R159 WeakPolarHBondContact O-CG 3.41Å; D155-R159 PolarHBondContact O-N 3.18Å; D155-R159 IonicContact OD1-CZ 3.69Å; D155-R159 IonicContact OD1-NE 2.92Å; D155-R159 PolarHBondContact OD1-NE 3.26Å; D155-R159 IonicContact OD1-NH2 3.57Å; D155-R159 WeakPolarHBondContact OD2-CD 3.33Å; D155-R159 IonicContact OD2-NE 2.76Å; D155-R159 PolarHBondContact OD2-NE 2.69Å; D155-R159 VanDerWaalsContact OD2-NE 3.15Å
156	L	93.9	Very high	92.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-47.9	173	-74.3	170.9	0	0	0	111.1	A103 L108 V152 Y153 K158 R159 L160	A103-L156 HydrophobicContact CB-CD2 3.87Å; L108-L156 HydrophobicContact CB-CD2 4.38Å; L108-L156 HydrophobicContact CD1-CD2 3.98Å; V152-L156 HydrophobicContact CG1-CD1 3.86Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.49Å; V152-L156 VanDerWaalsContact O-CG 3.24Å; V152-L156 WeakPolarHBondContact O-CG 3.27Å; V152-L156 PolarHBondContact O-N 3.12Å; Y153-L156 PolarHBondContact O-N 2.84Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.11Å; L156-R159 PolarHBondContact O-N 3.41Å; L156-L160 HydrophobicContact CB-CD1 4.44Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 WeakPolarHBondContact O-CB 3.46Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.78Å
157	K	93.7	Very high	91.9	Very high	74 Å²	74	69.5 Å²	69.5	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-56	-47.3	176.9	-178.8	-175	-177.9	176.7	0	111.1	Y153 A154 N161 L162 I164	Y153-K157 WeakPolarHBondContact O-CB 3.44Å; Y153-K157 PolarHBondContact O-N 3.38Å; A154-K157 PolarHBondContact O-N 3.38Å; K157-N161 PolarHBondContact O-N 3.29Å; K157-L162 VanDerWaalsContact CE-O 3.24Å; K157-L162 WeakPolarHBondContact CE-O 3.32Å; K157-L162 WeakPolarHBondContact CG-O 2.88Å; K157-L162 PolarHBondContact O-N 2.75Å; K157-L162 VanDerWaalsContact O-N 3.09Å; K157-I164 HydrophobicContact CB-CD1 4.08Å; K157-I164 HydrophobicContact CD-CD1 3.81Å; K157-I164 HydrophobicContact CD-CG1 4.43Å; K157-I164 HydrophobicContact CG-CD1 3.66Å; K157-I164 HydrophobicContact CG-CG1 4.32Å
158	K	93.6	Very high	91.6	Very high	163 Å²	163	64.3 Å²	64.3	71%	0.709	33%	0.333	S	S	*	.	H	α-helix	trans	-66.9	-50.6	-178.2	-174.6	178.3	179.4	-179.3	0	111.9	A154 D155 L156 N161	A154-K158 WeakPolarHBondContact O-CB 3.44Å; A154-K158 PolarHBondContact O-N 2.92Å; D155-K158 PolarHBondContact O-N 3.1Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.11Å; K158-N161 PolarHBondContact O-N 3.45Å; K158-N161 PolarHBondContact O-OD1 3.28Å
159	R	92	Very high	91.4	Very high	136 Å²	136	62.4 Å²	62.4	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-76.3	-22.8	-175.1	-65.5	-178.8	-176.6	-115.6	1.9	113.9	L108 D155 L156 N161	L108-R159 HydrophobicContact CD1-CB 3.85Å; L108-R159 HydrophobicContact CD2-CB 4.17Å; L108-R159 HydrophobicContact CD2-CG 4.39Å; D155-R159 VanDerWaalsContact CG-NE 3.31Å; D155-R159 WeakPolarHBondContact O-CB 3.23Å; D155-R159 WeakPolarHBondContact O-CG 3.41Å; D155-R159 PolarHBondContact O-N 3.18Å; D155-R159 IonicContact OD1-CZ 3.69Å; D155-R159 IonicContact OD1-NE 2.92Å; D155-R159 PolarHBondContact OD1-NE 3.26Å; D155-R159 IonicContact OD1-NH2 3.57Å; D155-R159 WeakPolarHBondContact OD2-CD 3.33Å; D155-R159 IonicContact OD2-NE 2.76Å; D155-R159 PolarHBondContact OD2-NE 2.69Å; D155-R159 VanDerWaalsContact OD2-NE 3.15Å; L156-R159 PolarHBondContact O-N 3.41Å; R159-N161 VanDerWaalsContact C-N 3.33Å
160	L	91.4	Very high	91.3	Very high	10 Å²	10	63 Å²	63	5%	0.052	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2	172.2	-59.5	176.3	0	0	0	112.6	Y99 L108 L124 L156 L162	Y99-L160 HydrophobicContact CD1-CD1 4.48Å; L108-L160 HydrophobicContact CD1-CD2 4.03Å; L108-L160 HydrophobicContact CD1-CG 4.32Å; L124-L160 HydrophobicContact CD2-CD1 3.9Å; L156-L160 HydrophobicContact CB-CD1 4.44Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 WeakPolarHBondContact O-CB 3.46Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.78Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 HydrophobicContact CB-CD1 3.77Å; L160-L162 HydrophobicContact CB-CG 3.72Å; L160-L162 HydrophobicContact CD1-CD1 3.95Å; L160-L162 PolarHBondContact O-N 3.47Å
161	N	91.2	Very high	91.2	Very high	144 Å²	144	63.7 Å²	63.7	77%	0.77	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	44.2	-177.6	-63.4	-28.2	0	0	0	113.3	K157 K158 R159	K157-N161 PolarHBondContact O-N 3.29Å; K158-N161 PolarHBondContact O-N 3.45Å; K158-N161 PolarHBondContact O-OD1 3.28Å; R159-N161 VanDerWaalsContact C-N 3.33Å
162	L	91.4	Very high	91.1	Very high	46 Å²	46	56 Å²	56	24%	0.241	30%	0.295	C	S	.	.			trans	-94.8	119.9	-175.4	-62.3	174.3	0	0	0	112.2	Y99 L124 K157 L160 I164	Y99-L162 HydrophobicContact CD1-CD1 4.06Å; Y99-L162 HydrophobicContact CE1-CD1 3.64Å; Y99-L162 HydrophobicContact CE1-CD2 4.4Å; L124-L162 HydrophobicContact CD1-CD1 3.83Å; L124-L162 HydrophobicContact CD2-CD1 3.66Å; L124-L162 HydrophobicContact CG-CD1 4.17Å; K157-L162 VanDerWaalsContact CE-O 3.24Å; K157-L162 WeakPolarHBondContact CE-O 3.32Å; K157-L162 WeakPolarHBondContact CG-O 2.88Å; K157-L162 PolarHBondContact O-N 2.75Å; K157-L162 VanDerWaalsContact O-N 3.09Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 HydrophobicContact CB-CD1 3.77Å; L160-L162 HydrophobicContact CB-CG 3.72Å; L160-L162 HydrophobicContact CD1-CD1 3.95Å; L160-L162 PolarHBondContact O-N 3.47Å; L162-I164 HydrophobicContact CB-CD1 4.5Å; L162-I164 HydrophobicContact CB-CG1 4.08Å; L162-I164 PolarHBondContact O-N 3.07Å; L162-I164 VanDerWaalsContact O-N 3.07Å
163	A	90.4	Very high	91.1	Very high	100 Å²	100	55.5 Å²	55.5	83%	0.826	29%	0.292	S	S	*	.			trans	-80.9	78.6	171.7	0	0	0	0	0	111
164	I	89.2	Confident	91	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.056	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.5	126.2	179.4	-52.1	163.2	0	0	0	109.7	L124 R127 Y153 K157 L162	L124-I164 HydrophobicContact CD1-CD1 3.11Å; L124-I164 HydrophobicContact CD1-CG1 3.96Å; R127-I164 HydrophobicContact CB-CG2 3.81Å; Y153-I164 HydrophobicContact CE2-CD1 3.76Å; Y153-I164 WeakPolarHBondContact OH-CD1 3.38Å; K157-I164 HydrophobicContact CB-CD1 4.08Å; K157-I164 HydrophobicContact CD-CD1 3.81Å; K157-I164 HydrophobicContact CD-CG1 4.43Å; K157-I164 HydrophobicContact CG-CD1 3.66Å; K157-I164 HydrophobicContact CG-CG1 4.32Å; L162-I164 HydrophobicContact CB-CD1 4.5Å; L162-I164 HydrophobicContact CB-CG1 4.08Å; L162-I164 PolarHBondContact O-N 3.07Å; L162-I164 VanDerWaalsContact O-N 3.07Å
165	P	86.2	Confident	90.9	Very high	52 Å²	52	58.8 Å²	58.8	34%	0.338	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65.3	157.7	177.3	26.9	-33.7	0	0	0	112.6	R127	R127-P165 PolarHBondContact NH2-O 3.46Å
166	E	83.7	Confident	90.9	Very high	174 Å²	174	57.3 Å²	57.3	81%	0.813	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-65.8	149.5	170.8	-60.7	-169.4	168.1	0	0	110.7
167	M	85.7	Confident	90.9	Very high	20 Å²	20	57.3 Å²	57.3	10%	0.099	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-86.5	128.4	179.2	-70.3	-67.5	-94.9	0	0	109.4	R127 V131 I171	R127-M167 VanDerWaalsContact CD-CG 3.46Å; V131-M167 WeakPolarHBondContact O-CE 3.5Å; M167-I171 HydrophobicContact CB-CD1 4.31Å; M167-I171 HydrophobicContact CE-CD1 3.13Å; M167-I171 HydrophobicContact SD-CD1 4.12Å
168	D	89	Confident	90.9	Very high	52 Å²	52	57.5 Å²	57.5	28%	0.278	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-70.5	125.6	169.9	-157.9	-48.1	0	0	0	109.2	C170 I171 K201	D168-C170 HydrophobicContact CB-CB 4.4Å; D168-C170 PolarHBondContact O-N 3.22Å; D168-C170 WeakPolarHBondContact OD1-CB 3.43Å; D168-C170 PolarHBondContact OD1-N 3.22Å; D168-C170 VanDerWaalsContact OD1-N 3.07Å; D168-C170 PolarHBondContact OD1-SG 3.32Å; D168-I171 VanDerWaalsContact O-CG1 3.3Å; D168-I171 WeakPolarHBondContact O-CG1 3.2Å; D168-I171 PolarHBondContact O-N 3.09Å; D168-K201 IonicContact OD2-NZ 2.74Å; D168-K201 PolarHBondContact OD2-NZ 2.8Å
169	P	90.5	Very high	90.8	Very high	11 Å²	11	54 Å²	54	7%	0.071	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.4	-17.1	177.8	-3.3	7.5	0	0	0	114	I171 Y172 L197 P211 A215	P169-I171 PolarHBondContact O-N 2.98Å; P169-Y172 PolarHBondContact O-N 3.26Å; P169-L197 HydrophobicContact CB-CD1 4.11Å; P169-L197 HydrophobicContact CB-CD2 3.57Å; P169-L197 HydrophobicContact CB-CG 4.28Å; P169-L197 HydrophobicContact CG-CD1 4.39Å; P169-L197 HydrophobicContact CG-CD2 4.15Å; P169-L197 HydrophobicContact CG-CG 4.49Å; P169-P211 HydrophobicContact CB-CB 3.52Å; P169-P211 WeakPolarHBondContact CB-O 3.47Å; P169-P211 HydrophobicContact CG-CB 3.73Å; P169-A215 HydrophobicContact CB-CB 4.49Å
170	C	91.8	Very high	90.7	Very high	12 Å²	12	48 Å²	48	8%	0.081	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36.3	178.4	-73.5	0	0	0	0	112.9	D168 Y172 I173 M194 L197	D168-C170 HydrophobicContact CB-CB 4.4Å; D168-C170 PolarHBondContact O-N 3.22Å; D168-C170 WeakPolarHBondContact OD1-CB 3.43Å; D168-C170 PolarHBondContact OD1-N 3.22Å; D168-C170 VanDerWaalsContact OD1-N 3.07Å; D168-C170 PolarHBondContact OD1-SG 3.32Å; C170-Y172 PolarHBondContact O-N 2.84Å; C170-Y172 VanDerWaalsContact O-N 3.09Å; C170-I173 WeakPolarHBondContact O-CB 3.44Å; C170-I173 WeakPolarHBondContact O-CG1 3.45Å; C170-I173 PolarHBondContact O-N 3.42Å; C170-I173 VanDerWaalsContact O-N 3.15Å; C170-M194 HydrophobicContact CB-CE 3.83Å; C170-M194 HydrophobicContact CB-SD 3.2Å; C170-M194 WeakPolarHBondContact CB-SD 3.48Å; C170-M194 VanDerWaalsContact O-CE 3.28Å; C170-M194 WeakPolarHBondContact O-CE 3.4Å; C170-M194 PolarHBondContact SG-SD 3.28Å; C170-L197 VanDerWaalsContact CA-CD2 3.47Å; C170-L197 HydrophobicContact CB-CD2 4.15Å; C170-L197 VanDerWaalsContact SG-CD2 3.51Å
171	I	91.2	Very high	90.5	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.205	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-62.7	-20.9	-176.5	71.1	-174.6	0	0	0	114	M167 D168 P169	M167-I171 HydrophobicContact CB-CD1 4.31Å; M167-I171 HydrophobicContact CE-CD1 3.13Å; M167-I171 HydrophobicContact SD-CD1 4.12Å; D168-I171 VanDerWaalsContact O-CG1 3.3Å; D168-I171 WeakPolarHBondContact O-CG1 3.2Å; D168-I171 PolarHBondContact O-N 3.09Å; P169-I171 PolarHBondContact O-N 2.98Å
172	Y	92.8	Very high	90.4	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.035	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-88.5	-17.3	-177.7	-60.4	-62.6	0	0	0	112.7	M134 P169 C170 D174 R175 F176 P211	M134-Y172 HydrophobicContact CG-CD1 3.96Å; M134-Y172 HydrophobicContact CG-CE1 3.48Å; M134-Y172 VanDerWaalsContact CG-CE1 3.48Å; M134-Y172 HydrophobicContact SD-CD1 4.49Å; P169-Y172 PolarHBondContact O-N 3.26Å; C170-Y172 PolarHBondContact O-N 2.84Å; C170-Y172 VanDerWaalsContact O-N 3.09Å; Y172-D174 PolarHBondContact O-N 3.09Å; Y172-R175 PolarHBondContact O-N 3.35Å; Y172-F176 HydrophobicContact CG-CE2 4.34Å; Y172-F176 HydrophobicContact CG-CZ 4.32Å; Y172-F176 WeakPolarHBondContact O-CG 3.33Å; Y172-F176 PolarHBondContact O-N 3.01Å; Y172-P211 HydrophobicContact CD2-CB 4.41Å; Y172-P211 HydrophobicContact CE2-CB 3.98Å; Y172-P211 HydrophobicContact CE2-CG 3.91Å
173	I	94.5	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-48.4	-172.1	-65.6	-64.6	0	0	0	111.4	C170 R175 F176 A177 A190 A193 M194 L197 A215	C170-I173 WeakPolarHBondContact O-CB 3.44Å; C170-I173 WeakPolarHBondContact O-CG1 3.45Å; C170-I173 PolarHBondContact O-N 3.42Å; C170-I173 VanDerWaalsContact O-N 3.15Å; I173-R175 VanDerWaalsContact C-N 3.31Å; I173-R175 PolarHBondContact O-N 3.33Å; I173-F176 PolarHBondContact O-N 3.38Å; I173-A177 WeakPolarHBondContact O-CB 3.29Å; I173-A177 PolarHBondContact O-N 2.91Å; I173-A190 HydrophobicContact CG2-CB 3.99Å; I173-A190 WeakPolarHBondContact CG2-O 3.48Å; I173-A193 HydrophobicContact CD1-CB 4.09Å; I173-A193 HydrophobicContact CG2-CB 3.85Å; I173-M194 HydrophobicContact CB-CE 4.22Å; I173-M194 HydrophobicContact CG1-CE 4.44Å; I173-L197 HydrophobicContact CD1-CD2 4.49Å; I173-L197 HydrophobicContact CG1-CD2 4.31Å; I173-A215 HydrophobicContact CD1-CB 3.88Å
174	D	92.4	Very high	90.3	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-40.9	-177.2	-65.5	-34.3	0	0	0	112.2	Y172 S178	Y172-D174 PolarHBondContact O-N 3.09Å; D174-S178 WeakPolarHBondContact O-CB 3.29Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 3.41Å
175	R	91.1	Very high	90.4	Very high	52 Å²	52	55.9 Å²	55.9	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-48.1	177.3	177.3	179.3	163.1	-169.6	-7.5	111.2	N132 D137 Y172 I173 S178 Q179	N132-R175 PolarHBondContact O-NH1 3.25Å; D137-R175 IonicContact OD1-CZ 3.51Å; D137-R175 IonicContact OD1-NH1 2.65Å; D137-R175 IonicContact OD1-NH2 3.81Å; D137-R175 PolarHBondContact OD1-NH2 3.44Å; D137-R175 IonicContact OD2-CZ 2.81Å; D137-R175 VanDerWaalsContact OD2-CZ 3.31Å; D137-R175 IonicContact OD2-NH1 2.69Å; D137-R175 PolarHBondContact OD2-NH1 3.01Å; D137-R175 IonicContact OD2-NH2 2.71Å; D137-R175 PolarHBondContact OD2-NH2 3.15Å; D137-R175 VanDerWaalsContact OD2-NH2 3.12Å; Y172-R175 PolarHBondContact O-N 3.35Å; I173-R175 VanDerWaalsContact C-N 3.31Å; I173-R175 PolarHBondContact O-N 3.33Å; R175-S178 PolarHBondContact O-N 3.42Å; R175-Q179 WeakPolarHBondContact O-CG 3.43Å; R175-Q179 PolarHBondContact O-N 2.95Å
176	F	93.4	Very high	90.8	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-37.5	-179	-63.5	-21.4	0	0	0	112.1	M134 Y172 I173 S178 Q179 L180 A215 L219 I238 A239	M134-F176 HydrophobicContact CE-CZ 4.4Å; M134-F176 HydrophobicContact SD-CE1 3.88Å; M134-F176 HydrophobicContact SD-CZ 3.7Å; Y172-F176 HydrophobicContact CG-CE2 4.34Å; Y172-F176 HydrophobicContact CG-CZ 4.32Å; Y172-F176 WeakPolarHBondContact O-CG 3.33Å; Y172-F176 PolarHBondContact O-N 3.01Å; I173-F176 PolarHBondContact O-N 3.38Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 2.95Å; F176-Q179 PolarHBondContact O-N 2.97Å; F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.11Å; F176-A215 HydrophobicContact CD2-CB 4.16Å; F176-A215 HydrophobicContact CE2-CB 3.99Å; F176-L219 HydrophobicContact CB-CD2 3.46Å; F176-L219 VanDerWaalsContact CB-CD2 3.46Å; F176-I238 HydrophobicContact CB-CG2 3.98Å; F176-I238 HydrophobicContact CD1-CG2 3.73Å; F176-I238 HydrophobicContact CG-CG2 4.06Å; F176-A239 HydrophobicContact CD2-CB 4.34Å; F176-A239 HydrophobicContact CE2-CB 3.85Å; F176-A239 HydrophobicContact CZ-CB 3.97Å
177	A	94.1	Very high	91.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-38.6	177.2	0	0	0	0	0	111.8	I173 Q179 L180 F182 V186 A190 L219	I173-A177 WeakPolarHBondContact O-CB 3.29Å; I173-A177 PolarHBondContact O-N 2.91Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3.36Å; A177-F182 HydrophobicContact CB-CD2 4.32Å; A177-F182 HydrophobicContact CB-CE2 4.18Å; A177-F182 WeakPolarHBondContact O-CD2 3.29Å; A177-V186 HydrophobicContact CB-CG1 4.08Å; A177-A190 HydrophobicContact CB-CB 4.03Å; A177-L219 HydrophobicContact CB-CD1 4.08Å
178	S	92.3	Very high	91.7	Very high	79 Å²	79	52.3 Å²	52.3	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-66	-31.8	175.1	-57.1	0	0	0	0	112.5	D174 R175 F176	D174-S178 WeakPolarHBondContact O-CB 3.29Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 3.41Å; R175-S178 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 2.95Å
179	Q	91.9	Very high	92	Very high	89 Å²	89	49.8 Å²	49.8	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-82.2	-18.5	179.6	-70.6	179.3	-16.5	0	0	113.9	R175 F176 A177 I238	R175-Q179 WeakPolarHBondContact O-CG 3.43Å; R175-Q179 PolarHBondContact O-N 2.95Å; F176-Q179 PolarHBondContact O-N 2.97Å; A177-Q179 VanDerWaalsContact C-N 3.3Å; A177-Q179 PolarHBondContact O-N 3.09Å; Q179-I238 HydrophobicContact CB-CD1 4.1Å; Q179-I238 HydrophobicContact CB-CG1 4.25Å; Q179-I238 HydrophobicContact CB-CG2 3.92Å; Q179-I238 WeakPolarHBondContact O-CD1 3.5Å
180	L	90.8	Very high	92.2	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0	177.5	-82.9	171.7	0	0	0	114.2	F176 A177 F182 L219 R230 D234 V235 I238	F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.11Å; A177-L180 PolarHBondContact O-N 3.36Å; L180-F182 HydrophobicContact CB-CD2 4.24Å; L180-F182 HydrophobicContact CB-CE1 4.09Å; L180-F182 HydrophobicContact CB-CE2 3.64Å; L180-F182 HydrophobicContact CB-CZ 3.56Å; L180-F182 HydrophobicContact CD1-CE1 4.49Å; L180-F182 HydrophobicContact CD1-CE2 3.98Å; L180-F182 HydrophobicContact CD1-CZ 3.54Å; L180-F182 HydrophobicContact CG-CE2 4.48Å; L180-F182 HydrophobicContact CG-CZ 4.17Å; L180-F182 PolarHBondContact O-N 3.22Å; L180-L219 HydrophobicContact CD1-CD2 3.38Å; L180-L219 HydrophobicContact CD1-CG 3.79Å; L180-R230 HydrophobicContact CD2-CG 4.43Å; L180-R230 PolarHBondContact O-NE 3.28Å; L180-R230 PolarHBondContact O-NH2 3.14Å; L180-R230 VanDerWaalsContact O-NH2 3.16Å; L180-D234 HydrophobicContact CD2-CB 4.39Å; L180-V235 HydrophobicContact CD1-CG1 4.46Å; L180-V235 HydrophobicContact CD1-CG2 3.89Å; L180-V235 HydrophobicContact CD2-CG2 4.08Å; L180-I238 HydrophobicContact CB-CD1 4.33Å; L180-I238 HydrophobicContact CD2-CD1 3.33Å; L180-I238 HydrophobicContact CG-CD1 3.47Å; L180-I238 VanDerWaalsContact CG-CD1 3.47Å
181	E	86.5	Confident	92.3	Very high	154 Å²	154	53.6 Å²	53.6	72%	0.72	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	60.7	173.2	-59.3	179.4	173.9	0	0	113.4	G183 R230	E181-G183 PolarHBondContact O-N 3.07Å; E181-R230 PolarHBondContact O-NH2 3.45Å
182	F	88.9	Confident	92.4	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	30%	0.295	C	S	.	.			trans	-79.8	10.6	175.6	-56.4	-63.8	0	0	0	114.3	A177 L180 D184 K185 V186 V189 L219 A223 F228 R230	A177-F182 HydrophobicContact CB-CD2 4.32Å; A177-F182 HydrophobicContact CB-CE2 4.18Å; A177-F182 WeakPolarHBondContact O-CD2 3.29Å; L180-F182 HydrophobicContact CB-CD2 4.24Å; L180-F182 HydrophobicContact CB-CE1 4.09Å; L180-F182 HydrophobicContact CB-CE2 3.64Å; L180-F182 HydrophobicContact CB-CZ 3.56Å; L180-F182 HydrophobicContact CD1-CE1 4.49Å; L180-F182 HydrophobicContact CD1-CE2 3.98Å; L180-F182 HydrophobicContact CD1-CZ 3.54Å; L180-F182 HydrophobicContact CG-CE2 4.48Å; L180-F182 HydrophobicContact CG-CZ 4.17Å; L180-F182 PolarHBondContact O-N 3.22Å; F182-D184 PolarHBondContact O-N 3.33Å; F182-K185 PolarHBondContact O-N 3.06Å; F182-V186 HydrophobicContact CB-CB 4.43Å; F182-V186 HydrophobicContact CB-CG2 3.66Å; F182-V186 HydrophobicContact CD2-CG2 4.39Å; F182-V189 HydrophobicContact CB-CG2 4.47Å; F182-V189 HydrophobicContact CD2-CB 4.14Å; F182-V189 HydrophobicContact CD2-CG1 3.9Å; F182-V189 HydrophobicContact CD2-CG2 4.48Å; F182-V189 HydrophobicContact CE1-CG1 4.47Å; F182-V189 HydrophobicContact CE2-CB 4.39Å; F182-V189 HydrophobicContact CE2-CG1 3.65Å; F182-V189 HydrophobicContact CG-CB 4.47Å; F182-V189 HydrophobicContact CG-CG1 4.4Å; F182-V189 HydrophobicContact CG-CG2 4.32Å; F182-V189 HydrophobicContact CZ-CG1 3.96Å; F182-L219 HydrophobicContact CE2-CD1 4.06Å; F182-L219 HydrophobicContact CE2-CG 4.41Å; F182-L219 HydrophobicContact CZ-CD1 4.45Å; F182-L219 HydrophobicContact CZ-CG 4.44Å; F182-A223 HydrophobicContact CE1-CB 3.67Å; F182-A223 HydrophobicContact CZ-CB 3.84Å; F182-F228 HydrophobicContact CB-CE2 4.2Å; F182-F228 HydrophobicContact CB-CZ 4.21Å; F182-F228 HydrophobicContact CD1-CB 3.99Å; F182-F228 HydrophobicContact CD1-CD1 4.13Å; F182-F228 AromaticContact CD1-CD2 3.88Å; F182-F228 HydrophobicContact CD1-CD2 3.88Å; F182-F228 HydrophobicContact CD1-CE2 4.37Å; F182-F228 AromaticContact CD1-CG 3.74Å; F182-F228 HydrophobicContact CD1-CG 3.74Å; F182-F228 HydrophobicContact CE1-CB 4.04Å; F182-F228 HydrophobicContact CE1-CG 4.3Å; F182-F228 VanDerWaalsContact O-CZ 3.29Å; F182-F228 WeakPolarHBondContact O-CZ 3.44Å; F182-R230 HydrophobicContact CE1-CG 3.8Å
183	G	89.1	Confident	92.6	Very high	56 Å²	56	51.7 Å²	51.7	58%	0.577	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	58.7	-132.4	-176.7	0	0	0	0	0	112.6	E181 K185 V186	E181-G183 PolarHBondContact O-N 3.07Å; G183-K185 PolarHBondContact O-N 3.48Å; G183-V186 WeakPolarHBondContact O-CG2 3.44Å; G183-V186 PolarHBondContact O-N 3.09Å
184	D	91.2	Very high	92.5	Very high	167 Å²	167	53.8 Å²	53.8	89%	0.893	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.2	-176.8	-56.2	-35.9	0	0	0	113.5	F182	F182-D184 PolarHBondContact O-N 3.33Å
185	K	91.7	Very high	92.5	Very high	97 Å²	97	53 Å²	53	42%	0.422	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-92.5	9.9	-177.9	-65.3	-175.5	-178.3	179.4	0	113.5	F182 G183 S187 T188 V189 F228	F182-K185 PolarHBondContact O-N 3.06Å; G183-K185 PolarHBondContact O-N 3.48Å; K185-S187 VanDerWaalsContact C-N 3.33Å; K185-S187 PolarHBondContact O-N 3.44Å; K185-T188 WeakPolarHBondContact CA-OG1 3.35Å; K185-T188 PolarHBondContact O-N 3.39Å; K185-T188 PolarHBondContact O-OG1 2.82Å; K185-V189 HydrophobicContact CB-CG2 4.44Å; K185-V189 WeakPolarHBondContact O-CB 3.49Å; K185-V189 VanDerWaalsContact O-CG2 3.23Å; K185-V189 WeakPolarHBondContact O-CG2 3.29Å; K185-V189 PolarHBondContact O-N 3.29Å; K185-F228 HydrophobicContact CB-CE2 3.77Å; K185-F228 HydrophobicContact CB-CZ 4.01Å; K185-F228 HydrophobicContact CD-CE2 3.76Å; K185-F228 HydrophobicContact CD-CZ 3.97Å; K185-F228 HydrophobicContact CG-CE2 4.35Å; K185-F228 HydrophobicContact CG-CZ 4.41Å
186	V	94.6	Very high	92.6	Very high	33 Å²	33	50.7 Å²	50.7	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-45.4	-179.5	171.3	0	0	0	0	111.9	A177 F182 G183 A190	A177-V186 HydrophobicContact CB-CG1 4.08Å; F182-V186 HydrophobicContact CB-CB 4.43Å; F182-V186 HydrophobicContact CB-CG2 3.66Å; F182-V186 HydrophobicContact CD2-CG2 4.39Å; G183-V186 WeakPolarHBondContact O-CG2 3.44Å; G183-V186 PolarHBondContact O-N 3.09Å; V186-A190 VanDerWaalsContact O-CB 3.25Å; V186-A190 WeakPolarHBondContact O-CB 3.39Å; V186-A190 PolarHBondContact O-N 3.48Å
187	S	93.6	Very high	92.5	Very high	78 Å²	78	50.8 Å²	50.8	55%	0.545	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-38.6	-178.5	58.3	0	0	0	0	112.9	K185 T191	K185-S187 VanDerWaalsContact C-N 3.33Å; K185-S187 PolarHBondContact O-N 3.44Å; S187-T191 WeakPolarHBondContact O-CB 3.43Å; S187-T191 PolarHBondContact O-N 2.81Å; S187-T191 PolarHBondContact O-OG1 2.91Å
188	T	94.1	Very high	92.4	Very high	60 Å²	60	55.8 Å²	55.8	37%	0.368	31%	0.309	S	S	.	.	H	α-helix	trans	-68.6	-43.5	177.8	54.9	0	0	0	0	110.7	K185 T191 T192	K185-T188 WeakPolarHBondContact CA-OG1 3.35Å; K185-T188 PolarHBondContact O-N 3.39Å; K185-T188 PolarHBondContact O-OG1 2.82Å; T188-T191 PolarHBondContact O-N 3.15Å; T188-T192 PolarHBondContact O-N 3.01Å; T188-T192 PolarHBondContact O-OG1 3.45Å; T188-T192 VanDerWaalsContact O-OG1 3.07Å
189	V	94.9	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-44.6	175.7	175.6	0	0	0	0	110.9	F182 K185 T191 T192 A193 L219 A222 H226 F228	F182-V189 HydrophobicContact CB-CG2 4.47Å; F182-V189 HydrophobicContact CD2-CB 4.14Å; F182-V189 HydrophobicContact CD2-CG1 3.9Å; F182-V189 HydrophobicContact CD2-CG2 4.48Å; F182-V189 HydrophobicContact CE1-CG1 4.47Å; F182-V189 HydrophobicContact CE2-CB 4.39Å; F182-V189 HydrophobicContact CE2-CG1 3.65Å; F182-V189 HydrophobicContact CG-CB 4.47Å; F182-V189 HydrophobicContact CG-CG1 4.4Å; F182-V189 HydrophobicContact CG-CG2 4.32Å; F182-V189 HydrophobicContact CZ-CG1 3.96Å; K185-V189 HydrophobicContact CB-CG2 4.44Å; K185-V189 WeakPolarHBondContact O-CB 3.49Å; K185-V189 VanDerWaalsContact O-CG2 3.23Å; K185-V189 WeakPolarHBondContact O-CG2 3.29Å; K185-V189 PolarHBondContact O-N 3.29Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.34Å; V189-T192 PolarHBondContact O-N 2.9Å; V189-A193 WeakPolarHBondContact O-CB 3.37Å; V189-A193 PolarHBondContact O-N 2.88Å; V189-L219 HydrophobicContact CG1-CD1 4.16Å; V189-A222 HydrophobicContact CG1-CB 4.04Å; V189-H226 HydrophobicContact CG2-CB 3.76Å; V189-F228 HydrophobicContact CG2-CD2 4.13Å; V189-F228 HydrophobicContact CG2-CE2 4.14Å
190	A	95.3	Very high	92.1	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-43.2	177.1	0	0	0	0	0	111.9	I173 A177 V186 A193 M194	I173-A190 HydrophobicContact CG2-CB 3.99Å; I173-A190 WeakPolarHBondContact CG2-O 3.48Å; A177-A190 HydrophobicContact CB-CB 4.03Å; V186-A190 VanDerWaalsContact O-CB 3.25Å; V186-A190 WeakPolarHBondContact O-CB 3.39Å; V186-A190 PolarHBondContact O-N 3.48Å; A190-A193 PolarHBondContact O-N 3.33Å; A190-M194 WeakPolarHBondContact O-CB 3.36Å; A190-M194 PolarHBondContact O-N 3.33Å
191	T	94.4	Very high	92.1	Very high	98 Å²	98	53.4 Å²	53.4	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-42.1	177.3	-55	0	0	0	0	111.8	S187 T188 V189 M194 R195	S187-T191 WeakPolarHBondContact O-CB 3.43Å; S187-T191 PolarHBondContact O-N 2.81Å; S187-T191 PolarHBondContact O-OG1 2.91Å; T188-T191 PolarHBondContact O-N 3.15Å; V189-T191 VanDerWaalsContact C-N 3.35Å; V189-T191 PolarHBondContact O-N 3.34Å; T191-M194 WeakPolarHBondContact O-CB 2.88Å; T191-M194 PolarHBondContact O-N 2.87Å; T191-R195 PolarHBondContact O-N 2.9Å
192	T	93.3	Very high	92.2	Very high	9 Å²	9	51 Å²	51	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.4	-58	0	0	0	0	111.5	T188 V189 M194 R195 L196 A222 I225 H226 F267	T188-T192 PolarHBondContact O-N 3.01Å; T188-T192 PolarHBondContact O-OG1 3.45Å; T188-T192 VanDerWaalsContact O-OG1 3.07Å; V189-T192 PolarHBondContact O-N 2.9Å; T192-M194 VanDerWaalsContact C-N 3.34Å; T192-M194 PolarHBondContact O-N 3.37Å; T192-R195 PolarHBondContact O-N 3.13Å; T192-L196 HydrophobicContact CG2-CD1 4.15Å; T192-L196 WeakPolarHBondContact O-CG 3.5Å; T192-L196 PolarHBondContact O-N 3.35Å; T192-A222 HydrophobicContact CG2-CB 4.14Å; T192-I225 HydrophobicContact CG2-CD1 4.1Å; T192-I225 HydrophobicContact CG2-CG2 4.49Å; T192-H226 PolarHBondContact OG1-NE2 3.5Å; T192-F267 HydrophobicContact CG2-CE1 4Å; T192-F267 HydrophobicContact CG2-CZ 3.72Å
193	A	95.4	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-40.2	176.8	0	0	0	0	0	111.9	I173 V189 A190 L196 L197 L219 A222	I173-A193 HydrophobicContact CD1-CB 4.09Å; I173-A193 HydrophobicContact CG2-CB 3.85Å; V189-A193 WeakPolarHBondContact O-CB 3.37Å; V189-A193 PolarHBondContact O-N 2.88Å; A190-A193 PolarHBondContact O-N 3.33Å; A193-L196 PolarHBondContact O-N 3.01Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.29Å; A193-L197 PolarHBondContact O-N 3.42Å; A193-L219 HydrophobicContact CB-CD1 3.91Å; A193-A222 HydrophobicContact CB-CB 3.61Å
194	M	94	Very high	92.1	Very high	44 Å²	44	53.7 Å²	53.7	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-48.6	173.2	-173.8	66.9	64.4	0	0	111.3	C170 I173 A190 T191 T192 L196 L197 Q198	C170-M194 HydrophobicContact CB-CE 3.83Å; C170-M194 HydrophobicContact CB-SD 3.2Å; C170-M194 WeakPolarHBondContact CB-SD 3.48Å; C170-M194 VanDerWaalsContact O-CE 3.28Å; C170-M194 WeakPolarHBondContact O-CE 3.4Å; C170-M194 PolarHBondContact SG-SD 3.28Å; I173-M194 HydrophobicContact CB-CE 4.22Å; I173-M194 HydrophobicContact CG1-CE 4.44Å; A190-M194 WeakPolarHBondContact O-CB 3.36Å; A190-M194 PolarHBondContact O-N 3.33Å; T191-M194 WeakPolarHBondContact O-CB 2.88Å; T191-M194 PolarHBondContact O-N 2.87Å; T192-M194 VanDerWaalsContact C-N 3.34Å; T192-M194 PolarHBondContact O-N 3.37Å; M194-L196 PolarHBondContact O-N 3.27Å; M194-L197 PolarHBondContact O-N 2.98Å; M194-Q198 WeakPolarHBondContact O-CG 3.12Å; M194-Q198 PolarHBondContact O-N 2.98Å
195	R	91.9	Very high	92	Very high	78 Å²	78	45.9 Å²	45.9	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-42.5	178.2	-169.2	175.5	-175.1	170.5	-2.1	112	T191 T192 L197 Q198 R199 F266 F267 D270	T191-R195 PolarHBondContact O-N 2.9Å; T192-R195 PolarHBondContact O-N 3.13Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 3.22Å; R195-Q198 PolarHBondContact O-N 3.03Å; R195-R199 PolarHBondContact O-N 3.03Å; R195-F266 HydrophobicContact CB-CE1 4.39Å; R195-F266 HydrophobicContact CB-CZ 4.37Å; R195-F266 HydrophobicContact CG-CE1 4.07Å; R195-F266 HydrophobicContact CG-CZ 3.94Å; R195-F266 PolarHBondContact NH2-O 3.2Å; R195-F267 VanDerWaalsContact CZ-O 3.25Å; R195-F267 PolarHBondContact NH1-O 3.11Å; R195-F267 PolarHBondContact NH2-O 3.35Å; R195-D270 IonicContact NH2-OD1 3.41Å; R195-D270 PolarHBondContact NH2-OD1 2.71Å
196	L	92.5	Very high	91.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-42.7	175.1	-77	164.7	0	0	0	111.7	T192 A193 M194 R199 M200 A218 V221 A222 I225 F253 F266	T192-L196 HydrophobicContact CG2-CD1 4.15Å; T192-L196 WeakPolarHBondContact O-CG 3.5Å; T192-L196 PolarHBondContact O-N 3.35Å; A193-L196 PolarHBondContact O-N 3.01Å; M194-L196 PolarHBondContact O-N 3.27Å; L196-R199 WeakPolarHBondContact O-CB 3.39Å; L196-R199 PolarHBondContact O-N 3.22Å; L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.35Å; L196-A218 HydrophobicContact CB-CB 4.34Å; L196-V221 HydrophobicContact CD1-CB 4.01Å; L196-V221 HydrophobicContact CD1-CG1 3.76Å; L196-V221 HydrophobicContact CD2-CG1 4.26Å; L196-A222 HydrophobicContact CD1-CB 4Å; L196-I225 HydrophobicContact CD1-CD1 4.05Å; L196-F253 HydrophobicContact CD2-CE1 4.49Å; L196-F253 HydrophobicContact CD2-CZ 4.14Å; L196-F266 HydrophobicContact CB-CZ 4.34Å; L196-F266 HydrophobicContact CD2-CD2 4.42Å; L196-F266 HydrophobicContact CD2-CE1 3.84Å; L196-F266 HydrophobicContact CD2-CE2 3.7Å; L196-F266 HydrophobicContact CD2-CZ 3.38Å; L196-F266 HydrophobicContact CG-CE1 3.92Å; L196-F266 HydrophobicContact CG-CE2 4.45Å; L196-F266 HydrophobicContact CG-CZ 3.65Å
197	L	92.3	Very high	91.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-68.6	-38.1	-179.5	-169.4	74.7	0	0	0	112.3	P169 C170 I173 A193 M194 R195 R199 M200 K201 L214 A218	P169-L197 HydrophobicContact CB-CD1 4.11Å; P169-L197 HydrophobicContact CB-CD2 3.57Å; P169-L197 HydrophobicContact CB-CG 4.28Å; P169-L197 HydrophobicContact CG-CD1 4.39Å; P169-L197 HydrophobicContact CG-CD2 4.15Å; P169-L197 HydrophobicContact CG-CG 4.49Å; C170-L197 VanDerWaalsContact CA-CD2 3.47Å; C170-L197 HydrophobicContact CB-CD2 4.15Å; C170-L197 VanDerWaalsContact SG-CD2 3.51Å; I173-L197 HydrophobicContact CD1-CD2 4.49Å; I173-L197 HydrophobicContact CG1-CD2 4.31Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.29Å; A193-L197 PolarHBondContact O-N 3.42Å; M194-L197 PolarHBondContact O-N 2.98Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 3.22Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 2.93Å; L197-M200 HydrophobicContact CD1-SD 4.37Å; L197-M200 PolarHBondContact O-N 3.25Å; L197-K201 PolarHBondContact O-N 2.93Å; L197-L214 HydrophobicContact CD1-CB 3.71Å; L197-L214 HydrophobicContact CD1-CD2 4.48Å; L197-A218 HydrophobicContact CB-CB 4.06Å; L197-A218 HydrophobicContact CD1-CB 4.02Å
198	Q	91.2	Very high	91.1	Very high	105 Å²	105	43.8 Å²	43.8	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-38.5	172.1	-72.4	174.6	-5.5	0	0	111.6	M194 R195 K201 K202	M194-Q198 WeakPolarHBondContact O-CG 3.12Å; M194-Q198 PolarHBondContact O-N 2.98Å; R195-Q198 PolarHBondContact O-N 3.03Å; Q198-K201 WeakPolarHBondContact O-CB 3.24Å; Q198-K201 PolarHBondContact O-N 3.3Å; Q198-K202 PolarHBondContact O-N 3.39Å; Q198-K202 VanDerWaalsContact O-N 3.16Å
199	R	88.6	Confident	90.8	Very high	18 Å²	18	43.6 Å²	43.6	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-50.4	171.3	175	59.6	66.9	-174.3	-3.5	111.4	R195 L196 L197 K201 K202 D203 F253 S258 F266 Y271	R195-R199 PolarHBondContact O-N 3.03Å; L196-R199 WeakPolarHBondContact O-CB 3.39Å; L196-R199 PolarHBondContact O-N 3.22Å; L197-R199 VanDerWaalsContact C-N 3.29Å; L197-R199 PolarHBondContact O-N 2.93Å; R199-K201 PolarHBondContact O-N 3.26Å; R199-K201 VanDerWaalsContact O-N 3.15Å; R199-K202 WeakPolarHBondContact O-CB 3.28Å; R199-K202 PolarHBondContact O-N 3.35Å; R199-D203 WeakPolarHBondContact CD-OD2 3.34Å; R199-D203 WeakPolarHBondContact CG-OD2 3.35Å; R199-D203 PolarHBondContact O-N 3.01Å; R199-F253 HydrophobicContact CG-CE2 4.46Å; R199-S258 WeakPolarHBondContact CD-OG 3.46Å; R199-F266 HydrophobicContact CB-CE2 4.31Å; R199-F266 HydrophobicContact CG-CE2 4.39Å; R199-Y271 VanDerWaalsContact CZ-CB 3.5Å; R199-Y271 VanDerWaalsContact NH1-CB 3.29Å; R199-Y271 PolarHBondContact NH1-O 3.3Å; R199-Y271 VanDerWaalsContact NH2-CB 3.34Å; R199-Y271 PolarHBondContact NH2-O 2.92Å
200	M	90.1	Very high	90.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-31.6	176.4	-69.7	173.9	178.4	0	0	113.1	L196 L197 I205 A218 F253	L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.35Å; L197-M200 HydrophobicContact CD1-SD 4.37Å; L197-M200 PolarHBondContact O-N 3.25Å; M200-I205 HydrophobicContact CB-CD1 4.46Å; M200-I205 HydrophobicContact CG-CD1 4.45Å; M200-I205 WeakPolarHBondContact O-CB 3.48Å; M200-I205 PolarHBondContact O-N 3.38Å; M200-I205 VanDerWaalsContact O-N 3.09Å; M200-A218 HydrophobicContact CE-CB 4.24Å; M200-A218 HydrophobicContact SD-CB 4.09Å; M200-F253 HydrophobicContact CE-CB 3.99Å; M200-F253 HydrophobicContact CE-CD1 3.74Å; M200-F253 HydrophobicContact CE-CD2 3.76Å; M200-F253 HydrophobicContact CE-CE1 4.12Å; M200-F253 HydrophobicContact CE-CE2 4.12Å; M200-F253 HydrophobicContact CE-CG 3.54Å; M200-F253 HydrophobicContact CE-CZ 4.29Å; M200-F253 HydrophobicContact CG-CD2 3.57Å; M200-F253 HydrophobicContact CG-CE2 3.82Å; M200-F253 HydrophobicContact CG-CG 4.28Å; M200-F253 HydrophobicContact SD-CD2 4.49Å
201	K	90	Very high	90.3	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-70.7	-39.9	175.3	-170.4	-179.4	-179.6	-178.7	0	112.1	D168 L197 Q198 R199 D203 W204 A206	D168-K201 IonicContact OD2-NZ 2.74Å; D168-K201 PolarHBondContact OD2-NZ 2.8Å; L197-K201 PolarHBondContact O-N 2.93Å; Q198-K201 WeakPolarHBondContact O-CB 3.24Å; Q198-K201 PolarHBondContact O-N 3.3Å; R199-K201 PolarHBondContact O-N 3.26Å; R199-K201 VanDerWaalsContact O-N 3.15Å; K201-D203 VanDerWaalsContact C-N 3.3Å; K201-W204 PolarHBondContact O-N 2.69Å; K201-A206 HydrophobicContact CB-CB 4.38Å; K201-A206 HydrophobicContact CG-CB 4.28Å
202	K	88.1	Confident	90.2	Very high	102 Å²	102	49.4 Å²	49.4	44%	0.443	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-33.1	173.1	-70.4	-174.1	175.6	-173.9	0	112.3	Q198 R199 W204	Q198-K202 PolarHBondContact O-N 3.39Å; Q198-K202 VanDerWaalsContact O-N 3.16Å; R199-K202 WeakPolarHBondContact O-CB 3.28Å; R199-K202 PolarHBondContact O-N 3.35Å; K202-W204 VanDerWaalsContact O-CD1 3.28Å; K202-W204 PolarHBondContact O-N 3.43Å
203	D	88.5	Confident	90.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.011	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	15.4	177.2	-59.5	-32.2	0	0	0	112.8	R199 K201 I205 T256 S258 Q275	R199-D203 WeakPolarHBondContact CD-OD2 3.34Å; R199-D203 WeakPolarHBondContact CG-OD2 3.35Å; R199-D203 PolarHBondContact O-N 3.01Å; K201-D203 VanDerWaalsContact C-N 3.3Å; D203-I205 HydrophobicContact CB-CD1 4.06Å; D203-I205 HydrophobicContact CB-CG1 4.03Å; D203-I205 WeakPolarHBondContact O-CG1 3.3Å; D203-I205 PolarHBondContact O-N 3.47Å; D203-T256 HydrophobicContact CB-CG2 3.78Å; D203-T256 WeakPolarHBondContact OD2-CG2 3.3Å; D203-S258 PolarHBondContact OD2-OG 2.91Å; D203-Q275 HydrophobicContact CB-CB 4.26Å; D203-Q275 HydrophobicContact CB-CG 4.38Å
204	W	89.3	Confident	90.1	Very high	113 Å²	113	49.2 Å²	49.2	43%	0.428	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	24.5	179.1	-69.2	83.4	0	0	0	115.6	K201 K202 T207 E274 Q275 P277	K201-W204 PolarHBondContact O-N 2.69Å; K202-W204 VanDerWaalsContact O-CD1 3.28Å; K202-W204 PolarHBondContact O-N 3.43Å; W204-T207 HydrophobicContact CE3-CG2 3.6Å; W204-T207 HydrophobicContact CZ3-CG2 3.85Å; W204-T207 PolarHBondContact O-OG1 3.28Å; W204-E274 PolarHBondContact NE1-OE2 3.19Å; W204-Q275 WeakPolarHBondContact CB-O 3.42Å; W204-P277 HydrophobicContact CB-CB 4.1Å
205	I	88.5	Confident	90.1	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.235	C	C	.	.			trans	-82.6	-18.6	177.7	-47.7	176.2	0	0	0	111.1	M200 D203 R209 E252 F253	M200-I205 HydrophobicContact CB-CD1 4.46Å; M200-I205 HydrophobicContact CG-CD1 4.45Å; M200-I205 WeakPolarHBondContact O-CB 3.48Å; M200-I205 PolarHBondContact O-N 3.38Å; M200-I205 VanDerWaalsContact O-N 3.09Å; D203-I205 HydrophobicContact CB-CD1 4.06Å; D203-I205 HydrophobicContact CB-CG1 4.03Å; D203-I205 WeakPolarHBondContact O-CG1 3.3Å; D203-I205 PolarHBondContact O-N 3.47Å; I205-R209 WeakPolarHBondContact O-CD 3.4Å; I205-R209 PolarHBondContact O-NE 3Å; I205-E252 HydrophobicContact CG2-CB 4.24Å; I205-F253 HydrophobicContact CD1-CB 4.24Å; I205-F253 HydrophobicContact CD1-CD2 4Å
206	A	87.4	Confident	90.2	Very high	21 Å²	21	43.4 Å²	43.4	17%	0.174	22%	0.221	C	C	.	.	S	Bend	trans	-81.5	-26.7	-177.7	0	0	0	0	0	114.3	K201 R209 L214	K201-A206 HydrophobicContact CB-CB 4.38Å; K201-A206 HydrophobicContact CG-CB 4.28Å; A206-R209 PolarHBondContact O-N 3.49Å; A206-L214 HydrophobicContact CB-CD2 3.63Å
207	T	86.6	Confident	90.3	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	140.5	-171.7	50.8	0	0	0	0	112.2	W204 R209	W204-T207 HydrophobicContact CE3-CG2 3.6Å; W204-T207 HydrophobicContact CZ3-CG2 3.85Å; W204-T207 PolarHBondContact O-OG1 3.28Å; T207-R209 PolarHBondContact O-N 2.92Å; T207-R209 VanDerWaalsContact O-N 3.16Å; T207-R209 PolarHBondContact O-NH1 2.89Å
208	G	85.9	Confident	90.4	Very high	92 Å²	92	43.1 Å²	43.1	95%	0.948	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	10.9	179.2	0	0	0	0	0	115.3
209	R	89.1	Confident	90.6	Very high	55 Å²	55	38.1 Å²	38.1	21%	0.208	20%	0.196	C	C	.	.	S	Bend	trans	-122.7	164.1	-172.8	-69.5	158.1	169.9	79.9	5.2	111.8	I205 A206 T207 L214 R249 E252 P278	I205-R209 WeakPolarHBondContact O-CD 3.4Å; I205-R209 PolarHBondContact O-NE 3Å; A206-R209 PolarHBondContact O-N 3.49Å; T207-R209 PolarHBondContact O-N 2.92Å; T207-R209 VanDerWaalsContact O-N 3.16Å; T207-R209 PolarHBondContact O-NH1 2.89Å; R209-L214 HydrophobicContact CB-CD1 4.02Å; R209-R249 VanDerWaalsContact CD-NH1 3.35Å; R209-E252 IonicContact CZ-OE2 2.74Å; R209-E252 IonicContact NE-OE1 3.96Å; R209-E252 IonicContact NE-OE2 3.16Å; R209-E252 PolarHBondContact NE-OE2 3.38Å; R209-E252 IonicContact NH2-OE1 2.88Å; R209-E252 PolarHBondContact NH2-OE1 2.91Å; R209-E252 IonicContact NH2-OE2 3.45Å; R209-P278 VanDerWaalsContact NH2-CB 3.27Å; R209-P278 VanDerWaalsContact NH2-CG 3.28Å
210	R	89	Confident	90.9	Very high	180 Å²	180	37.4 Å²	37.4	68%	0.679	19%	0.194	S	C	*	.			trans	-77.6	126.5	177.5	-67.9	177.5	175.7	-127.3	1	109.9	S212 G213	R210-S212 VanDerWaalsContact C-N 3.31Å; R210-S212 PolarHBondContact O-N 3.4Å; R210-G213 PolarHBondContact O-N 3.3Å
211	P	90.9	Very high	91	Very high	36 Å²	36	38.8 Å²	38.8	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-34.6	-175.2	22.2	-33.1	0	0	0	113.4	P169 Y172 G213 L214 A215	P169-P211 HydrophobicContact CB-CB 3.52Å; P169-P211 WeakPolarHBondContact CB-O 3.47Å; P169-P211 HydrophobicContact CG-CB 3.73Å; Y172-P211 HydrophobicContact CD2-CB 4.41Å; Y172-P211 HydrophobicContact CE2-CB 3.98Å; Y172-P211 HydrophobicContact CE2-CG 3.91Å; P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.89Å; P211-L214 PolarHBondContact O-N 3.43Å; P211-L214 VanDerWaalsContact O-N 3.14Å; P211-A215 PolarHBondContact O-N 3.47Å
212	S	92.2	Very high	91.2	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-39.5	179.2	-165.2	0	0	0	0	113	M134 R210 L214 A215 A216 A239	M134-S212 WeakPolarHBondContact CE-OG 3.35Å; R210-S212 VanDerWaalsContact C-N 3.31Å; R210-S212 PolarHBondContact O-N 3.4Å; S212-L214 PolarHBondContact O-N 3.06Å; S212-A215 PolarHBondContact O-N 3.45Å; S212-A216 WeakPolarHBondContact O-CB 3.41Å; S212-A216 PolarHBondContact O-N 2.79Å; S212-A239 PolarHBondContact OG-O 3.5Å
213	G	92.9	Very high	91.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-37.2	179.8	0	0	0	0	0	113.8	R210 P211 A217	R210-G213 PolarHBondContact O-N 3.3Å; P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.89Å; G213-A217 PolarHBondContact O-N 3.17Å
214	L	93.6	Very high	91.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-73.7	-42.5	176.7	-84.8	84.6	0	0	0	111.6	L197 A206 R209 P211 S212 A216 A217 A218 R249	L197-L214 HydrophobicContact CD1-CB 3.71Å; L197-L214 HydrophobicContact CD1-CD2 4.48Å; A206-L214 HydrophobicContact CB-CD2 3.63Å; R209-L214 HydrophobicContact CB-CD1 4.02Å; P211-L214 PolarHBondContact O-N 3.43Å; P211-L214 VanDerWaalsContact O-N 3.14Å; S212-L214 PolarHBondContact O-N 3.06Å; L214-A216 VanDerWaalsContact C-N 3.28Å; L214-A216 PolarHBondContact O-N 2.65Å; L214-A217 PolarHBondContact O-N 3.38Å; L214-A218 WeakPolarHBondContact O-CB 3.21Å; L214-A218 PolarHBondContact O-N 2.88Å; L214-R249 HydrophobicContact CD1-CG 4.48Å
215	A	93.8	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-42.8	176.4	0	0	0	0	0	111.3	P169 I173 F176 P211 S212 L219	P169-A215 HydrophobicContact CB-CB 4.49Å; I173-A215 HydrophobicContact CD1-CB 3.88Å; F176-A215 HydrophobicContact CD2-CB 4.16Å; F176-A215 HydrophobicContact CE2-CB 3.99Å; P211-A215 PolarHBondContact O-N 3.47Å; S212-A215 PolarHBondContact O-N 3.45Å; A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.47Å
216	A	94.7	Very high	92.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-48.8	174.3	0	0	0	0	0	112.9	S212 L214 L219 L220 V235 A239 I241	S212-A216 WeakPolarHBondContact O-CB 3.41Å; S212-A216 PolarHBondContact O-N 2.79Å; L214-A216 VanDerWaalsContact C-N 3.28Å; L214-A216 PolarHBondContact O-N 2.65Å; A216-L219 PolarHBondContact O-N 3.48Å; A216-L220 PolarHBondContact O-N 3.39Å; A216-V235 HydrophobicContact CB-CG1 3.88Å; A216-V235 WeakPolarHBondContact O-CG1 3.41Å; A216-A239 HydrophobicContact CB-CB 3.7Å; A216-I241 HydrophobicContact CB-CD1 3.53Å
217	A	94.5	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-45.6	178.9	0	0	0	0	0	112.1	G213 L214 L219 L220 V221 R249 L250	G213-A217 PolarHBondContact O-N 3.17Å; L214-A217 PolarHBondContact O-N 3.38Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 3.37Å; A217-L220 PolarHBondContact O-N 2.94Å; A217-V221 WeakPolarHBondContact O-CG2 3.46Å; A217-V221 PolarHBondContact O-N 3.32Å; A217-V221 VanDerWaalsContact O-N 3.16Å; A217-R249 HydrophobicContact CB-CB 3.75Å; A217-L250 HydrophobicContact CB-CG 4.04Å
218	A	94.6	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-40.9	176.8	0	0	0	0	0	111.9	L196 L197 M200 L214 V221 A222	L196-A218 HydrophobicContact CB-CB 4.34Å; L197-A218 HydrophobicContact CB-CB 4.06Å; L197-A218 HydrophobicContact CD1-CB 4.02Å; M200-A218 HydrophobicContact CE-CB 4.24Å; M200-A218 HydrophobicContact SD-CB 4.09Å; L214-A218 WeakPolarHBondContact O-CB 3.21Å; L214-A218 PolarHBondContact O-N 2.88Å; A218-V221 PolarHBondContact O-N 2.93Å; A218-A222 WeakPolarHBondContact O-CB 3.2Å; A218-A222 PolarHBondContact O-N 2.98Å
219	L	94.3	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-36.3	179	-166.1	61.2	0	0	0	112.5	F176 A177 L180 F182 V189 A193 A215 A216 A217 A222 A223	F176-L219 HydrophobicContact CB-CD2 3.46Å; F176-L219 VanDerWaalsContact CB-CD2 3.46Å; A177-L219 HydrophobicContact CB-CD1 4.08Å; L180-L219 HydrophobicContact CD1-CD2 3.38Å; L180-L219 HydrophobicContact CD1-CG 3.79Å; F182-L219 HydrophobicContact CE2-CD1 4.06Å; F182-L219 HydrophobicContact CE2-CG 4.41Å; F182-L219 HydrophobicContact CZ-CD1 4.45Å; F182-L219 HydrophobicContact CZ-CG 4.44Å; V189-L219 HydrophobicContact CG1-CD1 4.16Å; A193-L219 HydrophobicContact CB-CD1 3.91Å; A215-L219 VanDerWaalsContact O-CB 3.25Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 3.47Å; A216-L219 PolarHBondContact O-N 3.48Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 3.37Å; L219-A222 PolarHBondContact O-N 3.44Å; L219-A223 VanDerWaalsContact O-CB 3.27Å; L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 2.93Å
220	L	94.1	Very high	92.8	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-44	174.8	-173.9	72.8	0	0	0	111.8	A216 A217 A223 R224 R230 E232 V235 L250	A216-L220 PolarHBondContact O-N 3.39Å; A217-L220 PolarHBondContact O-N 2.94Å; L220-A223 PolarHBondContact O-N 3.27Å; L220-R224 WeakPolarHBondContact O-CG 3.45Å; L220-R224 PolarHBondContact O-N 3.23Å; L220-R224 VanDerWaalsContact O-N 3.13Å; L220-R230 WeakPolarHBondContact CD1-O 3.5Å; L220-E232 HydrophobicContact CD2-CG 3.53Å; L220-V235 HydrophobicContact CB-CG2 4.44Å; L220-V235 HydrophobicContact CD1-CG2 3.82Å; L220-L250 HydrophobicContact CD2-CD1 3.43Å; L220-L250 VanDerWaalsContact CD2-CD1 3.43Å; L220-L250 HydrophobicContact CD2-CD2 4.07Å; L220-L250 HydrophobicContact CD2-CG 4.4Å
221	V	93.8	Very high	93	Very high	33 Å²	33	37.5 Å²	37.5	20%	0.2	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.6	177.6	0	0	0	0	110.4	L196 A217 A218 A223 R224 I225 L250	L196-V221 HydrophobicContact CD1-CB 4.01Å; L196-V221 HydrophobicContact CD1-CG1 3.76Å; L196-V221 HydrophobicContact CD2-CG1 4.26Å; A217-V221 WeakPolarHBondContact O-CG2 3.46Å; A217-V221 PolarHBondContact O-N 3.32Å; A217-V221 VanDerWaalsContact O-N 3.16Å; A218-V221 PolarHBondContact O-N 2.93Å; V221-A223 VanDerWaalsContact C-N 3.35Å; V221-A223 PolarHBondContact O-N 3.22Å; V221-R224 PolarHBondContact O-N 2.78Å; V221-I225 HydrophobicContact CG1-CD1 4.04Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.14Å; V221-L250 HydrophobicContact CG2-CD2 3.56Å
222	A	94.2	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-41.9	176.9	0	0	0	0	0	112.5	V189 T192 A193 L196 A218 L219 R224 I225 H226	V189-A222 HydrophobicContact CG1-CB 4.04Å; T192-A222 HydrophobicContact CG2-CB 4.14Å; A193-A222 HydrophobicContact CB-CB 3.61Å; L196-A222 HydrophobicContact CD1-CB 4Å; A218-A222 WeakPolarHBondContact O-CB 3.2Å; A218-A222 PolarHBondContact O-N 2.98Å; L219-A222 PolarHBondContact O-N 3.44Å; A222-R224 VanDerWaalsContact C-N 3.32Å; A222-R224 PolarHBondContact O-N 3.47Å; A222-I225 PolarHBondContact O-N 3.22Å; A222-H226 PolarHBondContact O-CD2 3.31Å; A222-H226 VanDerWaalsContact O-CD2 3.28Å; A222-H226 PolarHBondContact O-N 3.25Å
223	A	94.6	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-45.8	175.8	0	0	0	0	0	111	F182 L219 L220 V221 H226 E227 F228 R230	F182-A223 HydrophobicContact CE1-CB 3.67Å; F182-A223 HydrophobicContact CZ-CB 3.84Å; L219-A223 VanDerWaalsContact O-CB 3.27Å; L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 2.93Å; L220-A223 PolarHBondContact O-N 3.27Å; V221-A223 VanDerWaalsContact C-N 3.35Å; V221-A223 PolarHBondContact O-N 3.22Å; A223-H226 CarbonylContact O-C 3.57Å; A223-H226 PolarHBondContact O-N 2.68Å; A223-E227 PolarHBondContact O-N 3.28Å; A223-F228 CarbonylContact C-O 3.57Å; A223-F228 HydrophobicContact CB-CB 4.17Å; A223-F228 WeakPolarHBondContact O-CA 3.37Å; A223-F228 WeakPolarHBondContact O-CB 3.37Å; A223-F228 PolarHBondContact O-N 2.79Å; A223-R230 HydrophobicContact CB-CG 4.35Å
224	R	92.9	Very high	93	Very high	125 Å²	125	45 Å²	45	47%	0.472	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-36.9	178.1	-70.2	178.9	-178.1	175.6	3	113.3	L220 V221 A222 H226 E227 E232	L220-R224 WeakPolarHBondContact O-CG 3.45Å; L220-R224 PolarHBondContact O-N 3.23Å; L220-R224 VanDerWaalsContact O-N 3.13Å; V221-R224 PolarHBondContact O-N 2.78Å; A222-R224 VanDerWaalsContact C-N 3.32Å; A222-R224 PolarHBondContact O-N 3.47Å; R224-H226 PolarHBondContact O-N 2.89Å; R224-E227 PolarHBondContact O-N 3.31Å; R224-E227 VanDerWaalsContact O-N 3.13Å; R224-E232 IonicContact NH2-OE1 3.98Å
225	I	92.3	Very high	93	Very high	38 Å²	38	45 Å²	45	20%	0.195	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-36	175.4	-70.9	167.9	0	0	0	111.4	T192 L196 V221 A222 E227 I263 F267	T192-I225 HydrophobicContact CG2-CD1 4.1Å; T192-I225 HydrophobicContact CG2-CG2 4.49Å; L196-I225 HydrophobicContact CD1-CD1 4.05Å; V221-I225 HydrophobicContact CG1-CD1 4.04Å; V221-I225 WeakPolarHBondContact O-CG1 3.43Å; V221-I225 PolarHBondContact O-N 3.14Å; A222-I225 PolarHBondContact O-N 3.22Å; I225-E227 VanDerWaalsContact C-N 3.31Å; I225-I263 HydrophobicContact CG2-CG2 3.79Å; I225-F267 HydrophobicContact CG2-CE2 4.29Å; I225-F267 HydrophobicContact CG2-CZ 4.31Å
226	H	91.8	Very high	93	Very high	38 Å²	38	45.2 Å²	45.2	18%	0.176	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	19.6	178.2	-68.7	-75.9	0	0	0	113.4	V189 T192 A222 A223 R224 F228	V189-H226 HydrophobicContact CG2-CB 3.76Å; T192-H226 PolarHBondContact OG1-NE2 3.5Å; A222-H226 PolarHBondContact O-CD2 3.31Å; A222-H226 VanDerWaalsContact O-CD2 3.28Å; A222-H226 PolarHBondContact O-N 3.25Å; A223-H226 CarbonylContact O-C 3.57Å; A223-H226 PolarHBondContact O-N 2.68Å; R224-H226 PolarHBondContact O-N 2.89Å; H226-F228 VanDerWaalsContact C-N 3.26Å; H226-F228 HydrophobicContact CB-CD2 3.93Å; H226-F228 HydrophobicContact CB-CE2 4.17Å; H226-F228 WeakPolarHBondContact O-CD2 3.39Å; H226-F228 PolarHBondContact O-N 3.26Å
227	E	91.2	Very high	93	Very high	162 Å²	162	53.1 Å²	53.1	76%	0.757	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	19.1	175.9	-52.8	173.1	161.6	0	0	114.9	A223 R224 I225	A223-E227 PolarHBondContact O-N 3.28Å; R224-E227 PolarHBondContact O-N 3.31Å; R224-E227 VanDerWaalsContact O-N 3.13Å; I225-E227 VanDerWaalsContact C-N 3.31Å
228	F	92.4	Very high	92.9	Very high	47 Å²	47	54.6 Å²	54.6	21%	0.206	25%	0.254	C	S	.	.			trans	-91.2	104.2	170.8	-65.3	-77.7	0	0	0	110.7	F182 K185 V189 A223 H226 R230	F182-F228 HydrophobicContact CB-CE2 4.2Å; F182-F228 HydrophobicContact CB-CZ 4.21Å; F182-F228 HydrophobicContact CD1-CB 3.99Å; F182-F228 HydrophobicContact CD1-CD1 4.13Å; F182-F228 AromaticContact CD1-CD2 3.88Å; F182-F228 HydrophobicContact CD1-CD2 3.88Å; F182-F228 HydrophobicContact CD1-CE2 4.37Å; F182-F228 AromaticContact CD1-CG 3.74Å; F182-F228 HydrophobicContact CD1-CG 3.74Å; F182-F228 HydrophobicContact CE1-CB 4.04Å; F182-F228 HydrophobicContact CE1-CG 4.3Å; F182-F228 VanDerWaalsContact O-CZ 3.29Å; F182-F228 WeakPolarHBondContact O-CZ 3.44Å; K185-F228 HydrophobicContact CB-CE2 3.77Å; K185-F228 HydrophobicContact CB-CZ 4.01Å; K185-F228 HydrophobicContact CD-CE2 3.76Å; K185-F228 HydrophobicContact CD-CZ 3.97Å; K185-F228 HydrophobicContact CG-CE2 4.35Å; K185-F228 HydrophobicContact CG-CZ 4.41Å; V189-F228 HydrophobicContact CG2-CD2 4.13Å; V189-F228 HydrophobicContact CG2-CE2 4.14Å; A223-F228 CarbonylContact C-O 3.57Å; A223-F228 HydrophobicContact CB-CB 4.17Å; A223-F228 WeakPolarHBondContact O-CA 3.37Å; A223-F228 WeakPolarHBondContact O-CB 3.37Å; A223-F228 PolarHBondContact O-N 2.79Å; H226-F228 VanDerWaalsContact C-N 3.26Å; H226-F228 HydrophobicContact CB-CD2 3.93Å; H226-F228 HydrophobicContact CB-CE2 4.17Å; H226-F228 WeakPolarHBondContact O-CD2 3.39Å; H226-F228 PolarHBondContact O-N 3.26Å; F228-R230 VanDerWaalsContact C-N 3.25Å; F228-R230 HydrophobicContact CB-CG 4.48Å; F228-R230 PolarHBondContact O-N 2.75Å
229	N	90	Very high	92.8	Very high	144 Å²	144	54.6 Å²	54.6	77%	0.77	25%	0.254	S	S	*	.			trans	-79.3	68.9	177.5	-67.4	-29.5	0	0	0	111.8
230	R	90.8	Very high	92.7	Very high	80 Å²	80	61.1 Å²	61.1	30%	0.302	28%	0.279	S	S	.	.			trans	-78.4	144.1	171.5	-58.3	-56.1	-175.4	-161.2	1.4	110.6	L180 E181 F182 L220 A223 F228 V235	L180-R230 HydrophobicContact CD2-CG 4.43Å; L180-R230 PolarHBondContact O-NE 3.28Å; L180-R230 PolarHBondContact O-NH2 3.14Å; L180-R230 VanDerWaalsContact O-NH2 3.16Å; E181-R230 PolarHBondContact O-NH2 3.45Å; F182-R230 HydrophobicContact CE1-CG 3.8Å; L220-R230 WeakPolarHBondContact CD1-O 3.5Å; A223-R230 HydrophobicContact CB-CG 4.35Å; F228-R230 VanDerWaalsContact C-N 3.25Å; F228-R230 HydrophobicContact CB-CG 4.48Å; F228-R230 PolarHBondContact O-N 2.75Å; R230-V235 HydrophobicContact CB-CG2 4.3Å
231	T	92.6	Very high	92.6	Very high	66 Å²	66	62.9 Å²	62.9	41%	0.405	29%	0.288	S	S	.	.			trans	-78.5	155.1	176.4	71.8	0	0	0	0	110.7	E233 D234 V235	T231-E233 PolarHBondContact O-N 3.29Å; T231-D234 PolarHBondContact O-N 2.97Å; T231-D234 PolarHBondContact OG1-N 3.03Å; T231-D234 VanDerWaalsContact OG1-N 3.12Å; T231-D234 PolarHBondContact OG1-OD2 3.27Å; T231-V235 PolarHBondContact O-N 2.97Å
232	E	92.4	Very high	92.6	Very high	41 Å²	41	63.9 Å²	63.9	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-30	172.6	-70.7	169.2	-167.6	0	0	111.8	L220 R224 A236 Q243 R247	L220-E232 HydrophobicContact CD2-CG 3.53Å; R224-E232 IonicContact NH2-OE1 3.98Å; E232-A236 WeakPolarHBondContact O-CB 3.44Å; E232-A236 PolarHBondContact O-N 3.42Å; E232-Q243 HydrophobicContact CB-CG 3.93Å; E232-R247 IonicContact OE2-CZ 3.31Å; E232-R247 IonicContact OE2-NE 3.12Å; E232-R247 PolarHBondContact OE2-NE 3.11Å; E232-R247 VanDerWaalsContact OE2-NE 3.1Å; E232-R247 IonicContact OE2-NH2 3.71Å; E232-R247 PolarHBondContact OE2-NH2 3.14Å
233	E	92.5	Very high	92.6	Very high	106 Å²	106	67 Å²	67	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-69.8	-42.6	-179.9	-67.6	173.8	-158.6	0	0	112	T231 A236 R237 Q243	T231-E233 PolarHBondContact O-N 3.29Å; E233-A236 PolarHBondContact O-N 2.87Å; E233-R237 VanDerWaalsContact O-CB 3.29Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 2.82Å; E233-Q243 VanDerWaalsContact CG-CD 3.45Å; E233-Q243 HydrophobicContact CG-CG 4.18Å; E233-Q243 PolarHBondContact OE1-NE2 3.09Å
234	D	92.2	Very high	92.6	Very high	58 Å²	58	70.5 Å²	70.5	31%	0.31	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-46.5	178.4	-62.3	-36	0	0	0	110.8	L180 T231 R237 I238	L180-D234 HydrophobicContact CD2-CB 4.39Å; T231-D234 PolarHBondContact O-N 2.97Å; T231-D234 PolarHBondContact OG1-N 3.03Å; T231-D234 VanDerWaalsContact OG1-N 3.12Å; T231-D234 PolarHBondContact OG1-OD2 3.27Å; D234-R237 WeakPolarHBondContact O-CB 3.47Å; D234-R237 PolarHBondContact O-N 3.1Å; D234-I238 PolarHBondContact O-N 3.19Å; D234-I238 VanDerWaalsContact O-N 3.17Å
235	V	93.4	Very high	92.6	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-41	178.8	-174.5	0	0	0	0	110.9	L180 A216 L220 R230 T231 R237 I238 A239	L180-V235 HydrophobicContact CD1-CG1 4.46Å; L180-V235 HydrophobicContact CD1-CG2 3.89Å; L180-V235 HydrophobicContact CD2-CG2 4.08Å; A216-V235 HydrophobicContact CB-CG1 3.88Å; A216-V235 WeakPolarHBondContact O-CG1 3.41Å; L220-V235 HydrophobicContact CB-CG2 4.44Å; L220-V235 HydrophobicContact CD1-CG2 3.82Å; R230-V235 HydrophobicContact CB-CG2 4.3Å; T231-V235 PolarHBondContact O-N 2.97Å; V235-R237 VanDerWaalsContact C-N 3.33Å; V235-R237 PolarHBondContact O-N 2.84Å; V235-I238 PolarHBondContact O-N 3.47Å; V235-A239 WeakPolarHBondContact O-CB 3.48Å; V235-A239 PolarHBondContact O-N 3.01Å
236	A	93.7	Very high	92.6	Very high	4 Å²	4	65.2 Å²	65.2	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-37.9	177.2	0	0	0	0	0	112.3	E232 E233 R240 I241 Q243	E232-A236 WeakPolarHBondContact O-CB 3.44Å; E232-A236 PolarHBondContact O-N 3.42Å; E233-A236 PolarHBondContact O-N 2.87Å; A236-R240 PolarHBondContact O-N 2.97Å; A236-I241 HydrophobicContact CB-CG1 4.1Å; A236-I241 PolarHBondContact O-N 2.75Å; A236-Q243 HydrophobicContact CB-CB 4.45Å
237	R	93.7	Very high	92.8	Very high	166 Å²	166	67.6 Å²	67.6	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-46.2	176.1	-170.9	-171	-50.9	-160.5	4.6	111.6	E233 D234 V235 R240	E233-R237 VanDerWaalsContact O-CB 3.29Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 2.82Å; D234-R237 WeakPolarHBondContact O-CB 3.47Å; D234-R237 PolarHBondContact O-N 3.1Å; V235-R237 VanDerWaalsContact C-N 3.33Å; V235-R237 PolarHBondContact O-N 2.84Å; R237-R240 PolarHBondContact O-N 2.82Å
238	I	92.8	Very high	92.8	Very high	32 Å²	32	65.6 Å²	65.6	16%	0.164	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-44.7	179.5	-76.2	165.8	0	0	0	111.4	F176 Q179 L180 D234 V235 R240	F176-I238 HydrophobicContact CB-CG2 3.98Å; F176-I238 HydrophobicContact CD1-CG2 3.73Å; F176-I238 HydrophobicContact CG-CG2 4.06Å; Q179-I238 HydrophobicContact CB-CD1 4.1Å; Q179-I238 HydrophobicContact CB-CG1 4.25Å; Q179-I238 HydrophobicContact CB-CG2 3.92Å; Q179-I238 WeakPolarHBondContact O-CD1 3.5Å; L180-I238 HydrophobicContact CB-CD1 4.33Å; L180-I238 HydrophobicContact CD2-CD1 3.33Å; L180-I238 HydrophobicContact CG-CD1 3.47Å; L180-I238 VanDerWaalsContact CG-CD1 3.47Å; D234-I238 PolarHBondContact O-N 3.19Å; D234-I238 VanDerWaalsContact O-N 3.17Å; V235-I238 PolarHBondContact O-N 3.47Å; I238-R240 PolarHBondContact O-N 3.36Å
239	A	92.1	Very high	92.8	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-1	177.5	0	0	0	0	0	113.9	M134 F176 S212 A216 V235 I241	M134-A239 WeakPolarHBondContact CE-O 3.41Å; F176-A239 HydrophobicContact CD2-CB 4.34Å; F176-A239 HydrophobicContact CE2-CB 3.85Å; F176-A239 HydrophobicContact CZ-CB 3.97Å; S212-A239 PolarHBondContact OG-O 3.5Å; A216-A239 HydrophobicContact CB-CB 3.7Å; V235-A239 WeakPolarHBondContact O-CB 3.48Å; V235-A239 PolarHBondContact O-N 3.01Å; A239-I241 VanDerWaalsContact C-N 3.33Å; A239-I241 HydrophobicContact CB-CD1 4.11Å; A239-I241 HydrophobicContact CB-CG1 4.09Å; A239-I241 PolarHBondContact O-N 3.4Å
240	R	92.4	Very high	92.9	Very high	137 Å²	137	59.5 Å²	59.5	52%	0.517	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	46	-178.4	-57	-67.7	-162.4	-179.3	6.9	113	L136 A236 R237 I238	L136-R240 HydrophobicContact CD2-CB 3.57Å; L136-R240 HydrophobicContact CD2-CG 4.42Å; A236-R240 PolarHBondContact O-N 2.97Å; R237-R240 PolarHBondContact O-N 2.82Å; I238-R240 PolarHBondContact O-N 3.36Å
241	I	93.4	Very high	93	Very high	39 Å²	39	60.2 Å²	60.2	20%	0.2	29%	0.289	C	S	.	.	S	Bend	trans	-127	166.5	178	61.1	-179.8	0	0	0	110.8	A216 A236 A239 A246	A216-I241 HydrophobicContact CB-CD1 3.53Å; A236-I241 HydrophobicContact CB-CG1 4.1Å; A236-I241 PolarHBondContact O-N 2.75Å; A239-I241 VanDerWaalsContact C-N 3.33Å; A239-I241 HydrophobicContact CB-CD1 4.11Å; A239-I241 HydrophobicContact CB-CG1 4.09Å; A239-I241 PolarHBondContact O-N 3.4Å; I241-A246 HydrophobicContact CD1-CB 4.04Å
242	S	92.8	Very high	92.8	Very high	54 Å²	54	58 Å²	58	38%	0.378	27%	0.274	S	S	.	.			trans	-72.5	145.6	169.4	72.3	0	0	0	0	110.9	S244 T245 A246	S242-S244 PolarHBondContact O-N 3.3Å; S242-S244 PolarHBondContact OG-OG 3.16Å; S242-T245 WeakPolarHBondContact O-CB 3.38Å; S242-T245 PolarHBondContact O-N 2.8Å; S242-T245 WeakPolarHBondContact OG-CB 3.27Å; S242-T245 PolarHBondContact OG-N 3.49Å; S242-T245 VanDerWaalsContact OG-N 3.14Å; S242-T245 PolarHBondContact OG-OG1 3.01Å; S242-A246 PolarHBondContact O-N 3.48Å
243	Q	94.2	Very high	92.8	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-55.2	-39.3	172.7	-173	-172.6	2.1	0	0	111.7	E232 E233 A236 T245 A246 R247	E232-Q243 HydrophobicContact CB-CG 3.93Å; E233-Q243 VanDerWaalsContact CG-CD 3.45Å; E233-Q243 HydrophobicContact CG-CG 4.18Å; E233-Q243 PolarHBondContact OE1-NE2 3.09Å; A236-Q243 HydrophobicContact CB-CB 4.45Å; Q243-T245 VanDerWaalsContact C-N 3.27Å; Q243-T245 PolarHBondContact O-N 3.1Å; Q243-A246 PolarHBondContact O-N 3.06Å; Q243-R247 WeakPolarHBondContact O-CB 3.36Å; Q243-R247 PolarHBondContact O-N 2.89Å
244	S	95	Very high	92.7	Very high	74 Å²	74	53.8 Å²	53.8	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-34.6	175.5	57.5	0	0	0	0	113.2	S242 K248	S242-S244 PolarHBondContact O-N 3.3Å; S242-S244 PolarHBondContact OG-OG 3.16Å; S244-K248 WeakPolarHBondContact O-CB 3.27Å; S244-K248 PolarHBondContact O-N 3.21Å
245	T	93.6	Very high	92.4	Very high	49 Å²	49	58.3 Å²	58.3	30%	0.301	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-45	177	-60.2	0	0	0	0	110.5	S242 Q243 K248 R249	S242-T245 WeakPolarHBondContact O-CB 3.38Å; S242-T245 PolarHBondContact O-N 2.8Å; S242-T245 WeakPolarHBondContact OG-CB 3.27Å; S242-T245 PolarHBondContact OG-N 3.49Å; S242-T245 VanDerWaalsContact OG-N 3.14Å; S242-T245 PolarHBondContact OG-OG1 3.01Å; Q243-T245 VanDerWaalsContact C-N 3.27Å; Q243-T245 PolarHBondContact O-N 3.1Å; T245-K248 PolarHBondContact O-N 3.22Å; T245-R249 WeakPolarHBondContact O-CG 3.43Å; T245-R249 PolarHBondContact O-N 2.92Å
246	A	92.3	Very high	92.1	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-49.1	176.1	0	0	0	0	0	110.7	I241 S242 Q243 K248 R249 L250	I241-A246 HydrophobicContact CD1-CB 4.04Å; S242-A246 PolarHBondContact O-N 3.48Å; Q243-A246 PolarHBondContact O-N 3.06Å; A246-K248 PolarHBondContact O-N 3.38Å; A246-R249 PolarHBondContact O-N 2.77Å; A246-R249 VanDerWaalsContact O-N 3.09Å; A246-L250 WeakPolarHBondContact O-CD1 3.41Å; A246-L250 PolarHBondContact O-N 2.85Å
247	R	94.5	Very high	91.7	Very high	89 Å²	89	61.5 Å²	61.5	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-45.9	177.7	-173.2	177.9	-59.6	128.3	6.4	112.6	E232 Q243 R249 L250 E251	E232-R247 IonicContact OE2-CZ 3.31Å; E232-R247 IonicContact OE2-NE 3.12Å; E232-R247 PolarHBondContact OE2-NE 3.11Å; E232-R247 VanDerWaalsContact OE2-NE 3.1Å; E232-R247 IonicContact OE2-NH2 3.71Å; E232-R247 PolarHBondContact OE2-NH2 3.14Å; Q243-R247 WeakPolarHBondContact O-CB 3.36Å; Q243-R247 PolarHBondContact O-N 2.89Å; R247-R249 VanDerWaalsContact C-N 3.25Å; R247-R249 PolarHBondContact O-N 3.23Å; R247-L250 WeakPolarHBondContact O-CB 3.39Å; R247-L250 PolarHBondContact O-N 3.44Å; R247-L250 VanDerWaalsContact O-N 3.09Å; R247-E251 HydrophobicContact CG-CG 4.41Å; R247-E251 WeakPolarHBondContact CG-OE1 3.46Å; R247-E251 WeakPolarHBondContact O-CG 3.18Å; R247-E251 PolarHBondContact O-N 3.03Å
248	K	92.6	Very high	91.3	Very high	119 Å²	119	54 Å²	54	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-38.1	176.4	-175.1	171	-177	170.3	0	112.1	S244 T245 A246 E252	S244-K248 WeakPolarHBondContact O-CB 3.27Å; S244-K248 PolarHBondContact O-N 3.21Å; T245-K248 PolarHBondContact O-N 3.22Å; A246-K248 PolarHBondContact O-N 3.38Å; K248-E252 WeakPolarHBondContact O-CB 3.46Å; K248-E252 VanDerWaalsContact O-CG 3.27Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 3.06Å
249	R	92	Very high	91	Very high	36 Å²	36	55 Å²	55	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-71	-37.9	175.8	-59.1	-56.1	164.7	-143.6	-3.3	112.5	R209 L214 A217 T245 A246 R247 E252 F253	R209-R249 VanDerWaalsContact CD-NH1 3.35Å; L214-R249 HydrophobicContact CD1-CG 4.48Å; A217-R249 HydrophobicContact CB-CB 3.75Å; T245-R249 WeakPolarHBondContact O-CG 3.43Å; T245-R249 PolarHBondContact O-N 2.92Å; A246-R249 PolarHBondContact O-N 2.77Å; A246-R249 VanDerWaalsContact O-N 3.09Å; R247-R249 VanDerWaalsContact C-N 3.25Å; R247-R249 PolarHBondContact O-N 3.23Å; R249-E252 WeakPolarHBondContact CD-OE2 3.43Å; R249-E252 IonicContact CZ-OE2 3.34Å; R249-E252 IonicContact NH1-OE1 3.1Å; R249-E252 PolarHBondContact NH1-OE1 3Å; R249-E252 IonicContact NH1-OE2 2.75Å; R249-E252 PolarHBondContact NH1-OE2 3.21Å; R249-E252 PolarHBondContact O-N 3.12Å; R249-F253 WeakPolarHBondContact O-CB 3.3Å; R249-F253 PolarHBondContact O-N 3.41Å
250	L	91.7	Very high	90.7	Very high	28 Å²	28	59.2 Å²	59.2	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-44.2	172.6	-79.8	141.3	0	0	0	111.7	A217 L220 V221 A246 R247 F253 G254	A217-L250 HydrophobicContact CB-CG 4.04Å; L220-L250 HydrophobicContact CD2-CD1 3.43Å; L220-L250 VanDerWaalsContact CD2-CD1 3.43Å; L220-L250 HydrophobicContact CD2-CD2 4.07Å; L220-L250 HydrophobicContact CD2-CG 4.4Å; V221-L250 HydrophobicContact CG2-CD2 3.56Å; A246-L250 WeakPolarHBondContact O-CD1 3.41Å; A246-L250 PolarHBondContact O-N 2.85Å; R247-L250 WeakPolarHBondContact O-CB 3.39Å; R247-L250 PolarHBondContact O-N 3.44Å; R247-L250 VanDerWaalsContact O-N 3.09Å; L250-F253 PolarHBondContact O-N 3.32Å; L250-G254 PolarHBondContact O-N 3.22Å
251	E	92.1	Very high	90.3	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-37	176.1	-70.6	174.1	-161.3	0	0	112.7	R247 G254 R255	R247-E251 HydrophobicContact CG-CG 4.41Å; R247-E251 WeakPolarHBondContact CG-OE1 3.46Å; R247-E251 WeakPolarHBondContact O-CG 3.18Å; R247-E251 PolarHBondContact O-N 3.03Å; E251-G254 PolarHBondContact O-N 3.3Å; E251-R255 VanDerWaalsContact C-NH1 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.23Å; E251-R255 PolarHBondContact O-N 3Å; E251-R255 PolarHBondContact O-NH1 3.5Å
252	E	90.3	Very high	90.1	Very high	20 Å²	20	56.1 Å²	56.1	9%	0.093	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-47.4	172.8	-77.7	172.8	-180	0	0	110.2	I205 R209 K248 R249 G254 R255 T256 P278	I205-E252 HydrophobicContact CG2-CB 4.24Å; R209-E252 IonicContact CZ-OE2 2.74Å; R209-E252 IonicContact NE-OE1 3.96Å; R209-E252 IonicContact NE-OE2 3.16Å; R209-E252 PolarHBondContact NE-OE2 3.38Å; R209-E252 IonicContact NH2-OE1 2.88Å; R209-E252 PolarHBondContact NH2-OE1 2.91Å; R209-E252 IonicContact NH2-OE2 3.45Å; K248-E252 WeakPolarHBondContact O-CB 3.46Å; K248-E252 VanDerWaalsContact O-CG 3.27Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 3.06Å; R249-E252 WeakPolarHBondContact CD-OE2 3.43Å; R249-E252 IonicContact CZ-OE2 3.34Å; R249-E252 IonicContact NH1-OE1 3.1Å; R249-E252 PolarHBondContact NH1-OE1 3Å; R249-E252 IonicContact NH1-OE2 2.75Å; R249-E252 PolarHBondContact NH1-OE2 3.21Å; R249-E252 PolarHBondContact O-N 3.12Å; E252-G254 VanDerWaalsContact C-N 3.33Å; E252-G254 PolarHBondContact O-N 3.41Å; E252-R255 PolarHBondContact O-N 3.2Å; E252-T256 PolarHBondContact O-OG1 3.22Å; E252-P278 HydrophobicContact CG-CG 4.45Å
253	F	90.9	Very high	89.7	Confident	13 Å²	13	58.2 Å²	58.2	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-35.7	175.6	-177.7	-114.3	0	0	0	112.9	L196 R199 M200 I205 R249 L250 R255 T256 S259	L196-F253 HydrophobicContact CD2-CE1 4.49Å; L196-F253 HydrophobicContact CD2-CZ 4.14Å; R199-F253 HydrophobicContact CG-CE2 4.46Å; M200-F253 HydrophobicContact CE-CB 3.99Å; M200-F253 HydrophobicContact CE-CD1 3.74Å; M200-F253 HydrophobicContact CE-CD2 3.76Å; M200-F253 HydrophobicContact CE-CE1 4.12Å; M200-F253 HydrophobicContact CE-CE2 4.12Å; M200-F253 HydrophobicContact CE-CG 3.54Å; M200-F253 HydrophobicContact CE-CZ 4.29Å; M200-F253 HydrophobicContact CG-CD2 3.57Å; M200-F253 HydrophobicContact CG-CE2 3.82Å; M200-F253 HydrophobicContact CG-CG 4.28Å; M200-F253 HydrophobicContact SD-CD2 4.49Å; I205-F253 HydrophobicContact CD1-CB 4.24Å; I205-F253 HydrophobicContact CD1-CD2 4Å; R249-F253 WeakPolarHBondContact O-CB 3.3Å; R249-F253 PolarHBondContact O-N 3.41Å; L250-F253 PolarHBondContact O-N 3.32Å; F253-R255 PolarHBondContact O-N 3.44Å; F253-T256 WeakPolarHBondContact O-CB 3.48Å; F253-T256 PolarHBondContact O-N 3.4Å; F253-T256 VanDerWaalsContact O-N 3.07Å; F253-T256 PolarHBondContact O-OG1 3.36Å; F253-S259 WeakPolarHBondContact O-CB 3.39Å
254	G	90.4	Very high	89.2	Confident	45 Å²	45	61.9 Å²	61.9	46%	0.464	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-15.2	176.1	0	0	0	0	0	114.7	L250 E251 E252 S259	L250-G254 PolarHBondContact O-N 3.22Å; E251-G254 PolarHBondContact O-N 3.3Å; E252-G254 VanDerWaalsContact C-N 3.33Å; E252-G254 PolarHBondContact O-N 3.41Å; G254-S259 PolarHBondContact O-OG 3.09Å; G254-S259 VanDerWaalsContact O-OG 3.08Å
255	R	87.1	Confident	88.7	Confident	154 Å²	154	59.4 Å²	59.4	58%	0.581	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-14.8	173.2	-68.5	177.8	-173.3	95.2	-3.8	112.7	E251 E252 F253	E251-R255 VanDerWaalsContact C-NH1 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.23Å; E251-R255 PolarHBondContact O-N 3Å; E251-R255 PolarHBondContact O-NH1 3.5Å; E252-R255 PolarHBondContact O-N 3.2Å; F253-R255 PolarHBondContact O-N 3.44Å
256	T	86.9	Confident	88.4	Confident	12 Å²	12	57.8 Å²	57.8	7%	0.074	31%	0.312	C	S	.	.	S	Bend	trans	-78.5	140.5	179.3	-53.6	0	0	0	0	109.7	D203 E252 F253 S258 S259 Q275	D203-T256 HydrophobicContact CB-CG2 3.78Å; D203-T256 WeakPolarHBondContact OD2-CG2 3.3Å; E252-T256 PolarHBondContact O-OG1 3.22Å; F253-T256 WeakPolarHBondContact O-CB 3.48Å; F253-T256 PolarHBondContact O-N 3.4Å; F253-T256 VanDerWaalsContact O-N 3.07Å; F253-T256 PolarHBondContact O-OG1 3.36Å; T256-S258 WeakPolarHBondContact CG2-OG 3.42Å; T256-S258 PolarHBondContact O-N 3.32Å; T256-S258 VanDerWaalsContact O-N 3.1Å; T256-S259 WeakPolarHBondContact O-CB 3.46Å; T256-S259 PolarHBondContact O-N 2.93Å; T256-S259 PolarHBondContact O-OG 2.9Å; T256-Q275 HydrophobicContact CG2-CG 3.95Å
257	P	84.9	Confident	88	Confident	62 Å²	62	60.7 Å²	60.7	40%	0.403	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-56.6	-27.7	177	22.8	-34.6	0	0	0	113.2	S259 A260 Q275	P257-S259 PolarHBondContact O-N 3.46Å; P257-S259 VanDerWaalsContact O-N 3.11Å; P257-A260 WeakPolarHBondContact O-CB 3.25Å; P257-A260 PolarHBondContact O-N 3.01Å; P257-Q275 HydrophobicContact CG-CG 4.21Å
258	S	84.8	Confident	87.5	Confident	10 Å²	10	60.2 Å²	60.2	7%	0.07	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-53	-28.2	172.8	-53.4	0	0	0	0	114	R199 D203 T256 L261	R199-S258 WeakPolarHBondContact CD-OG 3.46Å; D203-S258 PolarHBondContact OD2-OG 2.91Å; T256-S258 WeakPolarHBondContact CG2-OG 3.42Å; T256-S258 PolarHBondContact O-N 3.32Å; T256-S258 VanDerWaalsContact O-N 3.1Å; S258-L261 WeakPolarHBondContact O-CG 3.49Å
259	S	87	Confident	86.7	Confident	52 Å²	52	57.3 Å²	57.3	36%	0.364	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-78.2	-21.2	178.6	68.4	0	0	0	0	114	F253 G254 T256 P257 L261	F253-S259 WeakPolarHBondContact O-CB 3.39Å; G254-S259 PolarHBondContact O-OG 3.09Å; G254-S259 VanDerWaalsContact O-OG 3.08Å; T256-S259 WeakPolarHBondContact O-CB 3.46Å; T256-S259 PolarHBondContact O-N 2.93Å; T256-S259 PolarHBondContact O-OG 2.9Å; P257-S259 PolarHBondContact O-N 3.46Å; P257-S259 VanDerWaalsContact O-N 3.11Å; S259-L261 PolarHBondContact O-N 3.44Å
260	A	85.7	Confident	85.9	Confident	88 Å²	88	61.2 Å²	61.2	73%	0.727	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-81.8	-3.9	178.2	0	0	0	0	0	112.9	P257	P257-A260 WeakPolarHBondContact O-CB 3.25Å; P257-A260 PolarHBondContact O-N 3.01Å
261	L	85.3	Confident	85	Confident	38 Å²	38	63.8 Å²	63.8	20%	0.199	36%	0.359	C	S	.	.	S	Bend	trans	-74.2	141.2	-179.5	-58.6	176.6	0	0	0	111.6	S258 S259 Y271	S258-L261 WeakPolarHBondContact O-CG 3.49Å; S259-L261 PolarHBondContact O-N 3.44Å; L261-Y271 HydrophobicContact CD1-CD2 3.44Å; L261-Y271 VanDerWaalsContact CD1-CD2 3.44Å; L261-Y271 HydrophobicContact CD1-CE2 3.21Å; L261-Y271 HydrophobicContact CD1-CG 4.33Å; L261-Y271 HydrophobicContact CD2-CD2 4.33Å; L261-Y271 HydrophobicContact CD2-CE1 4.09Å; L261-Y271 HydrophobicContact CD2-CE2 3.35Å; L261-Y271 WeakPolarHBondContact CD2-OH 3.39Å; L261-Y271 HydrophobicContact CG-CE2 3.9Å
262	S	87.6	Confident	84.3	Confident	74 Å²	74	64.9 Å²	64.9	52%	0.517	37%	0.372	S	S	.	.			trans	-66	154.4	167.3	71.1	0	0	0	0	110.3	E264 A265 F266	S262-E264 PolarHBondContact O-N 3.21Å; S262-A265 PolarHBondContact O-N 2.66Å; S262-A265 VanDerWaalsContact O-N 3.13Å; S262-A265 WeakPolarHBondContact OG-CB 3.38Å; S262-A265 PolarHBondContact OG-N 3.04Å; S262-F266 PolarHBondContact O-N 3.07Å
263	I	85.1	Confident	83.8	Confident	97 Å²	97	70.2 Å²	70.2	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-56	-42.9	-179.6	-62.1	172.3	0	0	0	110.6	I225 F266 F267	I225-I263 HydrophobicContact CG2-CG2 3.79Å; I263-F266 WeakPolarHBondContact O-CB 3.3Å; I263-F266 PolarHBondContact O-N 3.36Å; I263-F267 HydrophobicContact CG2-CD2 4.06Å; I263-F267 HydrophobicContact CG2-CE2 3.6Å; I263-F267 WeakPolarHBondContact O-CD2 3.47Å; I263-F267 PolarHBondContact O-N 3.36Å
264	E	84.6	Confident	83.6	Confident	143 Å²	143	75.2 Å²	75.2	67%	0.668	42%	0.42	S	S	*	.	H	α-helix	trans	-69.2	-39.8	178.5	-170.3	60	-160.3	0	0	112.5	S262 F266 F267 S268	S262-E264 PolarHBondContact O-N 3.21Å; E264-F266 VanDerWaalsContact C-N 3.29Å; E264-F266 PolarHBondContact O-N 3.11Å; E264-F267 PolarHBondContact O-N 3.03Å; E264-S268 PolarHBondContact O-N 3.38Å; E264-S268 VanDerWaalsContact O-N 3.11Å; E264-S268 PolarHBondContact O-OG 3.08Å
265	A	84.5	Confident	83.3	Confident	21 Å²	21	76.1 Å²	76.1	17%	0.174	41%	0.412	C	S	.	.	H	α-helix	trans	-63.4	-37	174.7	0	0	0	0	0	111.4	S262 F267 S268 V269	S262-A265 PolarHBondContact O-N 2.66Å; S262-A265 VanDerWaalsContact O-N 3.13Å; S262-A265 WeakPolarHBondContact OG-CB 3.38Å; S262-A265 PolarHBondContact OG-N 3.04Å; A265-F267 VanDerWaalsContact C-N 3.29Å; A265-F267 PolarHBondContact O-N 2.77Å; A265-S268 WeakPolarHBondContact CA-OG 3.4Å; A265-S268 PolarHBondContact O-N 3.14Å; A265-S268 PolarHBondContact O-OG 3.11Å; A265-V269 VanDerWaalsContact O-CB 3.31Å; A265-V269 WeakPolarHBondContact O-CB 3.15Å; A265-V269 PolarHBondContact O-N 2.86Å
266	F	85.9	Confident	83.3	Confident	16 Å²	16	73.4 Å²	73.4	7%	0.07	41%	0.41	C	S	.	.	H	α-helix	trans	-63	-34.7	176.7	177.9	-99.1	0	0	0	112.6	R195 L196 R199 S262 I263 E264	R195-F266 HydrophobicContact CB-CE1 4.39Å; R195-F266 HydrophobicContact CB-CZ 4.37Å; R195-F266 HydrophobicContact CG-CE1 4.07Å; R195-F266 HydrophobicContact CG-CZ 3.94Å; R195-F266 PolarHBondContact NH2-O 3.2Å; L196-F266 HydrophobicContact CB-CZ 4.34Å; L196-F266 HydrophobicContact CD2-CD2 4.42Å; L196-F266 HydrophobicContact CD2-CE1 3.84Å; L196-F266 HydrophobicContact CD2-CE2 3.7Å; L196-F266 HydrophobicContact CD2-CZ 3.38Å; L196-F266 HydrophobicContact CG-CE1 3.92Å; L196-F266 HydrophobicContact CG-CE2 4.45Å; L196-F266 HydrophobicContact CG-CZ 3.65Å; R199-F266 HydrophobicContact CB-CE2 4.31Å; R199-F266 HydrophobicContact CG-CE2 4.39Å; S262-F266 PolarHBondContact O-N 3.07Å; I263-F266 WeakPolarHBondContact O-CB 3.3Å; I263-F266 PolarHBondContact O-N 3.36Å; E264-F266 VanDerWaalsContact C-N 3.29Å; E264-F266 PolarHBondContact O-N 3.11Å
267	F	85.1	Confident	83.3	Confident	64 Å²	64	74.7 Å²	74.7	28%	0.281	42%	0.418	S	S	.	.	H	α-helix	trans	-81.3	-25.4	178.4	-69.8	-62.7	0	0	0	114	T192 R195 I225 I263 E264 A265	T192-F267 HydrophobicContact CG2-CE1 4Å; T192-F267 HydrophobicContact CG2-CZ 3.72Å; R195-F267 VanDerWaalsContact CZ-O 3.25Å; R195-F267 PolarHBondContact NH1-O 3.11Å; R195-F267 PolarHBondContact NH2-O 3.35Å; I225-F267 HydrophobicContact CG2-CE2 4.29Å; I225-F267 HydrophobicContact CG2-CZ 4.31Å; I263-F267 HydrophobicContact CG2-CD2 4.06Å; I263-F267 HydrophobicContact CG2-CE2 3.6Å; I263-F267 WeakPolarHBondContact O-CD2 3.47Å; I263-F267 PolarHBondContact O-N 3.36Å; E264-F267 PolarHBondContact O-N 3.03Å; A265-F267 VanDerWaalsContact C-N 3.29Å; A265-F267 PolarHBondContact O-N 2.77Å
268	S	83.2	Confident	83.2	Confident	78 Å²	78	73.1 Å²	73.1	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-99	-36	-175.2	53.6	0	0	0	0	114	E264 A265	E264-S268 PolarHBondContact O-N 3.38Å; E264-S268 VanDerWaalsContact O-N 3.11Å; E264-S268 PolarHBondContact O-OG 3.08Å; A265-S268 WeakPolarHBondContact CA-OG 3.4Å; A265-S268 PolarHBondContact O-N 3.14Å; A265-S268 PolarHBondContact O-OG 3.11Å
269	V	76.4	Confident	83.2	Confident	59 Å²	59	76.1 Å²	76.1	36%	0.358	43%	0.433	S	S	.	.			trans	-99.9	115.3	-171.7	-174.2	0	0	0	0	111	A265 Y271	A265-V269 VanDerWaalsContact O-CB 3.31Å; A265-V269 WeakPolarHBondContact O-CB 3.15Å; A265-V269 PolarHBondContact O-N 2.86Å; V269-Y271 HydrophobicContact CB-CD2 4.09Å; V269-Y271 HydrophobicContact CB-CE2 3.67Å; V269-Y271 HydrophobicContact CG1-CD2 3.68Å; V269-Y271 HydrophobicContact CG1-CE2 3.38Å; V269-Y271 HydrophobicContact CG1-CG 4.32Å; V269-Y271 PolarHBondContact O-N 2.98Å; V269-Y271 VanDerWaalsContact O-N 3.15Å
270	D	75.1	Confident	83.1	Confident	118 Å²	118	78.5 Å²	78.5	63%	0.631	44%	0.437	S	S	*	.			trans	-82.2	87.9	168.3	-78.4	-15.6	0	0	0	110	R195 T272	R195-D270 IonicContact NH2-OD1 3.41Å; R195-D270 PolarHBondContact NH2-OD1 2.71Å; D270-T272 PolarHBondContact O-N 3.41Å
271	Y	73.4	Confident	83.1	Confident	81 Å²	81	76.9 Å²	76.9	32%	0.318	42%	0.419	S	S	.	.			trans	-59.9	131.3	168.8	-71.8	-95.6	0	0	0	110.2	R199 L261 V269	R199-Y271 VanDerWaalsContact CZ-CB 3.5Å; R199-Y271 VanDerWaalsContact NH1-CB 3.29Å; R199-Y271 PolarHBondContact NH1-O 3.3Å; R199-Y271 VanDerWaalsContact NH2-CB 3.34Å; R199-Y271 PolarHBondContact NH2-O 2.92Å; L261-Y271 HydrophobicContact CD1-CD2 3.44Å; L261-Y271 VanDerWaalsContact CD1-CD2 3.44Å; L261-Y271 HydrophobicContact CD1-CE2 3.21Å; L261-Y271 HydrophobicContact CD1-CG 4.33Å; L261-Y271 HydrophobicContact CD2-CD2 4.33Å; L261-Y271 HydrophobicContact CD2-CE1 4.09Å; L261-Y271 HydrophobicContact CD2-CE2 3.35Å; L261-Y271 WeakPolarHBondContact CD2-OH 3.39Å; L261-Y271 HydrophobicContact CG-CE2 3.9Å; V269-Y271 HydrophobicContact CB-CD2 4.09Å; V269-Y271 HydrophobicContact CB-CE2 3.67Å; V269-Y271 HydrophobicContact CG1-CD2 3.68Å; V269-Y271 HydrophobicContact CG1-CE2 3.38Å; V269-Y271 HydrophobicContact CG1-CG 4.32Å; V269-Y271 PolarHBondContact O-N 2.98Å; V269-Y271 VanDerWaalsContact O-N 3.15Å
272	T	77.2	Confident	83	Confident	117 Å²	117	77.2 Å²	77.2	72%	0.718	43%	0.427	S	S	*	.			trans	-105.1	-13.6	176.6	53.5	0	0	0	0	112.9	D270 E274	D270-T272 PolarHBondContact O-N 3.41Å; T272-E274 PolarHBondContact O-N 3.44Å
273	E	79.8	Confident	82.9	Confident	132 Å²	132	76 Å²	76	62%	0.617	42%	0.418	S	S	*	.			trans	-65.2	125.1	178.6	-65.1	177.1	-174.7	0	0	109.9
274	E	85.8	Confident	83	Confident	118 Å²	118	74.9 Å²	74.9	55%	0.551	41%	0.412	S	S	*	.			trans	-92.7	161.8	174.6	-62	-175.4	-171.4	0	0	109.6	W204 T272	W204-E274 PolarHBondContact NE1-OE2 3.19Å; T272-E274 PolarHBondContact O-N 3.44Å
275	Q	85	Confident	82.8	Confident	64 Å²	64	73 Å²	73	30%	0.299	40%	0.401	S	S	.	.			trans	-122	158.2	178.9	-62.6	-62.8	-61.4	0	0	110.4	D203 W204 T256 P257	D203-Q275 HydrophobicContact CB-CB 4.26Å; D203-Q275 HydrophobicContact CB-CG 4.38Å; W204-Q275 WeakPolarHBondContact CB-O 3.42Å; T256-Q275 HydrophobicContact CG2-CG 3.95Å; P257-Q275 HydrophobicContact CG-CG 4.21Å
276	D	86.1	Confident	82.8	Confident	98 Å²	98	78.1 Å²	78.1	52%	0.524	42%	0.422	S	S	.	.			trans	-71.3	146.3	178.1	-67.3	-39.1	0	0	0	112	F280 V281	D276-F280 HydrophobicContact CB-CB 4.5Å; D276-F280 HydrophobicContact CB-CD1 3.69Å; D276-F280 HydrophobicContact CB-CE1 4.42Å; D276-F280 HydrophobicContact CB-CG 4.47Å; D276-V281 HydrophobicContact CB-CG2 4.13Å
277	P	86.6	Confident	82.7	Confident	39 Å²	39	82 Å²	82	25%	0.253	44%	0.44	S	S	.	.			trans	-61.9	143.3	177.4	24.2	-32.6	0	0	0	110.5	W204 A279 F280 V281	W204-P277 HydrophobicContact CB-CB 4.1Å; P277-A279 PolarHBondContact O-N 3.29Å; P277-F280 HydrophobicContact CG-CB 4.05Å; P277-F280 WeakPolarHBondContact O-CB 3.45Å; P277-F280 PolarHBondContact O-N 3.47Å; P277-V281 PolarHBondContact O-N 3.28Å
278	P	83.5	Confident	82.6	Confident	29 Å²	29	82.2 Å²	82.2	19%	0.188	44%	0.444	C	S	.	.	H	α-helix	trans	-64.5	-17.4	-172.6	-20.7	28.3	0	0	0	115.3	R209 E252 F280 A282	R209-P278 VanDerWaalsContact NH2-CB 3.27Å; R209-P278 VanDerWaalsContact NH2-CG 3.28Å; E252-P278 HydrophobicContact CG-CG 4.45Å; P278-F280 VanDerWaalsContact C-N 3.34Å; P278-A282 WeakPolarHBondContact O-CB 3.31Å; P278-A282 PolarHBondContact O-N 3.38Å
279	A	84.7	Confident	82.7	Confident	73 Å²	73	84.6 Å²	84.6	60%	0.603	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-36.6	171.7	0	0	0	0	0	111.8	P277 S283	P277-A279 PolarHBondContact O-N 3.29Å; A279-S283 PolarHBondContact O-N 3Å; A279-S283 VanDerWaalsContact O-N 3.14Å
280	F	85.4	Confident	83	Confident	101 Å²	101	88.7 Å²	88.7	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-69.1	-47.5	175.4	-178	-101.2	0	0	0	110.9	D276 P277 P278 A282 S283 M284	D276-F280 HydrophobicContact CB-CB 4.5Å; D276-F280 HydrophobicContact CB-CD1 3.69Å; D276-F280 HydrophobicContact CB-CE1 4.42Å; D276-F280 HydrophobicContact CB-CG 4.47Å; P277-F280 HydrophobicContact CG-CB 4.05Å; P277-F280 WeakPolarHBondContact O-CB 3.45Å; P277-F280 PolarHBondContact O-N 3.47Å; P278-F280 VanDerWaalsContact C-N 3.34Å; F280-A282 VanDerWaalsContact C-N 3.25Å; F280-A282 PolarHBondContact O-N 2.98Å; F280-S283 PolarHBondContact O-N 2.99Å; F280-S283 VanDerWaalsContact O-N 3.11Å; F280-M284 HydrophobicContact CD1-CG 4.11Å; F280-M284 HydrophobicContact CE1-CG 3.77Å; F280-M284 HydrophobicContact CE1-SD 4.36Å; F280-M284 HydrophobicContact CE2-CG 4.46Å; F280-M284 HydrophobicContact CZ-CG 3.96Å; F280-M284 HydrophobicContact CZ-SD 4.05Å; F280-M284 WeakPolarHBondContact O-CG 3.37Å; F280-M284 PolarHBondContact O-N 3.14Å
281	V	84.8	Confident	83.2	Confident	55 Å²	55	87.1 Å²	87.1	33%	0.333	45%	0.45	S	S	.	.	H	α-helix	trans	-59.2	-36.7	176.7	-179.1	0	0	0	0	111.8	D276 P277 K285	D276-V281 HydrophobicContact CB-CG2 4.13Å; P277-V281 PolarHBondContact O-N 3.28Å; V281-K285 HydrophobicContact CG1-CD 4.47Å; V281-K285 WeakPolarHBondContact O-CG 3.27Å; V281-K285 PolarHBondContact O-N 3.24Å; V281-K285 VanDerWaalsContact O-N 3.09Å
282	A	83.8	Confident	83.4	Confident	45 Å²	45	91.1 Å²	91.1	37%	0.372	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-42.4	175.8	0	0	0	0	0	112.5	P278 F280 K285 Q286	P278-A282 WeakPolarHBondContact O-CB 3.31Å; P278-A282 PolarHBondContact O-N 3.38Å; F280-A282 VanDerWaalsContact C-N 3.25Å; F280-A282 PolarHBondContact O-N 2.98Å; A282-K285 PolarHBondContact O-N 3.12Å; A282-Q286 WeakPolarHBondContact O-CG 3.27Å; A282-Q286 PolarHBondContact O-N 3.38Å; A282-Q286 VanDerWaalsContact O-N 3.09Å
283	S	85.1	Confident	83.5	Confident	48 Å²	48	90 Å²	90	34%	0.336	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-47.3	175.3	-162	0	0	0	0	111.1	A279 F280 K285 Q286 E287	A279-S283 PolarHBondContact O-N 3Å; A279-S283 VanDerWaalsContact O-N 3.14Å; F280-S283 PolarHBondContact O-N 2.99Å; F280-S283 VanDerWaalsContact O-N 3.11Å; S283-K285 VanDerWaalsContact C-N 3.31Å; S283-K285 PolarHBondContact O-N 2.74Å; S283-Q286 PolarHBondContact O-N 2.64Å; S283-Q286 VanDerWaalsContact O-N 3.1Å; S283-E287 WeakPolarHBondContact O-CG 3.28Å; S283-E287 PolarHBondContact O-N 3.29Å; S283-E287 PolarHBondContact OG-OE1 2.75Å
284	M	86	Confident	83.2	Confident	73 Å²	73	87.1 Å²	87.1	36%	0.36	45%	0.454	S	S	.	.	H	α-helix	trans	-56.5	-44.2	177.1	-75.1	-64.7	-55.9	0	0	111.9	F280 Q286 E287 D288	F280-M284 HydrophobicContact CD1-CG 4.11Å; F280-M284 HydrophobicContact CE1-CG 3.77Å; F280-M284 HydrophobicContact CE1-SD 4.36Å; F280-M284 HydrophobicContact CE2-CG 4.46Å; F280-M284 HydrophobicContact CZ-CG 3.96Å; F280-M284 HydrophobicContact CZ-SD 4.05Å; F280-M284 WeakPolarHBondContact O-CG 3.37Å; F280-M284 PolarHBondContact O-N 3.14Å; M284-Q286 PolarHBondContact O-N 2.84Å; M284-E287 PolarHBondContact O-N 2.95Å; M284-D288 WeakPolarHBondContact O-CB 3.28Å; M284-D288 PolarHBondContact O-N 3.21Å
285	K	82.4	Confident	82.7	Confident	104 Å²	104	84.8 Å²	84.8	45%	0.452	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.6	-75.4	177.6	-179.7	-173.5	0	112.9	V281 A282 S283 E287 D288 E289	V281-K285 HydrophobicContact CG1-CD 4.47Å; V281-K285 WeakPolarHBondContact O-CG 3.27Å; V281-K285 PolarHBondContact O-N 3.24Å; V281-K285 VanDerWaalsContact O-N 3.09Å; A282-K285 PolarHBondContact O-N 3.12Å; S283-K285 VanDerWaalsContact C-N 3.31Å; S283-K285 PolarHBondContact O-N 2.74Å; K285-E287 VanDerWaalsContact C-N 3.33Å; K285-D288 PolarHBondContact O-N 2.9Å; K285-E289 VanDerWaalsContact O-CB 3.3Å; K285-E289 WeakPolarHBondContact O-CB 3.48Å; K285-E289 VanDerWaalsContact O-CG 3.24Å; K285-E289 WeakPolarHBondContact O-CG 3.5Å; K285-E289 PolarHBondContact O-N 3.46Å
286	Q	83.5	Confident	82.5	Confident	129 Å²	129	90.1 Å²	90.1	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-66.5	-37.9	176.6	-71.7	177.3	2.6	0	0	111.7	A282 S283 M284 K290	A282-Q286 WeakPolarHBondContact O-CG 3.27Å; A282-Q286 PolarHBondContact O-N 3.38Å; A282-Q286 VanDerWaalsContact O-N 3.09Å; S283-Q286 PolarHBondContact O-N 2.64Å; S283-Q286 VanDerWaalsContact O-N 3.1Å; M284-Q286 PolarHBondContact O-N 2.84Å; Q286-K290 WeakPolarHBondContact O-CB 3.39Å; Q286-K290 PolarHBondContact O-N 3.19Å
287	E	83.7	Confident	82.3	Confident	97 Å²	97	88 Å²	88	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-45.1	174.6	-72.9	168.7	-145.7	0	0	111.1	S283 M284 K285 E289 K290 I291	S283-E287 WeakPolarHBondContact O-CG 3.28Å; S283-E287 PolarHBondContact O-N 3.29Å; S283-E287 PolarHBondContact OG-OE1 2.75Å; M284-E287 PolarHBondContact O-N 2.95Å; K285-E287 VanDerWaalsContact C-N 3.33Å; E287-E289 PolarHBondContact O-N 3.27Å; E287-K290 WeakPolarHBondContact O-CB 3.44Å; E287-K290 PolarHBondContact O-N 3.34Å; E287-I291 WeakPolarHBondContact O-CB 3.35Å; E287-I291 WeakPolarHBondContact O-CD1 3.41Å; E287-I291 WeakPolarHBondContact O-CG1 3.45Å; E287-I291 PolarHBondContact O-N 3.15Å
288	D	82.7	Confident	82.1	Confident	69 Å²	69	88.2 Å²	88.2	37%	0.369	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-43.2	175.1	-72.9	-24.2	0	0	0	111.8	M284 K285 I291 K292	M284-D288 WeakPolarHBondContact O-CB 3.28Å; M284-D288 PolarHBondContact O-N 3.21Å; K285-D288 PolarHBondContact O-N 2.9Å; D288-I291 PolarHBondContact O-N 2.88Å; D288-K292 WeakPolarHBondContact O-CB 3.25Å; D288-K292 VanDerWaalsContact O-CG 3.23Å; D288-K292 WeakPolarHBondContact O-CG 3.33Å; D288-K292 PolarHBondContact O-N 3.17Å
289	E	85.5	Confident	82	Confident	128 Å²	128	90.3 Å²	90.3	60%	0.598	49%	0.486	S	S	*	.	H	α-helix	trans	-64.6	-41.6	174.6	-77.3	172.4	-177	0	0	111.1	K285 E287 I291 K292 S293	K285-E289 VanDerWaalsContact O-CB 3.3Å; K285-E289 WeakPolarHBondContact O-CB 3.48Å; K285-E289 VanDerWaalsContact O-CG 3.24Å; K285-E289 WeakPolarHBondContact O-CG 3.5Å; K285-E289 PolarHBondContact O-N 3.46Å; E287-E289 PolarHBondContact O-N 3.27Å; E289-I291 PolarHBondContact O-N 2.96Å; E289-K292 PolarHBondContact O-N 3.07Å; E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.01Å; E289-S293 PolarHBondContact O-N 2.96Å; E289-S293 PolarHBondContact O-OG 3.42Å
290	K	82.5	Confident	82	Confident	144 Å²	144	89.3 Å²	89.3	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-61.5	-46.6	175.6	-173.2	175.6	179.9	-179	0	110.6	Q286 E287 K292 S293 M294	Q286-K290 WeakPolarHBondContact O-CB 3.39Å; Q286-K290 PolarHBondContact O-N 3.19Å; E287-K290 WeakPolarHBondContact O-CB 3.44Å; E287-K290 PolarHBondContact O-N 3.34Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.39Å; K290-S293 WeakPolarHBondContact CA-OG 3.47Å; K290-S293 PolarHBondContact O-N 2.93Å; K290-S293 VanDerWaalsContact O-N 3.14Å; K290-S293 PolarHBondContact O-OG 3.19Å; K290-M294 WeakPolarHBondContact O-CG 3.49Å; K290-M294 PolarHBondContact O-N 3.12Å
291	I	79.8	Confident	82.1	Confident	85 Å²	85	91.2 Å²	91.2	44%	0.436	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-43	177.1	-68.5	162.6	0	0	0	110.6	E287 D288 E289 S293 M294 M299	E287-I291 WeakPolarHBondContact O-CB 3.35Å; E287-I291 WeakPolarHBondContact O-CD1 3.41Å; E287-I291 WeakPolarHBondContact O-CG1 3.45Å; E287-I291 PolarHBondContact O-N 3.15Å; D288-I291 PolarHBondContact O-N 2.88Å; E289-I291 PolarHBondContact O-N 2.96Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-M294 WeakPolarHBondContact O-CB 3.27Å; I291-M294 PolarHBondContact O-N 3.2Å; I291-M299 HydrophobicContact CG2-CE 3.84Å
292	K	77.8	Confident	82.1	Confident	166 Å²	166	91.2 Å²	91.2	72%	0.722	48%	0.479	S	S	*	.	H	α-helix	trans	-67.3	-32.8	175.5	-72.6	167.6	-174.7	170.3	0	113	D288 E289 K290 M294	D288-K292 WeakPolarHBondContact O-CB 3.25Å; D288-K292 VanDerWaalsContact O-CG 3.23Å; D288-K292 WeakPolarHBondContact O-CG 3.33Å; D288-K292 PolarHBondContact O-N 3.17Å; E289-K292 PolarHBondContact O-N 3.07Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.39Å; K292-M294 VanDerWaalsContact C-N 3.32Å
293	S	78.4	Confident	82.4	Confident	93 Å²	93	92.5 Å²	92.5	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-79.1	-14.6	178.4	75.2	0	0	0	0	113.3	E289 K290 I291 S295	E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.01Å; E289-S293 PolarHBondContact O-N 2.96Å; E289-S293 PolarHBondContact O-OG 3.42Å; K290-S293 WeakPolarHBondContact CA-OG 3.47Å; K290-S293 PolarHBondContact O-N 2.93Å; K290-S293 VanDerWaalsContact O-N 3.14Å; K290-S293 PolarHBondContact O-OG 3.19Å; I291-S293 VanDerWaalsContact C-N 3.33Å; S293-S295 PolarHBondContact O-N 2.97Å
294	M	74.7	Confident	82.7	Confident	72 Å²	72	96.3 Å²	96.3	36%	0.355	50%	0.499	S	S	.	.	S	Bend	trans	-60.9	127.1	172.9	-71.5	177.8	67.4	0	0	109.2	K290 I291 K292 E296 T298 I302	K290-M294 WeakPolarHBondContact O-CG 3.49Å; K290-M294 PolarHBondContact O-N 3.12Å; I291-M294 WeakPolarHBondContact O-CB 3.27Å; I291-M294 PolarHBondContact O-N 3.2Å; K292-M294 VanDerWaalsContact C-N 3.32Å; M294-E296 PolarHBondContact O-N 3.01Å; M294-T298 HydrophobicContact CE-CG2 3.58Å; M294-I302 HydrophobicContact CE-CD1 3.59Å
295	S	75	Confident	83	Confident	69 Å²	69	97.3 Å²	97.3	48%	0.483	50%	0.502	S	S	.	.			trans	-49	140.2	-177.2	63.4	0	0	0	0	111.9	S293 G297 T298 M299	S293-S295 PolarHBondContact O-N 2.97Å; S295-G297 PolarHBondContact O-N 3.07Å; S295-G297 VanDerWaalsContact O-N 3.1Å; S295-T298 WeakPolarHBondContact O-CA 3.43Å; S295-T298 WeakPolarHBondContact O-CB 3.36Å; S295-T298 PolarHBondContact O-N 2.93Å; S295-T298 WeakPolarHBondContact OG-CB 3.21Å; S295-T298 PolarHBondContact OG-N 3.32Å; S295-T298 PolarHBondContact OG-OG1 3.12Å; S295-M299 PolarHBondContact O-N 3.47Å
296	E	79.7	Confident	83.4	Confident	175 Å²	175	96.3 Å²	96.3	82%	0.818	50%	0.501	S	S	*	.	H	α-helix	trans	-52.2	-36.8	-179.3	-170.3	173.9	-168.6	0	0	112	M294 M299 A300	M294-E296 PolarHBondContact O-N 3.01Å; E296-M299 PolarHBondContact O-N 2.92Å; E296-A300 WeakPolarHBondContact O-CB 3.13Å; E296-A300 PolarHBondContact O-N 3.04Å
297	G	82.1	Confident	83.9	Confident	55 Å²	55	93 Å²	93	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-34.9	173.9	0	0	0	0	0	114.2	S295 R301	S295-G297 PolarHBondContact O-N 3.07Å; S295-G297 VanDerWaalsContact O-N 3.1Å; G297-R301 WeakPolarHBondContact O-CB 3.28Å; G297-R301 PolarHBondContact O-N 3.26Å
298	T	83.3	Confident	84.4	Confident	43 Å²	43	92.6 Å²	92.6	26%	0.264	49%	0.49	S	S	.	.	H	α-helix	trans	-69.6	-42.4	173.1	-57.6	0	0	0	0	110.7	M294 S295 R301 I302	M294-T298 HydrophobicContact CE-CG2 3.58Å; S295-T298 WeakPolarHBondContact O-CA 3.43Å; S295-T298 WeakPolarHBondContact O-CB 3.36Å; S295-T298 PolarHBondContact O-N 2.93Å; S295-T298 WeakPolarHBondContact OG-CB 3.21Å; S295-T298 PolarHBondContact OG-N 3.32Å; S295-T298 PolarHBondContact OG-OG1 3.12Å; T298-R301 PolarHBondContact O-N 3.47Å; T298-I302 HydrophobicContact CG2-CD1 3.98Å; T298-I302 WeakPolarHBondContact O-CG1 3.48Å; T298-I302 PolarHBondContact O-N 2.84Å
299	M	81.6	Confident	84.9	Confident	73 Å²	73	94.5 Å²	94.5	36%	0.36	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-48.8	175.3	-171.5	68.3	82.3	0	0	110.6	I291 S295 E296 R301 I302 T303	I291-M299 HydrophobicContact CG2-CE 3.84Å; S295-M299 PolarHBondContact O-N 3.47Å; E296-M299 PolarHBondContact O-N 2.92Å; M299-R301 VanDerWaalsContact C-N 3.32Å; M299-R301 PolarHBondContact O-N 3.48Å; M299-I302 PolarHBondContact O-N 2.98Å; M299-I302 VanDerWaalsContact O-N 3.13Å; M299-T303 PolarHBondContact O-N 2.89Å; M299-T303 PolarHBondContact O-OG1 3.39Å
300	A	84.8	Confident	85.2	Confident	52 Å²	52	93.5 Å²	93.5	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-40.3	177.4	0	0	0	0	0	112.9	E296 T303 L304	E296-A300 WeakPolarHBondContact O-CB 3.13Å; E296-A300 PolarHBondContact O-N 3.04Å; A300-T303 PolarHBondContact O-N 3.41Å; A300-L304 WeakPolarHBondContact O-CG 3.48Å; A300-L304 PolarHBondContact O-N 3.46Å
301	R	88	Confident	85.8	Confident	141 Å²	141	93.2 Å²	93.2	53%	0.532	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-44.3	175	-174.2	176.3	68	98.3	-6.1	111.7	G297 T298 M299 T303 L304 E305	G297-R301 WeakPolarHBondContact O-CB 3.28Å; G297-R301 PolarHBondContact O-N 3.26Å; T298-R301 PolarHBondContact O-N 3.47Å; M299-R301 VanDerWaalsContact C-N 3.32Å; M299-R301 PolarHBondContact O-N 3.48Å; R301-T303 VanDerWaalsContact C-N 3.34Å; R301-L304 PolarHBondContact O-N 3.08Å; R301-E305 IonicContact CZ-OE1 3.74Å; R301-E305 IonicContact NH1-OE1 3.07Å; R301-E305 PolarHBondContact NH1-OE1 3.07Å; R301-E305 WeakPolarHBondContact O-CG 3.41Å; R301-E305 PolarHBondContact O-N 3.45Å
302	I	84.3	Confident	86.4	Confident	54 Å²	54	97 Å²	97	28%	0.277	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-43.7	177.4	-68.2	166.5	0	0	0	110.2	M294 T298 M299 L304 E305 I306	M294-I302 HydrophobicContact CE-CD1 3.59Å; T298-I302 HydrophobicContact CG2-CD1 3.98Å; T298-I302 WeakPolarHBondContact O-CG1 3.48Å; T298-I302 PolarHBondContact O-N 2.84Å; M299-I302 PolarHBondContact O-N 2.98Å; M299-I302 VanDerWaalsContact O-N 3.13Å; I302-L304 VanDerWaalsContact C-N 3.34Å; I302-L304 PolarHBondContact O-N 2.97Å; I302-E305 PolarHBondContact O-N 3.23Å; I302-I306 HydrophobicContact CG2-CD1 3.78Å; I302-I306 HydrophobicContact CG2-CG1 4.36Å; I302-I306 VanDerWaalsContact O-CG1 3.29Å; I302-I306 WeakPolarHBondContact O-CG1 3.36Å; I302-I306 PolarHBondContact O-N 3.33Å
303	T	89.7	Confident	87.1	Confident	73 Å²	73	94 Å²	94	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.8	-51.1	0	0	0	0	112	M299 A300 R301 I306 S307	M299-T303 PolarHBondContact O-N 2.89Å; M299-T303 PolarHBondContact O-OG1 3.39Å; A300-T303 PolarHBondContact O-N 3.41Å; R301-T303 VanDerWaalsContact C-N 3.34Å; T303-I306 PolarHBondContact O-N 2.83Å; T303-S307 PolarHBondContact O-N 2.92Å; T303-S307 PolarHBondContact O-OG 3.11Å
304	L	91.2	Very high	87.8	Confident	128 Å²	128	94.4 Å²	94.4	67%	0.67	49%	0.485	S	S	*	.	H	α-helix	trans	-64.1	-41	175.6	-73.5	171.2	0	0	0	112.6	A300 R301 I302 I306 S307 E308	A300-L304 WeakPolarHBondContact O-CG 3.48Å; A300-L304 PolarHBondContact O-N 3.46Å; R301-L304 PolarHBondContact O-N 3.08Å; I302-L304 VanDerWaalsContact C-N 3.34Å; I302-L304 PolarHBondContact O-N 2.97Å; L304-I306 VanDerWaalsContact C-N 3.34Å; L304-S307 PolarHBondContact O-N 3.46Å; L304-E308 PolarHBondContact O-N 3.19Å
305	E	92.1	Very high	88.6	Confident	93 Å²	93	92.9 Å²	92.9	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-40.5	175.6	-74.9	176.5	-162.4	0	0	111.5	R301 I302 E308 L309	R301-E305 IonicContact CZ-OE1 3.74Å; R301-E305 IonicContact NH1-OE1 3.07Å; R301-E305 PolarHBondContact NH1-OE1 3.07Å; R301-E305 WeakPolarHBondContact O-CG 3.41Å; R301-E305 PolarHBondContact O-N 3.45Å; I302-E305 PolarHBondContact O-N 3.23Å; E305-E308 PolarHBondContact O-N 3.42Å; E305-L309 WeakPolarHBondContact O-CB 3.41Å; E305-L309 VanDerWaalsContact O-CG 3.29Å; E305-L309 WeakPolarHBondContact O-CG 3.33Å; E305-L309 PolarHBondContact O-N 3.23Å
306	I	92	Very high	89.2	Confident	84 Å²	84	93.6 Å²	93.6	43%	0.431	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-49.9	174.9	-68.9	166.3	0	0	0	110.3	I302 T303 L304 E308 L309 E310	I302-I306 HydrophobicContact CG2-CD1 3.78Å; I302-I306 HydrophobicContact CG2-CG1 4.36Å; I302-I306 VanDerWaalsContact O-CG1 3.29Å; I302-I306 WeakPolarHBondContact O-CG1 3.36Å; I302-I306 PolarHBondContact O-N 3.33Å; T303-I306 PolarHBondContact O-N 2.83Å; L304-I306 VanDerWaalsContact C-N 3.34Å; I306-E308 VanDerWaalsContact C-N 3.32Å; I306-E308 PolarHBondContact O-N 3.15Å; I306-L309 WeakPolarHBondContact O-CB 3.47Å; I306-L309 PolarHBondContact O-N 2.76Å; I306-L309 VanDerWaalsContact O-N 3.15Å; I306-E310 HydrophobicContact CG2-CG 4.39Å; I306-E310 WeakPolarHBondContact O-CG 3.42Å; I306-E310 PolarHBondContact O-N 2.93Å
307	S	93.7	Very high	89.5	Confident	60 Å²	60	90 Å²	90	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-36.2	-179.6	-61.3	0	0	0	0	113.4	T303 L304 R311	T303-S307 PolarHBondContact O-N 2.92Å; T303-S307 PolarHBondContact O-OG 3.11Å; L304-S307 PolarHBondContact O-N 3.46Å; S307-R311 PolarHBondContact O-N 3.45Å
308	E	94.5	Very high	89.7	Confident	88 Å²	88	94.5 Å²	94.5	41%	0.411	47%	0.469	S	S	.	.	H	α-helix	trans	-70.4	-35.9	175.8	177.9	56.4	-163.4	0	0	112.1	L304 E305 I306 R311 R312	L304-E308 PolarHBondContact O-N 3.19Å; E305-E308 PolarHBondContact O-N 3.42Å; I306-E308 VanDerWaalsContact C-N 3.32Å; I306-E308 PolarHBondContact O-N 3.15Å; E308-R311 IonicContact OE1-CZ 2.64Å; E308-R311 IonicContact OE1-NE 3.49Å; E308-R311 PolarHBondContact OE1-NE 3.11Å; E308-R311 IonicContact OE1-NH2 3.82Å; E308-R311 PolarHBondContact OE1-NH2 2.9Å; E308-R311 IonicContact OE2-CZ 3.82Å; E308-R311 IonicContact OE2-NE 2.86Å; E308-R311 PolarHBondContact OE2-NE 2.64Å; E308-R311 IonicContact OE2-NH2 3.4Å; E308-R312 WeakPolarHBondContact O-CB 3.24Å; E308-R312 PolarHBondContact O-N 3.47Å; E308-R312 VanDerWaalsContact O-N 3.1Å
309	L	92.8	Very high	89.8	Confident	108 Å²	108	97.1 Å²	97.1	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-66.2	-43.8	173.5	-73.7	170.3	0	0	0	111.6	E305 I306 R311 R312 I313	E305-L309 WeakPolarHBondContact O-CB 3.41Å; E305-L309 VanDerWaalsContact O-CG 3.29Å; E305-L309 WeakPolarHBondContact O-CG 3.33Å; E305-L309 PolarHBondContact O-N 3.23Å; I306-L309 WeakPolarHBondContact O-CB 3.47Å; I306-L309 PolarHBondContact O-N 2.76Å; I306-L309 VanDerWaalsContact O-N 3.15Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R312 WeakPolarHBondContact O-CB 3.07Å; L309-R312 PolarHBondContact O-N 3.01Å; L309-R312 VanDerWaalsContact O-N 3.09Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.33Å; L309-I313 PolarHBondContact O-N 3.08Å
310	E	91.9	Very high	89.6	Confident	107 Å²	107	97.5 Å²	97.5	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-55.8	-50.3	174.4	-73.1	172.7	160.5	0	0	110.9	I306 R312 I313 D314	I306-E310 HydrophobicContact CG2-CG 4.39Å; I306-E310 WeakPolarHBondContact O-CG 3.42Å; I306-E310 PolarHBondContact O-N 2.93Å; E310-R312 PolarHBondContact O-N 3.35Å; E310-I313 PolarHBondContact O-N 3.24Å; E310-I313 VanDerWaalsContact O-N 3.14Å; E310-D314 PolarHBondContact O-N 3.31Å
311	R	94	Very high	89.2	Confident	139 Å²	139	98.3 Å²	98.3	53%	0.525	49%	0.487	S	S	.	.	H	α-helix	trans	-56.2	-37.1	176	-168	-167.1	69.8	73.7	0.1	112.5	S307 E308 L309 S315	S307-R311 PolarHBondContact O-N 3.45Å; E308-R311 IonicContact OE1-CZ 2.64Å; E308-R311 IonicContact OE1-NE 3.49Å; E308-R311 PolarHBondContact OE1-NE 3.11Å; E308-R311 IonicContact OE1-NH2 3.82Å; E308-R311 PolarHBondContact OE1-NH2 2.9Å; E308-R311 IonicContact OE2-CZ 3.82Å; E308-R311 IonicContact OE2-NE 2.86Å; E308-R311 PolarHBondContact OE2-NE 2.64Å; E308-R311 IonicContact OE2-NH2 3.4Å; L309-R311 PolarHBondContact O-N 2.99Å; R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 2.89Å
312	R	93.6	Very high	88.4	Confident	165 Å²	165	94.1 Å²	94.1	62%	0.623	49%	0.487	S	S	*	.	H	α-helix	trans	-75.5	-38	-179.4	-164.4	163.1	-177.5	155	-3	112.2	E308 L309 E310 S315 E316	E308-R312 WeakPolarHBondContact O-CB 3.24Å; E308-R312 PolarHBondContact O-N 3.47Å; E308-R312 VanDerWaalsContact O-N 3.1Å; L309-R312 WeakPolarHBondContact O-CB 3.07Å; L309-R312 PolarHBondContact O-N 3.01Å; L309-R312 VanDerWaalsContact O-N 3.09Å; E310-R312 PolarHBondContact O-N 3.35Å; R312-S315 PolarHBondContact O-N 3.03Å; R312-E316 PolarHBondContact O-N 2.98Å
313	I	91.5	Very high	87.4	Confident	101 Å²	101	98.7 Å²	98.7	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-49	172.2	-68.8	164.9	0	0	0	109.2	L309 E310 S315 E316 L317	L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.33Å; L309-I313 PolarHBondContact O-N 3.08Å; E310-I313 PolarHBondContact O-N 3.24Å; E310-I313 VanDerWaalsContact O-N 3.14Å; I313-S315 VanDerWaalsContact C-N 3.34Å; I313-S315 PolarHBondContact O-N 2.74Å; I313-E316 PolarHBondContact O-N 3.5Å; I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.35Å; I313-L317 WeakPolarHBondContact O-CB 3.43Å; I313-L317 WeakPolarHBondContact O-CG 3.25Å; I313-L317 PolarHBondContact O-N 3.05Å
314	D	92.9	Very high	85.5	Confident	103 Å²	103	100.1 Å²	100.1	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-61.2	-41.3	179	-71.5	-19.7	0	0	0	112.4	E310 L317 Q318	E310-D314 PolarHBondContact O-N 3.31Å; D314-L317 PolarHBondContact O-N 3.49Å; D314-Q318 WeakPolarHBondContact O-CB 3.25Å; D314-Q318 PolarHBondContact O-N 2.88Å
315	S	91.7	Very high	83.7	Confident	40 Å²	40	98 Å²	98	28%	0.28	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.1	-173.8	0	0	0	0	112.7	R311 R312 I313 Q318 K319	R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 2.89Å; R312-S315 PolarHBondContact O-N 3.03Å; I313-S315 VanDerWaalsContact C-N 3.34Å; I313-S315 PolarHBondContact O-N 2.74Å; S315-Q318 PolarHBondContact O-N 3.37Å; S315-K319 WeakPolarHBondContact O-CG 2.99Å; S315-K319 PolarHBondContact O-N 3.16Å
316	E	88.1	Confident	81.9	Confident	83 Å²	83	97.5 Å²	97.5	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-69.9	-39	176.4	-76.7	-57	141.7	0	0	112.1	R312 I313 Q318 K319 L320	R312-E316 PolarHBondContact O-N 2.98Å; I313-E316 PolarHBondContact O-N 3.5Å; E316-Q318 VanDerWaalsContact C-N 3.28Å; E316-Q318 PolarHBondContact O-N 2.75Å; E316-K319 PolarHBondContact O-N 3.29Å; E316-K319 IonicContact OE1-NZ 3.66Å; E316-K319 PolarHBondContact OE1-NZ 3.28Å; E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 WeakPolarHBondContact O-CD1 3.41Å; E316-L320 WeakPolarHBondContact O-CG 3.25Å; E316-L320 PolarHBondContact O-N 3.27Å
317	L	84.9	Confident	80.1	Confident	101 Å²	101	103.9 Å²	103.9	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-58.5	-41.6	171.8	-74.1	174.3	0	0	0	111.3	I313 D314 L320 A321	I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.35Å; I313-L317 WeakPolarHBondContact O-CB 3.43Å; I313-L317 WeakPolarHBondContact O-CG 3.25Å; I313-L317 PolarHBondContact O-N 3.05Å; D314-L317 PolarHBondContact O-N 3.49Å; L317-L320 PolarHBondContact O-N 3.06Å; L317-A321 WeakPolarHBondContact O-CB 3.36Å; L317-A321 PolarHBondContact O-N 3.41Å
318	Q	86.7	Confident	78.2	Confident	149 Å²	149	104.6 Å²	104.6	70%	0.696	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-39.6	176.3	-165.5	174.9	25.2	0	0	112.5	D314 S315 E316 A321 G322	D314-Q318 WeakPolarHBondContact O-CB 3.25Å; D314-Q318 PolarHBondContact O-N 2.88Å; S315-Q318 PolarHBondContact O-N 3.37Å; E316-Q318 VanDerWaalsContact C-N 3.28Å; E316-Q318 PolarHBondContact O-N 2.75Å; Q318-A321 PolarHBondContact O-N 3.34Å; Q318-G322 PolarHBondContact O-N 3.07Å
319	K	85.1	Confident	76.1	Confident	97 Å²	97	103.9 Å²	103.9	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-39.3	174.5	-71.6	174.9	-161.3	167.4	0	112.2	S315 E316 G322 K323	S315-K319 WeakPolarHBondContact O-CG 2.99Å; S315-K319 PolarHBondContact O-N 3.16Å; E316-K319 PolarHBondContact O-N 3.29Å; E316-K319 IonicContact OE1-NZ 3.66Å; E316-K319 PolarHBondContact OE1-NZ 3.28Å; K319-G322 PolarHBondContact O-N 3.37Å; K319-K323 WeakPolarHBondContact O-CB 3.3Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.65Å
320	L	78.5	Confident	74.2	Confident	81 Å²	81	102.6 Å²	102.6	42%	0.424	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-50	174.1	-76.9	157.2	0	0	0	109.6	E316 L317 G322 K323 Y324	E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 WeakPolarHBondContact O-CD1 3.41Å; E316-L320 WeakPolarHBondContact O-CG 3.25Å; E316-L320 PolarHBondContact O-N 3.27Å; L317-L320 PolarHBondContact O-N 3.06Å; L320-G322 VanDerWaalsContact C-N 3.25Å; L320-G322 PolarHBondContact O-N 3.36Å; L320-K323 PolarHBondContact O-N 3.31Å; L320-Y324 HydrophobicContact CD2-CE2 3.91Å; L320-Y324 WeakPolarHBondContact O-CD2 3.42Å; L320-Y324 PolarHBondContact O-N 2.96Å
321	A	76.7	Confident	72.3	Confident	70 Å²	70	100.1 Å²	100.1	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-57.4	-36.8	175.4	0	0	0	0	0	112.9	L317 Q318 Y324	L317-A321 WeakPolarHBondContact O-CB 3.36Å; L317-A321 PolarHBondContact O-N 3.41Å; Q318-A321 PolarHBondContact O-N 3.34Å; A321-Y324 CarbonylContact O-C 3.58Å; A321-Y324 VanDerWaalsContact O-O 3.11Å
322	G	70	Confident	70.4	Confident	53 Å²	53	98.8 Å²	98.8	55%	0.546	52%	0.52	S	S	.	.	H	α-helix	trans	-73.1	-37.5	176.9	0	0	0	0	0	114.5	Q318 K319 L320	Q318-G322 PolarHBondContact O-N 3.07Å; K319-G322 PolarHBondContact O-N 3.37Å; L320-G322 VanDerWaalsContact C-N 3.25Å; L320-G322 PolarHBondContact O-N 3.36Å
323	K	63	Low	68.5	Low	149 Å²	149	95.5 Å²	95.5	65%	0.648	51%	0.514	S	S	*	.	H	α-helix	trans	-74.6	-36.7	179.1	-75.3	174.7	-177.9	175.7	0	112	K319 L320 T325	K319-K323 WeakPolarHBondContact O-CB 3.3Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.65Å; L320-K323 PolarHBondContact O-N 3.31Å; K323-T325 PolarHBondContact O-N 3.39Å
324	Y	51.7	Low	66.8	Low	104 Å²	104	95.2 Å²	95.2	41%	0.408	52%	0.521	S	S	.	.	S	Bend	trans	-81.4	72.1	166.9	-66.9	-76.2	0	0	0	109	L320 A321 A326 I329	L320-Y324 HydrophobicContact CD2-CE2 3.91Å; L320-Y324 WeakPolarHBondContact O-CD2 3.42Å; L320-Y324 PolarHBondContact O-N 2.96Å; A321-Y324 CarbonylContact O-C 3.58Å; A321-Y324 VanDerWaalsContact O-O 3.11Å; Y324-A326 PolarHBondContact O-N 3.17Å; Y324-I329 HydrophobicContact CD1-CD1 4.21Å; Y324-I329 HydrophobicContact CD1-CG1 4.12Å; Y324-I329 HydrophobicContact CD2-CD1 4.5Å; Y324-I329 HydrophobicContact CG-CD1 3.79Å; Y324-I329 HydrophobicContact CG-CG1 4.19Å
325	T	51.9	Low	65	Low	84 Å²	84	98.3 Å²	98.3	52%	0.515	53%	0.53	S	S	.	.			trans	-46.4	125.3	171.1	58.5	0	0	0	0	108	K323 R327 T328	K323-T325 PolarHBondContact O-N 3.39Å; T325-R327 PolarHBondContact O-N 2.92Å; T325-T328 PolarHBondContact O-N 3.19Å
326	A	54.8	Low	62.9	Low	81 Å²	81	101.2 Å²	101.2	67%	0.669	54%	0.541	S	S	*	.	H	α-helix	trans	-50.5	-20.1	-166.5	0	0	0	0	0	114.1	Y324 S330	Y324-A326 PolarHBondContact O-N 3.17Å; A326-S330 WeakPolarHBondContact O-CB 3.4Å; A326-S330 PolarHBondContact O-N 2.84Å
327	R	53.4	Low	60.7	Low	218 Å²	218	104.9 Å²	104.9	82%	0.823	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-40.9	172.5	-72.1	-176.9	-171.2	156.1	3.5	113.9	T325 S331	T325-R327 PolarHBondContact O-N 2.92Å; R327-S331 VanDerWaalsContact O-CB 3.26Å; R327-S331 WeakPolarHBondContact O-CB 3.33Å; R327-S331 PolarHBondContact O-N 2.82Å; R327-S331 PolarHBondContact O-OG 3.09Å
328	T	54.4	Low	58.8	Low	75 Å²	75	104.2 Å²	104.2	46%	0.46	56%	0.564	S	S	.	*	H	α-helix	trans	-70.3	-46.7	-178.6	-51	0	0	0	0	110.4	T325 S331 Q332	T325-T328 PolarHBondContact O-N 3.19Å; T328-S331 PolarHBondContact O-N 3.25Å; T328-S331 PolarHBondContact O-OG 3.38Å; T328-S331 VanDerWaalsContact O-OG 3.06Å; T328-Q332 HydrophobicContact CG2-CG 4.46Å; T328-Q332 WeakPolarHBondContact O-CB 3.24Å; T328-Q332 WeakPolarHBondContact O-CG 3.31Å; T328-Q332 PolarHBondContact O-N 2.87Å
329	I	49.9	Very low	56.6	Low	74 Å²	74	99.7 Å²	99.7	38%	0.379	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-46.7	174.8	-68.3	178.5	0	0	0	110.4	Y324 S331 Q332 L333	Y324-I329 HydrophobicContact CD1-CD1 4.21Å; Y324-I329 HydrophobicContact CD1-CG1 4.12Å; Y324-I329 HydrophobicContact CD2-CD1 4.5Å; Y324-I329 HydrophobicContact CG-CD1 3.79Å; Y324-I329 HydrophobicContact CG-CG1 4.19Å; I329-S331 PolarHBondContact O-N 3.29Å; I329-Q332 PolarHBondContact O-N 3.34Å; I329-L333 HydrophobicContact CG2-CD1 3.77Å; I329-L333 WeakPolarHBondContact O-CB 3.37Å; I329-L333 WeakPolarHBondContact O-CD1 3.32Å; I329-L333 PolarHBondContact O-N 3.27Å
330	S	53.6	Low	54.4	Low	80 Å²	80	101.3 Å²	101.3	56%	0.559	58%	0.579	S	S	*	*	H	α-helix	trans	-62.8	-40.8	-179.5	-179.4	0	0	0	0	112.7	A326 S334	A326-S330 WeakPolarHBondContact O-CB 3.4Å; A326-S330 PolarHBondContact O-N 2.84Å; S330-S334 PolarHBondContact O-N 3.5Å; S330-S334 PolarHBondContact O-OG 3.44Å
331	S	51.4	Low	52.7	Low	55 Å²	55	100.7 Å²	100.7	39%	0.385	58%	0.581	S	S	.	*	H	α-helix	trans	-72.1	-27.9	176.9	75.5	0	0	0	0	114.1	R327 T328 I329 S334 K335	R327-S331 VanDerWaalsContact O-CB 3.26Å; R327-S331 WeakPolarHBondContact O-CB 3.33Å; R327-S331 PolarHBondContact O-N 2.82Å; R327-S331 PolarHBondContact O-OG 3.09Å; T328-S331 PolarHBondContact O-N 3.25Å; T328-S331 PolarHBondContact O-OG 3.38Å; T328-S331 VanDerWaalsContact O-OG 3.06Å; I329-S331 PolarHBondContact O-N 3.29Å; S331-S334 PolarHBondContact O-OG 3.34Å; S331-K335 WeakPolarHBondContact O-CG 3.35Å
332	Q	55.1	Low	51.2	Low	112 Å²	112	107 Å²	107	52%	0.523	60%	0.596	S	S	.	*	H	α-helix	trans	-77.8	-42.8	174.8	-72.9	-87.8	-26.4	0	0	109.4	T328 I329 S334 K335 I336	T328-Q332 HydrophobicContact CG2-CG 4.46Å; T328-Q332 WeakPolarHBondContact O-CB 3.24Å; T328-Q332 WeakPolarHBondContact O-CG 3.31Å; T328-Q332 PolarHBondContact O-N 2.87Å; I329-Q332 PolarHBondContact O-N 3.34Å; Q332-S334 VanDerWaalsContact C-N 3.35Å; Q332-S334 PolarHBondContact O-N 2.84Å; Q332-K335 PolarHBondContact O-N 2.94Å; Q332-I336 WeakPolarHBondContact O-CG1 3.43Å; Q332-I336 PolarHBondContact O-N 2.83Å
333	L	53.3	Low	50	Low	95 Å²	95	106.7 Å²	106.7	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-64.2	-34.7	177.2	-103.3	68.7	0	0	0	113.1	I329 K335 I336	I329-L333 HydrophobicContact CG2-CD1 3.77Å; I329-L333 WeakPolarHBondContact O-CB 3.37Å; I329-L333 WeakPolarHBondContact O-CD1 3.32Å; I329-L333 PolarHBondContact O-N 3.27Å; L333-K335 PolarHBondContact O-N 3.44Å; L333-I336 PolarHBondContact O-N 3.46Å
334	S	55.9	Low	49.1	Very low	95 Å²	95	104 Å²	104	66%	0.664	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-17.9	177	65.5	0	0	0	0	113.9	S330 S331 Q332	S330-S334 PolarHBondContact O-N 3.5Å; S330-S334 PolarHBondContact O-OG 3.44Å; S331-S334 PolarHBondContact O-OG 3.34Å; Q332-S334 VanDerWaalsContact C-N 3.35Å; Q332-S334 PolarHBondContact O-N 2.84Å
335	K	54.1	Low	48.6	Very low	168 Å²	168	106.2 Å²	106.2	73%	0.73	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-20.7	174.4	-71.5	178.7	-178.5	-178	0	113.1	S331 Q332 L333 D337	S331-K335 WeakPolarHBondContact O-CG 3.35Å; Q332-K335 PolarHBondContact O-N 2.94Å; L333-K335 PolarHBondContact O-N 3.44Å; K335-D337 VanDerWaalsContact C-N 3.35Å; K335-D337 PolarHBondContact O-N 3.04Å
336	I	48.7	Very low	48.3	Very low	101 Å²	101	109.2 Å²	109.2	52%	0.518	61%	0.606	S	S	.	*	S	Bend	trans	-80.3	95.7	173.6	-50.3	168.8	0	0	0	105.7	Q332 L333 V338	Q332-I336 WeakPolarHBondContact O-CG1 3.43Å; Q332-I336 PolarHBondContact O-N 2.83Å; L333-I336 PolarHBondContact O-N 3.46Å; I336-V338 HydrophobicContact CB-CG2 3.92Å; I336-V338 HydrophobicContact CG2-CB 4.48Å; I336-V338 HydrophobicContact CG2-CG2 3.19Å; I336-V338 PolarHBondContact O-N 3.27Å
337	D	41.5	Very low	47.7	Very low	161 Å²	161	111.5 Å²	111.5	86%	0.861	61%	0.606	S	S	*	*			trans	-68.4	69.4	170.5	-159.4	8.5	0	0	0	108.5	K335 G339	K335-D337 VanDerWaalsContact C-N 3.35Å; K335-D337 PolarHBondContact O-N 3.04Å; D337-G339 VanDerWaalsContact C-N 3.28Å; D337-G339 PolarHBondContact O-N 3.49Å
338	V	45.4	Very low	47	Very low	87 Å²	87	106.2 Å²	106.2	53%	0.527	59%	0.594	S	S	.	*			trans	-75.1	90.1	178.1	-171.2	0	0	0	0	106.3	I336 C340	I336-V338 HydrophobicContact CB-CG2 3.92Å; I336-V338 HydrophobicContact CG2-CB 4.48Å; I336-V338 HydrophobicContact CG2-CG2 3.19Å; I336-V338 PolarHBondContact O-N 3.27Å; V338-C340 PolarHBondContact O-N 3.42Å
339	G	40.9	Very low	46	Very low	53 Å²	53	105.7 Å²	105.7	55%	0.546	60%	0.597	S	S	.	*			trans	-42.1	108.1	174.7	0	0	0	0	0	111.9	D337 S341	D337-G339 VanDerWaalsContact C-N 3.28Å; D337-G339 PolarHBondContact O-N 3.49Å; G339-S341 VanDerWaalsContact C-N 3.26Å; G339-S341 PolarHBondContact O-N 3.37Å
340	C	38.1	Very low	45.5	Very low	132 Å²	132	111 Å²	111	89%	0.892	62%	0.62	S	S	*	*			trans	17.7	46.5	160.2	-69.5	0	0	0	0	119	V338 K342	V338-C340 PolarHBondContact O-N 3.42Å; C340-K342 PolarHBondContact O-N 2.88Å
341	S	43	Very low	44.8	Very low	68 Å²	68	113 Å²	113	48%	0.476	63%	0.629	S	S	.	*			trans	-85.8	112.8	170.9	61.8	0	0	0	0	109.2	G339 G343	G339-S341 VanDerWaalsContact C-N 3.26Å; G339-S341 PolarHBondContact O-N 3.37Å; S341-G343 PolarHBondContact O-N 3.03Å
342	K	45.2	Very low	43.9	Very low	202 Å²	202	116.6 Å²	116.6	88%	0.878	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	12.8	-174.3	-67.5	178.9	178.8	175.5	0	115	C340	C340-K342 PolarHBondContact O-N 2.88Å
343	G	44.8	Very low	43.3	Very low	47 Å²	47	116 Å²	116	49%	0.485	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-31.7	-178.6	0	0	0	0	0	114.4	S341 H346	S341-G343 PolarHBondContact O-N 3.03Å; G343-H346 PolarHBondContact O-CE1 3.42Å; G343-H346 PolarHBondContact O-ND1 2.95Å
344	I	45.1	Very low	42.7	Very low	93 Å²	93	118.1 Å²	118.1	48%	0.477	66%	0.664	S	S	.	*	S	Bend	trans	-99.7	-20.6	-166.1	-55.3	176.2	0	0	0	112.6	H346 L347 L348	I344-H346 PolarHBondContact O-N 3.22Å; I344-H346 VanDerWaalsContact O-N 3.12Å; I344-L347 PolarHBondContact O-N 2.83Å; I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.2Å; I344-L348 PolarHBondContact O-N 3.46Å
345	H	39.5	Very low	41.8	Very low	149 Å²	149	121.6 Å²	121.6	69%	0.69	67%	0.667	S	S	*	*	H	α-helix	trans	-62	-25.7	-175.3	-110.8	-76.6	0	0	0	114.7	L347 L348 A349	H345-L347 VanDerWaalsContact C-N 3.27Å; H345-L347 PolarHBondContact O-N 2.9Å; H345-L348 PolarHBondContact O-N 3.25Å; H345-A349 PolarHBondContact O-N 3.39Å
346	H	46.7	Very low	41.1	Very low	147 Å²	147	118.4 Å²	118.4	68%	0.681	66%	0.662	S	S	*	*	H	α-helix	trans	-73.1	-19.5	176.7	82.7	-78	0	0	0	113.4	G343 I344	G343-H346 PolarHBondContact O-CE1 3.42Å; G343-H346 PolarHBondContact O-ND1 2.95Å; I344-H346 PolarHBondContact O-N 3.22Å; I344-H346 VanDerWaalsContact O-N 3.12Å
347	L	42	Very low	40.6	Very low	130 Å²	130	120.4 Å²	120.4	68%	0.681	67%	0.667	S	S	*	*	H	α-helix	trans	-89.9	-13.9	174.7	-63.8	173.3	0	0	0	112.6	I344 H345	I344-L347 PolarHBondContact O-N 2.83Å; H345-L347 VanDerWaalsContact C-N 3.27Å; H345-L347 PolarHBondContact O-N 2.9Å
348	L	38.5	Very low	40.8	Very low	106 Å²	106	119.3 Å²	119.3	56%	0.555	66%	0.656	S	S	*	*	H	α-helix	trans	-114.1	-1.4	-176.5	-65.5	176.1	0	0	0	113.5	I344 H345 E350	I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.2Å; I344-L348 PolarHBondContact O-N 3.46Å; H345-L348 PolarHBondContact O-N 3.25Å; L348-E350 PolarHBondContact O-N 3.35Å
349	A	34.4	Very low	40.6	Very low	64 Å²	64	121 Å²	121	53%	0.529	66%	0.662	S	S	.	*	S	Bend	trans	-64	106.5	168.5	0	0	0	0	0	106.9	H345 T351	H345-A349 PolarHBondContact O-N 3.39Å; A349-T351 VanDerWaalsContact C-N 3.3Å; A349-T351 PolarHBondContact O-N 3.45Å
350	E	38.1	Very low	40.5	Very low	186 Å²	186	124.4 Å²	124.4	87%	0.869	67%	0.667	S	S	*	*			trans	-45.8	101.3	166.6	-74.9	177.7	157.1	0	0	106.7	L348 D352	L348-E350 PolarHBondContact O-N 3.35Å; E350-D352 VanDerWaalsContact C-N 3.29Å; E350-D352 PolarHBondContact O-N 3.18Å
351	T	38.9	Very low	40.8	Very low	123 Å²	123	121.6 Å²	121.6	76%	0.755	64%	0.643	S	S	*	*			trans	-66.5	100.7	176.3	47.1	0	0	0	0	105.1	A349 S353	A349-T351 VanDerWaalsContact C-N 3.3Å; A349-T351 PolarHBondContact O-N 3.45Å; T351-S353 PolarHBondContact O-N 2.97Å
352	D	33.8	Very low	41	Very low	129 Å²	129	123.3 Å²	123.3	69%	0.69	65%	0.647	S	S	*	*			trans	-37.2	109.6	170.8	-88.1	-37.5	0	0	0	108.1	E350 L354 K355	E350-D352 VanDerWaalsContact C-N 3.29Å; E350-D352 PolarHBondContact O-N 3.18Å; D352-L354 PolarHBondContact O-N 2.84Å; D352-K355 PolarHBondContact O-N 3.01Å
353	S	42.6	Very low	40.7	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	14.5	-171	46.8	0	0	0	0	114	T351	T351-S353 PolarHBondContact O-N 2.97Å
354	L	39.2	Very low	40.6	Very low	139 Å²	139	124.9 Å²	124.9	73%	0.728	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-22.9	178.3	-69.5	168.2	0	0	0	113.3	D352	D352-L354 PolarHBondContact O-N 2.84Å
355	K	38.5	Very low	40.3	Very low	168 Å²	168	128.6 Å²	128.6	73%	0.73	66%	0.66	S	S	*	*	H	α-helix	trans	-86.1	-25.9	-178.3	-74.2	-177.5	179.6	172.4	0	114.7	D352 F357 L359	D352-K355 PolarHBondContact O-N 3.01Å; K355-F357 PolarHBondContact O-N 2.92Å; K355-L359 PolarHBondContact O-N 2.77Å
356	T	38.1	Very low	39.9	Very low	101 Å²	101	127.3 Å²	127.3	62%	0.62	66%	0.658	S	S	*	*	H	α-helix	trans	-68.7	-21.8	175.6	16.6	0	0	0	0	112.6
357	F	39.5	Very low	39.2	Very low	143 Å²	143	125.8 Å²	125.8	63%	0.627	66%	0.661	S	S	*	*	H	α-helix	trans	-80.2	-34.3	178.3	-157.7	-94.4	0	0	0	113.2	K355 N361	K355-F357 PolarHBondContact O-N 2.92Å; F357-N361 PolarHBondContact O-N 2.95Å
358	E	44.1	Very low	38.8	Very low	138 Å²	138	127.3 Å²	127.3	65%	0.645	67%	0.67	S	S	*	*	H	α-helix	trans	-69.5	-40.5	174.6	-81.4	-177.1	152.7	0	0	111.8	L360 N361 D362	E358-L360 VanDerWaalsContact C-N 3.25Å; E358-L360 PolarHBondContact O-N 3.34Å; E358-N361 PolarHBondContact O-N 3.43Å; E358-N361 VanDerWaalsContact O-N 3.16Å; E358-D362 PolarHBondContact O-N 2.96Å; E358-D362 VanDerWaalsContact O-N 3.14Å
359	L	42.6	Very low	38.5	Very low	123 Å²	123	129.6 Å²	129.6	64%	0.644	68%	0.683	S	S	*	*	H	α-helix	trans	-64.6	-30.3	-179.1	-148.2	95.4	0	0	0	112.8	K355	K355-L359 PolarHBondContact O-N 2.77Å
360	L	38.6	Very low	38.2	Very low	123 Å²	123	132 Å²	132	64%	0.644	70%	0.696	S	S	*	*	H	α-helix	trans	-74.3	-32.5	177.6	-150.4	80.9	0	0	0	112.2	E358	E358-L360 VanDerWaalsContact C-N 3.25Å; E358-L360 PolarHBondContact O-N 3.34Å
361	N	43.8	Very low	38	Very low	74 Å²	74	129.7 Å²	129.7	40%	0.396	69%	0.694	S	S	.	*	H	α-helix	trans	-76	-31.6	177.6	-87.1	-29.3	0	0	0	112.8	F357 E358 L363 Q364	F357-N361 PolarHBondContact O-N 2.95Å; E358-N361 PolarHBondContact O-N 3.43Å; E358-N361 VanDerWaalsContact O-N 3.16Å; N361-L363 VanDerWaalsContact C-N 3.33Å; N361-Q364 PolarHBondContact O-N 3.3Å
362	D	47.1	Very low	37.3	Very low	104 Å²	104	131 Å²	131	56%	0.556	70%	0.697	S	S	*	*	H	α-helix	trans	-73.2	-27.3	178.2	-76.1	-19.8	0	0	0	112.5	E358 Q364 K365	E358-D362 PolarHBondContact O-N 2.96Å; E358-D362 VanDerWaalsContact O-N 3.14Å; D362-Q364 VanDerWaalsContact C-N 3.26Å; D362-Q364 PolarHBondContact O-N 2.95Å; D362-K365 PolarHBondContact O-N 3.41Å
363	L	39.6	Very low	37.1	Very low	122 Å²	122	130.7 Å²	130.7	64%	0.639	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-72.8	-16.3	172.7	-75.4	171.1	0	0	0	113.7	N361	N361-L363 VanDerWaalsContact C-N 3.33Å
364	Q	43	Very low	36.2	Very low	160 Å²	160	129 Å²	129	75%	0.748	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-85.6	-2.9	173.8	-87	-174.9	-28.9	0	0	114.3	N361 D362	N361-Q364 PolarHBondContact O-N 3.3Å; D362-Q364 VanDerWaalsContact C-N 3.26Å; D362-Q364 PolarHBondContact O-N 2.95Å
365	K	38.9	Very low	35.7	Very low	170 Å²	170	129.6 Å²	129.6	74%	0.739	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-102.7	19.4	-179.6	-73	-177.8	-177.1	169.2	0	114.9	D362	D362-K365 PolarHBondContact O-N 3.41Å
366	L	30.7	Very low	35	Very low	122 Å²	122	127.4 Å²	127.4	64%	0.639	71%	0.706	S	S	*	*	S	Bend	trans	-90.4	129.9	169.6	-79.4	144.8	0	0	0	109.8	N368	L366-N368 PolarHBondContact O-N 2.69Å
367	P	31.5	Very low	34.6	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	72%	0.719	S	S	*	*			trans	-70.7	118.2	-169.3	27.4	-32.7	0	0	0	110.9	N369	P367-N369 PolarHBondContact O-N 3.1Å
368	N	33.1	Very low	33.8	Very low	162 Å²	162	128.3 Å²	128.3	87%	0.866	72%	0.723	S	S	*	*			trans	-65.2	100.3	172.8	-70.1	-23.5	0	0	0	109.6	L366 S370	L366-N368 PolarHBondContact O-N 2.69Å; N368-S370 PolarHBondContact O-N 3.24Å
369	N	32.4	Very low	32.7	Very low	155 Å²	155	127.4 Å²	127.4	83%	0.829	73%	0.727	S	S	*	*			trans	-63.9	116.4	159.3	-86.6	-15.6	0	0	0	107.9	P367 V371	P367-N369 PolarHBondContact O-N 3.1Å; N369-V371 PolarHBondContact O-N 3.23Å; N369-V371 VanDerWaalsContact O-N 3.16Å
370	S	28.3	Very low	32	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	74%	0.736	S	S	*	*			trans	-58.2	108.8	-179	56.3	0	0	0	0	111.5	N368	N368-S370 PolarHBondContact O-N 3.24Å
371	V	33.1	Very low	31.2	Very low	137 Å²	137	127 Å²	127	83%	0.83	74%	0.74	S	S	*	*			trans	-117.7	110.2	150	-179.3	0	0	0	0	105.8	N369 C373	N369-V371 PolarHBondContact O-N 3.23Å; N369-V371 VanDerWaalsContact O-N 3.16Å; V371-C373 PolarHBondContact O-N 3.37Å
372	D	25.5	Very low	30.1	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	76%	0.756	S	S	*	*			trans	-68.2	111.8	-177.2	-179.9	32.5	0	0	0	110.5
373	C	28.4	Very low	29	Very low	122 Å²	122	130.5 Å²	130.5	82%	0.824	77%	0.768	S	S	*	*			trans	-144.7	102	163.7	-84.9	0	0	0	0	107	V371	V371-C373 PolarHBondContact O-N 3.37Å
374	G	25.2	Very low	28.1	Very low	64 Å²	64	131.2 Å²	131.2	66%	0.66	78%	0.778	S	S	*	*			trans	-78.9	-179.5	-171.6	0	0	0	0	0	116.3
375	D	28.7	Very low	27.2	Very low	153 Å²	153	129.6 Å²	129.6	82%	0.818	78%	0.779	S	S	*	*			trans	83.2	73	158.1	-58.5	-10.6	0	0	0	118.6
376	T	23.2	Very low	26.3	Very low	122 Å²	122	128.3 Å²	128.3	75%	0.748	79%	0.785	S	S	*	*				8.1	120.2	121.8	53.6	0	0	0	0	117.9
377	V	28.9	Very low	26.1	Very low	148 Å²	148	128.8 Å²	128.8	90%	0.897	79%	0.793	S	S	*	*			trans	-136.1	122.4	134.7	179.3	0	0	0	0	109.9
378	T	24.1	Very low	25.8	Very low	115 Å²	115	129.1 Å²	129.1	71%	0.706	79%	0.794	S	S	*	*			trans	-70.3	142.8	-175.5	16.1	0	0	0	0	115.5
379	T	20.6	Very low	25.6	Very low	119 Å²	119	127.4 Å²	127.4	73%	0.73	79%	0.792	S	S	*	*			trans	30.6	124.9	135.7	23	0	0	0	0	120.5
380	S	26.6	Very low	25.2	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	79%	0.79	S	S	*	*				-163.6	99.3	127.8	38.9	0	0	0	0	112.8
381	T	22.3	Very low	25.1	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	79%	0.792	S	S	*	*			trans	1	128.9	138.9	2	0	0	0	0	119.8
382	T	20.5	Very low	25	Very low	119 Å²	119	126.6 Å²	126.6	73%	0.73	79%	0.79	S	S	*	*			trans	36.2	122.2	132	56.3	0	0	0	0	119.9
383	T	24.2	Very low	25.2	Very low	134 Å²	134	126.8 Å²	126.8	82%	0.822	79%	0.791	S	S	*	*				-156.7	118.2	122.8	39.1	0	0	0	0	110.7
384	T	20.1	Very low	25.5	Very low	136 Å²	136	127 Å²	127	83%	0.834	78%	0.784	S	S	*	*			trans	-60	128.4	159.3	41.1	0	0	0	0	111.3
385	T	24.2	Very low	25.8	Very low	126 Å²	126	130 Å²	130	77%	0.773	79%	0.79	S	S	*	*			trans	-135.9	109.7	157.9	45.2	0	0	0	0	110
386	T	19.9	Very low	26.1	Very low	143 Å²	143	130 Å²	130	88%	0.877	79%	0.789	S	S	*	*			trans	-63.8	126.6	168	-23.3	0	0	0	0	109.7
387	T	26.5	Very low	26.8	Very low	132 Å²	132	128.8 Å²	128.8	81%	0.81	78%	0.778	S	S	*	*			trans	-139.9	124	164.6	-8.9	0	0	0	0	110
388	T	25.1	Very low	27.3	Very low	122 Å²	122	129.5 Å²	129.5	75%	0.748	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.6	154.6	-174.3	41.9	0	0	0	0	113.7
389	P	29.3	Very low	28.3	Very low	127 Å²	127	128.4 Å²	128.4	83%	0.825	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84.2	133	-167.2	33.4	-31.6	0	0	0	112.1
390	I	25.3	Very low	29.7	Very low	157 Å²	157	129.5 Å²	129.5	81%	0.805	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-88.1	120.3	172.8	-64.1	171.4	0	0	0	107.9
391	A	25.3	Very low	30.8	Very low	101 Å²	101	126.2 Å²	126.2	84%	0.835	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-66.4	125.9	171.1	0	0	0	0	0	109.7
392	V	32.2	Very low	32.6	Very low	131 Å²	131	122.7 Å²	122.7	79%	0.794	73%	0.725	S	S	*	*			trans	-115.8	121.1	177.2	-156.2	0	0	0	0	108
393	D	28.7	Very low	35.1	Very low	156 Å²	156	123.8 Å²	123.8	83%	0.834	72%	0.722	S	S	*	*			trans	-56.9	137	-173.5	-77.1	-54.8	0	0	0	114.2	V395	D393-V395 PolarHBondContact O-N 2.9Å
394	N	33.8	Very low	37.5	Very low	125 Å²	125	119.9 Å²	119.9	67%	0.668	70%	0.698	S	S	*	*			trans	-96.4	30.9	-163.7	-143.2	3.5	0	0	0	114
395	V	32.9	Very low	40.3	Very low	129 Å²	129	116.2 Å²	116.2	78%	0.782	67%	0.669	S	S	*	*			trans	-91.7	-9.3	-168.9	-177.6	0	0	0	0	114.2	D393	D393-V395 PolarHBondContact O-N 2.9Å
396	L	33.9	Very low	42.8	Very low	153 Å²	153	111.6 Å²	111.6	80%	0.801	65%	0.646	S	S	*	*	S	Bend	trans	-95.2	-4.5	-177.9	-160.5	59	0	0	0	115.7
397	N	38	Very low	45.6	Very low	95 Å²	95	110 Å²	110	51%	0.508	63%	0.631	S	S	.	*	S	Bend	trans	-92.1	-10.4	-173.1	-85.2	-21.2	0	0	0	116	S399 K400	N397-S399 PolarHBondContact O-N 3.08Å; N397-K400 PolarHBondContact O-N 3.27Å
398	Q	39.5	Very low	48.1	Very low	164 Å²	164	104.8 Å²	104.8	77%	0.766	60%	0.598	S	S	*	*	H	α-helix	trans	-71.6	-24.2	-174.6	-73	-179.5	3.9	0	0	114.5	T401	Q398-T401 PolarHBondContact O-OG1 3.23Å
399	S	45.1	Very low	51	Low	91 Å²	91	103.5 Å²	103.5	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-77.6	-25	180	65.8	0	0	0	0	113.8	N397	N397-S399 PolarHBondContact O-N 3.08Å
400	K	50.3	Low	53.5	Low	143 Å²	143	103.4 Å²	103.4	62%	0.622	57%	0.572	S	S	*	*	H	α-helix	trans	-83.5	-31.6	-179.6	-73.8	-175.8	178.1	178.2	0	113.3	N397 G402 Q403 V404	N397-K400 PolarHBondContact O-N 3.27Å; K400-G402 PolarHBondContact O-N 3.07Å; K400-Q403 PolarHBondContact O-N 2.63Å; K400-V404 PolarHBondContact O-N 3.44Å
401	T	49.1	Very low	56.1	Low	48 Å²	48	100.6 Å²	100.6	29%	0.294	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-38.1	-177	56.6	0	0	0	0	112	Q398 V404 R405	Q398-T401 PolarHBondContact O-OG1 3.23Å; T401-V404 PolarHBondContact O-N 3.27Å; T401-R405 PolarHBondContact O-N 2.76Å
402	G	60.4	Low	58.7	Low	45 Å²	45	97 Å²	97	46%	0.464	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-39.8	176.3	0	0	0	0	0	113.6	K400 R405 G406	K400-G402 PolarHBondContact O-N 3.07Å; G402-R405 PolarHBondContact O-N 2.98Å; G402-G406 PolarHBondContact O-N 3.06Å; G402-G406 VanDerWaalsContact O-N 3.1Å
403	Q	73.6	Confident	61.1	Low	141 Å²	141	96 Å²	96	66%	0.659	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-42.7	177.4	-89.1	-176.5	-36.8	0	0	112.4	K400 G406 I407	K400-Q403 PolarHBondContact O-N 2.63Å; Q403-G406 PolarHBondContact O-N 3.08Å; Q403-I407 VanDerWaalsContact O-CG1 3.31Å; Q403-I407 WeakPolarHBondContact O-CG1 3.38Å; Q403-I407 PolarHBondContact O-N 2.55Å; Q403-I407 VanDerWaalsContact O-N 3.1Å
404	V	74.5	Confident	63.6	Low	53 Å²	53	92 Å²	92	32%	0.321	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-46.4	179.9	177.4	0	0	0	0	110.3	K400 T401 G406 I407 L408	K400-V404 PolarHBondContact O-N 3.44Å; T401-V404 PolarHBondContact O-N 3.27Å; V404-G406 VanDerWaalsContact C-N 3.31Å; V404-G406 PolarHBondContact O-N 3.48Å; V404-I407 PolarHBondContact O-N 3.27Å; V404-L408 HydrophobicContact CG1-CD1 3.47Å; V404-L408 VanDerWaalsContact CG1-CD1 3.47Å; V404-L408 WeakPolarHBondContact O-CD1 3.35Å; V404-L408 PolarHBondContact O-N 2.84Å
405	R	78.2	Confident	65.6	Low	59 Å²	59	92.8 Å²	92.8	22%	0.223	52%	0.518	C	S	.	.	H	α-helix	trans	-60.1	-39.3	177.4	-69.1	-173.6	75.8	98.9	-3.4	113.1	T401 G402 L408 R409 V425 E426	T401-R405 PolarHBondContact O-N 2.76Å; G402-R405 PolarHBondContact O-N 2.98Å; R405-L408 PolarHBondContact O-N 2.99Å; R405-R409 WeakPolarHBondContact O-CB 3.33Å; R405-R409 PolarHBondContact O-N 2.69Å; R405-V425 HydrophobicContact CB-CG1 4.48Å; R405-E426 IonicContact CZ-OE1 3.96Å; R405-E426 IonicContact CZ-OE2 3.22Å; R405-E426 IonicContact NH1-OE1 2.68Å; R405-E426 PolarHBondContact NH1-OE1 3.27Å; R405-E426 IonicContact NH1-OE2 2.68Å; R405-E426 PolarHBondContact NH1-OE2 3.29Å; R405-E426 IonicContact NH2-OE2 3.4Å; R405-E426 PolarHBondContact NH2-OE2 2.95Å
406	G	76.9	Confident	67.8	Low	29 Å²	29	88.8 Å²	88.8	30%	0.299	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-48.7	175.9	0	0	0	0	0	112.2	G402 Q403 V404 L408 R409 D410	G402-G406 PolarHBondContact O-N 3.06Å; G402-G406 VanDerWaalsContact O-N 3.1Å; Q403-G406 PolarHBondContact O-N 3.08Å; V404-G406 VanDerWaalsContact C-N 3.31Å; V404-G406 PolarHBondContact O-N 3.48Å; G406-L408 VanDerWaalsContact C-N 3.31Å; G406-L408 PolarHBondContact O-N 3.42Å; G406-R409 PolarHBondContact O-N 2.97Å; G406-R409 VanDerWaalsContact O-N 3.14Å; G406-D410 PolarHBondContact O-N 3.5Å
407	I	78.8	Confident	70	Confident	110 Å²	110	88 Å²	88	56%	0.564	48%	0.484	S	S	*	.	H	α-helix	trans	-60.6	-41.6	177.9	-63.9	163.8	0	0	0	111.2	Q403 V404 V411	Q403-I407 VanDerWaalsContact O-CG1 3.31Å; Q403-I407 WeakPolarHBondContact O-CG1 3.38Å; Q403-I407 PolarHBondContact O-N 2.55Å; Q403-I407 VanDerWaalsContact O-N 3.1Å; V404-I407 PolarHBondContact O-N 3.27Å; I407-V411 VanDerWaalsContact O-CG2 3.26Å; I407-V411 WeakPolarHBondContact O-CG2 3.48Å; I407-V411 PolarHBondContact O-N 3.28Å
408	L	78.8	Confident	71.9	Confident	21 Å²	21	89 Å²	89	11%	0.11	50%	0.496	C	S	.	.	H	α-helix	trans	-62.4	-45	175.9	-89.9	90.2	0	0	0	111.7	V404 R405 G406 V411 L412 V425 L428	V404-L408 HydrophobicContact CG1-CD1 3.47Å; V404-L408 VanDerWaalsContact CG1-CD1 3.47Å; V404-L408 WeakPolarHBondContact O-CD1 3.35Å; V404-L408 PolarHBondContact O-N 2.84Å; R405-L408 PolarHBondContact O-N 2.99Å; G406-L408 VanDerWaalsContact C-N 3.31Å; G406-L408 PolarHBondContact O-N 3.42Å; L408-V411 PolarHBondContact O-N 3.17Å; L408-L412 HydrophobicContact CB-CD1 4.42Å; L408-L412 WeakPolarHBondContact O-CB 3.43Å; L408-L412 WeakPolarHBondContact O-CD1 3.16Å; L408-L412 WeakPolarHBondContact O-CG 3.32Å; L408-L412 PolarHBondContact O-N 3.02Å; L408-V425 HydrophobicContact CB-CG1 4.12Å; L408-L428 HydrophobicContact CD2-CB 3.45Å; L408-L428 VanDerWaalsContact CD2-CB 3.45Å; L408-L428 HydrophobicContact CD2-CD2 3.49Å; L408-L428 VanDerWaalsContact CD2-CD2 3.49Å; L408-L428 HydrophobicContact CD2-CG 3.58Å; L408-L428 HydrophobicContact CG-CD2 4.09Å
409	R	86.2	Confident	73.8	Confident	96 Å²	96	89.7 Å²	89.7	36%	0.362	50%	0.499	S	S	.	.	H	α-helix	trans	-60.8	-46.9	179.7	-161.6	-174.7	-67.9	-118.3	-3.8	110.7	R405 G406 V411 L412 D413 L421 D422 V425	R405-R409 WeakPolarHBondContact O-CB 3.33Å; R405-R409 PolarHBondContact O-N 2.69Å; G406-R409 PolarHBondContact O-N 2.97Å; G406-R409 VanDerWaalsContact O-N 3.14Å; R409-V411 VanDerWaalsContact C-N 3.27Å; R409-V411 PolarHBondContact O-N 3.3Å; R409-L412 PolarHBondContact O-N 3.25Å; R409-D413 VanDerWaalsContact O-CB 3.32Å; R409-D413 WeakPolarHBondContact O-CB 3.32Å; R409-D413 PolarHBondContact O-N 3.42Å; R409-L421 HydrophobicContact CG-CD2 4.28Å; R409-L421 HydrophobicContact CG-CG 4.5Å; R409-D422 IonicContact CZ-OD1 3.12Å; R409-D422 IonicContact NE-OD1 2.7Å; R409-D422 IonicContact NH1-OD1 3.15Å; R409-D422 PolarHBondContact NH1-OD1 2.93Å; R409-D422 IonicContact NH1-OD2 3.86Å; R409-D422 PolarHBondContact NH1-OD2 3.38Å; R409-D422 IonicContact NH2-OD1 2.67Å; R409-D422 PolarHBondContact NH2-OD1 3.32Å; R409-D422 IonicContact NH2-OD2 2.89Å; R409-V425 HydrophobicContact CB-CG2 4.05Å; R409-V425 HydrophobicContact CG-CG2 4.26Å
410	D	81.7	Confident	75.5	Confident	125 Å²	125	89.6 Å²	89.6	67%	0.668	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-32	178.8	-67.5	-9.1	0	0	0	113.3	G406	G406-D410 PolarHBondContact O-N 3.5Å
411	V	81	Confident	77.1	Confident	97 Å²	97	83.6 Å²	83.6	59%	0.588	47%	0.466	S	S	*	.	H	α-helix	trans	-78.5	-33.3	178.4	172.3	0	0	0	0	111.9	I407 L408 R409 L415	I407-V411 VanDerWaalsContact O-CG2 3.26Å; I407-V411 WeakPolarHBondContact O-CG2 3.48Å; I407-V411 PolarHBondContact O-N 3.28Å; L408-V411 PolarHBondContact O-N 3.17Å; R409-V411 VanDerWaalsContact C-N 3.27Å; R409-V411 PolarHBondContact O-N 3.3Å; V411-L415 WeakPolarHBondContact O-CD1 3.15Å
412	L	80.1	Confident	78.8	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.136	47%	0.473	C	S	.	.	H	α-helix	trans	-88.5	-19.3	-177.9	-67.6	157.6	0	0	0	112.2	L408 R409 G414 L415 I416 L421 V425 L428	L408-L412 HydrophobicContact CB-CD1 4.42Å; L408-L412 WeakPolarHBondContact O-CB 3.43Å; L408-L412 WeakPolarHBondContact O-CD1 3.16Å; L408-L412 WeakPolarHBondContact O-CG 3.32Å; L408-L412 PolarHBondContact O-N 3.02Å; R409-L412 PolarHBondContact O-N 3.25Å; L412-G414 PolarHBondContact O-N 2.86Å; L412-L415 PolarHBondContact O-N 3.46Å; L412-I416 HydrophobicContact CB-CD1 4.18Å; L412-I416 HydrophobicContact CD2-CD1 3.34Å; L412-I416 HydrophobicContact CD2-CG1 4.21Å; L412-I416 HydrophobicContact CG-CD1 4.26Å; L412-I416 PolarHBondContact O-N 3.41Å; L412-L421 HydrophobicContact CB-CD1 3.39Å; L412-V425 HydrophobicContact CD1-CG2 3.68Å; L412-L428 HydrophobicContact CD1-CD2 4.19Å
413	D	82.3	Confident	80	Confident	110 Å²	110	84.6 Å²	84.6	59%	0.588	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-62.9	123.4	178.6	-159.2	17.7	0	0	0	110.7	R409 L415 L421	R409-D413 VanDerWaalsContact O-CB 3.32Å; R409-D413 WeakPolarHBondContact O-CB 3.32Å; R409-D413 PolarHBondContact O-N 3.42Å; D413-L415 VanDerWaalsContact C-N 3.32Å; D413-L415 PolarHBondContact O-N 3.11Å; D413-L421 HydrophobicContact CB-CD2 4.37Å
414	G	79.4	Confident	80.5	Confident	73 Å²	73	79.8 Å²	79.8	75%	0.753	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-10.4	-173.8	0	0	0	0	0	116.2	L412	L412-G414 PolarHBondContact O-N 2.86Å
415	L	76.3	Confident	81.2	Confident	141 Å²	141	77.3 Å²	77.3	74%	0.738	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-20.8	171.5	-66.4	179.1	0	0	0	112.9	V411 L412 D413	V411-L415 WeakPolarHBondContact O-CD1 3.15Å; L412-L415 PolarHBondContact O-N 3.46Å; D413-L415 VanDerWaalsContact C-N 3.32Å; D413-L415 PolarHBondContact O-N 3.11Å
416	I	80.4	Confident	81.6	Confident	45 Å²	45	77.8 Å²	77.8	23%	0.231	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-126.7	144.2	-175.7	-57.9	-173	0	0	0	108.9	L412 L420 C424	L412-I416 HydrophobicContact CB-CD1 4.18Å; L412-I416 HydrophobicContact CD2-CD1 3.34Å; L412-I416 HydrophobicContact CD2-CG1 4.21Å; L412-I416 HydrophobicContact CG-CD1 4.26Å; L412-I416 PolarHBondContact O-N 3.41Å; I416-L420 HydrophobicContact CG2-CB 3.72Å; I416-C424 HydrophobicContact CD1-CB 3.68Å
417	E	78.8	Confident	82.2	Confident	135 Å²	135	78 Å²	78	63%	0.631	43%	0.427	S	S	*	.			trans	-55.6	139.4	174	-69.9	-172.2	162.1	0	0	111.3	E419 L420 L421	E417-E419 PolarHBondContact O-N 2.85Å; E417-L420 PolarHBondContact O-N 3.21Å; E417-L421 PolarHBondContact O-N 3.08Å; E417-L421 VanDerWaalsContact O-N 3.07Å
418	P	77.8	Confident	82.4	Confident	118 Å²	118	75.8 Å²	75.8	77%	0.766	42%	0.415	S	S	*	.	H	α-helix	trans	-59.9	-25.8	-172.2	21.4	-32	0	0	0	113.3	L420	P418-L420 VanDerWaalsContact C-N 3.34Å
419	E	79.6	Confident	82.7	Confident	178 Å²	178	75.7 Å²	75.7	83%	0.832	41%	0.414	S	S	*	.	H	α-helix	trans	-71.7	-27.1	176.4	-59.5	-172.9	178.4	0	0	113.1	E417	E417-E419 PolarHBondContact O-N 2.85Å
420	L	81.9	Confident	82.7	Confident	89 Å²	89	71.7 Å²	71.7	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-100.1	-19.2	-177.8	-65.6	173.6	0	0	0	113.2	I416 E417 P418 D422 S423 C424	I416-L420 HydrophobicContact CG2-CB 3.72Å; E417-L420 PolarHBondContact O-N 3.21Å; P418-L420 VanDerWaalsContact C-N 3.34Å; L420-D422 PolarHBondContact O-N 3.11Å; L420-S423 WeakPolarHBondContact O-CB 3.07Å; L420-S423 PolarHBondContact O-N 3.24Å; L420-S423 VanDerWaalsContact O-N 3.08Å; L420-C424 PolarHBondContact O-N 2.97Å; L420-C424 PolarHBondContact O-SG 3.19Å
421	L	83.6	Confident	82.6	Confident	17 Å²	17	69.7 Å²	69.7	9%	0.089	39%	0.389	C	S	.	.	H	α-helix	trans	-51.4	-50	-173.2	180	60.8	0	0	0	112.8	R409 L412 D413 E417 S423 C424 V425	R409-L421 HydrophobicContact CG-CD2 4.28Å; R409-L421 HydrophobicContact CG-CG 4.5Å; L412-L421 HydrophobicContact CB-CD1 3.39Å; D413-L421 HydrophobicContact CB-CD2 4.37Å; E417-L421 PolarHBondContact O-N 3.08Å; E417-L421 VanDerWaalsContact O-N 3.07Å; L421-S423 VanDerWaalsContact C-N 3.31Å; L421-S423 PolarHBondContact O-N 2.89Å; L421-C424 PolarHBondContact O-N 2.91Å; L421-V425 HydrophobicContact CD1-CG2 4.3Å; L421-V425 VanDerWaalsContact O-CG2 3.25Å; L421-V425 WeakPolarHBondContact O-CG2 3.37Å; L421-V425 PolarHBondContact O-N 2.86Å
422	D	84.5	Confident	82.5	Confident	83 Å²	83	69.6 Å²	69.6	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-66.7	-34.7	-177.6	-97.8	-30.7	0	0	0	113.2	R409 L420 E426	R409-D422 IonicContact CZ-OD1 3.12Å; R409-D422 IonicContact NE-OD1 2.7Å; R409-D422 IonicContact NH1-OD1 3.15Å; R409-D422 PolarHBondContact NH1-OD1 2.93Å; R409-D422 IonicContact NH1-OD2 3.86Å; R409-D422 PolarHBondContact NH1-OD2 3.38Å; R409-D422 IonicContact NH2-OD1 2.67Å; R409-D422 PolarHBondContact NH2-OD1 3.32Å; R409-D422 IonicContact NH2-OD2 2.89Å; L420-D422 PolarHBondContact O-N 3.11Å; D422-E426 PolarHBondContact O-N 3.49Å; D422-E426 VanDerWaalsContact O-N 3.1Å
423	S	85.1	Confident	82.6	Confident	31 Å²	31	73 Å²	73	22%	0.217	40%	0.404	C	S	.	.	H	α-helix	trans	-65.5	-45.9	174.6	143.9	0	0	0	0	111.2	L420 L421 V425 E426 D427 R450	L420-S423 WeakPolarHBondContact O-CB 3.07Å; L420-S423 PolarHBondContact O-N 3.24Å; L420-S423 VanDerWaalsContact O-N 3.08Å; L421-S423 VanDerWaalsContact C-N 3.31Å; L421-S423 PolarHBondContact O-N 2.89Å; S423-V425 PolarHBondContact O-N 2.92Å; S423-E426 PolarHBondContact O-N 3.42Å; S423-D427 PolarHBondContact O-N 3.48Å; S423-R450 PolarHBondContact OG-NH1 3.37Å
424	C	84.8	Confident	82.6	Confident	40 Å²	40	71.1 Å²	71.1	27%	0.27	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-37.4	178.2	-65.4	0	0	0	0	112.5	I416 L420 L421 E426 D427 L428	I416-C424 HydrophobicContact CD1-CB 3.68Å; L420-C424 PolarHBondContact O-N 2.97Å; L420-C424 PolarHBondContact O-SG 3.19Å; L421-C424 PolarHBondContact O-N 2.91Å; C424-E426 VanDerWaalsContact C-N 3.34Å; C424-D427 PolarHBondContact O-N 3.35Å; C424-L428 VanDerWaalsContact O-CB 3.25Å; C424-L428 WeakPolarHBondContact O-CB 3.37Å; C424-L428 PolarHBondContact O-N 3.49Å
425	V	89.4	Confident	82.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-40.8	174.8	171.4	0	0	0	0	111	R405 L408 R409 L412 L421 S423 H429	R405-V425 HydrophobicContact CB-CG1 4.48Å; L408-V425 HydrophobicContact CB-CG1 4.12Å; R409-V425 HydrophobicContact CB-CG2 4.05Å; R409-V425 HydrophobicContact CG-CG2 4.26Å; L412-V425 HydrophobicContact CD1-CG2 3.68Å; L421-V425 HydrophobicContact CD1-CG2 4.3Å; L421-V425 VanDerWaalsContact O-CG2 3.25Å; L421-V425 WeakPolarHBondContact O-CG2 3.37Å; L421-V425 PolarHBondContact O-N 2.86Å; S423-V425 PolarHBondContact O-N 2.92Å; V425-H429 VanDerWaalsContact O-CB 3.25Å; V425-H429 WeakPolarHBondContact O-CB 3.34Å; V425-H429 PolarHBondContact O-N 3.48Å
426	E	86.3	Confident	82.9	Confident	70 Å²	70	68 Å²	68	33%	0.327	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-52.1	175.6	-170.4	67.5	-118.2	0	0	111.7	R405 D422 S423 C424 L428 H429 I430	R405-E426 IonicContact CZ-OE1 3.96Å; R405-E426 IonicContact CZ-OE2 3.22Å; R405-E426 IonicContact NH1-OE1 2.68Å; R405-E426 PolarHBondContact NH1-OE1 3.27Å; R405-E426 IonicContact NH1-OE2 2.68Å; R405-E426 PolarHBondContact NH1-OE2 3.29Å; R405-E426 IonicContact NH2-OE2 3.4Å; R405-E426 PolarHBondContact NH2-OE2 2.95Å; D422-E426 PolarHBondContact O-N 3.49Å; D422-E426 VanDerWaalsContact O-N 3.1Å; S423-E426 PolarHBondContact O-N 3.42Å; C424-E426 VanDerWaalsContact C-N 3.34Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 2.84Å; E426-H429 WeakPolarHBondContact O-CB 3.43Å; E426-H429 PolarHBondContact O-N 3.48Å; E426-H429 VanDerWaalsContact O-N 3.11Å; E426-I430 HydrophobicContact CG-CD1 4.17Å; E426-I430 WeakPolarHBondContact O-CG1 3.26Å; E426-I430 PolarHBondContact O-N 3Å
427	D	88.7	Confident	82.6	Confident	34 Å²	34	69.8 Å²	69.8	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-43.3	-178.1	-74.1	-16.8	0	0	0	111.4	S423 C424 H429 I430 L431 L443 R450	S423-D427 PolarHBondContact O-N 3.48Å; C424-D427 PolarHBondContact O-N 3.35Å; D427-H429 VanDerWaalsContact C-N 3.31Å; D427-H429 PolarHBondContact O-N 3.18Å; D427-I430 PolarHBondContact O-N 3.21Å; D427-L431 WeakPolarHBondContact O-CB 3.44Å; D427-L431 VanDerWaalsContact O-CG 3.27Å; D427-L431 WeakPolarHBondContact O-CG 3.31Å; D427-L431 PolarHBondContact O-N 3.4Å; D427-L443 HydrophobicContact CB-CD2 3.94Å; D427-R450 IonicContact OD1-CZ 2.69Å; D427-R450 IonicContact OD1-NH1 2.65Å; D427-R450 PolarHBondContact OD1-NH1 3.35Å; D427-R450 IonicContact OD1-NH2 2.84Å; D427-R450 PolarHBondContact OD1-NH2 2.89Å; D427-R450 IonicContact OD2-CZ 2.76Å; D427-R450 IonicContact OD2-NH1 2.63Å; D427-R450 PolarHBondContact OD2-NH1 3.36Å; D427-R450 IonicContact OD2-NH2 3.77Å; D427-R450 PolarHBondContact OD2-NH2 3.14Å; D427-R450 VanDerWaalsContact OD2-NH2 3.16Å
428	L	82.5	Confident	82.7	Confident	62 Å²	62	67.9 Å²	67.9	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-30.3	179.9	-162	74.9	0	0	0	111.5	L408 L412 C424 E426 L431 T432	L408-L428 HydrophobicContact CD2-CB 3.45Å; L408-L428 VanDerWaalsContact CD2-CB 3.45Å; L408-L428 HydrophobicContact CD2-CD2 3.49Å; L408-L428 VanDerWaalsContact CD2-CD2 3.49Å; L408-L428 HydrophobicContact CD2-CG 3.58Å; L408-L428 HydrophobicContact CG-CD2 4.09Å; L412-L428 HydrophobicContact CD1-CD2 4.19Å; C424-L428 VanDerWaalsContact O-CB 3.25Å; C424-L428 WeakPolarHBondContact O-CB 3.37Å; C424-L428 PolarHBondContact O-N 3.49Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 2.84Å; L428-L431 HydrophobicContact CD1-CD1 4.25Å; L428-L431 PolarHBondContact O-N 2.92Å; L428-T432 PolarHBondContact O-N 2.95Å; L428-T432 PolarHBondContact O-OG1 3.4Å
429	H	85.2	Confident	83.2	Confident	19 Å²	19	64.3 Å²	64.3	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-42.2	170	-167.8	74.8	0	0	0	112.2	V425 E426 D427 T432 Q433	V425-H429 VanDerWaalsContact O-CB 3.25Å; V425-H429 WeakPolarHBondContact O-CB 3.34Å; V425-H429 PolarHBondContact O-N 3.48Å; E426-H429 WeakPolarHBondContact O-CB 3.43Å; E426-H429 PolarHBondContact O-N 3.48Å; E426-H429 VanDerWaalsContact O-N 3.11Å; D427-H429 VanDerWaalsContact C-N 3.31Å; D427-H429 PolarHBondContact O-N 3.18Å; H429-T432 WeakPolarHBondContact CA-OG1 3.32Å; H429-T432 PolarHBondContact O-N 3.49Å; H429-T432 PolarHBondContact O-OG1 3.39Å; H429-Q433 PolarHBondContact CE1-NE2 3.22Å; H429-Q433 PolarHBondContact NE2-NE2 3.39Å; H429-Q433 PolarHBondContact O-N 2.97Å; H429-Q433 VanDerWaalsContact O-N 3.08Å
430	I	86.3	Confident	83.3	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.8	-65.6	165.2	0	0	0	110.2	E426 D427 T432 Q433 H434 M439 L442 L443 A446	E426-I430 HydrophobicContact CG-CD1 4.17Å; E426-I430 WeakPolarHBondContact O-CG1 3.26Å; E426-I430 PolarHBondContact O-N 3Å; D427-I430 PolarHBondContact O-N 3.21Å; I430-T432 VanDerWaalsContact C-N 3.28Å; I430-T432 PolarHBondContact O-N 2.88Å; I430-Q433 PolarHBondContact O-N 2.89Å; I430-H434 WeakPolarHBondContact O-CB 3.46Å; I430-H434 PolarHBondContact O-N 3.27Å; I430-M439 HydrophobicContact CG2-CG 4.38Å; I430-L442 HydrophobicContact CD1-CB 4.35Å; I430-L442 HydrophobicContact CG2-CB 3.73Å; I430-L442 HydrophobicContact CG2-CD1 4.37Å; I430-L443 HydrophobicContact CB-CD2 4.1Å; I430-L443 HydrophobicContact CD1-CD2 4.15Å; I430-L443 HydrophobicContact CG2-CD2 4.03Å; I430-L443 HydrophobicContact CG2-CG 3.89Å; I430-A446 HydrophobicContact CD1-CB 4.1Å
431	L	79.7	Confident	83.6	Confident	83 Å²	83	59.8 Å²	59.8	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-30.1	177.8	-71.7	172.7	0	0	0	113.1	D427 L428 M439 L443	D427-L431 WeakPolarHBondContact O-CB 3.44Å; D427-L431 VanDerWaalsContact O-CG 3.27Å; D427-L431 WeakPolarHBondContact O-CG 3.31Å; D427-L431 PolarHBondContact O-N 3.4Å; L428-L431 HydrophobicContact CD1-CD1 4.25Å; L428-L431 PolarHBondContact O-N 2.92Å; L431-M439 HydrophobicContact CD2-CE 4.3Å; L431-M439 HydrophobicContact CD2-CG 3.89Å; L431-M439 HydrophobicContact CD2-SD 3.48Å; L431-M439 WeakPolarHBondContact CD2-SD 3.34Å; L431-L443 HydrophobicContact CD2-CD1 3.91Å; L431-L443 HydrophobicContact CG-CD1 4.46Å
432	T	80.5	Confident	83.8	Confident	95 Å²	95	60.6 Å²	60.6	58%	0.583	34%	0.342	S	S	*	.	H	α-helix	trans	-82	-33.8	177.9	18.8	0	0	0	0	113.2	L428 H429 I430	L428-T432 PolarHBondContact O-N 2.95Å; L428-T432 PolarHBondContact O-OG1 3.4Å; H429-T432 WeakPolarHBondContact CA-OG1 3.32Å; H429-T432 PolarHBondContact O-N 3.49Å; H429-T432 PolarHBondContact O-OG1 3.39Å; I430-T432 VanDerWaalsContact C-N 3.28Å; I430-T432 PolarHBondContact O-N 2.88Å
433	Q	81	Confident	83.8	Confident	96 Å²	96	58.4 Å²	58.4	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-92.9	-25.1	-176.6	-69.4	-151.2	34.6	0	0	114.4	H429 I430	H429-Q433 PolarHBondContact CE1-NE2 3.22Å; H429-Q433 PolarHBondContact NE2-NE2 3.39Å; H429-Q433 PolarHBondContact O-N 2.97Å; H429-Q433 VanDerWaalsContact O-N 3.08Å; I430-Q433 PolarHBondContact O-N 2.89Å
434	H	81.9	Confident	83.9	Confident	72 Å²	72	59.5 Å²	59.5	33%	0.333	34%	0.34	S	S	.	.			trans	-124	148.6	-173.8	-57.3	-67.1	0	0	0	110.8	I430 M439 L442	I430-H434 WeakPolarHBondContact O-CB 3.46Å; I430-H434 PolarHBondContact O-N 3.27Å; H434-M439 HydrophobicContact CB-CB 3.99Å; H434-L442 HydrophobicContact CB-CD1 4.29Å; H434-L442 WeakPolarHBondContact CD2-CD1 3.06Å
435	S	80.2	Confident	84.1	Confident	103 Å²	103	61.3 Å²	61.3	72%	0.72	35%	0.345	S	S	*	.			trans	-135.1	157.5	175.7	57.9	0	0	0	0	111.1
436	G	82.3	Confident	83.8	Confident	46 Å²	46	62.3 Å²	62.3	47%	0.474	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-144.8	178.3	0	0	0	0	0	113.8	K438 M439 C440	G436-K438 VanDerWaalsContact C-N 3.33Å; G436-K438 PolarHBondContact O-N 3.09Å; G436-M439 WeakPolarHBondContact O-CB 3.39Å; G436-M439 PolarHBondContact O-N 3.44Å; G436-C440 PolarHBondContact O-N 2.79Å
437	T	75.2	Confident	83.7	Confident	82 Å²	82	64 Å²	64	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-31.3	-174.1	48.4	0	0	0	0	113.8	M439 C440 Q441	T437-M439 VanDerWaalsContact C-N 3.32Å; T437-M439 PolarHBondContact O-N 3.17Å; T437-C440 PolarHBondContact O-N 2.91Å; T437-Q441 WeakPolarHBondContact O-CB 3.26Å; T437-Q441 PolarHBondContact O-N 3.38Å
438	K	79.9	Confident	83.3	Confident	95 Å²	95	68.7 Å²	68.7	41%	0.413	38%	0.382	S	S	.	.	H	α-helix	trans	-66.9	-36.2	177.6	-175.1	54.8	178.5	164.5	0	111.8	G436 Q441 L442	G436-K438 VanDerWaalsContact C-N 3.33Å; G436-K438 PolarHBondContact O-N 3.09Å; K438-Q441 PolarHBondContact O-N 3.36Å; K438-L442 HydrophobicContact CD-CD1 4.39Å; K438-L442 HydrophobicContact CD-CG 4.3Å; K438-L442 HydrophobicContact CG-CD1 4.21Å; K438-L442 WeakPolarHBondContact O-CB 3.5Å; K438-L442 VanDerWaalsContact O-CG 3.29Å; K438-L442 WeakPolarHBondContact O-CG 3.46Å; K438-L442 PolarHBondContact O-N 2.68Å
439	M	88.2	Confident	83.2	Confident	42 Å²	42	72.8 Å²	72.8	21%	0.207	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-48.6	171	175.5	-160.7	80.2	0	0	110.5	I430 L431 H434 G436 T437 Q441 L442 L443	I430-M439 HydrophobicContact CG2-CG 4.38Å; L431-M439 HydrophobicContact CD2-CE 4.3Å; L431-M439 HydrophobicContact CD2-CG 3.89Å; L431-M439 HydrophobicContact CD2-SD 3.48Å; L431-M439 WeakPolarHBondContact CD2-SD 3.34Å; H434-M439 HydrophobicContact CB-CB 3.99Å; G436-M439 WeakPolarHBondContact O-CB 3.39Å; G436-M439 PolarHBondContact O-N 3.44Å; T437-M439 VanDerWaalsContact C-N 3.32Å; T437-M439 PolarHBondContact O-N 3.17Å; M439-Q441 VanDerWaalsContact C-N 3.32Å; M439-Q441 PolarHBondContact O-N 2.95Å; M439-L442 PolarHBondContact O-N 3.29Å; M439-L443 HydrophobicContact CG-CD1 3.96Å; M439-L443 WeakPolarHBondContact O-CB 3.49Å; M439-L443 VanDerWaalsContact O-CG 3.29Å; M439-L443 WeakPolarHBondContact O-CG 3.44Å; M439-L443 PolarHBondContact O-N 2.95Å
440	C	81.2	Confident	83	Confident	74 Å²	74	75.7 Å²	75.7	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-59.5	-40.9	176.6	-61.1	0	0	0	0	112.8	G436 T437 A444	G436-C440 PolarHBondContact O-N 2.79Å; T437-C440 PolarHBondContact O-N 2.91Å; C440-A444 WeakPolarHBondContact O-CB 3.39Å; C440-A444 PolarHBondContact O-N 3.18Å
441	Q	88.7	Confident	82.6	Confident	98 Å²	98	79.4 Å²	79.4	46%	0.458	43%	0.429	S	S	.	.	H	α-helix	trans	-64	-47.7	177.2	-176.2	-174	-3	0	0	111.6	T437 K438 M439 L443 A444 E445	T437-Q441 WeakPolarHBondContact O-CB 3.26Å; T437-Q441 PolarHBondContact O-N 3.38Å; K438-Q441 PolarHBondContact O-N 3.36Å; M439-Q441 VanDerWaalsContact C-N 3.32Å; M439-Q441 PolarHBondContact O-N 2.95Å; Q441-L443 VanDerWaalsContact C-N 3.34Å; Q441-L443 PolarHBondContact O-N 2.84Å; Q441-A444 PolarHBondContact O-N 3.32Å; Q441-E445 WeakPolarHBondContact CG-OE1 3.37Å; Q441-E445 PolarHBondContact NE2-OE1 3.05Å; Q441-E445 WeakPolarHBondContact O-CG 3.42Å; Q441-E445 PolarHBondContact O-N 3.49Å
442	L	88.8	Confident	82.4	Confident	35 Å²	35	78.5 Å²	78.5	18%	0.183	43%	0.43	C	S	.	.	H	α-helix	trans	-66.2	-36.5	-179.7	-71.3	171.4	0	0	0	112.1	I430 H434 K438 M439 E445 A446	I430-L442 HydrophobicContact CD1-CB 4.35Å; I430-L442 HydrophobicContact CG2-CB 3.73Å; I430-L442 HydrophobicContact CG2-CD1 4.37Å; H434-L442 HydrophobicContact CB-CD1 4.29Å; H434-L442 WeakPolarHBondContact CD2-CD1 3.06Å; K438-L442 HydrophobicContact CD-CD1 4.39Å; K438-L442 HydrophobicContact CD-CG 4.3Å; K438-L442 HydrophobicContact CG-CD1 4.21Å; K438-L442 WeakPolarHBondContact O-CB 3.5Å; K438-L442 VanDerWaalsContact O-CG 3.29Å; K438-L442 WeakPolarHBondContact O-CG 3.46Å; K438-L442 PolarHBondContact O-N 2.68Å; M439-L442 PolarHBondContact O-N 3.29Å; L442-E445 PolarHBondContact O-N 2.81Å; L442-A446 WeakPolarHBondContact O-CB 3.39Å; L442-A446 PolarHBondContact O-N 2.89Å
443	L	84.4	Confident	82	Confident	37 Å²	37	76.6 Å²	76.6	19%	0.194	42%	0.424	C	S	.	.	H	α-helix	trans	-65.8	-41	174	-72	169.8	0	0	0	111.6	D427 I430 L431 M439 Q441 A446 E447	D427-L443 HydrophobicContact CB-CD2 3.94Å; I430-L443 HydrophobicContact CB-CD2 4.1Å; I430-L443 HydrophobicContact CD1-CD2 4.15Å; I430-L443 HydrophobicContact CG2-CD2 4.03Å; I430-L443 HydrophobicContact CG2-CG 3.89Å; L431-L443 HydrophobicContact CD2-CD1 3.91Å; L431-L443 HydrophobicContact CG-CD1 4.46Å; M439-L443 HydrophobicContact CG-CD1 3.96Å; M439-L443 WeakPolarHBondContact O-CB 3.49Å; M439-L443 VanDerWaalsContact O-CG 3.29Å; M439-L443 WeakPolarHBondContact O-CG 3.44Å; M439-L443 PolarHBondContact O-N 2.95Å; Q441-L443 VanDerWaalsContact C-N 3.34Å; Q441-L443 PolarHBondContact O-N 2.84Å; L443-A446 PolarHBondContact O-N 3.34Å; L443-E447 WeakPolarHBondContact O-CB 3.42Å; L443-E447 PolarHBondContact O-N 3.5Å
444	A	87.5	Confident	81.2	Confident	53 Å²	53	74.8 Å²	74.8	44%	0.438	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.6	0	0	0	0	0	112	C440 Q441 A446 E447 E448	C440-A444 WeakPolarHBondContact O-CB 3.39Å; C440-A444 PolarHBondContact O-N 3.18Å; Q441-A444 PolarHBondContact O-N 3.32Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.41Å; A444-E447 PolarHBondContact O-N 3.22Å; A444-E448 WeakPolarHBondContact O-CB 3.43Å; A444-E448 PolarHBondContact O-N 3Å
445	E	88	Confident	80.1	Confident	78 Å²	78	74.6 Å²	74.6	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-40.5	173.9	-73.6	168.8	-167.9	0	0	111.3	Q441 L442 H449	Q441-E445 WeakPolarHBondContact CG-OE1 3.37Å; Q441-E445 PolarHBondContact NE2-OE1 3.05Å; Q441-E445 WeakPolarHBondContact O-CG 3.42Å; Q441-E445 PolarHBondContact O-N 3.49Å; L442-E445 PolarHBondContact O-N 2.81Å; E445-H449 PolarHBondContact O-CD2 3.04Å; E445-H449 PolarHBondContact O-N 3.2Å
446	A	84.1	Confident	78.9	Confident	21 Å²	21	73.2 Å²	73.2	17%	0.174	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-40.2	175.4	0	0	0	0	0	112.2	I430 L442 L443 A444 H449 R450	I430-A446 HydrophobicContact CD1-CB 4.1Å; L442-A446 WeakPolarHBondContact O-CB 3.39Å; L442-A446 PolarHBondContact O-N 2.89Å; L443-A446 PolarHBondContact O-N 3.34Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.41Å; A446-H449 PolarHBondContact O-N 3.28Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 3.37Å; A446-R450 VanDerWaalsContact O-N 3.09Å
447	E	82.8	Confident	77.5	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-66.2	-43.7	175.7	-167.4	175.8	-176.5	0	0	112.4	L443 A444 H449 R450 N451	L443-E447 WeakPolarHBondContact O-CB 3.42Å; L443-E447 PolarHBondContact O-N 3.5Å; A444-E447 PolarHBondContact O-N 3.22Å; E447-H449 VanDerWaalsContact C-N 3.29Å; E447-H449 PolarHBondContact O-N 3.43Å; E447-R450 WeakPolarHBondContact O-CB 3.49Å; E447-R450 PolarHBondContact O-N 3.36Å; E447-R450 VanDerWaalsContact O-N 3.11Å; E447-N451 PolarHBondContact O-N 3.4Å
448	E	81.4	Confident	76.1	Confident	131 Å²	131	76.2 Å²	76.2	61%	0.612	42%	0.42	S	S	*	.	H	α-helix	trans	-62.2	-37.4	175.7	-170.7	177.3	-177.7	0	0	111.9	A444 N451 S452	A444-E448 WeakPolarHBondContact O-CB 3.43Å; A444-E448 PolarHBondContact O-N 3Å; E448-N451 PolarHBondContact O-N 3.18Å; E448-S452 WeakPolarHBondContact O-CB 3.24Å; E448-S452 PolarHBondContact O-N 3.49Å; E448-S452 PolarHBondContact O-OG 3.27Å
449	H	79.9	Confident	74.4	Confident	148 Å²	148	77.5 Å²	77.5	69%	0.685	43%	0.428	S	S	*	.	H	α-helix	trans	-62.9	-41.3	172.4	-98.6	-78.5	0	0	0	112.6	E445 A446 E447 S452 A453	E445-H449 PolarHBondContact O-CD2 3.04Å; E445-H449 PolarHBondContact O-N 3.2Å; A446-H449 PolarHBondContact O-N 3.28Å; E447-H449 VanDerWaalsContact C-N 3.29Å; E447-H449 PolarHBondContact O-N 3.43Å; H449-S452 PolarHBondContact O-N 3.5Å; H449-A453 WeakPolarHBondContact O-CB 3.41Å; H449-A453 PolarHBondContact O-N 3.1Å
450	R	81.3	Confident	72.3	Confident	81 Å²	81	84.1 Å²	84.1	31%	0.306	46%	0.455	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.3	-72.9	-176.3	-70.9	-140.6	-6.6	111.4	S423 D427 A446 E447 S452 A453 S454	S423-R450 PolarHBondContact OG-NH1 3.37Å; D427-R450 IonicContact OD1-CZ 2.69Å; D427-R450 IonicContact OD1-NH1 2.65Å; D427-R450 PolarHBondContact OD1-NH1 3.35Å; D427-R450 IonicContact OD1-NH2 2.84Å; D427-R450 PolarHBondContact OD1-NH2 2.89Å; D427-R450 IonicContact OD2-CZ 2.76Å; D427-R450 IonicContact OD2-NH1 2.63Å; D427-R450 PolarHBondContact OD2-NH1 3.36Å; D427-R450 IonicContact OD2-NH2 3.77Å; D427-R450 PolarHBondContact OD2-NH2 3.14Å; D427-R450 VanDerWaalsContact OD2-NH2 3.16Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 3.37Å; A446-R450 VanDerWaalsContact O-N 3.09Å; E447-R450 WeakPolarHBondContact O-CB 3.49Å; E447-R450 PolarHBondContact O-N 3.36Å; E447-R450 VanDerWaalsContact O-N 3.11Å; R450-S452 VanDerWaalsContact C-N 3.33Å; R450-S452 PolarHBondContact O-N 3.29Å; R450-A453 PolarHBondContact O-N 3.41Å; R450-S454 PolarHBondContact O-N 3.4Å
451	N	77.1	Confident	70.4	Confident	91 Å²	91	87.9 Å²	87.9	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-45.4	177.5	-67.5	-13.1	0	0	0	110.5	E447 E448 A453 S454 V455	E447-N451 PolarHBondContact O-N 3.4Å; E448-N451 PolarHBondContact O-N 3.18Å; N451-A453 VanDerWaalsContact C-N 3.32Å; N451-A453 PolarHBondContact O-N 3.35Å; N451-S454 PolarHBondContact O-N 2.97Å; N451-S454 PolarHBondContact O-OG 3.22Å; N451-V455 WeakPolarHBondContact O-CG2 3.34Å; N451-V455 PolarHBondContact O-N 3.39Å; N451-V455 VanDerWaalsContact O-N 3.08Å
452	S	76.5	Confident	68	Low	63 Å²	63	88.8 Å²	88.8	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-34.7	178	-57.9	0	0	0	0	113.4	E448 H449 R450 S456	E448-S452 WeakPolarHBondContact O-CB 3.24Å; E448-S452 PolarHBondContact O-N 3.49Å; E448-S452 PolarHBondContact O-OG 3.27Å; H449-S452 PolarHBondContact O-N 3.5Å; R450-S452 VanDerWaalsContact C-N 3.33Å; R450-S452 PolarHBondContact O-N 3.29Å; S452-S456 PolarHBondContact O-N 3.07Å; S452-S456 VanDerWaalsContact O-N 3.11Å; S452-S456 PolarHBondContact O-OG 3.46Å
453	A	71.8	Confident	65.4	Low	56 Å²	56	93.1 Å²	93.1	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-69.1	-39.5	175.3	0	0	0	0	0	112	H449 R450 N451 S456 S457	H449-A453 WeakPolarHBondContact O-CB 3.41Å; H449-A453 PolarHBondContact O-N 3.1Å; R450-A453 PolarHBondContact O-N 3.41Å; N451-A453 VanDerWaalsContact C-N 3.32Å; N451-A453 PolarHBondContact O-N 3.35Å; A453-S456 PolarHBondContact O-N 2.85Å; A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 VanDerWaalsContact O-N 3.11Å; A453-S457 PolarHBondContact O-OG 2.97Å
454	S	63.5	Low	63.1	Low	57 Å²	57	99.6 Å²	99.6	40%	0.399	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.6	68.5	0	0	0	0	111.9	R450 N451 S456 S457 E458	R450-S454 PolarHBondContact O-N 3.4Å; N451-S454 PolarHBondContact O-N 2.97Å; N451-S454 PolarHBondContact O-OG 3.22Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 3.1Å; S454-S457 VanDerWaalsContact O-CB 3.3Å; S454-S457 WeakPolarHBondContact O-CB 3.38Å; S454-S457 PolarHBondContact O-N 3.46Å; S454-E458 PolarHBondContact O-N 3.05Å
455	V	59.3	Low	60.4	Low	68 Å²	68	104 Å²	104	41%	0.412	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-37.5	176.6	-179.6	0	0	0	0	112.2	N451 S457 E458 Q459	N451-V455 WeakPolarHBondContact O-CG2 3.34Å; N451-V455 PolarHBondContact O-N 3.39Å; N451-V455 VanDerWaalsContact O-N 3.08Å; V455-S457 VanDerWaalsContact C-N 3.28Å; V455-S457 PolarHBondContact O-N 2.93Å; V455-E458 PolarHBondContact O-N 3.46Å; V455-Q459 WeakPolarHBondContact O-CB 3.45Å; V455-Q459 PolarHBondContact O-N 3.01Å
456	S	54.9	Low	57.4	Low	75 Å²	75	104.6 Å²	104.6	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-68.2	-28.9	176	-66.2	0	0	0	0	112.9	S452 A453 S454 K460	S452-S456 PolarHBondContact O-N 3.07Å; S452-S456 VanDerWaalsContact O-N 3.11Å; S452-S456 PolarHBondContact O-OG 3.46Å; A453-S456 PolarHBondContact O-N 2.85Å; S454-S456 VanDerWaalsContact C-N 3.34Å; S454-S456 PolarHBondContact O-N 3.1Å; S456-K460 PolarHBondContact O-N 3.08Å
457	S	52.6	Low	54.7	Low	75 Å²	75	111.2 Å²	111.2	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-70.9	-44.8	175.3	-47.8	0	0	0	0	110.6	A453 S454 V455 K460 Q461	A453-S457 PolarHBondContact O-N 3.14Å; A453-S457 VanDerWaalsContact O-N 3.11Å; A453-S457 PolarHBondContact O-OG 2.97Å; S454-S457 VanDerWaalsContact O-CB 3.3Å; S454-S457 WeakPolarHBondContact O-CB 3.38Å; S454-S457 PolarHBondContact O-N 3.46Å; V455-S457 VanDerWaalsContact C-N 3.28Å; V455-S457 PolarHBondContact O-N 2.93Å; S457-K460 PolarHBondContact O-N 3.03Å; S457-Q461 PolarHBondContact O-N 3.36Å
458	E	47	Very low	52.4	Low	115 Å²	115	112 Å²	112	54%	0.537	61%	0.614	S	S	.	*	H	α-helix	trans	-67.4	-40.6	176.6	-69.8	178	154.6	0	0	111.7	S454 V455 K460 Q461 I462	S454-E458 PolarHBondContact O-N 3.05Å; V455-E458 PolarHBondContact O-N 3.46Å; E458-K460 PolarHBondContact O-N 2.94Å; E458-Q461 CarbonylContact O-C 3.5Å; E458-Q461 WeakPolarHBondContact O-CA 3.35Å; E458-Q461 PolarHBondContact O-N 3.25Å; E458-I462 HydrophobicContact CB-CD1 4.49Å; E458-I462 WeakPolarHBondContact O-CD1 3.45Å; E458-I462 VanDerWaalsContact O-CG1 3.23Å; E458-I462 WeakPolarHBondContact O-CG1 3.33Å; E458-I462 PolarHBondContact O-N 2.99Å
459	Q	43.5	Very low	49.9	Very low	123 Å²	123	115.6 Å²	115.6	58%	0.575	63%	0.627	S	S	*	*	H	α-helix	trans	-66.9	-24.1	174.8	-88.5	173.8	-19.2	0	0	113.5	V455 Q461	V455-Q459 WeakPolarHBondContact O-CB 3.45Å; V455-Q459 PolarHBondContact O-N 3.01Å; Q459-Q461 VanDerWaalsContact C-N 3.33Å
460	K	43.1	Very low	47.9	Very low	181 Å²	181	114 Å²	114	79%	0.787	63%	0.63	S	S	*	*	H	α-helix	trans	-74.5	-23.8	169.8	-121.9	177.7	-178.8	-178.5	0	112.9	S456 S457 E458	S456-K460 PolarHBondContact O-N 3.08Å; S457-K460 PolarHBondContact O-N 3.03Å; E458-K460 PolarHBondContact O-N 2.94Å
461	Q	41.3	Very low	45.4	Very low	152 Å²	152	115.5 Å²	115.5	71%	0.71	65%	0.653	S	S	*	*	H	α-helix	trans	-86.9	-23.6	172.7	-82.1	-179.6	-10.9	0	0	113.4	S457 E458 Q459 V463	S457-Q461 PolarHBondContact O-N 3.36Å; E458-Q461 CarbonylContact O-C 3.5Å; E458-Q461 WeakPolarHBondContact O-CA 3.35Å; E458-Q461 PolarHBondContact O-N 3.25Å; Q459-Q461 VanDerWaalsContact C-N 3.33Å; Q461-V463 PolarHBondContact O-N 3.23Å
462	I	39.1	Very low	43	Very low	118 Å²	118	118.2 Å²	118.2	61%	0.605	67%	0.668	S	S	*	*	H	α-helix	trans	-79.4	-14.2	-178.1	-65.6	161.1	0	0	0	113.1	E458 E464	E458-I462 HydrophobicContact CB-CD1 4.49Å; E458-I462 WeakPolarHBondContact O-CD1 3.45Å; E458-I462 VanDerWaalsContact O-CG1 3.23Å; E458-I462 WeakPolarHBondContact O-CG1 3.33Å; E458-I462 PolarHBondContact O-N 2.99Å; I462-E464 VanDerWaalsContact C-N 3.27Å; I462-E464 PolarHBondContact O-N 3.16Å
463	V	34.2	Very low	40.7	Very low	126 Å²	126	122.2 Å²	122.2	76%	0.764	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-13.7	175.1	-179.9	0	0	0	0	113.2	Q461	Q461-V463 PolarHBondContact O-N 3.23Å
464	E	35.7	Very low	38.5	Very low	172 Å²	172	127.7 Å²	127.7	80%	0.804	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-8.8	179.6	-80.7	-168.4	156.7	0	0	115.8	I462	I462-E464 VanDerWaalsContact C-N 3.27Å; I462-E464 PolarHBondContact O-N 3.16Å
465	N	30.9	Very low	36.6	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	72%	0.72	S	S	*	*			trans	-122.6	67.1	-175.9	-69.5	-31.7	0	0	0	112.1
466	A	26.3	Very low	35	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	74%	0.742	S	S	*	*			trans	-104.8	93.2	164.5	0	0	0	0	0	109.6
467	D	27.5	Very low	33.5	Very low	160 Å²	160	136.8 Å²	136.8	86%	0.856	75%	0.749	S	S	*	*			trans	-179.3	102.6	140.6	-109.1	-20.7	0	0	0	110.3
468	S	32.6	Very low	32.2	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	76%	0.763	S	S	*	*			trans	164.7	132.4	134	-72.5	0	0	0	0	111
469	K	29.8	Very low	31.1	Very low	205 Å²	205	141.6 Å²	141.6	89%	0.891	78%	0.776	S	S	*	*			trans	-76.7	158	-161.2	-141.4	163.6	174	-178.6	0	113.4
470	P	37.8	Very low	30.3	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	79%	0.789	S	S	*	*			trans	-90.6	158.9	-172.3	34.5	-24.3	0	0	0	112.6
471	S	29.4	Very low	29.4	Very low	114 Å²	114	141 Å²	141	80%	0.797	79%	0.794	S	S	*	*			trans	-132.4	122.5	166.1	56.2	0	0	0	0	110
472	D	25.3	Very low	28.7	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	80%	0.803	S	S	*	*			trans	-63.1	137.7	-176.8	-49.4	-71.6	0	0	0	113.5
473	V	30.1	Very low	28.2	Very low	147 Å²	147	143.5 Å²	143.5	89%	0.891	81%	0.812	S	S	*	*			trans	-140	108	149.9	-173.9	0	0	0	0	107.9
474	E	25.2	Very low	27.9	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	82%	0.817	S	S	*	*			trans	-67.4	134.4	175.3	-80.7	175.6	147.4	0	0	112.3
475	E	23.9	Very low	27.7	Very low	155 Å²	155	146.1 Å²	146.1	72%	0.724	82%	0.819	S	S	*	*				54.2	120.8	121.5	-145.8	172.2	-147.7	0	0	119.2
476	T	24.7	Very low	27.8	Very low	143 Å²	143	144.8 Å²	144.8	88%	0.877	82%	0.82	S	S	*	*				-166.4	118	123.2	23.2	0	0	0	0	111.1
477	S	23	Very low	28	Very low	94 Å²	94	147.1 Å²	147.1	66%	0.657	83%	0.825	S	S	*	*			trans	-82.5	130.5	178	37.4	0	0	0	0	110.5
478	I	27	Very low	28	Very low	160 Å²	160	144.7 Å²	144.7	82%	0.821	82%	0.82	S	S	*	*			trans	-114.2	105	165.7	-57.4	175.5	0	0	0	106.9
479	T	23.2	Very low	27.8	Very low	131 Å²	131	147 Å²	147	80%	0.804	82%	0.822	S	S	*	*			trans	-92.9	112.3	174.5	38.9	0	0	0	0	108.9
480	E	25.9	Very low	27.7	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	82%	0.817	S	S	*	*			trans	-122.6	125	165	-80.6	-169.7	161	0	0	111.1
481	A	25.3	Very low	27.4	Very low	107 Å²	107	147.9 Å²	147.9	88%	0.884	82%	0.821	S	S	*	*			trans	-78.3	116.4	-167.2	0	0	0	0	0	112.1	S483	A481-S483 PolarHBondContact O-N 3.08Å
482	K	26.7	Very low	27.7	Very low	206 Å²	206	148.3 Å²	148.3	90%	0.896	82%	0.821	S	S	*	*			trans	-75.8	114.7	170.9	-110.7	172.2	177	173.1	0	110.5
483	S	28.3	Very low	28.1	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	82%	0.818	S	S	*	*			trans	-66.1	131.5	170.1	40.6	0	0	0	0	111.2	A481	A481-S483 PolarHBondContact O-N 3.08Å
484	K	27.2	Very low	28.6	Very low	198 Å²	198	149.2 Å²	149.2	86%	0.861	82%	0.816	S	S	*	*			trans	-91.4	102.6	-178.1	-67.1	175.1	178.4	176	0	110
485	D	32.7	Very low	29	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	82%	0.816	S	S	*	*			trans	-94.4	134.4	166	-91	-24	0	0	0	110.9	T487	D485-T487 PolarHBondContact O-N 2.91Å
486	S	32.1	Very low	29.2	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	82%	0.817	S	S	*	*			trans	-71.3	112.9	-172.1	55.4	0	0	0	0	112.6	C488	S486-C488 PolarHBondContact O-N 3.12Å
487	T	29.9	Very low	29.5	Very low	139 Å²	139	144.9 Å²	144.9	85%	0.853	81%	0.813	S	S	*	*			trans	-75.3	101.2	174.9	24.3	0	0	0	0	111.5	D485	D485-T487 PolarHBondContact O-N 2.91Å
488	C	27.5	Very low	29.9	Very low	110 Å²	110	146 Å²	146	74%	0.743	82%	0.816	S	S	*	*			trans	-80	126.7	155.5	-179.4	0	0	0	0	107.7	S486 K490	S486-C488 PolarHBondContact O-N 3.12Å; C488-K490 PolarHBondContact O-N 3.41Å
489	L	28.2	Very low	30	Very low	173 Å²	173	144.2 Å²	144.2	91%	0.906	81%	0.813	S	S	*	*			trans	-60.6	88.7	-177.7	-62	169.5	0	0	0	111
490	K	29.4	Very low	30.5	Very low	181 Å²	181	144.9 Å²	144.9	79%	0.787	81%	0.81	S	S	*	*			trans	-100.9	133.5	162.6	-85.6	-178.5	174.6	177.9	0	108.4	C488	C488-K490 PolarHBondContact O-N 3.41Å
491	L	30.8	Very low	30.6	Very low	157 Å²	157	142 Å²	142	82%	0.822	81%	0.806	S	S	*	*			trans	-47.9	140.5	169.5	-91.3	80.2	0	0	0	109.5	V493	L491-V493 PolarHBondContact O-N 3.04Å
492	P	34.9	Very low	30.8	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	80%	0.8	S	S	*	*			trans	-59.2	111.2	-172.8	23.6	-31.6	0	0	0	109.3	F494	P492-F494 PolarHBondContact O-N 3.08Å
493	V	35.4	Very low	31	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	80%	0.8	S	S	*	*			trans	-62.3	120.8	170.2	173.1	0	0	0	0	106.2	L491 I495	L491-V493 PolarHBondContact O-N 3.04Å; V493-I495 PolarHBondContact O-N 3.3Å
494	F	39	Very low	31	Very low	191 Å²	191	146.5 Å²	146.5	84%	0.838	80%	0.801	S	S	*	*			trans	-38.4	124.7	175.6	-87.4	-97.6	0	0	0	111.1	P492 S496	P492-F494 PolarHBondContact O-N 3.08Å; F494-S496 PolarHBondContact O-N 2.97Å
495	I	34.4	Very low	31.2	Very low	155 Å²	155	145.7 Å²	145.7	80%	0.795	80%	0.8	S	S	*	*			trans	-35.4	108.9	173.3	-6.3	174.3	0	0	0	109.6	V493 S497	V493-I495 PolarHBondContact O-N 3.3Å; I495-S497 PolarHBondContact O-N 3.32Å
496	S	28.8	Very low	31.3	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	80%	0.8	S	S	*	*			trans	-65.6	126.1	169.9	-69.5	0	0	0	0	107.2	F494 T498	F494-S496 PolarHBondContact O-N 2.97Å; S496-T498 PolarHBondContact O-N 2.9Å
497	S	30	Very low	31.3	Very low	115 Å²	115	150 Å²	150	80%	0.804	80%	0.804	S	S	*	*			trans	-43.3	101.9	-175.2	-51.2	0	0	0	0	111.4	I495 T499	I495-S497 PolarHBondContact O-N 3.32Å; S497-T499 PolarHBondContact O-N 2.84Å
498	T	32	Very low	31.9	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.724	80%	0.8	S	S	*	*			trans	-58.2	114.7	174	-35.6	0	0	0	0	106.5	S496 I500	S496-T498 PolarHBondContact O-N 2.9Å; T498-I500 VanDerWaalsContact C-N 3.34Å; T498-I500 PolarHBondContact O-N 3.4Å
499	T	28.1	Very low	32.8	Very low	123 Å²	123	153 Å²	153	76%	0.755	81%	0.806	S	S	*	*			trans	-68.4	99.3	176.8	-51.9	0	0	0	0	106.2	S497 T501	S497-T499 PolarHBondContact O-N 2.84Å; T499-T501 PolarHBondContact O-N 2.87Å
500	I	33.5	Very low	33.6	Very low	144 Å²	144	152.7 Å²	152.7	74%	0.738	81%	0.806	S	S	*	*			trans	-55.8	107.3	172.5	-61.8	170.3	0	0	0	105.9	T498 T502	T498-I500 VanDerWaalsContact C-N 3.34Å; T498-I500 PolarHBondContact O-N 3.4Å; I500-T502 VanDerWaalsContact C-N 3.35Å; I500-T502 HydrophobicContact CG2-CG2 4.39Å; I500-T502 PolarHBondContact O-N 3.15Å
501	T	28.8	Very low	35.1	Very low	125 Å²	125	149.4 Å²	149.4	77%	0.767	80%	0.796	S	S	*	*			trans	-73	97.6	173.9	39.1	0	0	0	0	106.3	T499 K503	T499-T501 PolarHBondContact O-N 2.87Å; T501-K503 VanDerWaalsContact C-N 3.26Å; T501-K503 PolarHBondContact O-N 2.67Å
502	T	29.1	Very low	36.4	Very low	125 Å²	125	150 Å²	150	77%	0.767	80%	0.8	S	S	*	*			trans	-68.1	87.2	175.1	45.1	0	0	0	0	109	I500 K504	I500-T502 VanDerWaalsContact C-N 3.35Å; I500-T502 HydrophobicContact CG2-CG2 4.39Å; I500-T502 PolarHBondContact O-N 3.15Å; T502-K504 PolarHBondContact O-N 2.7Å
503	K	30.7	Very low	37.8	Very low	203 Å²	203	147.9 Å²	147.9	88%	0.883	79%	0.785	S	S	*	*			trans	-67.8	115	153.9	-85.9	-175.8	177.3	177.2	0	106.7	T501 E505	T501-K503 VanDerWaalsContact C-N 3.26Å; T501-K503 PolarHBondContact O-N 2.67Å; K503-E505 PolarHBondContact O-N 2.76Å
504	K	29.5	Very low	39.1	Very low	195 Å²	195	149.3 Å²	149.3	85%	0.848	79%	0.788	S	S	*	*			trans	-73.5	108.8	-177.8	-173.1	-174	-168.7	-177.4	0	108	T502	T502-K504 PolarHBondContact O-N 2.7Å
505	E	29.8	Very low	40.4	Very low	180 Å²	180	147.8 Å²	147.8	84%	0.841	78%	0.778	S	S	*	*			trans	-159.6	117.9	158.6	-107.4	155	-139.8	0	0	110.2	K503	K503-E505 PolarHBondContact O-N 2.76Å
506	D	36.5	Very low	42.3	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	77%	0.765	S	S	*	*			trans	48.4	129.5	157.9	-58.7	-25.7	0	0	0	123.6	V508	D506-V508 PolarHBondContact O-N 3.42Å
507	K	31.5	Very low	44.3	Very low	211 Å²	211	148.3 Å²	148.3	92%	0.917	77%	0.771	S	S	*	*			trans	-59.9	119.5	-178.2	-64.5	172.7	175	180	0	111.3
508	V	43.1	Very low	46.5	Very low	126 Å²	126	149.4 Å²	149.4	76%	0.764	77%	0.768	S	S	*	*			trans	-119.3	129.4	159	-176.3	0	0	0	0	106.6	D506	D506-V508 PolarHBondContact O-N 3.42Å
509	E	44.4	Very low	48.5	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	75%	0.753	S	S	*	*			trans	-65.9	137.8	-174.9	-67.5	176.2	154.4	0	0	110.7	D511	E509-D511 PolarHBondContact O-N 2.94Å
510	D	46.9	Very low	51.1	Low	168 Å²	168	146 Å²	146	90%	0.898	74%	0.74	S	S	*	*			trans	-61.2	92.3	-173.2	-62	-53.4	0	0	0	111.6
511	D	60.3	Low	53.3	Low	111 Å²	111	144.6 Å²	144.6	59%	0.594	73%	0.734	S	S	*	*			trans	-87.9	118.3	160.2	-162.5	-10.6	0	0	0	107	E509 T513	E509-D511 PolarHBondContact O-N 2.94Å; D511-T513 PolarHBondContact O-N 2.92Å; D511-T513 PolarHBondContact OD1-OG1 3.33Å
512	D	57.9	Low	55.7	Low	169 Å²	169	144.1 Å²	144.1	90%	0.904	72%	0.723	S	S	*	*			trans	-68	27.5	-178.8	-89.8	-26.9	0	0	0	112.5	L514	D512-L514 PolarHBondContact O-N 2.82Å
513	T	63.4	Low	58.3	Low	79 Å²	79	142.4 Å²	142.4	49%	0.485	71%	0.706	S	S	.	*			trans	-80.3	109.2	174.5	-56.7	0	0	0	0	108	D511 Y515	D511-T513 PolarHBondContact O-N 2.92Å; D511-T513 PolarHBondContact OD1-OG1 3.33Å; T513-Y515 VanDerWaalsContact O-CD2 3.28Å; T513-Y515 WeakPolarHBondContact O-CD2 3.41Å; T513-Y515 PolarHBondContact O-N 3.47Å
514	L	64.5	Low	60.6	Low	154 Å²	154	136 Å²	136	81%	0.806	68%	0.681	S	S	*	*			trans	-57.5	105.3	172.6	-108.7	149.9	0	0	0	108.8	D512 T516	D512-L514 PolarHBondContact O-N 2.82Å; L514-T516 PolarHBondContact O-N 3.27Å; L514-T516 VanDerWaalsContact O-N 3.15Å
515	Y	65.4	Low	62.9	Low	158 Å²	158	131.1 Å²	131.1	62%	0.62	67%	0.665	S	S	*	*			trans	-68.3	106.9	171.1	-65.4	-83.7	0	0	0	108.1	T513	T513-Y515 VanDerWaalsContact O-CD2 3.28Å; T513-Y515 WeakPolarHBondContact O-CD2 3.41Å; T513-Y515 PolarHBondContact O-N 3.47Å
516	T	73.5	Confident	65.1	Low	86 Å²	86	130.7 Å²	130.7	53%	0.528	66%	0.655	S	S	.	*			trans	-101.1	8.2	177.3	57.4	0	0	0	0	112.5	L514 D518 I519	L514-T516 PolarHBondContact O-N 3.27Å; L514-T516 VanDerWaalsContact O-N 3.15Å; T516-D518 PolarHBondContact O-N 3.46Å; T516-I519 HydrophobicContact CG2-CD1 4.11Å; T516-I519 WeakPolarHBondContact O-CB 3.45Å; T516-I519 PolarHBondContact O-N 3.15Å
517	E	71.6	Confident	67	Low	187 Å²	187	130.1 Å²	130.1	87%	0.874	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-10.7	-177.7	-63.9	-174.5	173.3	0	0	113.5
518	D	76.1	Confident	69.2	Low	138 Å²	138	127.2 Å²	127.2	74%	0.738	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	0.9	174.4	66	-25	0	0	0	113.4	T516	T516-D518 PolarHBondContact O-N 3.46Å
519	I	73.9	Confident	71	Confident	78 Å²	78	126.1 Å²	126.1	40%	0.4	62%	0.621	S	S	.	*			trans	-89.8	112.2	176.1	-57.9	-179.5	0	0	0	108.1	T516 D521 L524	T516-I519 HydrophobicContact CG2-CD1 4.11Å; T516-I519 WeakPolarHBondContact O-CB 3.45Å; T516-I519 PolarHBondContact O-N 3.15Å; I519-D521 PolarHBondContact O-N 2.96Å; I519-L524 HydrophobicContact CG2-CD1 3.23Å; I519-L524 HydrophobicContact CG2-CG 4.1Å
520	D	81.7	Confident	72.8	Confident	90 Å²	90	120.6 Å²	120.6	48%	0.481	60%	0.597	S	S	.	*			trans	-75.8	101.8	171.4	-171	-19.3	0	0	0	109	E522 E523 L524	D520-E522 PolarHBondContact O-N 2.86Å; D520-E522 WeakPolarHBondContact OD1-CB 3.49Å; D520-E522 PolarHBondContact OD1-N 3.35Å; D520-E523 HydrophobicContact CB-CB 3.9Å; D520-E523 WeakPolarHBondContact O-CB 3.41Å; D520-E523 PolarHBondContact O-N 2.88Å; D520-E523 PolarHBondContact OD1-N 3.37Å; D520-L524 PolarHBondContact O-N 2.92Å; D520-L524 VanDerWaalsContact O-N 3.12Å
521	D	80.2	Confident	74.4	Confident	115 Å²	115	117.1 Å²	117.1	62%	0.615	58%	0.576	S	S	*	*	H	α-helix	trans	-56.8	-31.2	178.6	-68.2	-28.3	0	0	0	111.7	I519 L524 D525	I519-D521 PolarHBondContact O-N 2.96Å; D521-L524 PolarHBondContact O-N 3.4Å; D521-D525 PolarHBondContact O-N 2.86Å
522	E	79.6	Confident	75.6	Confident	116 Å²	116	116.3 Å²	116.3	54%	0.542	58%	0.576	S	S	.	*	H	α-helix	trans	-72.4	-30	176.1	-62.6	-169.7	178.5	0	0	112.7	D520 R526	D520-E522 PolarHBondContact O-N 2.86Å; D520-E522 WeakPolarHBondContact OD1-CB 3.49Å; D520-E522 PolarHBondContact OD1-N 3.35Å; E522-R526 WeakPolarHBondContact O-CB 3.28Å; E522-R526 WeakPolarHBondContact O-CG 3.43Å; E522-R526 PolarHBondContact O-N 2.83Å; E522-R526 PolarHBondContact O-NE 3.41Å; E522-R526 IonicContact OE2-CZ 3.59Å; E522-R526 IonicContact OE2-NH2 2.74Å; E522-R526 PolarHBondContact OE2-NH2 2.84Å
523	E	83.6	Confident	76.5	Confident	89 Å²	89	116.9 Å²	116.9	42%	0.416	57%	0.566	S	S	.	*	H	α-helix	trans	-68.7	-43.2	172.3	-173.2	-174.5	161.9	0	0	110.3	D520 D525 R526 E527 Y528	D520-E523 HydrophobicContact CB-CB 3.9Å; D520-E523 WeakPolarHBondContact O-CB 3.41Å; D520-E523 PolarHBondContact O-N 2.88Å; D520-E523 PolarHBondContact OD1-N 3.37Å; E523-D525 PolarHBondContact O-N 3.12Å; E523-R526 PolarHBondContact O-N 3.37Å; E523-E527 HydrophobicContact CG-CG 4.4Å; E523-E527 WeakPolarHBondContact O-CB 3.46Å; E523-E527 PolarHBondContact O-N 3.44Å; E523-Y528 HydrophobicContact CG-CE2 4.37Å
524	L	78.1	Confident	77.5	Confident	67 Å²	67	117.8 Å²	117.8	35%	0.351	57%	0.565	S	S	.	*	I	π-helix	trans	-59.5	-47.6	176.9	-84.8	172	0	0	0	112.4	I519 D520 D521 R526 Y528 L529	I519-L524 HydrophobicContact CG2-CD1 3.23Å; I519-L524 HydrophobicContact CG2-CG 4.1Å; D520-L524 PolarHBondContact O-N 2.92Å; D520-L524 VanDerWaalsContact O-N 3.12Å; D521-L524 PolarHBondContact O-N 3.4Å; L524-R526 VanDerWaalsContact C-N 3.32Å; L524-R526 PolarHBondContact O-N 2.96Å; L524-Y528 HydrophobicContact CD2-CD2 4Å; L524-Y528 HydrophobicContact CD2-CG 4.09Å; L524-Y528 WeakPolarHBondContact O-CB 3.31Å; L524-Y528 PolarHBondContact O-N 3.29Å; L524-L529 PolarHBondContact O-N 3.17Å
525	D	78.5	Confident	78.3	Confident	94 Å²	94	115 Å²	115	50%	0.503	55%	0.549	S	S	.	.	I	π-helix	trans	-65.4	-33.3	179.4	-80.4	-17.5	0	0	0	113.1	D521 E523 L529 Q531	D521-D525 PolarHBondContact O-N 2.86Å; E523-D525 PolarHBondContact O-N 3.12Å; D525-L529 WeakPolarHBondContact OD1-CD1 3.39Å; D525-Q531 PolarHBondContact O-NE2 3.3Å
526	R	76.5	Confident	79.2	Confident	170 Å²	170	112.9 Å²	112.9	64%	0.642	55%	0.547	S	S	*	.	I	π-helix	trans	-85.7	-41.3	-178.3	-69.5	178.9	-140.3	-100	8.4	113.5	E522 E523 L524	E522-R526 WeakPolarHBondContact O-CB 3.28Å; E522-R526 WeakPolarHBondContact O-CG 3.43Å; E522-R526 PolarHBondContact O-N 2.83Å; E522-R526 PolarHBondContact O-NE 3.41Å; E522-R526 IonicContact OE2-CZ 3.59Å; E522-R526 IonicContact OE2-NH2 2.74Å; E522-R526 PolarHBondContact OE2-NH2 2.84Å; E523-R526 PolarHBondContact O-N 3.37Å; L524-R526 VanDerWaalsContact C-N 3.32Å; L524-R526 PolarHBondContact O-N 2.96Å
527	E	75.4	Confident	79.6	Confident	142 Å²	142	113.6 Å²	113.6	66%	0.664	55%	0.547	S	S	*	.	I	π-helix	trans	-103.8	-27.5	-169.7	-62.5	-163.3	174.1	0	0	114.1	E523	E523-E527 HydrophobicContact CG-CG 4.4Å; E523-E527 WeakPolarHBondContact O-CB 3.46Å; E523-E527 PolarHBondContact O-N 3.44Å
528	Y	78.8	Confident	80.2	Confident	150 Å²	150	111.2 Å²	111.2	59%	0.588	53%	0.534	S	S	*	.	I	π-helix	trans	-113.2	-33.3	-169.8	-65	-88.6	0	0	0	113.7	E523 L524	E523-Y528 HydrophobicContact CG-CE2 4.37Å; L524-Y528 HydrophobicContact CD2-CD2 4Å; L524-Y528 HydrophobicContact CD2-CG 4.09Å; L524-Y528 WeakPolarHBondContact O-CB 3.31Å; L524-Y528 PolarHBondContact O-N 3.29Å
529	L	80	Confident	80.6	Confident	103 Å²	103	106.4 Å²	106.4	54%	0.539	51%	0.513	S	S	.	.	S	Bend	trans	-83.5	122.2	172.8	-76.7	154.7	0	0	0	110	L524 D525 Q531	L524-L529 PolarHBondContact O-N 3.17Å; D525-L529 WeakPolarHBondContact OD1-CD1 3.39Å; L529-Q531 PolarHBondContact O-N 2.8Å
530	L	82.2	Confident	81.2	Confident	69 Å²	69	105.5 Å²	105.5	36%	0.361	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.6	125	177	-87	71.4	0	0	0	108.7	E534 I535 K538	L530-E534 WeakPolarHBondContact CA-OE2 3.42Å; L530-E534 HydrophobicContact CB-CB 4.05Å; L530-E534 HydrophobicContact CD2-CB 4.17Å; L530-E534 HydrophobicContact CG-CB 4.09Å; L530-I535 HydrophobicContact CB-CD1 4.38Å; L530-I535 HydrophobicContact CB-CG1 3.59Å; L530-I535 HydrophobicContact CD2-CG1 4.46Å; L530-I535 WeakPolarHBondContact O-CD1 3.4Å; L530-K538 HydrophobicContact CD2-CB 4.46Å; L530-K538 HydrophobicContact CD2-CD 3.65Å
531	Q	81.4	Confident	81.4	Confident	95 Å²	95	106.4 Å²	106.4	44%	0.444	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-57.5	149.1	173.7	-66.8	-67.5	-39.1	0	0	109.3	D525 L529 R533 E534 I535	D525-Q531 PolarHBondContact O-NE2 3.3Å; L529-Q531 PolarHBondContact O-N 2.8Å; Q531-R533 CarbonylContact O-C 3.32Å; Q531-R533 PolarHBondContact O-N 3.45Å; Q531-E534 HydrophobicContact CB-CG 4.29Å; Q531-E534 PolarHBondContact N-OE2 3.05Å; Q531-E534 WeakPolarHBondContact O-CA 3.47Å; Q531-E534 WeakPolarHBondContact O-CB 3.44Å; Q531-E534 PolarHBondContact O-N 2.86Å; Q531-I535 PolarHBondContact O-N 3.22Å
532	P	85.7	Confident	81.9	Confident	93 Å²	93	107.3 Å²	107.3	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-48.7	-34.4	-179	-30.7	35.3	0	0	0	113.6	M536	P532-M536 WeakPolarHBondContact O-CG 3.42Å; P532-M536 PolarHBondContact O-N 3.29Å; P532-M536 VanDerWaalsContact O-N 3.11Å
533	R	77.3	Confident	82.4	Confident	182 Å²	182	107.5 Å²	107.5	69%	0.687	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-42.3	173.7	-173.7	176.4	-179.5	-79.4	-2.1	114	Q531 M536 L537	Q531-R533 CarbonylContact O-C 3.32Å; Q531-R533 PolarHBondContact O-N 3.45Å; R533-M536 PolarHBondContact O-N 3.18Å; R533-L537 PolarHBondContact O-N 2.75Å; R533-L537 VanDerWaalsContact O-N 3.08Å
534	E	82.5	Confident	82.5	Confident	98 Å²	98	111.8 Å²	111.8	46%	0.458	53%	0.532	S	S	.	.	H	α-helix	trans	-72	-37.6	179	-62.4	-177.6	142.9	0	0	111.7	L530 Q531 M536 L537 K538	L530-E534 WeakPolarHBondContact CA-OE2 3.42Å; L530-E534 HydrophobicContact CB-CB 4.05Å; L530-E534 HydrophobicContact CD2-CB 4.17Å; L530-E534 HydrophobicContact CG-CB 4.09Å; Q531-E534 HydrophobicContact CB-CG 4.29Å; Q531-E534 PolarHBondContact N-OE2 3.05Å; Q531-E534 WeakPolarHBondContact O-CA 3.47Å; Q531-E534 WeakPolarHBondContact O-CB 3.44Å; Q531-E534 PolarHBondContact O-N 2.86Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 2.86Å; E534-L537 PolarHBondContact O-N 3.41Å; E534-K538 VanDerWaalsContact O-CB 3.28Å; E534-K538 WeakPolarHBondContact O-CB 3.49Å; E534-K538 PolarHBondContact O-N 3.24Å
535	I	82.6	Confident	82.8	Confident	94 Å²	94	112.4 Å²	112.4	48%	0.482	55%	0.547	S	S	.	.	H	α-helix	trans	-57	-47.8	171.9	-60.5	177.4	0	0	0	109.6	L530 Q531 L537 K538 A539	L530-I535 HydrophobicContact CB-CD1 4.38Å; L530-I535 HydrophobicContact CB-CG1 3.59Å; L530-I535 HydrophobicContact CD2-CG1 4.46Å; L530-I535 WeakPolarHBondContact O-CD1 3.4Å; Q531-I535 PolarHBondContact O-N 3.22Å; I535-L537 PolarHBondContact O-N 3.15Å; I535-K538 PolarHBondContact O-N 3.19Å; I535-A539 VanDerWaalsContact O-CB 3.27Å; I535-A539 WeakPolarHBondContact O-CB 3.35Å; I535-A539 PolarHBondContact O-N 3.37Å
536	M	83.3	Confident	83.2	Confident	114 Å²	114	110.2 Å²	110.2	56%	0.562	54%	0.535	S	S	*	.	H	α-helix	trans	-61	-43.3	176.9	-73.7	-165.7	-65.3	0	0	112.6	P532 R533 E534 A539 A540	P532-M536 WeakPolarHBondContact O-CG 3.42Å; P532-M536 PolarHBondContact O-N 3.29Å; P532-M536 VanDerWaalsContact O-N 3.11Å; R533-M536 PolarHBondContact O-N 3.18Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 2.86Å; M536-A539 PolarHBondContact O-N 2.84Å; M536-A540 WeakPolarHBondContact O-CB 3.48Å; M536-A540 PolarHBondContact O-N 3.48Å
537	L	83.1	Confident	83.8	Confident	102 Å²	102	104.6 Å²	104.6	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-44.1	179.5	-157.8	76.2	0	0	0	111.3	R533 E534 I535 A540 I541	R533-L537 PolarHBondContact O-N 2.75Å; R533-L537 VanDerWaalsContact O-N 3.08Å; E534-L537 PolarHBondContact O-N 3.41Å; I535-L537 PolarHBondContact O-N 3.15Å; L537-A540 PolarHBondContact O-N 3.4Å; L537-I541 HydrophobicContact CG-CD1 4.4Å; L537-I541 VanDerWaalsContact O-CG1 3.31Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å; L537-I541 PolarHBondContact O-N 3.44Å
538	K	82.9	Confident	84.3	Confident	137 Å²	137	105.8 Å²	105.8	60%	0.596	53%	0.531	S	S	*	.	H	α-helix	trans	-63	-43.1	176.1	-173	175	-179.9	-179.5	0	111.3	L530 E534 I535 I541 W542	L530-K538 HydrophobicContact CD2-CB 4.46Å; L530-K538 HydrophobicContact CD2-CD 3.65Å; E534-K538 VanDerWaalsContact O-CB 3.28Å; E534-K538 WeakPolarHBondContact O-CB 3.49Å; E534-K538 PolarHBondContact O-N 3.24Å; I535-K538 PolarHBondContact O-N 3.19Å; K538-I541 PolarHBondContact O-N 2.87Å; K538-W542 VanDerWaalsContact O-CB 3.27Å; K538-W542 WeakPolarHBondContact O-CB 3.32Å; K538-W542 PolarHBondContact O-N 2.98Å
539	A	84.6	Confident	84.6	Confident	37 Å²	37	104 Å²	104	31%	0.306	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174.9	0	0	0	0	0	111.3	I535 M536 I541 W542 F543	I535-A539 VanDerWaalsContact O-CB 3.27Å; I535-A539 WeakPolarHBondContact O-CB 3.35Å; I535-A539 PolarHBondContact O-N 3.37Å; M536-A539 PolarHBondContact O-N 2.84Å; A539-I541 PolarHBondContact O-N 3.36Å; A539-W542 PolarHBondContact O-N 3.14Å; A539-F543 HydrophobicContact CB-CD2 4.46Å; A539-F543 HydrophobicContact CB-CE2 4.38Å; A539-F543 WeakPolarHBondContact O-CD2 3.32Å; A539-F543 PolarHBondContact O-N 3.01Å
540	A	87.8	Confident	85	Confident	59 Å²	59	101.9 Å²	101.9	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-44.7	178.6	0	0	0	0	0	112.5	M536 L537 F543 K544	M536-A540 WeakPolarHBondContact O-CB 3.48Å; M536-A540 PolarHBondContact O-N 3.48Å; L537-A540 PolarHBondContact O-N 3.4Å; A540-F543 PolarHBondContact O-N 3.35Å; A540-K544 WeakPolarHBondContact O-CB 3.42Å; A540-K544 PolarHBondContact O-N 2.93Å
541	I	84.4	Confident	85.2	Confident	108 Å²	108	103.6 Å²	103.6	55%	0.554	52%	0.522	S	S	*	.	H	α-helix	trans	-62.4	-45	175.6	-67.3	166.9	0	0	0	110.3	L537 K538 A539 K544 A545	L537-I541 HydrophobicContact CG-CD1 4.4Å; L537-I541 VanDerWaalsContact O-CG1 3.31Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å; L537-I541 PolarHBondContact O-N 3.44Å; K538-I541 PolarHBondContact O-N 2.87Å; A539-I541 PolarHBondContact O-N 3.36Å; I541-K544 PolarHBondContact O-N 2.9Å; I541-A545 WeakPolarHBondContact O-CB 3.41Å; I541-A545 PolarHBondContact O-N 3.49Å
542	W	92.1	Very high	85.3	Confident	134 Å²	134	103 Å²	103	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-44.5	179.3	-173.8	92.6	0	0	0	112.1	K538 A539 K544 A545 N546 L550	K538-W542 VanDerWaalsContact O-CB 3.27Å; K538-W542 WeakPolarHBondContact O-CB 3.32Å; K538-W542 PolarHBondContact O-N 2.98Å; A539-W542 PolarHBondContact O-N 3.14Å; W542-K544 VanDerWaalsContact C-N 3.33Å; W542-K544 PolarHBondContact O-N 3.2Å; W542-A545 PolarHBondContact O-N 3.23Å; W542-N546 VanDerWaalsContact CE2-ND2 3.26Å; W542-N546 HydrophobicContact CH2-CB 4.42Å; W542-N546 HydrophobicContact CZ2-CB 4.38Å; W542-N546 HydrophobicContact CZ3-CB 4.5Å; W542-N546 PolarHBondContact NE1-ND2 2.92Å; W542-N546 WeakPolarHBondContact O-CB 3.11Å; W542-N546 PolarHBondContact O-N 3Å; W542-N546 PolarHBondContact O-ND2 3.41Å; W542-L550 HydrophobicContact CZ3-CD1 4.17Å
543	F	88.6	Confident	85.4	Confident	120 Å²	120	100.5 Å²	100.5	53%	0.526	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-40.7	176.4	-81.7	-62.5	0	0	0	112	A539 A540 N546 A547 L550	A539-F543 HydrophobicContact CB-CD2 4.46Å; A539-F543 HydrophobicContact CB-CE2 4.38Å; A539-F543 WeakPolarHBondContact O-CD2 3.32Å; A539-F543 PolarHBondContact O-N 3.01Å; A540-F543 PolarHBondContact O-N 3.35Å; F543-N546 PolarHBondContact O-N 3.25Å; F543-A547 WeakPolarHBondContact O-CA 3.39Å; F543-A547 WeakPolarHBondContact O-CB 3.37Å; F543-A547 PolarHBondContact O-N 3.36Å; F543-L550 HydrophobicContact CD1-CD1 3.75Å; F543-L550 HydrophobicContact CE1-CD1 4.15Å
544	K	86.6	Confident	85.9	Confident	180 Å²	180	100.7 Å²	100.7	78%	0.783	51%	0.507	S	S	*	.	H	α-helix	trans	-65.1	-44.2	177.1	-170.9	175.7	-178.6	179.5	0	111.7	A540 I541 W542	A540-K544 WeakPolarHBondContact O-CB 3.42Å; A540-K544 PolarHBondContact O-N 2.93Å; I541-K544 PolarHBondContact O-N 2.9Å; W542-K544 VanDerWaalsContact C-N 3.33Å; W542-K544 PolarHBondContact O-N 3.2Å
545	A	84.5	Confident	86.2	Confident	80 Å²	80	101.8 Å²	101.8	66%	0.661	51%	0.51	S	S	*	.	H	α-helix	trans	-68	-33.4	178.5	0	0	0	0	0	112.9	I541 W542	I541-A545 WeakPolarHBondContact O-CB 3.41Å; I541-A545 PolarHBondContact O-N 3.49Å; W542-A545 PolarHBondContact O-N 3.23Å
546	N	87.9	Confident	86.4	Confident	48 Å²	48	104.9 Å²	104.9	26%	0.257	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.4	-176.8	-65.9	-79.7	0	0	0	114.1	W542 F543 E548 H549 L550	W542-N546 VanDerWaalsContact CE2-ND2 3.26Å; W542-N546 HydrophobicContact CH2-CB 4.42Å; W542-N546 HydrophobicContact CZ2-CB 4.38Å; W542-N546 HydrophobicContact CZ3-CB 4.5Å; W542-N546 PolarHBondContact NE1-ND2 2.92Å; W542-N546 WeakPolarHBondContact O-CB 3.11Å; W542-N546 PolarHBondContact O-N 3Å; W542-N546 PolarHBondContact O-ND2 3.41Å; F543-N546 PolarHBondContact O-N 3.25Å; N546-E548 PolarHBondContact O-N 2.84Å; N546-H549 PolarHBondContact O-N 3.16Å; N546-L550 WeakPolarHBondContact O-CG 3.36Å; N546-L550 PolarHBondContact O-N 2.92Å
547	A	89.2	Confident	86.6	Confident	52 Å²	52	106.5 Å²	106.5	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-56.8	-47	-174.1	0	0	0	0	0	112.6	F543 H549 L550 E551	F543-A547 WeakPolarHBondContact O-CA 3.39Å; F543-A547 WeakPolarHBondContact O-CB 3.37Å; F543-A547 PolarHBondContact O-N 3.36Å; A547-H549 VanDerWaalsContact C-N 3.34Å; A547-H549 PolarHBondContact O-N 3.11Å; A547-L550 PolarHBondContact O-N 3.32Å; A547-E551 PolarHBondContact O-N 2.95Å
548	E	85.6	Confident	86.8	Confident	167 Å²	167	106.8 Å²	106.8	78%	0.78	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-41.2	179.2	-167.9	-176.9	178.3	0	0	111.7	N546 E551 L552	N546-E548 PolarHBondContact O-N 2.84Å; E548-E551 PolarHBondContact O-N 3.23Å; E548-L552 WeakPolarHBondContact O-CB 3.43Å; E548-L552 PolarHBondContact O-N 3.45Å
549	H	83.9	Confident	87	Confident	113 Å²	113	102.5 Å²	102.5	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-66.4	-38.9	177.8	-177.7	-98.1	0	0	0	112.4	N546 A547 S553	N546-H549 PolarHBondContact O-N 3.16Å; A547-H549 VanDerWaalsContact C-N 3.34Å; A547-H549 PolarHBondContact O-N 3.11Å; H549-S553 WeakPolarHBondContact O-CB 3.01Å; H549-S553 PolarHBondContact O-N 3.43Å; H549-S553 PolarHBondContact O-OG 3.4Å
550	L	89.5	Confident	87.2	Confident	58 Å²	58	107.8 Å²	107.8	30%	0.304	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-40.5	175.6	-72.9	167.4	0	0	0	111.6	W542 F543 N546 A547 S553 R554	W542-L550 HydrophobicContact CZ3-CD1 4.17Å; F543-L550 HydrophobicContact CD1-CD1 3.75Å; F543-L550 HydrophobicContact CE1-CD1 4.15Å; N546-L550 WeakPolarHBondContact O-CG 3.36Å; N546-L550 PolarHBondContact O-N 2.92Å; A547-L550 PolarHBondContact O-N 3.32Å; L550-S553 PolarHBondContact O-N 3.36Å; L550-R554 WeakPolarHBondContact O-CG 3.36Å; L550-R554 PolarHBondContact O-N 3.46Å
551	E	85.4	Confident	87.1	Confident	104 Å²	104	109.3 Å²	109.3	49%	0.486	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-45.8	175.7	-166.1	-172.6	157.2	0	0	111.5	A547 E548 S553 R554 K555	A547-E551 PolarHBondContact O-N 2.95Å; E548-E551 PolarHBondContact O-N 3.23Å; E551-S553 VanDerWaalsContact C-N 3.26Å; E551-S553 PolarHBondContact O-N 2.99Å; E551-R554 PolarHBondContact O-N 2.73Å; E551-R554 VanDerWaalsContact O-N 3.12Å; E551-K555 PolarHBondContact O-N 3.29Å; E551-K555 WeakPolarHBondContact OE1-CE 3.48Å; E551-K555 IonicContact OE1-NZ 3.91Å; E551-K555 PolarHBondContact OE1-NZ 3.27Å
552	L	84.8	Confident	87.1	Confident	83 Å²	83	109.9 Å²	109.9	44%	0.435	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-40.4	175.5	-167.4	75.4	0	0	0	111.2	E548 K555 R556	E548-L552 WeakPolarHBondContact O-CB 3.43Å; E548-L552 PolarHBondContact O-N 3.45Å; L552-K555 PolarHBondContact O-N 3.36Å; L552-R556 WeakPolarHBondContact O-CB 3.44Å; L552-R556 WeakPolarHBondContact O-CG 3.49Å; L552-R556 PolarHBondContact O-N 3.42Å
553	S	86.2	Confident	86.7	Confident	40 Å²	40	110.1 Å²	110.1	28%	0.28	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.1	-67.4	0	0	0	0	112.4	H549 L550 E551 K557	H549-S553 WeakPolarHBondContact O-CB 3.01Å; H549-S553 PolarHBondContact O-N 3.43Å; H549-S553 PolarHBondContact O-OG 3.4Å; L550-S553 PolarHBondContact O-N 3.36Å; E551-S553 VanDerWaalsContact C-N 3.26Å; E551-S553 PolarHBondContact O-N 2.99Å; S553-K557 WeakPolarHBondContact O-CG 3.43Å; S553-K557 PolarHBondContact O-N 3.19Å; S553-K557 VanDerWaalsContact O-N 3.11Å
554	R	88	Confident	86.4	Confident	187 Å²	187	108.5 Å²	108.5	71%	0.706	53%	0.526	S	S	*	.	H	α-helix	trans	-65.1	-45.9	173.8	-73.6	-178	-167.4	-139.6	3.4	111.6	L550 E551 R556 K557 L558	L550-R554 WeakPolarHBondContact O-CG 3.36Å; L550-R554 PolarHBondContact O-N 3.46Å; E551-R554 PolarHBondContact O-N 2.73Å; E551-R554 VanDerWaalsContact O-N 3.12Å; R554-R556 VanDerWaalsContact C-N 3.34Å; R554-R556 PolarHBondContact O-N 2.77Å; R554-K557 PolarHBondContact O-N 2.85Å; R554-K557 VanDerWaalsContact O-N 3.16Å; R554-L558 PolarHBondContact O-N 3.39Å
555	K	88.4	Confident	86.1	Confident	120 Å²	120	105.7 Å²	105.7	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-44.1	176.7	-75	178.5	-178.2	164.4	0	111.7	E551 L552 K557 L558 A559	E551-K555 PolarHBondContact O-N 3.29Å; E551-K555 WeakPolarHBondContact OE1-CE 3.48Å; E551-K555 IonicContact OE1-NZ 3.91Å; E551-K555 PolarHBondContact OE1-NZ 3.27Å; L552-K555 PolarHBondContact O-N 3.36Å; K555-K557 PolarHBondContact O-N 3.42Å; K555-L558 PolarHBondContact O-N 3.08Å; K555-A559 WeakPolarHBondContact O-CB 3.22Å; K555-A559 PolarHBondContact O-N 3.18Å
556	R	86.8	Confident	85.8	Confident	160 Å²	160	108 Å²	108	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-40	175.5	-76.8	176.2	176.4	176.3	-0.2	112.6	L552 R554 K560	L552-R556 WeakPolarHBondContact O-CB 3.44Å; L552-R556 WeakPolarHBondContact O-CG 3.49Å; L552-R556 PolarHBondContact O-N 3.42Å; R554-R556 VanDerWaalsContact C-N 3.34Å; R554-R556 PolarHBondContact O-N 2.77Å; R556-K560 WeakPolarHBondContact O-CG 3.49Å; R556-K560 PolarHBondContact O-N 2.76Å
557	K	88.1	Confident	85.2	Confident	147 Å²	147	111.5 Å²	111.5	64%	0.639	53%	0.528	S	S	*	.	H	α-helix	trans	-65.6	-44.8	175.5	-75.9	-177.7	179.3	-176.5	0	111.7	S553 R554 K555 A559 K560 L561	S553-K557 WeakPolarHBondContact O-CG 3.43Å; S553-K557 PolarHBondContact O-N 3.19Å; S553-K557 VanDerWaalsContact O-N 3.11Å; R554-K557 PolarHBondContact O-N 2.85Å; R554-K557 VanDerWaalsContact O-N 3.16Å; K555-K557 PolarHBondContact O-N 3.42Å; K557-A559 PolarHBondContact O-N 2.81Å; K557-K560 PolarHBondContact O-N 3.13Å; K557-L561 PolarHBondContact O-N 2.74Å; K557-L561 VanDerWaalsContact O-N 3.11Å
558	L	87.8	Confident	84.2	Confident	108 Å²	108	115 Å²	115	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-41.8	177	-72.2	169.9	0	0	0	112.3	R554 K555 K560 L561 Q562	R554-L558 PolarHBondContact O-N 3.39Å; K555-L558 PolarHBondContact O-N 3.08Å; L558-K560 VanDerWaalsContact C-N 3.3Å; L558-K560 PolarHBondContact O-N 3.25Å; L558-L561 PolarHBondContact O-N 2.8Å; L558-Q562 PolarHBondContact O-N 2.81Å
559	A	88	Confident	83.2	Confident	47 Å²	47	112.3 Å²	112.3	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-35.7	176.8	0	0	0	0	0	112.6	K555 K557 K563	K555-A559 WeakPolarHBondContact O-CB 3.22Å; K555-A559 PolarHBondContact O-N 3.18Å; K557-A559 PolarHBondContact O-N 2.81Å; A559-K563 WeakPolarHBondContact O-CG 3.49Å; A559-K563 PolarHBondContact O-N 3.33Å; A559-K563 VanDerWaalsContact O-N 3.1Å
560	K	88.3	Confident	82.1	Confident	149 Å²	149	113.9 Å²	113.9	65%	0.648	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-43.6	174.2	-74.3	179.7	-180	-175.3	0	111.9	R556 K557 L558 K563 Q564	R556-K560 WeakPolarHBondContact O-CG 3.49Å; R556-K560 PolarHBondContact O-N 2.76Å; K557-K560 PolarHBondContact O-N 3.13Å; L558-K560 VanDerWaalsContact C-N 3.3Å; L558-K560 PolarHBondContact O-N 3.25Å; K560-K563 PolarHBondContact O-N 3.26Å; K560-Q564 WeakPolarHBondContact O-CG 3.17Å; K560-Q564 PolarHBondContact O-N 3.32Å; K560-Q564 VanDerWaalsContact O-N 3.08Å
561	L	85.5	Confident	80.6	Confident	90 Å²	90	117.7 Å²	117.7	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-42.4	176	-101.1	132	0	0	0	112	K557 L558 K563 Q564 Q565	K557-L561 PolarHBondContact O-N 2.74Å; K557-L561 VanDerWaalsContact O-N 3.11Å; L558-L561 PolarHBondContact O-N 2.8Å; L561-K563 PolarHBondContact O-N 2.96Å; L561-Q564 PolarHBondContact O-N 3.39Å; L561-Q565 WeakPolarHBondContact O-CG 3.45Å; L561-Q565 PolarHBondContact O-N 3.23Å
562	Q	84.6	Confident	79.1	Confident	121 Å²	121	118.1 Å²	118.1	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-63	-41.3	176.4	-77.5	-178.7	-14.4	0	0	112.5	L558 Q565 Q566	L558-Q562 PolarHBondContact O-N 2.81Å; Q562-Q565 PolarHBondContact O-N 3.45Å; Q562-Q566 WeakPolarHBondContact O-CG 3.48Å; Q562-Q566 PolarHBondContact O-N 3.01Å
563	K	83.5	Confident	77.4	Confident	138 Å²	138	122.1 Å²	122.1	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-61.2	-43.9	174.4	-78.8	-174.3	175.9	-170.4	0	112	A559 K560 L561 Q565 Q566 E567	A559-K563 WeakPolarHBondContact O-CG 3.49Å; A559-K563 PolarHBondContact O-N 3.33Å; A559-K563 VanDerWaalsContact O-N 3.1Å; K560-K563 PolarHBondContact O-N 3.26Å; L561-K563 PolarHBondContact O-N 2.96Å; K563-Q565 VanDerWaalsContact C-N 3.34Å; K563-Q565 PolarHBondContact O-N 3.42Å; K563-Q566 PolarHBondContact O-N 2.88Å; K563-E567 WeakPolarHBondContact O-CG 3.44Å; K563-E567 PolarHBondContact O-N 3.19Å
564	Q	82.5	Confident	74.9	Confident	87 Å²	87	122.6 Å²	122.6	41%	0.407	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-39.1	177.3	-73.3	174.8	-4.2	0	0	112.4	K560 L561 Q568	K560-Q564 WeakPolarHBondContact O-CG 3.17Å; K560-Q564 PolarHBondContact O-N 3.32Å; K560-Q564 VanDerWaalsContact O-N 3.08Å; L561-Q564 PolarHBondContact O-N 3.39Å; Q564-Q568 WeakPolarHBondContact O-CG 3.35Å; Q564-Q568 PolarHBondContact O-N 3.38Å; Q564-Q568 VanDerWaalsContact O-N 3.1Å
565	Q	80.1	Confident	72.5	Confident	120 Å²	120	116.4 Å²	116.4	56%	0.561	58%	0.58	S	S	*	*	H	α-helix	trans	-67.6	-36.5	175.6	-71.2	176.7	13.3	0	0	112.5	L561 Q562 K563 H569	L561-Q565 WeakPolarHBondContact O-CG 3.45Å; L561-Q565 PolarHBondContact O-N 3.23Å; Q562-Q565 PolarHBondContact O-N 3.45Å; K563-Q565 VanDerWaalsContact C-N 3.34Å; K563-Q565 PolarHBondContact O-N 3.42Å; Q565-H569 PolarHBondContact O-N 3.21Å; Q565-H569 VanDerWaalsContact O-N 3.14Å
566	Q	77.2	Confident	70.3	Confident	130 Å²	130	117.2 Å²	117.2	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-66.9	-44.3	175.4	-76.3	176.5	-4.4	0	0	111.8	Q562 K563 Q568 H569 E570	Q562-Q566 WeakPolarHBondContact O-CG 3.48Å; Q562-Q566 PolarHBondContact O-N 3.01Å; K563-Q566 PolarHBondContact O-N 2.88Å; Q566-Q568 VanDerWaalsContact C-N 3.35Å; Q566-Q568 PolarHBondContact O-N 3.06Å; Q566-H569 PolarHBondContact O-N 3.25Å; Q566-H569 VanDerWaalsContact O-N 3.15Å; Q566-E570 PolarHBondContact O-N 3.21Å
567	E	76.9	Confident	68	Low	120 Å²	120	118.9 Å²	118.9	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-59.6	-44.1	176.6	-72.7	169.7	-174	0	0	111.3	K563 H569 E570 D571	K563-E567 WeakPolarHBondContact O-CG 3.44Å; K563-E567 PolarHBondContact O-N 3.19Å; E567-H569 VanDerWaalsContact C-N 3.31Å; E567-H569 PolarHBondContact O-N 3.38Å; E567-E570 PolarHBondContact O-N 3.11Å; E567-D571 PolarHBondContact O-N 3.23Å; E567-D571 VanDerWaalsContact O-N 3.07Å
568	Q	66.5	Low	65.6	Low	125 Å²	125	121.8 Å²	121.8	58%	0.584	62%	0.622	S	S	*	*	H	α-helix	trans	-63.5	-33.5	175.7	-71.3	179	12.9	0	0	113.3	Q564 Q566 T572	Q564-Q568 WeakPolarHBondContact O-CG 3.35Å; Q564-Q568 PolarHBondContact O-N 3.38Å; Q564-Q568 VanDerWaalsContact O-N 3.1Å; Q566-Q568 VanDerWaalsContact C-N 3.35Å; Q566-Q568 PolarHBondContact O-N 3.06Å; Q568-T572 PolarHBondContact O-OG1 3.1Å
569	H	66	Low	63.3	Low	112 Å²	112	128 Å²	128	52%	0.519	64%	0.638	S	S	.	*	H	α-helix	trans	-79.2	-26.5	177.9	-172.4	-89.8	0	0	0	112.9	Q565 Q566 E567 T572	Q565-H569 PolarHBondContact O-N 3.21Å; Q565-H569 VanDerWaalsContact O-N 3.14Å; Q566-H569 PolarHBondContact O-N 3.25Å; Q566-H569 VanDerWaalsContact O-N 3.15Å; E567-H569 VanDerWaalsContact C-N 3.31Å; E567-H569 PolarHBondContact O-N 3.38Å; H569-T572 PolarHBondContact O-OG1 3.49Å; H569-T572 VanDerWaalsContact O-OG1 3.06Å
570	E	60.6	Low	60.6	Low	146 Å²	146	137 Å²	137	68%	0.682	66%	0.661	S	S	*	*	H	α-helix	trans	-75.5	-37.9	172.8	-74.9	-162.8	156.3	0	0	112.4	Q566 E567 T572 K573 G574	Q566-E570 PolarHBondContact O-N 3.21Å; E567-E570 PolarHBondContact O-N 3.11Å; E570-T572 PolarHBondContact O-N 2.91Å; E570-K573 PolarHBondContact O-N 3.2Å; E570-G574 PolarHBondContact O-N 3.22Å; E570-G574 VanDerWaalsContact O-N 3.13Å
571	D	57.4	Low	58.1	Low	137 Å²	137	136.7 Å²	136.7	73%	0.733	67%	0.673	S	S	*	*	H	α-helix	trans	-64.4	-24.9	177.5	-79	-22.3	0	0	0	112.9	E567 K573	E567-D571 PolarHBondContact O-N 3.23Å; E567-D571 VanDerWaalsContact O-N 3.07Å; D571-K573 VanDerWaalsContact C-N 3.34Å
572	T	54.9	Low	55.7	Low	114 Å²	114	138.9 Å²	138.9	70%	0.699	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-12.1	173.7	35.8	0	0	0	0	114	Q568 H569 E570	Q568-T572 PolarHBondContact O-OG1 3.1Å; H569-T572 PolarHBondContact O-OG1 3.49Å; H569-T572 VanDerWaalsContact O-OG1 3.06Å; E570-T572 PolarHBondContact O-N 2.91Å
573	K	47.8	Very low	53.1	Low	167 Å²	167	140 Å²	140	73%	0.726	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-11.9	177.6	-71.9	-172	-179.7	-177.5	0	114.6	E570 D571	E570-K573 PolarHBondContact O-N 3.2Å; D571-K573 VanDerWaalsContact C-N 3.34Å
574	G	33.9	Very low	50.6	Low	50 Å²	50	143.5 Å²	143.5	52%	0.515	71%	0.709	S	S	.	*	S	Bend	trans	-98.4	102.4	-178.6	0	0	0	0	0	113.6	E570	E570-G574 PolarHBondContact O-N 3.22Å; E570-G574 VanDerWaalsContact O-N 3.13Å
575	G	37	Very low	48.1	Very low	57 Å²	57	144.9 Å²	144.9	59%	0.588	72%	0.719	S	S	*	*			trans	-52.3	161	168.8	0	0	0	0	0	113.9	K577	G575-K577 PolarHBondContact O-N 3.29Å
576	P	44.1	Very low	45.6	Very low	136 Å²	136	145 Å²	145	88%	0.883	72%	0.723	S	S	*	*			trans	-65.6	106.6	-154.1	25.2	-33.8	0	0	0	112.7
577	K	38.6	Very low	43.4	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	73%	0.732	S	S	*	*			trans	-76.4	126.3	172.7	-72.3	-179.4	-179.3	170.7	0	110.1	G575 R579	G575-K577 PolarHBondContact O-N 3.29Å; K577-R579 PolarHBondContact O-N 2.98Å
578	K	36	Very low	41	Very low	207 Å²	207	149 Å²	149	90%	0.9	74%	0.743	S	S	*	*			trans	-55.1	112.4	-178.8	-71.4	176.4	175.8	177.3	0	111.3	R580	K578-R580 PolarHBondContact O-N 2.98Å
579	R	39.9	Very low	39.3	Very low	238 Å²	238	149.9 Å²	149.9	90%	0.898	76%	0.758	S	S	*	*			trans	-63.3	121.6	169.4	-76.3	174.3	73.9	158.4	1.6	109.2	K577 T581	K577-R579 PolarHBondContact O-N 2.98Å; R579-T581 PolarHBondContact O-N 3.37Å
580	R	32.1	Very low	37.4	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	77%	0.768	S	S	*	*			trans	-63.4	119.6	167.5	-80.4	173.3	75.3	146.8	-2	108.4	K578 V582	K578-R580 PolarHBondContact O-N 2.98Å; R580-V582 PolarHBondContact O-N 3.17Å
581	T	34.3	Very low	35.8	Very low	144 Å²	144	151.1 Å²	151.1	88%	0.883	78%	0.778	S	S	*	*			trans	-63.2	106.5	173.1	16.3	0	0	0	0	109.5	R579	R579-T581 PolarHBondContact O-N 3.37Å
582	V	35.7	Very low	34.4	Very low	136 Å²	136	154 Å²	154	82%	0.824	78%	0.784	S	S	*	*			trans	-90.5	129.8	159.4	177.1	0	0	0	0	107.1	R580 R584	R580-V582 PolarHBondContact O-N 3.17Å; V582-R584 PolarHBondContact O-N 3.31Å
583	N	31	Very low	33.2	Very low	144 Å²	144	156.6 Å²	156.6	77%	0.77	79%	0.791	S	S	*	*			trans	-53.8	116.2	-169	-164.5	15.2	0	0	0	111.8	N585	N583-N585 PolarHBondContact O-N 3.18Å
584	R	31.1	Very low	32.3	Very low	211 Å²	211	155.7 Å²	155.7	80%	0.796	79%	0.794	S	S	*	*			trans	-90.8	93.2	-177	-163.7	176.8	85.7	175.2	7.1	108.6	V582 N586	V582-R584 PolarHBondContact O-N 3.31Å; R584-N586 PolarHBondContact O-N 3.35Å
585	N	29.7	Very low	31.9	Very low	116 Å²	116	164 Å²	164	62%	0.62	81%	0.81	S	S	*	*			trans	-67.1	130.1	165.7	-86.3	4.2	0	0	0	109.4	N583	N583-N585 PolarHBondContact O-N 3.18Å
586	N	27.6	Very low	31.6	Very low	122 Å²	122	168 Å²	168	65%	0.652	82%	0.818	S	S	*	*			trans	-75.4	119.2	-172.2	-72.5	-38.4	0	0	0	111.1	R584	R584-N586 PolarHBondContact O-N 3.35Å
587	Y	29.7	Very low	30.9	Very low	205 Å²	205	166.5 Å²	166.5	80%	0.804	82%	0.817	S	S	*	*			trans	-126.4	105.8	150.2	-47.6	-74.1	0	0	0	106.6
588	T	26.2	Very low	30.4	Very low	129 Å²	129	166.4 Å²	166.4	79%	0.791	82%	0.817	S	S	*	*			trans	-84.1	114.2	174.5	52.4	0	0	0	0	108.1
589	T	30.9	Very low	30.2	Very low	145 Å²	145	161.2 Å²	161.2	89%	0.89	81%	0.807	S	S	*	*			trans	-142.6	111.3	152.4	-19.1	0	0	0	0	108.3
590	S	26	Very low	29.9	Very low	103 Å²	103	161.5 Å²	161.5	72%	0.72	81%	0.808	S	S	*	*			trans	-91	115.5	-171.5	165.3	0	0	0	0	109.2
591	M	28.6	Very low	29.9	Very low	181 Å²	181	155.5 Å²	155.5	89%	0.892	80%	0.798	S	S	*	*			trans	-144.5	90.8	150	-84.4	-63.6	166.5	0	0	107.9
592	K	26.7	Very low	30.4	Very low	198 Å²	198	156.7 Å²	156.7	86%	0.861	79%	0.793	S	S	*	*			trans	-85.7	111.7	165.6	-78	178.6	177.7	175.8	0	108
593	I	30.9	Very low	30.6	Very low	168 Å²	168	156.9 Å²	156.9	86%	0.862	79%	0.79	S	S	*	*			trans	-115.4	105.4	150.7	-64.1	177.8	0	0	0	106.5
594	N	27.3	Very low	31.6	Very low	147 Å²	147	155.8 Å²	155.8	79%	0.786	79%	0.79	S	S	*	*			trans	-92.9	121.4	178.1	-178.9	16.5	0	0	0	107.3
595	R	26.5	Very low	32.6	Very low	224 Å²	224	154.1 Å²	154.1	85%	0.845	79%	0.789	S	S	*	*			trans	-166.2	119.4	150.5	-110.8	163.1	173.8	151.6	-0.3	113.5
596	N	30.2	Very low	33.8	Very low	141 Å²	141	152.8 Å²	152.8	75%	0.754	79%	0.786	S	S	*	*			trans	81.3	94.8	149.9	-58.5	-4.1	0	0	0	118.5	F598	N596-F598 PolarHBondContact O-N 2.82Å
597	A	29.7	Very low	35.8	Very low	105 Å²	105	154.5 Å²	154.5	87%	0.868	79%	0.794	S	S	*	*			trans	-54.5	116.1	156.3	0	0	0	0	0	111.2
598	F	28	Very low	37.4	Very low	195 Å²	195	146.6 Å²	146.6	86%	0.855	77%	0.768	S	S	*	*			trans	-130.1	141.9	155.8	-122.3	-95.9	0	0	0	107.9	N596 R600	N596-F598 PolarHBondContact O-N 2.82Å; F598-R600 PolarHBondContact O-N 3.33Å
599	S	32	Very low	39.7	Very low	97 Å²	97	152.5 Å²	152.5	68%	0.678	78%	0.776	S	S	*	*			trans	-41.9	116	-167.7	51.3	0	0	0	0	114.4	T601	S599-T601 PolarHBondContact O-N 3.18Å
600	R	33.8	Very low	41.7	Very low	245 Å²	245	155.1 Å²	155.1	93%	0.925	78%	0.775	S	S	*	*			trans	-62.1	99.7	163.9	-84.8	177.8	164.8	169.1	-5.4	108.7	F598	F598-R600 PolarHBondContact O-N 3.33Å
601	T	32.9	Very low	43.8	Very low	110 Å²	110	153.5 Å²	153.5	68%	0.675	76%	0.758	S	S	*	*			trans	-58.7	130.8	150.8	41.7	0	0	0	0	107.3	S599 D603	S599-T601 PolarHBondContact O-N 3.18Å; T601-D603 PolarHBondContact O-N 3.02Å
602	E	44.8	Very low	46.2	Very low	169 Å²	169	149.9 Å²	149.9	79%	0.79	74%	0.742	S	S	*	*			trans	-69.2	102.8	-176.4	-63.2	-156.8	167.6	0	0	110.2
603	D	39.4	Very low	48.8	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-64.3	123.6	173	-61	-40.9	0	0	0	109.1	T601 K605	T601-D603 PolarHBondContact O-N 3.02Å; D603-K605 PolarHBondContact O-N 3.38Å
604	P	50.5	Low	51	Low	120 Å²	120	144 Å²	144	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-63.6	127.5	-177.2	24.6	-32.4	0	0	0	110.1
605	K	52.9	Low	53.2	Low	177 Å²	177	139.3 Å²	139.3	77%	0.77	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-58.8	131.3	-179.4	-66.3	171.3	-175.4	177.1	0	110.2	D603 I607	D603-K605 PolarHBondContact O-N 3.38Å; K605-I607 PolarHBondContact O-N 2.94Å
606	P	55.8	Low	54.8	Low	87 Å²	87	132.9 Å²	132.9	57%	0.565	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-61.2	131	-179.1	21.9	-31.4	0	0	0	110.9	S608 Y613	P606-S608 PolarHBondContact O-N 3.44Å; P606-Y613 HydrophobicContact CB-CD2 3.99Å; P606-Y613 HydrophobicContact CB-CE2 3.33Å
607	I	68.1	Low	56.9	Low	158 Å²	158	132.2 Å²	132.2	81%	0.81	67%	0.667	S	S	*	*	S	Bend	trans	-63.1	-26	-178	-100.1	155.7	0	0	0	112.6	K605 Y613	K605-I607 PolarHBondContact O-N 2.94Å; I607-Y613 PolarHBondContact N-OH 3.21Å
608	S	64.8	Low	59	Low	39 Å²	39	131.3 Å²	131.3	27%	0.273	66%	0.66	S	S	.	*			trans	-152.6	133.2	179.5	178.3	0	0	0	0	110.6	P606 K610 Y613	P606-S608 PolarHBondContact O-N 3.44Å; S608-K610 PolarHBondContact O-N 3.42Å; S608-K610 PolarHBondContact OG-N 3.39Å; S608-Y613 PolarHBondContact N-OH 3.43Å; S608-Y613 WeakPolarHBondContact O-CE2 3.41Å
609	R	73.1	Confident	60.8	Low	254 Å²	254	128 Å²	128	96%	0.958	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-7.8	174.4	-64.7	-175.9	-179	-175.8	-0.8	113.7
610	K	73.3	Confident	62.2	Low	200 Å²	200	127.7 Å²	127.7	87%	0.87	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-0.2	-177.2	-70.2	-179.8	174.3	178.5	0	113.8	S608	S608-K610 PolarHBondContact O-N 3.42Å; S608-K610 PolarHBondContact OG-N 3.39Å
611	I	70.8	Confident	62.5	Low	69 Å²	69	118.9 Å²	118.9	35%	0.354	63%	0.634	S	S	.	*			trans	-108.4	123.1	-176.1	-58.6	177.4	0	0	0	107.6	Y613 L616	I611-Y613 HydrophobicContact CB-CD2 4.4Å; I611-Y613 HydrophobicContact CB-CE1 4.46Å; I611-Y613 HydrophobicContact CB-CE2 3.95Å; I611-Y613 HydrophobicContact CG2-CD1 4.26Å; I611-Y613 HydrophobicContact CG2-CD2 4.44Å; I611-Y613 HydrophobicContact CG2-CE1 4.15Å; I611-Y613 HydrophobicContact CG2-CE2 4.33Å; I611-Y613 HydrophobicContact CG2-CG 4.4Å; I611-Y613 WeakPolarHBondContact O-CD2 3.27Å; I611-Y613 WeakPolarHBondContact O-CE2 3.18Å; I611-Y613 PolarHBondContact O-N 3.42Å; I611-Y613 VanDerWaalsContact O-N 3.17Å; I611-L616 HydrophobicContact CG2-CD1 3.47Å; I611-L616 VanDerWaalsContact CG2-CD1 3.47Å
612	N	78.1	Confident	62.7	Low	105 Å²	105	119.8 Å²	119.8	56%	0.561	63%	0.634	S	S	*	*			trans	-77.3	95	167.6	-174.5	-4.7	0	0	0	107.8	E614 A615 L616	N612-E614 PolarHBondContact O-N 2.99Å; N612-E614 WeakPolarHBondContact OD1-CB 3.23Å; N612-E614 PolarHBondContact OD1-N 2.85Å; N612-A615 HydrophobicContact CB-CB 4.13Å; N612-A615 PolarHBondContact O-N 2.96Å; N612-L616 PolarHBondContact O-N 2.83Å
613	Y	81.5	Confident	62.1	Low	86 Å²	86	117.3 Å²	117.3	34%	0.337	64%	0.636	S	S	.	*	H	α-helix	trans	-65.1	-27.5	-176.2	-72.1	-83.3	0	0	0	112.7	P606 I607 S608 I611 L616 E617	P606-Y613 HydrophobicContact CB-CD2 3.99Å; P606-Y613 HydrophobicContact CB-CE2 3.33Å; I607-Y613 PolarHBondContact N-OH 3.21Å; S608-Y613 PolarHBondContact N-OH 3.43Å; S608-Y613 WeakPolarHBondContact O-CE2 3.41Å; I611-Y613 HydrophobicContact CB-CD2 4.4Å; I611-Y613 HydrophobicContact CB-CE1 4.46Å; I611-Y613 HydrophobicContact CB-CE2 3.95Å; I611-Y613 HydrophobicContact CG2-CD1 4.26Å; I611-Y613 HydrophobicContact CG2-CD2 4.44Å; I611-Y613 HydrophobicContact CG2-CE1 4.15Å; I611-Y613 HydrophobicContact CG2-CE2 4.33Å; I611-Y613 HydrophobicContact CG2-CG 4.4Å; I611-Y613 WeakPolarHBondContact O-CD2 3.27Å; I611-Y613 WeakPolarHBondContact O-CE2 3.18Å; I611-Y613 PolarHBondContact O-N 3.42Å; I611-Y613 VanDerWaalsContact O-N 3.17Å; Y613-L616 CarbonylContact O-C 3.52Å; Y613-L616 PolarHBondContact O-N 3.2Å; Y613-E617 PolarHBondContact O-N 3.39Å
614	E	77	Confident	61.6	Low	155 Å²	155	116.6 Å²	116.6	72%	0.724	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-43.3	177.2	-169.8	173.7	-167.1	0	0	111.1	N612 L616 E617 A618	N612-E614 PolarHBondContact O-N 2.99Å; N612-E614 WeakPolarHBondContact OD1-CB 3.23Å; N612-E614 PolarHBondContact OD1-N 2.85Å; E614-L616 PolarHBondContact O-N 3.29Å; E614-E617 PolarHBondContact O-N 3.08Å; E614-A618 PolarHBondContact O-N 3.39Å
615	A	73.6	Confident	60.6	Low	50 Å²	50	117 Å²	117	41%	0.413	64%	0.637	S	S	.	*	H	α-helix	trans	-63.6	-33.1	171.7	0	0	0	0	0	112	N612 V619	N612-A615 HydrophobicContact CB-CB 4.13Å; N612-A615 PolarHBondContact O-N 2.96Å; A615-V619 VanDerWaalsContact O-CG2 3.31Å; A615-V619 WeakPolarHBondContact O-CG2 3.18Å; A615-V619 PolarHBondContact O-N 3.49Å
616	L	60.2	Low	59.3	Low	88 Å²	88	114.6 Å²	114.6	46%	0.461	64%	0.641	S	S	.	*	H	α-helix	trans	-75.9	-35	-179.6	-141.5	142.6	0	0	0	111.9	I611 N612 Y613 E614 V619 V620	I611-L616 HydrophobicContact CG2-CD1 3.47Å; I611-L616 VanDerWaalsContact CG2-CD1 3.47Å; N612-L616 PolarHBondContact O-N 2.83Å; Y613-L616 CarbonylContact O-C 3.52Å; Y613-L616 PolarHBondContact O-N 3.2Å; E614-L616 PolarHBondContact O-N 3.29Å; L616-V619 PolarHBondContact O-N 2.99Å; L616-V620 HydrophobicContact CD2-CG2 4.05Å; L616-V620 WeakPolarHBondContact O-CB 3.28Å; L616-V620 VanDerWaalsContact O-CG2 3.32Å; L616-V620 WeakPolarHBondContact O-CG2 3.44Å; L616-V620 PolarHBondContact O-N 2.99Å
617	E	75.5	Confident	58	Low	127 Å²	127	115.9 Å²	115.9	59%	0.593	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-37.7	172	-86.4	-177.9	162.2	0	0	112.2	Y613 E614 V619 V620 G621	Y613-E617 PolarHBondContact O-N 3.39Å; E614-E617 PolarHBondContact O-N 3.08Å; E617-V619 PolarHBondContact O-N 3.33Å; E617-V620 PolarHBondContact O-N 3.4Å; E617-G621 PolarHBondContact O-N 2.92Å; E617-G621 VanDerWaalsContact O-N 3.08Å
618	A	71.9	Confident	56	Low	86 Å²	86	113.5 Å²	113.5	71%	0.711	65%	0.647	S	S	*	*	H	α-helix	trans	-61.4	-33.9	173.8	0	0	0	0	0	112.5	E614	E614-A618 PolarHBondContact O-N 3.39Å
619	V	67.3	Low	54.3	Low	125 Å²	125	118.1 Å²	118.1	76%	0.758	67%	0.673	S	S	*	*	H	α-helix	trans	-81.8	-37.3	178.4	173.6	0	0	0	0	112.4	A615 L616 E617	A615-V619 VanDerWaalsContact O-CG2 3.31Å; A615-V619 WeakPolarHBondContact O-CG2 3.18Å; A615-V619 PolarHBondContact O-N 3.49Å; L616-V619 PolarHBondContact O-N 2.99Å; E617-V619 PolarHBondContact O-N 3.33Å
620	V	60.1	Low	52.2	Low	92 Å²	92	112.5 Å²	112.5	56%	0.558	66%	0.662	S	S	*	*	H	α-helix	trans	-90.7	-5.9	-172.5	180	0	0	0	0	113.1	L616 E617 L622	L616-V620 HydrophobicContact CD2-CG2 4.05Å; L616-V620 WeakPolarHBondContact O-CB 3.28Å; L616-V620 VanDerWaalsContact O-CG2 3.32Å; L616-V620 WeakPolarHBondContact O-CG2 3.44Å; L616-V620 PolarHBondContact O-N 2.99Å; E617-V620 PolarHBondContact O-N 3.4Å; V620-L622 PolarHBondContact O-N 3.08Å
621	G	39.9	Very low	49.8	Very low	59 Å²	59	110 Å²	110	61%	0.608	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.2	50.1	162.5	0	0	0	0	0	113.5	E617 S623	E617-G621 PolarHBondContact O-N 2.92Å; E617-G621 VanDerWaalsContact O-N 3.08Å; G621-S623 PolarHBondContact O-N 2.89Å
622	L	38.3	Very low	47.8	Very low	130 Å²	130	113.7 Å²	113.7	68%	0.681	68%	0.676	S	S	*	*			trans	-80.3	96.7	167.3	-79.1	155.3	0	0	0	108.3	V620 T624	V620-L622 PolarHBondContact O-N 3.08Å; L622-T624 PolarHBondContact O-N 3.14Å
623	S	31.2	Very low	45.3	Very low	117 Å²	117	114.9 Å²	114.9	82%	0.818	68%	0.683	S	S	*	*			trans	-64.3	91.8	174.6	59.9	0	0	0	0	110.9	G621	G621-S623 PolarHBondContact O-N 2.89Å
624	T	29.3	Very low	42.9	Very low	125 Å²	125	118.1 Å²	118.1	77%	0.767	71%	0.706	S	S	*	*			trans	-111.6	93	158.5	44.7	0	0	0	0	109.1	L622	L622-T624 PolarHBondContact O-N 3.14Å
625	T	29.2	Very low	40.5	Very low	128 Å²	128	116.3 Å²	116.3	79%	0.785	71%	0.71	S	S	*	*			trans	21.8	100.4	152.8	57.7	0	0	0	0	115.8	P627	T625-P627 WeakPolarHBondContact O-CD 3.37Å
626	C	25.5	Very low	38.2	Very low	126 Å²	126	117.3 Å²	117.3	85%	0.851	73%	0.725	S	S	*	*			trans	-48.7	121.3	169.7	-57.8	0	0	0	0	111	S628	C626-S628 PolarHBondContact O-N 3.3Å
627	P	28.9	Very low	36.6	Very low	115 Å²	115	122.7 Å²	122.7	75%	0.747	75%	0.745	S	S	*	*			trans	-69.1	128.9	163.6	-2.5	18.5	0	0	0	107.8	T625 V629	T625-P627 WeakPolarHBondContact O-CD 3.37Å; P627-V629 PolarHBondContact O-N 3.28Å; P627-V629 VanDerWaalsContact O-N 3.12Å
628	S	27.2	Very low	34.2	Very low	107 Å²	107	123.2 Å²	123.2	75%	0.748	76%	0.757	S	S	*	*			trans	-40.7	111.9	172.1	45.3	0	0	0	0	112.2	C626 D630	C626-S628 PolarHBondContact O-N 3.3Å; S628-D630 PolarHBondContact O-N 3.38Å
629	V	29.3	Very low	32.1	Very low	136 Å²	136	125.6 Å²	125.6	82%	0.824	76%	0.762	S	S	*	*			trans	-70.1	109.4	169.5	175.2	0	0	0	0	107.6	P627 L631	P627-V629 PolarHBondContact O-N 3.28Å; P627-V629 VanDerWaalsContact O-N 3.12Å; V629-L631 PolarHBondContact O-N 3.17Å
630	D	27.4	Very low	30.2	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	76%	0.762	S	S	*	*			trans	-62.1	123.3	170.5	-80.6	-40.1	0	0	0	109.8	S628 I632	S628-D630 PolarHBondContact O-N 3.38Å; D630-I632 PolarHBondContact O-N 3.18Å
631	L	24.4	Very low	28.6	Very low	147 Å²	147	124.8 Å²	124.8	77%	0.77	77%	0.772	S	S	*	*			trans	-57.6	106.8	173.3	-77.2	92	0	0	0	110.2	V629	V629-L631 PolarHBondContact O-N 3.17Å
632	I	28.7	Very low	28.1	Very low	147 Å²	147	127.9 Å²	127.9	75%	0.754	78%	0.779	S	S	*	*			trans	-101.6	90.2	157.4	-58.4	-179.3	0	0	0	107.4	D630 N634	D630-I632 PolarHBondContact O-N 3.18Å; I632-N634 PolarHBondContact O-N 2.05Å; I632-N634 VanDerWaalsContact O-N 3.1Å
633	N	25.9	Very low	27.7	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	79%	0.789	S	S	*	*			trans	-57	105	163.4	-78.8	-24.8	0	0	0	109.4
634	N	29.5	Very low	27.7	Very low	154 Å²	154	130.4 Å²	130.4	82%	0.824	79%	0.789	S	S	*	*			trans	-116.7	89.2	155.3	-94.6	-15.9	0	0	0	108.3	I632	I632-N634 PolarHBondContact O-N 2.05Å; I632-N634 VanDerWaalsContact O-N 3.1Å
635	S	26.9	Very low	27.8	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	79%	0.793	S	S	*	*			trans	-67.5	134.6	169.7	44.6	0	0	0	0	111
636	G	25.5	Very low	27.9	Very low	71 Å²	71	133.3 Å²	133.3	73%	0.732	80%	0.795	S	S	*	*			trans	80.9	87.4	138.7	0	0	0	0	0	116.9
637	K	27.1	Very low	28.3	Very low	200 Å²	200	133.9 Å²	133.9	87%	0.87	79%	0.794	S	S	*	*			trans	-139.1	89	138.6	-145	162.5	-171.6	174.1	0	110.5	V639	K637-V639 PolarHBondContact O-N 3.19Å
638	T	24.1	Very low	28.4	Very low	139 Å²	139	134.2 Å²	134.2	85%	0.853	79%	0.794	S	S	*	*			trans	-62.8	116.5	168	49.3	0	0	0	0	109
639	V	28.6	Very low	28.7	Very low	135 Å²	135	137 Å²	137	82%	0.818	80%	0.796	S	S	*	*			trans	-108.9	119.2	162.3	-174.9	0	0	0	0	106.5	K637	K637-V639 PolarHBondContact O-N 3.19Å
640	S	28.3	Very low	28.9	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	79%	0.793	S	S	*	*			trans	-64.4	135.8	-172.3	47.3	0	0	0	0	112.8
641	A	26.6	Very low	29.2	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	80%	0.798	S	S	*	*			trans	-65.8	130.1	163.3	0	0	0	0	0	110.8
642	T	29.4	Very low	29.6	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	80%	0.799	S	S	*	*			trans	176.4	106.1	145.4	19.8	0	0	0	0	106.5
643	D	29.1	Very low	29.8	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	79%	0.793	S	S	*	*			trans	169.4	68.5	151.2	-83.1	-16.6	0	0	0	106.9
644	V	31	Very low	30.3	Very low	133 Å²	133	132 Å²	132	81%	0.806	80%	0.799	S	S	*	*			trans	-117.3	88.4	169.9	-172.7	0	0	0	0	105.4
645	D	31.4	Very low	30.5	Very low	161 Å²	161	133 Å²	133	86%	0.861	80%	0.803	S	S	*	*			trans	-167.7	81.7	165.3	-90.4	-29.4	0	0	0	109.4
646	N	31.4	Very low	30.8	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	81%	0.806	S	S	*	*			trans	-176.2	73.6	144.8	-109.9	-21.6	0	0	0	110.3	T648	N646-T648 PolarHBondContact O-N 3.18Å
647	V	33.4	Very low	31	Very low	137 Å²	137	136.4 Å²	136.4	83%	0.83	81%	0.808	S	S	*	*			trans	-86.1	93.2	159.9	179.2	0	0	0	0	106.3	E649	V647-E649 PolarHBondContact O-N 2.91Å
648	T	31.8	Very low	31.2	Very low	122 Å²	122	132 Å²	132	75%	0.748	80%	0.802	S	S	*	*			trans	-71.8	107.2	171.3	-54.3	0	0	0	0	108.3	N646	N646-T648 PolarHBondContact O-N 3.18Å
649	E	32.5	Very low	31.6	Very low	166 Å²	166	131.5 Å²	131.5	78%	0.776	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.4	142.8	175.3	-71.2	-177.8	158.1	0	0	112.1	V647 I651	V647-E649 PolarHBondContact O-N 2.91Å; E649-I651 PolarHBondContact O-N 3.43Å
650	P	33.2	Very low	31.6	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.9	123.4	-174.2	30.5	-32.3	0	0	0	111.5	P652	P650-P652 WeakPolarHBondContact O-CD 3.43Å
651	I	34.8	Very low	31.7	Very low	165 Å²	165	132.6 Å²	132.6	85%	0.846	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.2	120.5	176.1	-60.7	167.2	0	0	0	109.6	E649 G653	E649-I651 PolarHBondContact O-N 3.43Å; I651-G653 PolarHBondContact O-N 3.19Å
652	P	32.3	Very low	31.9	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.1	127.7	-179	-16.9	29.8	0	0	0	111.6	P650	P650-P652 WeakPolarHBondContact O-CD 3.43Å
653	G	32.3	Very low	31.9	Very low	60 Å²	60	136.1 Å²	136.1	62%	0.619	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-66.3	153.6	179.2	0	0	0	0	0	113.4	I651 L655	I651-G653 PolarHBondContact O-N 3.19Å; G653-L655 PolarHBondContact O-N 3.39Å
654	P	37.7	Very low	31.8	Very low	128 Å²	128	134.6 Å²	134.6	83%	0.831	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.3	125.9	-169.9	28.3	-33.1	0	0	0	112.1	L656	P654-L656 PolarHBondContact O-N 3.09Å
655	L	33.2	Very low	31.6	Very low	175 Å²	175	136.2 Å²	136.2	92%	0.916	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-60.2	119.5	173.4	-66.6	169.5	0	0	0	110.2	G653 A657	G653-L655 PolarHBondContact O-N 3.39Å; L655-A657 PolarHBondContact O-N 2.84Å
656	L	32.2	Very low	31.5	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	80%	0.796	S	S	*	*			trans	-67.6	109.5	176.7	-73.8	164.7	0	0	0	109.9	P654 S658	P654-L656 PolarHBondContact O-N 3.09Å; L656-S658 PolarHBondContact O-N 2.95Å
657	A	30.2	Very low	31.2	Very low	95 Å²	95	135.9 Å²	135.9	79%	0.785	80%	0.796	S	S	*	*			trans	-60.9	103.7	168.3	0	0	0	0	0	109.3	L655 T659	L655-A657 PolarHBondContact O-N 2.84Å; A657-T659 PolarHBondContact O-N 3Å
658	S	31.8	Very low	31	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	80%	0.795	S	S	*	*			trans	-72.5	103	171.5	-68.6	0	0	0	0	108.6	L656 L660	L656-S658 PolarHBondContact O-N 2.95Å; S658-L660 VanDerWaalsContact C-N 3.29Å; S658-L660 PolarHBondContact O-N 3.24Å
659	T	31.5	Very low	30.8	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	80%	0.802	S	S	*	*			trans	-71.9	88.4	165.9	39.8	0	0	0	0	108.9	A657 C661	A657-T659 PolarHBondContact O-N 3Å; T659-C661 PolarHBondContact O-N 3.44Å; T659-C661 VanDerWaalsContact O-N 3.12Å
660	L	29.4	Very low	30.6	Very low	144 Å²	144	139.7 Å²	139.7	75%	0.754	81%	0.81	S	S	*	*			trans	-58.9	106.3	161.5	-80.6	154.5	0	0	0	108.2	S658	S658-L660 VanDerWaalsContact C-N 3.29Å; S658-L660 PolarHBondContact O-N 3.24Å
661	C	31.2	Very low	30.3	Very low	120 Å²	120	143.9 Å²	143.9	81%	0.811	82%	0.816	S	S	*	*			trans	-95.2	99.7	159.6	-70.2	0	0	0	0	106.7	T659 N663	T659-C661 PolarHBondContact O-N 3.44Å; T659-C661 VanDerWaalsContact O-N 3.12Å; C661-N663 PolarHBondContact O-N 2.95Å
662	D	29.4	Very low	29.9	Very low	126 Å²	126	141.1 Å²	141.1	67%	0.674	81%	0.812	S	S	*	*			trans	-62	110.4	171.7	-63.4	-49.6	0	0	0	109.6
663	N	29.5	Very low	29.8	Very low	166 Å²	166	141.5 Å²	141.5	89%	0.888	81%	0.814	S	S	*	*			trans	-112.8	80.1	160.4	-99.1	-15.7	0	0	0	107.9	C661 N665	C661-N663 PolarHBondContact O-N 2.95Å; N663-N665 PolarHBondContact O-N 2.95Å
664	D	27.4	Very low	29.6	Very low	136 Å²	136	148 Å²	148	73%	0.727	83%	0.825	S	S	*	*			trans	-65.2	104.3	162.2	-88.8	-42.5	0	0	0	109.4
665	N	26.7	Very low	29.1	Very low	167 Å²	167	151 Å²	151	89%	0.893	83%	0.828	S	S	*	*			trans	-172.8	80.9	150.3	-101.4	-22.5	0	0	0	112.1	N663	N663-N665 PolarHBondContact O-N 2.95Å
666	S	29.2	Very low	28.9	Very low	122 Å²	122	149.7 Å²	149.7	85%	0.853	82%	0.82	S	S	*	*			trans	-167.7	71.2	149.4	59.4	0	0	0	0	109.5
667	K	25.6	Very low	28.6	Very low	186 Å²	186	151.8 Å²	151.8	81%	0.809	82%	0.817	S	S	*	*			trans	-88.1	148.5	158.6	-75.7	176.4	-179.9	163.5	0	107.8
668	D	28.7	Very low	28.6	Very low	154 Å²	154	153.6 Å²	153.6	82%	0.824	81%	0.813	S	S	*	*			trans	86.5	99.5	177.3	-54.3	-28.4	0	0	0	115.6
669	L	27.6	Very low	28.5	Very low	168 Å²	168	154.9 Å²	154.9	88%	0.88	81%	0.811	S	S	*	*				166.4	63.8	129.4	-83.9	172.7	0	0	0	110.5
670	L	28.6	Very low	28.4	Very low	183 Å²	183	155.2 Å²	155.2	96%	0.958	81%	0.808	S	S	*	*			trans	-141.6	84.9	157	-89.1	114.4	0	0	0	109.1	S672	L670-S672 PolarHBondContact O-N 3.15Å
671	K	27.3	Very low	28.4	Very low	205 Å²	205	157.8 Å²	157.8	89%	0.891	81%	0.814	S	S	*	*			trans	-83.5	107.1	170.4	-146.7	168.1	-169.6	169.9	0	106.8
672	S	27.2	Very low	28.3	Very low	107 Å²	107	160.6 Å²	160.6	75%	0.748	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.3	129	176.5	38.3	0	0	0	0	111	L670 K674	L670-S672 PolarHBondContact O-N 3.15Å; S672-K674 PolarHBondContact O-N 3.45Å
673	P	29.5	Very low	28.3	Very low	129 Å²	129	163.6 Å²	163.6	84%	0.838	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.8	131.9	177.2	-16.7	30.1	0	0	0	111	H675	P673-H675 PolarHBondContact O-N 3.34Å
674	K	28.5	Very low	28	Very low	197 Å²	197	161.3 Å²	161.3	86%	0.857	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.3	129.3	178.7	-67.6	176	176.8	178.8	0	110.6	S672 I676	S672-K674 PolarHBondContact O-N 3.45Å; K674-I676 PolarHBondContact O-N 2.89Å; K674-I676 VanDerWaalsContact O-N 3.12Å
675	H	26.3	Very low	28.2	Very low	192 Å²	192	162.1 Å²	162.1	89%	0.889	82%	0.821	S	S	*	*			trans	-41	108.3	167.7	-116.6	-90.6	0	0	0	111.7	P673	P673-H675 PolarHBondContact O-N 3.34Å
676	I	28.8	Very low	28.3	Very low	146 Å²	146	159.4 Å²	159.4	75%	0.749	81%	0.811	S	S	*	*			trans	-86.6	118.6	162.2	-67.8	173	0	0	0	106	K674 D678	K674-I676 PolarHBondContact O-N 2.89Å; K674-I676 VanDerWaalsContact O-N 3.12Å; I676-D678 PolarHBondContact O-N 3.41Å
677	R	26.3	Very low	28.2	Very low	210 Å²	210	159.4 Å²	159.4	79%	0.792	81%	0.811	S	S	*	*			trans	-81.8	101.1	-175.6	178.2	174.7	166.4	172.6	-1.6	108.5	N679	R677-N679 PolarHBondContact O-N 3.14Å
678	D	29.8	Very low	28.4	Very low	132 Å²	132	159 Å²	159	71%	0.706	81%	0.814	S	S	*	*			trans	-69.2	105.5	175.8	-72.1	-35.9	0	0	0	110.7	I676 N680	I676-D678 PolarHBondContact O-N 3.41Å; D678-N680 PolarHBondContact O-N 3.1Å
679	N	30.4	Very low	28.5	Very low	134 Å²	134	159.3 Å²	159.3	72%	0.717	82%	0.815	S	S	*	*			trans	-83.2	84.8	170	-79	-29.2	0	0	0	109.2	R677 K681	R677-N679 PolarHBondContact O-N 3.14Å; N679-K681 PolarHBondContact O-N 3.13Å
680	N	30	Very low	28.5	Very low	135 Å²	135	159.4 Å²	159.4	72%	0.722	82%	0.816	S	S	*	*			trans	-69.9	92.2	171.2	-82.9	-19.3	0	0	0	110.9	D678 H682	D678-N680 PolarHBondContact O-N 3.1Å; N680-H682 PolarHBondContact O-N 3.27Å
681	K	28.8	Very low	28.4	Very low	198 Å²	198	160 Å²	160	86%	0.861	81%	0.811	S	S	*	*			trans	-82.6	97.4	162	-93.8	-179.6	176	175.2	0	108.9	N679 K683	N679-K681 PolarHBondContact O-N 3.13Å; K681-K683 PolarHBondContact O-N 2.83Å; K681-K683 VanDerWaalsContact O-N 3.12Å
682	H	28.9	Very low	28.4	Very low	180 Å²	180	154.7 Å²	154.7	83%	0.833	81%	0.805	S	S	*	*			trans	-56.5	108.9	167	-72	-94.1	0	0	0	110.3	N680	N680-H682 PolarHBondContact O-N 3.27Å
683	K	30	Very low	28.5	Very low	189 Å²	189	158.4 Å²	158.4	82%	0.822	82%	0.816	S	S	*	*			trans	-99.8	106.6	161.2	-81.6	-173.8	176.3	-179.2	0	108	K681 I685	K681-K683 PolarHBondContact O-N 2.83Å; K681-K683 VanDerWaalsContact O-N 3.12Å; K683-I685 PolarHBondContact O-N 3.42Å
684	S	23	Very low	28.4	Very low	117 Å²	117	157.2 Å²	157.2	82%	0.818	81%	0.811	S	S	*	*			trans	-55.3	115.5	166.2	178.4	0	0	0	0	109.2
685	I	31.6	Very low	28.3	Very low	154 Å²	154	155.2 Å²	155.2	79%	0.79	81%	0.809	S	S	*	*			trans	-114.3	113.3	168	-63.8	177.2	0	0	0	106.6	K683	K683-I685 PolarHBondContact O-N 3.42Å
686	T	28.3	Very low	28.5	Very low	110 Å²	110	152.7 Å²	152.7	68%	0.675	81%	0.807	S	S	*	*			trans	-55.5	136.3	177.5	29.7	0	0	0	0	113	M688	T686-M688 PolarHBondContact O-N 3.04Å
687	S	27.8	Very low	28.6	Very low	122 Å²	122	152.7 Å²	152.7	85%	0.853	81%	0.808	S	S	*	*			trans	-48.6	112.6	172	45	0	0	0	0	112.8
688	M	30	Very low	28.7	Very low	178 Å²	178	149.8 Å²	149.8	88%	0.877	81%	0.809	S	S	*	*			trans	-93.7	135.5	164.2	-74.9	-169.1	176.2	0	0	110.3	T686	T686-M688 PolarHBondContact O-N 3.04Å
689	N	29.9	Very low	28.5	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	81%	0.811	S	S	*	*			trans	-64.5	122.8	-168.3	-141.5	-17.4	0	0	0	112	K691	N689-K691 PolarHBondContact O-N 2.7Å; N689-K691 VanDerWaalsContact O-N 3.08Å
690	L	27.2	Very low	28.5	Very low	170 Å²	170	151.7 Å²	151.7	89%	0.89	82%	0.819	S	S	*	*			trans	-72.1	92.2	170.7	-95	92.7	0	0	0	110.3
691	K	27.3	Very low	28.4	Very low	196 Å²	196	155.4 Å²	155.4	85%	0.852	83%	0.829	S	S	*	*			trans	-150.9	98.9	156.2	-80.9	-170.7	179.7	174.2	0	108.9	N689	N689-K691 PolarHBondContact O-N 2.7Å; N689-K691 VanDerWaalsContact O-N 3.08Å
692	A	27.5	Very low	28.2	Very low	93 Å²	93	156 Å²	156	77%	0.769	83%	0.831	S	S	*	*			trans	162.4	70.4	148.6	0	0	0	0	0	111.8
693	L	27.6	Very low	28.1	Very low	185 Å²	185	152 Å²	152	97%	0.969	83%	0.829	S	S	*	*			trans	-144.3	66.6	158.1	-78.3	176.9	0	0	0	108.9
694	S	27.9	Very low	28.2	Very low	105 Å²	105	150.4 Å²	150.4	73%	0.734	84%	0.835	S	S	*	*			trans	-143.1	88.3	165.5	61.9	0	0	0	0	107.6
695	N	27	Very low	28.5	Very low	155 Å²	155	153 Å²	153	83%	0.829	83%	0.832	S	S	*	*			trans	-174.1	77	159.6	-99.1	-4.1	0	0	0	108
696	V	31	Very low	28.3	Very low	139 Å²	139	152 Å²	152	84%	0.842	83%	0.828	S	S	*	*			trans	-111.6	98.3	155.7	179.4	0	0	0	0	104.5	D698	V696-D698 PolarHBondContact O-N 3.1Å
697	N	29.9	Very low	28.5	Very low	145 Å²	145	156 Å²	156	78%	0.775	84%	0.839	S	S	*	*			trans	-65.9	113	175.9	-107.7	-0.9	0	0	0	108.4	N699	N697-N699 PolarHBondContact O-N 3.22Å
698	D	28.9	Very low	28.4	Very low	149 Å²	149	157.4 Å²	157.4	80%	0.797	84%	0.837	S	S	*	*			trans	-65.1	100.7	156.3	-76.2	-53.4	0	0	0	108.5	V696	V696-D698 PolarHBondContact O-N 3.1Å
699	N	25.9	Very low	28.4	Very low	141 Å²	141	156.9 Å²	156.9	75%	0.754	84%	0.837	S	S	*	*			trans	-174.3	105.5	153.8	-90.3	-33.5	0	0	0	107.3	N697	N697-N699 PolarHBondContact O-N 3.22Å
700	D	29.7	Very low	28.5	Very low	165 Å²	165	156.4 Å²	156.4	88%	0.882	83%	0.834	S	S	*	*			trans	166.6	67.9	144.9	-80.2	-21.3	0	0	0	109.2
701	K	27.4	Very low	28.4	Very low	214 Å²	214	152.3 Å²	152.3	93%	0.93	83%	0.825	S	S	*	*			trans	-126.2	69.1	163.6	-77.7	-173.6	-179.9	173.7	0	109.5
702	K	25.7	Very low	28.6	Very low	210 Å²	210	150.5 Å²	150.5	91%	0.913	83%	0.825	S	S	*	*			trans	-157.6	137.8	159.2	-115	172.2	-176.3	174.8	0	109.3
703	A	27.4	Very low	28.7	Very low	96 Å²	96	152.6 Å²	152.6	79%	0.793	82%	0.823	S	S	*	*			trans	87.5	75.5	174.3	0	0	0	0	0	117.1
704	V	32.2	Very low	28.9	Very low	156 Å²	156	151.8 Å²	151.8	95%	0.945	82%	0.82	S	S	*	*			trans	-127.4	109.3	133.2	-178.6	0	0	0	0	106.7
705	K	27.4	Very low	28.8	Very low	171 Å²	171	154 Å²	154	74%	0.743	82%	0.816	S	S	*	*			trans	-103.7	133.9	-174.7	-178.5	175.6	-177.5	-176.9	0	107.7
706	D	28.3	Very low	29	Very low	134 Å²	134	154.7 Å²	154.7	72%	0.717	82%	0.819	S	S	*	*			trans	47.1	96.4	154.6	-51.9	-23.7	0	0	0	117.9
707	Q	31.7	Very low	29	Very low	192 Å²	192	155 Å²	155	90%	0.897	81%	0.811	S	S	*	*			trans	-129.6	104.8	146.2	-71.6	-169.8	-0.4	0	0	109.7	L709	Q707-L709 PolarHBondContact O-N 3.44Å
708	N	25.4	Very low	28.9	Very low	153 Å²	153	154 Å²	154	82%	0.818	81%	0.81	S	S	*	*			trans	-42.1	124.3	160.9	-91.3	-30	0	0	0	110.6
709	L	31.6	Very low	28.8	Very low	167 Å²	167	156.2 Å²	156.2	87%	0.874	82%	0.816	S	S	*	*			trans	-129.3	129.7	150.9	-79.8	171	0	0	0	108.5	Q707	Q707-L709 PolarHBondContact O-N 3.44Å
710	D	30.8	Very low	28.9	Very low	148 Å²	148	156.6 Å²	156.6	79%	0.791	81%	0.813	S	S	*	*			trans	-67.2	145	-157.9	-66.2	-65.1	0	0	0	113.7
711	A	26.6	Very low	28.8	Very low	85 Å²	85	158.3 Å²	158.3	70%	0.702	82%	0.816	S	S	*	*			trans	-55.6	135.4	164.1	0	0	0	0	0	110.9
712	N	31.1	Very low	28.8	Very low	158 Å²	158	155.6 Å²	155.6	85%	0.845	80%	0.804	S	S	*	*			trans	-138.3	101	140.9	-145.9	3.9	0	0	0	109.9
713	N	28.5	Very low	29	Very low	136 Å²	136	152 Å²	152	73%	0.727	80%	0.795	S	S	*	*			trans	-63.2	131.2	169.5	-74.3	-39.1	0	0	0	109.4
714	N	31.8	Very low	29	Very low	169 Å²	169	154 Å²	154	90%	0.904	79%	0.792	S	S	*	*			trans	-129.2	115.2	146	-93.9	-27.7	0	0	0	109.4
715	K	27.7	Very low	28.9	Very low	152 Å²	152	155.4 Å²	155.4	66%	0.661	79%	0.788	S	S	*	*			trans	-88.9	140.4	-169.3	171.7	-175.1	-175.8	-149.1	0	109.7	E717	K715-E717 WeakPolarHBondContact CE-OE1 3.33Å; K715-E717 HydrophobicContact CG-CG 4.15Å; K715-E717 IonicContact NZ-OE1 3.71Å; K715-E717 PolarHBondContact NZ-OE1 3.12Å
716	L	30.5	Very low	28.9	Very low	169 Å²	169	152.3 Å²	152.3	89%	0.885	80%	0.795	S	S	*	*			trans	-166.3	75.5	157.6	-97.7	147.8	0	0	0	105.4
717	E	29.7	Very low	29	Very low	145 Å²	145	155 Å²	155	68%	0.678	80%	0.803	S	S	*	*				58.8	87.3	101.6	-73	-174.7	175.8	0	0	112.7	K715	K715-E717 WeakPolarHBondContact CE-OE1 3.33Å; K715-E717 HydrophobicContact CG-CG 4.15Å; K715-E717 IonicContact NZ-OE1 3.71Å; K715-E717 PolarHBondContact NZ-OE1 3.12Å
718	V	28.5	Very low	28.8	Very low	125 Å²	125	149.4 Å²	149.4	76%	0.758	80%	0.797	S	S	*	*			trans	-77.4	130.8	156.2	170.4	0	0	0	0	107.2	E720	V718-E720 HydrophobicContact CG1-CG 4.37Å
719	E	27.8	Very low	29	Very low	195 Å²	195	151.1 Å²	151.1	91%	0.911	80%	0.8	S	S	*	*			trans	-81.6	112.3	162.8	-69	-158.4	156.9	0	0	108.6
720	E	27.8	Very low	28.9	Very low	148 Å²	148	152.3 Å²	152.3	69%	0.692	80%	0.801	S	S	*	*			trans	-87	115.9	171.1	-71.6	-178.6	161.9	0	0	109.3	V718	V718-E720 HydrophobicContact CG1-CG 4.37Å
721	E	28	Very low	28.9	Very low	202 Å²	202	154.5 Å²	154.5	94%	0.944	80%	0.804	S	S	*	*			trans	-83.1	110.6	156.4	-79.2	-175	158.4	0	0	108.5
722	K	26.4	Very low	29.1	Very low	156 Å²	156	157.7 Å²	157.7	68%	0.678	81%	0.809	S	S	*	*			trans	-88.5	144.1	167	-69.2	175.5	178.2	172.5	0	108.5
723	D	30.9	Very low	28.9	Very low	136 Å²	136	159.3 Å²	159.3	73%	0.727	81%	0.811	S	S	*	*				175.9	111.8	128.4	-82.2	-22.5	0	0	0	108.1
724	N	26.9	Very low	29.1	Very low	136 Å²	136	161 Å²	161	73%	0.727	82%	0.815	S	S	*	*				70.6	124.1	110.6	-52.2	-37.8	0	0	0	111.3
725	E	30.6	Very low	29	Very low	186 Å²	186	161.2 Å²	161.2	87%	0.869	82%	0.816	S	S	*	*			cis	-157	143	49.5	-74.2	170.5	152.9	0	0	109.8
726	A	26.8	Very low	29.2	Very low	107 Å²	107	161.1 Å²	161.1	88%	0.884	82%	0.821	S	S	*	*			trans	-89.5	114.8	174.4	0	0	0	0	0	109.4
727	E	30.7	Very low	29.3	Very low	190 Å²	190	159.9 Å²	159.9	89%	0.888	82%	0.815	S	S	*	*			trans	-98.3	102.7	158.8	-70.9	-172.6	164.6	0	0	107.5
728	G	26.4	Very low	29.7	Very low	75 Å²	75	161.3 Å²	161.3	77%	0.773	82%	0.822	S	S	*	*			trans	-88.1	117.9	168.9	0	0	0	0	0	109.2
729	E	29.8	Very low	30	Very low	188 Å²	188	162.9 Å²	162.9	88%	0.879	83%	0.826	S	S	*	*			trans	-114	124.3	160	-77.8	-172.7	156.4	0	0	108.6
730	E	30.9	Very low	30.1	Very low	192 Å²	192	159.9 Å²	159.9	90%	0.897	82%	0.816	S	S	*	*			trans	-59.3	134	-177.5	-73.2	172.5	137.2	0	0	111.1	D732	E730-D732 PolarHBondContact O-N 3.07Å
731	K	29	Very low	30.5	Very low	195 Å²	195	160.2 Å²	160.2	85%	0.848	82%	0.82	S	S	*	*			trans	-85.3	102.5	174.5	-68.5	178.2	179.8	175.9	0	108.4	E733	K731-E733 PolarHBondContact O-N 3.27Å
732	D	31.8	Very low	30.7	Very low	151 Å²	151	161.6 Å²	161.6	81%	0.807	82%	0.818	S	S	*	*			trans	-69.9	108.8	163.1	-73.5	-39	0	0	0	108.8	E730 E734	E730-D732 PolarHBondContact O-N 3.07Å; D732-E734 PolarHBondContact O-N 3.06Å; D732-E734 VanDerWaalsContact O-N 3.08Å
733	E	27	Very low	31.1	Very low	192 Å²	192	161.4 Å²	161.4	90%	0.897	82%	0.824	S	S	*	*			trans	-71.2	88.6	173.2	-72.1	-179	160.5	0	0	109.9	K731	K731-E733 PolarHBondContact O-N 3.27Å
734	E	31.7	Very low	31.2	Very low	173 Å²	173	159 Å²	159	81%	0.808	82%	0.819	S	S	*	*			trans	-87.6	113.4	164.8	-76.4	-167.7	162.1	0	0	110.7	D732 I736	D732-E734 PolarHBondContact O-N 3.06Å; D732-E734 VanDerWaalsContact O-N 3.08Å; E734-I736 PolarHBondContact O-N 3.36Å; E734-I736 VanDerWaalsContact O-N 3.08Å
735	N	29.6	Very low	31.4	Very low	173 Å²	173	162 Å²	162	93%	0.925	82%	0.821	S	S	*	*			trans	-47.2	103.9	168.5	-104.5	-53.9	0	0	0	111.4	D737	N735-D737 PolarHBondContact O-N 3.19Å
736	I	32.5	Very low	31.4	Very low	150 Å²	150	161.1 Å²	161.1	77%	0.769	82%	0.821	S	S	*	*			trans	-90.1	103.8	170.4	-63.8	172.7	0	0	0	108.2	E734 E738	E734-I736 PolarHBondContact O-N 3.36Å; E734-I736 VanDerWaalsContact O-N 3.08Å; I736-E738 PolarHBondContact O-N 3.32Å
737	D	33.3	Very low	31.5	Very low	143 Å²	143	160.6 Å²	160.6	77%	0.765	81%	0.809	S	S	*	*			trans	-62.3	110.2	172.3	-150.8	-12.1	0	0	0	109.5	N735 N739	N735-D737 PolarHBondContact O-N 3.19Å; D737-N739 PolarHBondContact O-N 2.97Å
738	E	36.6	Very low	31.5	Very low	174 Å²	174	159.3 Å²	159.3	81%	0.813	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-69.3	3.3	-165.6	-74.5	-171.3	145.5	0	0	115.7	I736 N740	I736-E738 PolarHBondContact O-N 3.32Å; E738-N740 PolarHBondContact O-N 3.23Å
739	N	34.7	Very low	31.6	Very low	158 Å²	158	165 Å²	165	85%	0.845	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-89.4	18	-170.5	-94.6	-27.2	0	0	0	116.6	D737	D737-N739 PolarHBondContact O-N 2.97Å
740	N	31.6	Very low	31.7	Very low	132 Å²	132	161.3 Å²	161.3	71%	0.706	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-132.3	15.1	176.9	-138.3	4.1	0	0	0	116.4	E738 Y742	E738-N740 PolarHBondContact O-N 3.23Å; N740-Y742 PolarHBondContact O-N 3.29Å
741	M	34.9	Very low	31.7	Very low	155 Å²	155	159.5 Å²	159.5	76%	0.764	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-1.4	-175.7	-164.5	134.2	89.8	0	0	115.2
742	Y	32.8	Very low	31.6	Very low	232 Å²	232	153.2 Å²	153.2	91%	0.91	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	6.5	-176.4	-116.8	-87.6	0	0	0	116.5	N740	N740-Y742 PolarHBondContact O-N 3.29Å
743	N	33.7	Very low	31.5	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	78%	0.777	S	S	*	*	S	Bend	trans	-128.1	14.7	-178.8	-115.1	-14	0	0	0	116.9
744	S	33.8	Very low	31.7	Very low	87 Å²	87	149.8 Å²	149.8	61%	0.608	77%	0.77	S	S	*	*			trans	-124.3	43.9	177.9	58.7	0	0	0	0	113.8
745	Y	32.3	Very low	31.7	Very low	198 Å²	198	147.5 Å²	147.5	78%	0.776	76%	0.764	S	S	*	*			trans	-134.3	61.4	164.7	-81	-81.9	0	0	0	111.7
746	L	28.7	Very low	31.9	Very low	167 Å²	167	145.7 Å²	145.7	87%	0.874	75%	0.754	S	S	*	*			trans	-134.5	86.6	151.2	-83.6	172.1	0	0	0	107.5	N748	L746-N748 PolarHBondContact O-N 3.24Å
747	P	30.6	Very low	31.9	Very low	96 Å²	96	146 Å²	146	62%	0.623	76%	0.757	S	S	*	*			trans	-62.4	123	171.1	-14	28	0	0	0	108.2	Y749	P747-Y749 HydrophobicContact CB-CD2 4.33Å; P747-Y749 PolarHBondContact O-N 3.13Å
748	N	29.1	Very low	32	Very low	163 Å²	163	147.5 Å²	147.5	87%	0.872	76%	0.76	S	S	*	*			trans	-58	85.9	168.2	-85.9	-21.5	0	0	0	109.5	L746 S750	L746-N748 PolarHBondContact O-N 3.24Å; N748-S750 VanDerWaalsContact C-N 3.25Å; N748-S750 PolarHBondContact O-N 3.35Å; N748-S750 VanDerWaalsContact O-N 3.13Å
749	Y	30.2	Very low	32	Very low	196 Å²	196	146.1 Å²	146.1	77%	0.769	76%	0.758	S	S	*	*			trans	-78.7	81	161.3	-97.8	-90.4	0	0	0	107.7	P747 H751	P747-Y749 HydrophobicContact CB-CD2 4.33Å; P747-Y749 PolarHBondContact O-N 3.13Å; Y749-H751 PolarHBondContact O-N 3Å
750	S	29.9	Very low	32.2	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	76%	0.761	S	S	*	*			trans	-84.3	78.5	154.5	61.8	0	0	0	0	107.1	N748 G752	N748-S750 VanDerWaalsContact C-N 3.25Å; N748-S750 PolarHBondContact O-N 3.35Å; N748-S750 VanDerWaalsContact O-N 3.13Å; S750-G752 PolarHBondContact O-N 3.34Å
751	H	30.9	Very low	32.4	Very low	154 Å²	154	146.6 Å²	146.6	71%	0.713	76%	0.759	S	S	*	*			trans	-74.9	117	163	-127.4	-8.5	0	0	0	106.2	Y749 I753	Y749-H751 PolarHBondContact O-N 3Å; H751-I753 PolarHBondContact O-N 3.24Å
752	G	28.6	Very low	32.7	Very low	62 Å²	62	144.8 Å²	144.8	64%	0.639	75%	0.752	S	S	*	*			trans	-55.2	107.7	163.8	0	0	0	0	0	107.3	S750	S750-G752 PolarHBondContact O-N 3.34Å
753	I	29.6	Very low	32.8	Very low	129 Å²	129	144.5 Å²	144.5	66%	0.662	75%	0.75	S	S	*	*			trans	-85.5	110.2	162.1	-63.2	175.6	0	0	0	102.5	H751 D755	H751-I753 PolarHBondContact O-N 3.24Å; I753-D755 WeakPolarHBondContact CG2-OD1 3.28Å; I753-D755 PolarHBondContact O-N 3.1Å
754	D	29.8	Very low	33.2	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	74%	0.74	S	S	*	*			trans	-63.7	91.9	165.9	-62.9	-50.2	0	0	0	106	D756	D754-D756 PolarHBondContact O-N 3.38Å
755	D	32.8	Very low	33.5	Very low	125 Å²	125	143.5 Å²	143.5	67%	0.668	75%	0.75	S	S	*	*			trans	-77.3	51.7	175.4	-66.1	-41.3	0	0	0	110.1	I753	I753-D755 WeakPolarHBondContact CG2-OD1 3.28Å; I753-D755 PolarHBondContact O-N 3.1Å
756	D	33	Very low	33.7	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	74%	0.741	S	S	*	*			trans	-90.7	124.4	161.8	-69.8	-38.6	0	0	0	106.5	D754	D754-D756 PolarHBondContact O-N 3.38Å
757	D	33.6	Very low	34.3	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	73%	0.732	S	S	*	*			trans	92.5	47.7	177.2	-43	-34	0	0	0	116.8
758	E	35.3	Very low	34.9	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	75%	0.746	S	S	*	*			trans	-92.1	95.8	150.1	-83.6	-167.1	163.5	0	0	109.2	D760	E758-D760 PolarHBondContact O-N 3.05Å
759	D	36.2	Very low	35.3	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	75%	0.745	S	S	*	*			trans	-55.2	122.1	166.6	-71.1	-52.1	0	0	0	109.8	I761	D759-I761 PolarHBondContact O-N 3.31Å
760	D	38.5	Very low	35.3	Very low	171 Å²	171	142.6 Å²	142.6	91%	0.914	76%	0.763	S	S	*	*			trans	-55.4	90.6	173.7	-74.7	-50	0	0	0	110.9	E758 D762	E758-D760 PolarHBondContact O-N 3.05Å; D760-D762 PolarHBondContact O-N 3.37Å
761	I	37.2	Very low	35.6	Very low	128 Å²	128	144.3 Å²	144.3	66%	0.656	76%	0.762	S	S	*	*			trans	-79.1	101.6	167.6	-65.4	170.5	0	0	0	107	D759 W763	D759-I761 PolarHBondContact O-N 3.31Å; I761-W763 PolarHBondContact O-N 3.29Å
762	D	40.5	Very low	35.9	Very low	117 Å²	117	143.7 Å²	143.7	63%	0.626	77%	0.765	S	S	*	*			trans	-63.6	110.5	172.6	-180	5.7	0	0	0	110.6	D760 S764	D760-D762 PolarHBondContact O-N 3.37Å; D762-S764 VanDerWaalsContact C-N 3.28Å; D762-S764 VanDerWaalsContact CG-OG 3.26Å; D762-S764 PolarHBondContact O-N 3.23Å; D762-S764 VanDerWaalsContact OD1-CB 3.28Å; D762-S764 WeakPolarHBondContact OD1-CB 3.47Å; D762-S764 PolarHBondContact OD1-N 3.18Å; D762-S764 VanDerWaalsContact OD1-N 3.1Å; D762-S764 PolarHBondContact OD1-OG 3.04Å; D762-S764 PolarHBondContact OD2-OG 3.48Å
763	W	35.5	Very low	36.3	Very low	227 Å²	227	148.3 Å²	148.3	86%	0.86	77%	0.772	S	S	*	*			trans	-84.9	11.6	-178.1	-76.3	86.3	0	0	0	114	I761 T765	I761-W763 PolarHBondContact O-N 3.29Å; W763-T765 VanDerWaalsContact C-N 3.29Å; W763-T765 PolarHBondContact O-N 3.34Å
764	S	41.2	Very low	36.7	Very low	86 Å²	86	149.4 Å²	149.4	60%	0.601	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-76.7	-2.5	-176	62.4	0	0	0	0	115.8	D762	D762-S764 VanDerWaalsContact C-N 3.28Å; D762-S764 VanDerWaalsContact CG-OG 3.26Å; D762-S764 PolarHBondContact O-N 3.23Å; D762-S764 VanDerWaalsContact OD1-CB 3.28Å; D762-S764 WeakPolarHBondContact OD1-CB 3.47Å; D762-S764 PolarHBondContact OD1-N 3.18Å; D762-S764 VanDerWaalsContact OD1-N 3.1Å; D762-S764 PolarHBondContact OD1-OG 3.04Å; D762-S764 PolarHBondContact OD2-OG 3.48Å
765	T	40.3	Very low	37.1	Very low	131 Å²	131	149.9 Å²	149.9	80%	0.804	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-92.9	8.6	-177.3	-1	0	0	0	0	115.6	W763	W763-T765 VanDerWaalsContact C-N 3.29Å; W763-T765 PolarHBondContact O-N 3.34Å
766	G	36.5	Very low	37.4	Very low	58 Å²	58	151.5 Å²	151.5	60%	0.598	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-92.5	-1.2	-177.3	0	0	0	0	0	116.9
767	A	41.6	Very low	37.7	Very low	83 Å²	83	152.6 Å²	152.6	69%	0.686	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-1	-168.2	0	0	0	0	0	116
768	E	43.5	Very low	38	Very low	194 Å²	194	152.5 Å²	152.5	91%	0.907	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	14	179.4	-74.1	-171	164.6	0	0	114.5
769	L	37.7	Very low	38.2	Very low	164 Å²	164	150.5 Å²	150.5	86%	0.859	79%	0.786	S	S	*	*			trans	-122.2	16.9	178.1	-114.6	147.8	0	0	0	114.4
770	W	30.1	Very low	38.4	Very low	302 Å²	302	151 Å²	151	100%	1.144	79%	0.787	S	S	*	*			trans	-129.8	0	166.6	-70.4	66.5	0	0	0	107.3

Retrieved 770 of 770 residues in 690.9 ms (Link to these results)

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