A0A077Z1J1_TRITR Loading...

BAR 3 WASP bdg and PX and SH3 9 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1J1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 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	44.1	Very low	50.4	Low	216 Å²	216	139.7 Å²	139.7	100%	1.064	67%	0.665	S	S	*	*				0	-58.2	0	-76.5	-179	171.5	0	0	113.3	K3 V4	M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.35Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-V4 PolarHBondContact O-N 3.05Å; M1-V4 VanDerWaalsContact O-N 3.17Å
2	L	44	Very low	50.2	Low	153 Å²	153	136.8 Å²	136.8	80%	0.801	65%	0.647	S	S	*	*	H	α-helix	trans	-54.2	-36.3	-173.7	-82.7	83.3	0	0	0	115.6	V4	L2-V4 PolarHBondContact O-N 3.46Å
3	K	46.6	Very low	50.1	Low	205 Å²	205	135.5 Å²	135.5	89%	0.891	65%	0.645	S	S	*	*	H	α-helix	trans	-60.7	-10.6	179.8	-87.9	-163.8	172.4	-170.5	0	116	M1	M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.35Å; M1-K3 VanDerWaalsContact O-N 3.12Å
4	V	47.4	Very low	49.8	Very low	105 Å²	105	129.9 Å²	129.9	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-93.1	-36.6	-176.7	-175.4	0	0	0	0	113	M1 L2 F6 H7	M1-V4 PolarHBondContact O-N 3.05Å; M1-V4 VanDerWaalsContact O-N 3.17Å; L2-V4 PolarHBondContact O-N 3.46Å; V4-F6 PolarHBondContact O-N 2.98Å; V4-H7 PolarHBondContact O-N 2.96Å
5	R	49.8	Very low	49.5	Very low	196 Å²	196	125.1 Å²	125.1	74%	0.74	62%	0.622	S	S	*	*	H	α-helix	trans	-63.4	-42.2	-175.3	-80.4	-171.9	173.6	175.9	-3.7	113.5	H7 E8 D9	R5-H7 PolarHBondContact O-N 2.8Å; R5-E8 PolarHBondContact O-N 2.82Å; R5-E8 VanDerWaalsContact O-N 3.11Å; R5-D9 PolarHBondContact O-N 3.36Å; R5-D9 VanDerWaalsContact O-N 3.1Å
6	F	48.6	Very low	48.9	Very low	152 Å²	152	127.8 Å²	127.8	67%	0.667	63%	0.629	S	S	*	*	H	α-helix	trans	-52.7	-31	-179.5	-89.4	-83.7	0	0	0	114.1	V4 I10	V4-F6 PolarHBondContact O-N 2.98Å; F6-I10 WeakPolarHBondContact O-CB 3.45Å; F6-I10 WeakPolarHBondContact O-CD1 3.34Å; F6-I10 VanDerWaalsContact O-CG1 3.23Å; F6-I10 WeakPolarHBondContact O-CG1 3.2Å; F6-I10 PolarHBondContact O-N 3.29Å
7	H	54.4	Low	48.3	Very low	132 Å²	132	130.2 Å²	130.2	61%	0.611	64%	0.639	S	S	*	*	H	α-helix	trans	-77.1	-41.7	-179.7	-160.7	61.6	0	0	0	112.5	V4 R5 D9 I11	V4-H7 PolarHBondContact O-N 2.96Å; R5-H7 PolarHBondContact O-N 2.8Å; H7-D9 VanDerWaalsContact C-N 3.34Å; H7-D9 PolarHBondContact O-N 3.01Å; H7-I11 WeakPolarHBondContact O-CD1 3.43Å; H7-I11 VanDerWaalsContact O-CG1 3.29Å; H7-I11 WeakPolarHBondContact O-CG1 3.31Å; H7-I11 PolarHBondContact O-N 2.79Å; H7-I11 VanDerWaalsContact O-N 3.13Å
8	E	55.1	Low	47.7	Very low	111 Å²	111	132.9 Å²	132.9	52%	0.519	64%	0.641	S	S	.	*	H	α-helix	trans	-63.1	-40.8	173.7	-82.8	-164.8	-163.4	0	0	112.3	R5 I11 K12	R5-E8 PolarHBondContact O-N 2.82Å; R5-E8 VanDerWaalsContact O-N 3.11Å; E8-I11 WeakPolarHBondContact O-CB 3.21Å; E8-I11 PolarHBondContact O-N 3.45Å; E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.38Å; E8-K12 PolarHBondContact O-N 2.91Å; E8-K12 WeakPolarHBondContact OE2-CE 3.48Å; E8-K12 IonicContact OE2-NZ 2.68Å; E8-K12 PolarHBondContact OE2-NZ 3.28Å
9	D	56.2	Low	47.3	Very low	69 Å²	69	133.7 Å²	133.7	37%	0.369	65%	0.649	S	S	.	*	H	α-helix	trans	-75.2	-31	-173.1	-59.4	-30.3	0	0	0	111.3	R5 H7 K12 I13	R5-D9 PolarHBondContact O-N 3.36Å; R5-D9 VanDerWaalsContact O-N 3.1Å; H7-D9 VanDerWaalsContact C-N 3.34Å; H7-D9 PolarHBondContact O-N 3.01Å; D9-K12 PolarHBondContact O-N 3.17Å; D9-K12 IonicContact OD1-NZ 3.35Å; D9-K12 PolarHBondContact OD1-NZ 2.99Å; D9-I13 VanDerWaalsContact O-CG1 3.29Å; D9-I13 WeakPolarHBondContact O-CG1 3.45Å; D9-I13 PolarHBondContact O-N 2.79Å
10	I	54	Low	47.5	Very low	105 Å²	105	134.3 Å²	134.3	54%	0.538	65%	0.654	S	S	.	*	H	α-helix	trans	-63.4	-42.1	165.8	-71.8	168.2	0	0	0	111.4	F6 K12 I13 A14	F6-I10 WeakPolarHBondContact O-CB 3.45Å; F6-I10 WeakPolarHBondContact O-CD1 3.34Å; F6-I10 VanDerWaalsContact O-CG1 3.23Å; F6-I10 WeakPolarHBondContact O-CG1 3.2Å; F6-I10 PolarHBondContact O-N 3.29Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 2.57Å; I10-I13 PolarHBondContact O-N 3.28Å; I10-A14 WeakPolarHBondContact O-CB 3.33Å; I10-A14 PolarHBondContact O-N 2.81Å
11	I	53.8	Low	48.2	Very low	93 Å²	93	133.4 Å²	133.4	48%	0.477	65%	0.647	S	S	.	*	H	α-helix	trans	-64.1	-38.6	176.1	-69.9	165.7	0	0	0	111.2	H7 E8 A14 A15	H7-I11 WeakPolarHBondContact O-CD1 3.43Å; H7-I11 VanDerWaalsContact O-CG1 3.29Å; H7-I11 WeakPolarHBondContact O-CG1 3.31Å; H7-I11 PolarHBondContact O-N 2.79Å; H7-I11 VanDerWaalsContact O-N 3.13Å; E8-I11 WeakPolarHBondContact O-CB 3.21Å; E8-I11 PolarHBondContact O-N 3.45Å; I11-A14 PolarHBondContact O-N 2.9Å; I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 3.37Å
12	K	48.7	Very low	50	Low	105 Å²	105	126.5 Å²	126.5	46%	0.457	61%	0.614	S	S	.	*	H	α-helix	trans	-66.6	-40.4	176	-69.2	162.3	-158.2	156.8	0	112.1	E8 D9 I10 A15 F16	E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.38Å; E8-K12 PolarHBondContact O-N 2.91Å; E8-K12 WeakPolarHBondContact OE2-CE 3.48Å; E8-K12 IonicContact OE2-NZ 2.68Å; E8-K12 PolarHBondContact OE2-NZ 3.28Å; D9-K12 PolarHBondContact O-N 3.17Å; D9-K12 IonicContact OD1-NZ 3.35Å; D9-K12 PolarHBondContact OD1-NZ 2.99Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 2.57Å; K12-A15 PolarHBondContact O-N 3.04Å; K12-F16 WeakPolarHBondContact O-CB 3.12Å; K12-F16 PolarHBondContact O-N 2.88Å
13	I	48.4	Very low	52.2	Low	119 Å²	119	123.2 Å²	123.2	61%	0.61	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-42.6	174.7	-69	164.2	0	0	0	110.8	D9 I10 A15 F16	D9-I13 VanDerWaalsContact O-CG1 3.29Å; D9-I13 WeakPolarHBondContact O-CG1 3.45Å; D9-I13 PolarHBondContact O-N 2.79Å; I10-I13 PolarHBondContact O-N 3.28Å; I13-A15 VanDerWaalsContact C-N 3.3Å; I13-A15 PolarHBondContact O-N 2.84Å; I13-F16 PolarHBondContact O-N 2.95Å
14	A	45.5	Very low	54.4	Low	58 Å²	58	113.5 Å²	113.5	48%	0.479	55%	0.552	S	S	.	*	H	α-helix	trans	-66.7	-28.2	174.7	0	0	0	0	0	113.4	I10 I11	I10-A14 WeakPolarHBondContact O-CB 3.33Å; I10-A14 PolarHBondContact O-N 2.81Å; I11-A14 PolarHBondContact O-N 2.9Å
15	A	45.2	Very low	56.7	Low	57 Å²	57	111.4 Å²	111.4	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-77.8	-36.1	174.5	0	0	0	0	0	112.8	I11 K12 I13 Q17	I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 3.37Å; K12-A15 PolarHBondContact O-N 3.04Å; I13-A15 VanDerWaalsContact C-N 3.3Å; I13-A15 PolarHBondContact O-N 2.84Å; A15-Q17 PolarHBondContact O-N 2.8Å
16	F	41.4	Very low	58.9	Low	169 Å²	169	102.2 Å²	102.2	74%	0.741	50%	0.501	S	S	*	.	H	α-helix	trans	-68.1	-18.9	-179	-167.1	-100.5	0	0	0	113.5	K12 I13 R18	K12-F16 WeakPolarHBondContact O-CB 3.12Å; K12-F16 PolarHBondContact O-N 2.88Å; I13-F16 PolarHBondContact O-N 2.95Å; F16-R18 PolarHBondContact O-N 3.37Å; F16-R18 VanDerWaalsContact O-N 3.11Å
17	Q	38.3	Very low	61	Low	169 Å²	169	98.3 Å²	98.3	79%	0.79	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	5.9	179.6	-97.7	-169.6	-31.4	0	0	116	A15	A15-Q17 PolarHBondContact O-N 2.8Å
18	R	36.5	Very low	62.8	Low	179 Å²	179	98.8 Å²	98.8	68%	0.675	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-35.5	-167.9	-73.1	-171.4	173.7	179.6	-1.6	117.3	F16 F21	F16-R18 PolarHBondContact O-N 3.37Å; F16-R18 VanDerWaalsContact O-N 3.11Å; R18-F21 WeakPolarHBondContact O-CE2 3.27Å
19	D	40.3	Very low	64.7	Low	147 Å²	147	98.5 Å²	98.5	79%	0.786	49%	0.487	S	S	*	.	S	Bend	trans	-125.4	55.7	-162.5	-65.8	-69.4	0	0	0	113.7
20	L	50.8	Low	66.5	Low	146 Å²	146	96.8 Å²	96.8	76%	0.764	48%	0.476	S	S	*	.			trans	-127.5	31.3	173.7	-106.9	161.4	0	0	0	113
21	F	63.2	Low	68.4	Low	116 Å²	116	98.4 Å²	98.4	51%	0.509	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-70.7	133	168	-61.3	-71.9	0	0	0	110.5	R18 Q23 T50	R18-F21 WeakPolarHBondContact O-CE2 3.27Å; F21-Q23 PolarHBondContact O-N 2.84Å; F21-T50 HydrophobicContact CD1-CG2 4.35Å; F21-T50 HydrophobicContact CE1-CG2 4.11Å
22	I	81.8	Confident	70.1	Confident	71 Å²	71	95.1 Å²	95.1	36%	0.364	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.5	178.2	-71.9	167	0	0	0	108.6	V24 V49 I78	I22-V24 HydrophobicContact CG2-CG1 4.22Å; I22-V49 HydrophobicContact CB-CB 4.38Å; I22-V49 WeakPolarHBondContact O-CB 3.46Å; I22-V49 WeakPolarHBondContact O-CG2 3.21Å; I22-V49 PolarHBondContact O-N 2.71Å; I22-I78 HydrophobicContact CG2-CD1 4.45Å; I22-I78 HydrophobicContact CG2-CG1 4.22Å; I22-I78 HydrophobicContact CG2-CG2 3.9Å
23	Q	89.9	Confident	72	Confident	84 Å²	84	96.8 Å²	96.8	39%	0.393	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.3	174.6	-78	-96	-60.1	0	0	110.6	F21 L47 S48 V79	F21-Q23 PolarHBondContact O-N 2.84Å; Q23-L47 WeakPolarHBondContact CA-O 3.37Å; Q23-S48 PolarHBondContact NE2-OG 2.81Å; Q23-V79 HydrophobicContact CB-CB 4.44Å; Q23-V79 PolarHBondContact O-N 3.19Å
24	V	93.5	Very high	73.7	Confident	0 Å²	0	97 Å²	97	0%	0	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.8	176.8	-56.9	0	0	0	0	110.4	I22 Y46 L47 V49 W59 F71 V76 Q77 I78	I22-V24 HydrophobicContact CG2-CG1 4.22Å; V24-Y46 CarbonylContact O-C 3.58Å; V24-Y46 VanDerWaalsContact O-CA 3.31Å; V24-Y46 WeakPolarHBondContact O-CA 3.48Å; V24-L47 HydrophobicContact CG2-CB 3.73Å; V24-L47 HydrophobicContact CG2-CD1 4.14Å; V24-L47 HydrophobicContact CG2-CG 4.13Å; V24-L47 PolarHBondContact N-O 3.23Å; V24-L47 PolarHBondContact O-N 2.66Å; V24-V49 HydrophobicContact CB-CG2 4.35Å; V24-V49 HydrophobicContact CG1-CG2 3.47Å; V24-V49 VanDerWaalsContact CG1-CG2 3.47Å; V24-V49 HydrophobicContact CG2-CG2 3.88Å; V24-W59 HydrophobicContact CG1-CE3 4.46Å; V24-W59 HydrophobicContact CG1-CZ3 3.95Å; V24-F71 HydrophobicContact CG2-CE2 4.4Å; V24-F71 HydrophobicContact CG2-CZ 4.37Å; V24-V76 HydrophobicContact CB-CB 4Å; V24-V76 HydrophobicContact CB-CG2 4.24Å; V24-V76 HydrophobicContact CG1-CG2 4.44Å; V24-V76 HydrophobicContact CG2-CB 3.93Å; V24-V76 HydrophobicContact CG2-CG1 4Å; V24-V76 HydrophobicContact CG2-CG2 4.19Å; V24-Q77 CarbonylContact C-O 3.52Å; V24-Q77 WeakPolarHBondContact CA-O 3.29Å; V24-Q77 WeakPolarHBondContact CB-O 3.22Å; V24-I78 HydrophobicContact CG1-CG1 4.13Å
25	Q	95.2	Very high	75.4	Confident	62 Å²	62	102.8 Å²	102.8	29%	0.29	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.9	172.2	-174.1	172.4	28.4	0	0	109.6	E45 Y46 V76 Q77 V79	Q25-E45 CarbonylContact C-O 3.57Å; Q25-E45 WeakPolarHBondContact CA-O 3.47Å; Q25-Y46 HydrophobicContact CB-CD1 4.19Å; Q25-Y46 HydrophobicContact CB-CE1 3.97Å; Q25-Y46 HydrophobicContact CG-CE1 4.19Å; Q25-Y46 PolarHBondContact NE2-OH 2.65Å; Q25-V76 CarbonylContact O-C 3.6Å; Q25-V76 VanDerWaalsContact O-CA 3.27Å; Q25-V76 WeakPolarHBondContact O-CA 3.33Å; Q25-Q77 PolarHBondContact N-O 2.84Å; Q25-Q77 PolarHBondContact O-N 3.4Å; Q25-V79 HydrophobicContact CB-CG2 3.73Å
26	V	95.4	Very high	77.5	Confident	3 Å²	3	102.6 Å²	102.6	2%	0.018	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.8	179	-179.5	0	0	0	0	110.1	Y28 V41 S42 G44 E45 L47 V76	V26-Y28 WeakPolarHBondContact CG1-O 3.43Å; V26-V41 HydrophobicContact CG1-CB 4.22Å; V26-V41 HydrophobicContact CG1-CG2 3.91Å; V26-V41 HydrophobicContact CG2-CB 3.93Å; V26-V41 HydrophobicContact CG2-CG2 4.14Å; V26-S42 WeakPolarHBondContact CB-O 3.35Å; V26-S42 WeakPolarHBondContact CG1-O 3.43Å; V26-G44 PolarHBondContact O-N 3.39Å; V26-E45 HydrophobicContact CG2-CB 4.25Å; V26-E45 WeakPolarHBondContact CG2-O 3.31Å; V26-E45 PolarHBondContact N-O 3.07Å; V26-L47 HydrophobicContact CG2-CD1 3.71Å; V26-L47 HydrophobicContact CG2-CD2 4.03Å; V26-L47 HydrophobicContact CG2-CG 3.77Å; V26-V76 HydrophobicContact CG2-CG1 4.13Å
27	L	93	Very high	79.7	Confident	70 Å²	70	96.9 Å²	96.9	37%	0.366	50%	0.498	S	S	.	.			trans	-97.6	-28.6	-176.6	-61.1	178.5	0	0	0	113.1	Y75 Q77	L27-Y75 PolarHBondContact N-O 3.21Å; L27-Q77 HydrophobicContact CD1-CB 4.24Å; L27-Q77 HydrophobicContact CD2-CB 4.02Å; L27-Q77 HydrophobicContact CG-CB 4.29Å
28	Y	92.5	Very high	82.4	Confident	142 Å²	142	91.3 Å²	91.3	56%	0.557	47%	0.472	S	S	*	.	S	Bend	trans	-142.3	147.7	-177.2	-49.8	-75.7	0	0	0	109.8	V26 Y75	V26-Y28 WeakPolarHBondContact CG1-O 3.43Å; Y28-Y75 HydrophobicContact CD2-CD1 4.41Å; Y28-Y75 HydrophobicContact CD2-CG 4.3Å
29	D	94.3	Very high	85.1	Confident	105 Å²	105	83 Å²	83	56%	0.561	44%	0.441	S	S	*	.			trans	-63.5	138.8	172.8	-53.4	-57	0	0	0	110.9	V41 S42 A43 Y75	D29-V41 WeakPolarHBondContact CA-O 3.42Å; D29-S42 WeakPolarHBondContact OD1-CA 3.01Å; D29-S42 WeakPolarHBondContact OD1-CB 3.28Å; D29-A43 PolarHBondContact OD1-N 3.34Å; D29-Y75 WeakPolarHBondContact O-CE1 3.38Å
30	F	93.9	Very high	87.7	Confident	32 Å²	32	78 Å²	78	14%	0.14	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-139.6	116.7	175.1	170.3	-98.2	0	0	0	109.2	E38 L39 S40 V41 W58 P72 Y75	F30-E38 HydrophobicContact CE1-CB 4.07Å; F30-E38 HydrophobicContact CZ-CB 4.25Å; F30-E38 HydrophobicContact CZ-CG 4.34Å; F30-L39 WeakPolarHBondContact CD1-O 3.47Å; F30-S40 CarbonylContact O-C 3.59Å; F30-S40 VanDerWaalsContact O-CA 3.28Å; F30-S40 WeakPolarHBondContact O-CA 3.36Å; F30-V41 HydrophobicContact CB-CG2 4Å; F30-V41 HydrophobicContact CD1-CG2 4.4Å; F30-V41 PolarHBondContact N-O 3.07Å; F30-V41 PolarHBondContact O-N 3.42Å; F30-W58 HydrophobicContact CE1-CZ3 4.4Å; F30-W58 HydrophobicContact CE2-CH2 4.2Å; F30-W58 AromaticContact CZ-CH2 3.76Å; F30-W58 HydrophobicContact CZ-CH2 3.76Å; F30-W58 AromaticContact CZ-CZ3 3.93Å; F30-W58 HydrophobicContact CZ-CZ3 3.93Å; F30-P72 HydrophobicContact CD2-CG 3.91Å; F30-P72 HydrophobicContact CE2-CG 3.94Å; F30-P72 HydrophobicContact CG-CG 4.32Å; F30-P72 HydrophobicContact CZ-CG 4.37Å; F30-Y75 HydrophobicContact CB-CD1 3.79Å; F30-Y75 HydrophobicContact CB-CE1 3.99Å; F30-Y75 HydrophobicContact CD2-CE1 4.43Å
31	D	94	Very high	89.8	Confident	140 Å²	140	71.2 Å²	71.2	75%	0.749	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-91.3	116.9	175.5	-68.4	-58.5	0	0	0	110.1
32	A	90.6	Very high	91.3	Very high	24 Å²	24	68.8 Å²	68.8	20%	0.198	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.5	173.9	0	0	0	0	0	111.9	E38 S40	A32-E38 VanDerWaalsContact CB-C 3.48Å; A32-E38 HydrophobicContact CB-CB 3.53Å; A32-E38 WeakPolarHBondContact CB-O 3.49Å; A32-S40 WeakPolarHBondContact CB-OG 3.4Å; A32-S40 PolarHBondContact N-OG 2.79Å
33	Q	88.1	Confident	91.9	Very high	140 Å²	140	68 Å²	68	65%	0.654	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-72.9	140.7	170	-63.9	-173.6	16.7	0	0	110.6	D35 S36 E38	Q33-D35 PolarHBondContact O-N 3.45Å; Q33-S36 VanDerWaalsContact O-CB 3.27Å; Q33-S36 WeakPolarHBondContact O-CB 3.5Å; Q33-S36 PolarHBondContact O-N 3.3Å; Q33-S36 PolarHBondContact O-OG 3.02Å; Q33-E38 PolarHBondContact N-OE2 3.04Å
34	P	84	Confident	91.9	Very high	124 Å²	124	65.8 Å²	65.8	81%	0.805	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	138.9	173.6	-26.9	35.3	0	0	0	112.5	S36	P34-S36 PolarHBondContact O-N 3.24Å; P34-S36 VanDerWaalsContact O-N 3.09Å
35	D	81.7	Confident	91.9	Very high	178 Å²	178	66.7 Å²	66.7	95%	0.952	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	12.9	-179.3	-60.8	-36	0	0	0	116.8	Q33	Q33-D35 PolarHBondContact O-N 3.45Å
36	S	88.2	Confident	91.9	Very high	53 Å²	53	68.8 Å²	68.8	37%	0.371	39%	0.393	S	S	.	.	S	Bend	trans	-78.5	-25.8	179.6	63.3	0	0	0	0	115.2	Q33 P34 E38	Q33-S36 VanDerWaalsContact O-CB 3.27Å; Q33-S36 WeakPolarHBondContact O-CB 3.5Å; Q33-S36 PolarHBondContact O-N 3.3Å; Q33-S36 PolarHBondContact O-OG 3.02Å; P34-S36 PolarHBondContact O-N 3.24Å; P34-S36 VanDerWaalsContact O-N 3.09Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 WeakPolarHBondContact OG-CB 3.43Å; S36-E38 VanDerWaalsContact OG-CG 3.29Å; S36-E38 WeakPolarHBondContact OG-CG 3.4Å; S36-E38 PolarHBondContact OG-N 3.28Å; S36-E38 PolarHBondContact OG-OE2 3.09Å
37	G	88.8	Confident	91.8	Very high	49 Å²	49	68.6 Å²	68.6	51%	0.505	39%	0.392	S	S	.	.	S	Bend	trans	82	5	-165.5	0	0	0	0	0	114.4	G69 L70	G37-G69 WeakPolarHBondContact O-CA 3.5Å; G37-L70 PolarHBondContact O-N 3.38Å
38	E	94.5	Very high	91.8	Very high	52 Å²	52	66.9 Å²	66.9	24%	0.243	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-75.2	160.1	169.5	-60.5	167.6	155.4	0	0	111.3	F30 A32 Q33 S36 W58 L70	F30-E38 HydrophobicContact CE1-CB 4.07Å; F30-E38 HydrophobicContact CZ-CB 4.25Å; F30-E38 HydrophobicContact CZ-CG 4.34Å; A32-E38 VanDerWaalsContact CB-C 3.48Å; A32-E38 HydrophobicContact CB-CB 3.53Å; A32-E38 WeakPolarHBondContact CB-O 3.49Å; Q33-E38 PolarHBondContact N-OE2 3.04Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 WeakPolarHBondContact OG-CB 3.43Å; S36-E38 VanDerWaalsContact OG-CG 3.29Å; S36-E38 WeakPolarHBondContact OG-CG 3.4Å; S36-E38 PolarHBondContact OG-N 3.28Å; S36-E38 PolarHBondContact OG-OE2 3.09Å; E38-W58 HydrophobicContact CG-CH2 4.24Å; E38-W58 HydrophobicContact CG-CZ3 4.15Å; E38-W58 WeakPolarHBondContact OE1-CH2 3.43Å; E38-L70 CarbonylContact C-O 3.55Å; E38-L70 VanDerWaalsContact CA-O 3.26Å; E38-L70 WeakPolarHBondContact CA-O 3.48Å
39	L	93.3	Very high	91.7	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.026	36%	0.362	C	S	.	.			trans	-116.4	116.1	-177.6	-175.6	62.8	0	0	0	110.4	F30 V41 N63 E67 L70 F71	F30-L39 WeakPolarHBondContact CD1-O 3.47Å; L39-V41 HydrophobicContact CD2-CG1 4.1Å; L39-V41 HydrophobicContact CG-CG1 3.9Å; L39-V41 PolarHBondContact O-N 2.92Å; L39-N63 HydrophobicContact CD2-CB 4.12Å; L39-E67 HydrophobicContact CD1-CB 3.57Å; L39-E67 WeakPolarHBondContact CD1-O 3.31Å; L39-L70 PolarHBondContact N-O 2.93Å; L39-F71 HydrophobicContact CD2-CD1 4.02Å; L39-F71 HydrophobicContact CD2-CE1 4.42Å
40	S	95.6	Very high	91.5	Very high	43 Å²	43	57.7 Å²	57.7	30%	0.301	35%	0.348	S	S	.	.			trans	-67.7	126.3	173.7	-66	0	0	0	0	110.5	F30 A32 R65	F30-S40 CarbonylContact O-C 3.59Å; F30-S40 VanDerWaalsContact O-CA 3.28Å; F30-S40 WeakPolarHBondContact O-CA 3.36Å; A32-S40 WeakPolarHBondContact CB-OG 3.4Å; A32-S40 PolarHBondContact N-OG 2.79Å; S40-R65 PolarHBondContact O-NH2 3.36Å
41	V	94.3	Very high	91.1	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-138.2	141.8	-176.1	-65.2	0	0	0	0	110.8	V26 D29 F30 L39 L47	V26-V41 HydrophobicContact CG1-CB 4.22Å; V26-V41 HydrophobicContact CG1-CG2 3.91Å; V26-V41 HydrophobicContact CG2-CB 3.93Å; V26-V41 HydrophobicContact CG2-CG2 4.14Å; D29-V41 WeakPolarHBondContact CA-O 3.42Å; F30-V41 HydrophobicContact CB-CG2 4Å; F30-V41 HydrophobicContact CD1-CG2 4.4Å; F30-V41 PolarHBondContact N-O 3.07Å; F30-V41 PolarHBondContact O-N 3.42Å; L39-V41 HydrophobicContact CD2-CG1 4.1Å; L39-V41 HydrophobicContact CG-CG1 3.9Å; L39-V41 PolarHBondContact O-N 2.92Å; V41-L47 HydrophobicContact CB-CD2 4.45Å; V41-L47 HydrophobicContact CG1-CD1 3.92Å; V41-L47 HydrophobicContact CG1-CD2 3.65Å; V41-L47 HydrophobicContact CG1-CG 4.45Å
42	S	94.2	Very high	90.8	Very high	65 Å²	65	59.5 Å²	59.5	46%	0.455	35%	0.347	S	S	.	.			trans	-109.1	148.9	-178.9	-59.8	0	0	0	0	112.2	V26 D29 G44 E45	V26-S42 WeakPolarHBondContact CB-O 3.35Å; V26-S42 WeakPolarHBondContact CG1-O 3.43Å; D29-S42 WeakPolarHBondContact OD1-CA 3.01Å; D29-S42 WeakPolarHBondContact OD1-CB 3.28Å; S42-G44 PolarHBondContact O-N 3.05Å; S42-E45 WeakPolarHBondContact O-CB 3.43Å; S42-E45 PolarHBondContact O-N 3.16Å
43	A	94.4	Very high	90.1	Very high	54 Å²	54	65.9 Å²	65.9	45%	0.446	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	126.7	179	0	0	0	0	0	111.5	D29	D29-A43 PolarHBondContact OD1-N 3.34Å
44	G	90.7	Very high	89.6	Confident	37 Å²	37	62.2 Å²	62.2	38%	0.381	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-12.1	-174.3	0	0	0	0	0	115.5	V26 S42	V26-G44 PolarHBondContact O-N 3.39Å; S42-G44 PolarHBondContact O-N 3.05Å
45	E	94.1	Very high	89.2	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.093	35%	0.346	C	S	.	.			trans	-65.8	149	174.6	-175.5	163.8	-155.3	0	0	111.6	Q25 V26 S42 L47 N63 S64 R65	Q25-E45 CarbonylContact C-O 3.57Å; Q25-E45 WeakPolarHBondContact CA-O 3.47Å; V26-E45 HydrophobicContact CG2-CB 4.25Å; V26-E45 WeakPolarHBondContact CG2-O 3.31Å; V26-E45 PolarHBondContact N-O 3.07Å; S42-E45 WeakPolarHBondContact O-CB 3.43Å; S42-E45 PolarHBondContact O-N 3.16Å; E45-L47 HydrophobicContact CG-CD2 4.06Å; E45-N63 WeakPolarHBondContact OE1-CB 3.3Å; E45-S64 WeakPolarHBondContact OE1-CB 3.47Å; E45-S64 PolarHBondContact OE1-N 3.02Å; E45-S64 PolarHBondContact OE1-OG 3.23Å; E45-R65 VanDerWaalsContact CD-NH1 3.28Å; E45-R65 IonicContact OE1-NH1 3.04Å; E45-R65 PolarHBondContact OE1-NH1 3.48Å; E45-R65 IonicContact OE2-CZ 3.88Å; E45-R65 IonicContact OE2-NH1 2.81Å; E45-R65 PolarHBondContact OE2-NH1 3.43Å
46	Y	93.5	Very high	89	Confident	105 Å²	105	57.1 Å²	57.1	41%	0.412	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.3	175.9	-68.9	-94.8	0	0	0	110.7	V24 Q25 V79	V24-Y46 CarbonylContact O-C 3.58Å; V24-Y46 VanDerWaalsContact O-CA 3.31Å; V24-Y46 WeakPolarHBondContact O-CA 3.48Å; Q25-Y46 HydrophobicContact CB-CD1 4.19Å; Q25-Y46 HydrophobicContact CB-CE1 3.97Å; Q25-Y46 HydrophobicContact CG-CE1 4.19Å; Q25-Y46 PolarHBondContact NE2-OH 2.65Å; Y46-V79 HydrophobicContact CD1-CG2 4.01Å; Y46-V79 HydrophobicContact CE1-CG1 4.38Å; Y46-V79 HydrophobicContact CE1-CG2 3.76Å
47	L	93.7	Very high	89	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.3	179.9	-36.6	173.5	0	0	0	110.7	Q23 V24 V26 V41 E45 I62 N63 F71 V76	Q23-L47 WeakPolarHBondContact CA-O 3.37Å; V24-L47 HydrophobicContact CG2-CB 3.73Å; V24-L47 HydrophobicContact CG2-CD1 4.14Å; V24-L47 HydrophobicContact CG2-CG 4.13Å; V24-L47 PolarHBondContact N-O 3.23Å; V24-L47 PolarHBondContact O-N 2.66Å; V26-L47 HydrophobicContact CG2-CD1 3.71Å; V26-L47 HydrophobicContact CG2-CD2 4.03Å; V26-L47 HydrophobicContact CG2-CG 3.77Å; V41-L47 HydrophobicContact CB-CD2 4.45Å; V41-L47 HydrophobicContact CG1-CD1 3.92Å; V41-L47 HydrophobicContact CG1-CD2 3.65Å; V41-L47 HydrophobicContact CG1-CG 4.45Å; E45-L47 HydrophobicContact CG-CD2 4.06Å; L47-I62 CarbonylContact C-O 3.49Å; L47-I62 WeakPolarHBondContact CA-O 3.49Å; L47-N63 HydrophobicContact CD2-CB 3.49Å; L47-N63 VanDerWaalsContact CD2-CB 3.49Å; L47-F71 HydrophobicContact CB-CE1 4.43Å; L47-F71 HydrophobicContact CB-CZ 4.39Å; L47-F71 HydrophobicContact CD1-CD1 3.71Å; L47-F71 HydrophobicContact CD1-CD2 3.96Å; L47-F71 HydrophobicContact CD1-CE1 3.51Å; L47-F71 HydrophobicContact CD1-CE2 3.8Å; L47-F71 HydrophobicContact CD1-CG 3.91Å; L47-F71 HydrophobicContact CD1-CZ 3.57Å; L47-V76 HydrophobicContact CD1-CG1 4.08Å
48	S	92.9	Very high	89.2	Confident	34 Å²	34	57.9 Å²	57.9	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.8	168.7	-73.3	0	0	0	0	109.8	Q23 T50 G61 I62	Q23-S48 PolarHBondContact NE2-OG 2.81Å; S48-T50 PolarHBondContact O-N 2.64Å; S48-G61 CarbonylContact O-C 3.57Å; S48-G61 WeakPolarHBondContact O-CA 3.46Å; S48-I62 PolarHBondContact N-O 2.93Å; S48-I62 PolarHBondContact O-N 2.96Å
49	V	91.6	Very high	89.2	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119.2	-177.8	-178.9	0	0	0	0	110.7	I22 V24 Q52 W59 E60 F71	I22-V49 HydrophobicContact CB-CB 4.38Å; I22-V49 WeakPolarHBondContact O-CB 3.46Å; I22-V49 WeakPolarHBondContact O-CG2 3.21Å; I22-V49 PolarHBondContact O-N 2.71Å; V24-V49 HydrophobicContact CB-CG2 4.35Å; V24-V49 HydrophobicContact CG1-CG2 3.47Å; V24-V49 VanDerWaalsContact CG1-CG2 3.47Å; V24-V49 HydrophobicContact CG2-CG2 3.88Å; V49-Q52 HydrophobicContact CG1-CG 3.58Å; V49-W59 HydrophobicContact CG2-CE3 4.04Å; V49-W59 HydrophobicContact CG2-CZ3 4.45Å; V49-E60 CarbonylContact C-O 3.56Å; V49-E60 WeakPolarHBondContact CA-O 3.43Å; V49-F71 HydrophobicContact CG2-CZ 4.2Å
50	T	88.7	Confident	89.2	Confident	44 Å²	44	56.8 Å²	56.8	27%	0.27	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-37.8	176	52.6	0	0	0	0	112.3	F21 S48 E60 G61 I62 H68	F21-T50 HydrophobicContact CD1-CG2 4.35Å; F21-T50 HydrophobicContact CE1-CG2 4.11Å; S48-T50 PolarHBondContact O-N 2.64Å; T50-E60 PolarHBondContact N-O 3.03Å; T50-E60 VanDerWaalsContact OG1-C 3.31Å; T50-E60 PolarHBondContact OG1-O 3.19Å; T50-E60 PolarHBondContact OG1-OE2 2.94Å; T50-G61 WeakPolarHBondContact OG1-CA 3.44Å; T50-G61 PolarHBondContact OG1-N 3.43Å; T50-I62 HydrophobicContact CG2-CD1 4.19Å; T50-I62 HydrophobicContact CG2-CG1 4.05Å; T50-H68 PolarHBondContact OG1-NE2 2.9Å
51	R	86.5	Confident	89	Confident	142 Å²	142	54.7 Å²	54.7	54%	0.536	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	126.4	179.8	-61.7	-170.7	-82.9	-179.1	-4.2	111.6	V54 E60	R51-V54 HydrophobicContact CB-CG2 3.69Å; R51-E60 HydrophobicContact CB-CB 4.08Å; R51-E60 IonicContact CZ-OE1 3.11Å; R51-E60 IonicContact CZ-OE2 3.33Å; R51-E60 PolarHBondContact N-O 2.94Å; R51-E60 VanDerWaalsContact N-O 3.15Å; R51-E60 IonicContact NE-OE1 3.1Å; R51-E60 PolarHBondContact NE-OE1 2.99Å; R51-E60 IonicContact NE-OE2 3.95Å; R51-E60 PolarHBondContact NE-OE2 2.88Å; R51-E60 IonicContact NH2-OE1 3.15Å; R51-E60 PolarHBondContact NH2-OE1 2.88Å; R51-E60 IonicContact NH2-OE2 3.22Å; R51-E60 PolarHBondContact O-N 3.06Å
52	Q	87.1	Confident	89	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-14.3	176.2	-68.6	-178.3	5.1	0	0	114	V49 W59	V49-Q52 HydrophobicContact CG1-CG 3.58Å; Q52-W59 VanDerWaalsContact CA-CD1 3.49Å; Q52-W59 HydrophobicContact CB-CG 4.46Å; Q52-W59 HydrophobicContact CG-CD2 4.04Å; Q52-W59 HydrophobicContact CG-CG 4.3Å; Q52-W59 HydrophobicContact CG-CZ2 4.13Å; Q52-W59 PolarHBondContact O-NE1 3.16Å
53	N	75.7	Confident	88.9	Confident	158 Å²	158	55.2 Å²	55.2	85%	0.845	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	48.1	-167.8	-59	11.7	0	0	0	111.5
54	V	79.1	Confident	88.6	Confident	64 Å²	64	57 Å²	57	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-30.8	-178.6	-167.5	0	0	0	0	112.2	R51 E60 L70	R51-V54 HydrophobicContact CB-CG2 3.69Å; V54-E60 HydrophobicContact CG2-CB 4.07Å; V54-L70 HydrophobicContact CB-CD2 4.1Å; V54-L70 HydrophobicContact CG1-CD2 3.81Å; V54-L70 HydrophobicContact CG2-CD2 4.23Å
55	G	73.8	Confident	88.5	Confident	41 Å²	41	60.9 Å²	60.9	42%	0.423	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	171.1	170.5	0	0	0	0	0	111.5	G57 W58	G55-G57 PolarHBondContact O-N 2.95Å; G55-W58 PolarHBondContact O-N 3.13Å; G55-W58 VanDerWaalsContact O-N 3.1Å
56	D	78.9	Confident	88.2	Confident	153 Å²	153	62.7 Å²	62.7	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	111	176.1	-84.9	-27.5	0	0	0	110.6
57	G	87.2	Confident	88.1	Confident	36 Å²	36	61.8 Å²	61.8	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	9.8	178.1	0	0	0	0	0	116.4	G55 Q73	G55-G57 PolarHBondContact O-N 2.95Å; G57-Q73 WeakPolarHBondContact O-CB 3.42Å; G57-Q73 PolarHBondContact O-N 2.97Å
58	W	92.8	Very high	88	Confident	83 Å²	83	66.6 Å²	66.6	31%	0.314	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	-180	-72.7	90	0	0	0	112.7	F30 E38 G55 L70 P72	F30-W58 HydrophobicContact CE1-CZ3 4.4Å; F30-W58 HydrophobicContact CE2-CH2 4.2Å; F30-W58 AromaticContact CZ-CH2 3.76Å; F30-W58 HydrophobicContact CZ-CH2 3.76Å; F30-W58 AromaticContact CZ-CZ3 3.93Å; F30-W58 HydrophobicContact CZ-CZ3 3.93Å; E38-W58 HydrophobicContact CG-CH2 4.24Å; E38-W58 HydrophobicContact CG-CZ3 4.15Å; E38-W58 WeakPolarHBondContact OE1-CH2 3.43Å; G55-W58 PolarHBondContact O-N 3.13Å; G55-W58 VanDerWaalsContact O-N 3.1Å; W58-L70 HydrophobicContact CE3-CB 3.95Å; W58-L70 HydrophobicContact CZ3-CB 4.28Å; W58-P72 HydrophobicContact CH2-CG 4.24Å; W58-P72 HydrophobicContact CZ3-CG 4.13Å
59	W	94.3	Very high	88	Confident	17 Å²	17	65.2 Å²	65.2	6%	0.064	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	159.8	173.1	-72.8	-0.7	0	0	0	110.3	V24 V49 Q52 L70 F71 Q73 V76 I78	V24-W59 HydrophobicContact CG1-CE3 4.46Å; V24-W59 HydrophobicContact CG1-CZ3 3.95Å; V49-W59 HydrophobicContact CG2-CE3 4.04Å; V49-W59 HydrophobicContact CG2-CZ3 4.45Å; Q52-W59 VanDerWaalsContact CA-CD1 3.49Å; Q52-W59 HydrophobicContact CB-CG 4.46Å; Q52-W59 HydrophobicContact CG-CD2 4.04Å; Q52-W59 HydrophobicContact CG-CG 4.3Å; Q52-W59 HydrophobicContact CG-CZ2 4.13Å; Q52-W59 PolarHBondContact O-NE1 3.16Å; W59-L70 CarbonylContact O-C 3.59Å; W59-L70 WeakPolarHBondContact O-CA 3.35Å; W59-F71 HydrophobicContact CB-CD2 4.28Å; W59-F71 HydrophobicContact CB-CE2 3.73Å; W59-F71 HydrophobicContact CB-CZ 4.04Å; W59-F71 HydrophobicContact CE3-CE2 4.29Å; W59-F71 PolarHBondContact N-O 3.31Å; W59-F71 PolarHBondContact O-N 3.35Å; W59-Q73 HydrophobicContact CD2-CB 4.09Å; W59-Q73 HydrophobicContact CD2-CG 3.94Å; W59-Q73 HydrophobicContact CE3-CG 4.41Å; W59-Q73 HydrophobicContact CG-CB 4.13Å; W59-Q73 HydrophobicContact CG-CG 4.44Å; W59-Q73 HydrophobicContact CH2-CG 4.14Å; W59-Q73 HydrophobicContact CZ2-CG 3.66Å; W59-Q73 VanDerWaalsContact CZ2-NE2 3.34Å; W59-Q73 HydrophobicContact CZ3-CG 4.48Å; W59-V76 HydrophobicContact CE3-CG2 3.74Å; W59-V76 HydrophobicContact CZ3-CG2 3.77Å; W59-I78 HydrophobicContact CH2-CD1 4.07Å; W59-I78 HydrophobicContact CH2-CG1 4.11Å; W59-I78 HydrophobicContact CZ3-CG1 4.28Å
60	E	93.6	Very high	88.1	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.075	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.7	174	-166.6	-164.1	-111.8	0	0	109.5	V49 T50 R51 V54 H68 G69 L70	V49-E60 CarbonylContact C-O 3.56Å; V49-E60 WeakPolarHBondContact CA-O 3.43Å; T50-E60 PolarHBondContact N-O 3.03Å; T50-E60 VanDerWaalsContact OG1-C 3.31Å; T50-E60 PolarHBondContact OG1-O 3.19Å; T50-E60 PolarHBondContact OG1-OE2 2.94Å; R51-E60 HydrophobicContact CB-CB 4.08Å; R51-E60 IonicContact CZ-OE1 3.11Å; R51-E60 IonicContact CZ-OE2 3.33Å; R51-E60 PolarHBondContact N-O 2.94Å; R51-E60 VanDerWaalsContact N-O 3.15Å; R51-E60 IonicContact NE-OE1 3.1Å; R51-E60 PolarHBondContact NE-OE1 2.99Å; R51-E60 IonicContact NE-OE2 3.95Å; R51-E60 PolarHBondContact NE-OE2 2.88Å; R51-E60 IonicContact NH2-OE1 3.15Å; R51-E60 PolarHBondContact NH2-OE1 2.88Å; R51-E60 IonicContact NH2-OE2 3.22Å; R51-E60 PolarHBondContact O-N 3.06Å; V54-E60 HydrophobicContact CG2-CB 4.07Å; E60-H68 WeakPolarHBondContact CG-NE2 3.43Å; E60-H68 IonicContact OE1-CE1 3.55Å; E60-H68 PolarHBondContact OE1-CE1 3.29Å; E60-H68 IonicContact OE1-NE2 3.06Å; E60-H68 IonicContact OE2-CE1 3.33Å; E60-H68 IonicContact OE2-NE2 3.34Å; E60-H68 PolarHBondContact OE2-NE2 3.49Å; E60-G69 WeakPolarHBondContact CA-O 3.07Å; E60-G69 WeakPolarHBondContact CG-O 3.47Å; E60-L70 HydrophobicContact CB-CD2 3.81Å; E60-L70 HydrophobicContact CG-CD2 4.04Å
61	G	92.9	Very high	88.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-172.2	176.1	0	0	0	0	0	113	S48 T50 H68 G69	S48-G61 CarbonylContact O-C 3.57Å; S48-G61 WeakPolarHBondContact O-CA 3.46Å; T50-G61 WeakPolarHBondContact OG1-CA 3.44Å; T50-G61 PolarHBondContact OG1-N 3.43Å; G61-H68 WeakPolarHBondContact O-CA 3.32Å; G61-H68 PolarHBondContact O-CD2 2.89Å; G61-H68 VanDerWaalsContact O-CD2 3.24Å; G61-G69 PolarHBondContact N-O 3.17Å; G61-G69 PolarHBondContact O-N 3.02Å
62	I	94.1	Very high	88.8	Confident	69 Å²	69	58.8 Å²	58.8	35%	0.354	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.2	-180	-53.3	174.6	0	0	0	108.4	L47 S48 T50 E67 H68	L47-I62 CarbonylContact C-O 3.49Å; L47-I62 WeakPolarHBondContact CA-O 3.49Å; S48-I62 PolarHBondContact N-O 2.93Å; S48-I62 PolarHBondContact O-N 2.96Å; T50-I62 HydrophobicContact CG2-CD1 4.19Å; T50-I62 HydrophobicContact CG2-CG1 4.05Å; I62-E67 VanDerWaalsContact CA-O 3.31Å; I62-E67 WeakPolarHBondContact CA-O 3.44Å; I62-H68 HydrophobicContact CG1-CB 4.18Å
63	N	92.3	Very high	89	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.048	34%	0.335	C	S	.	.			trans	-88.6	-177.7	179.3	72.7	11.9	0	0	0	113.1	L39 E45 L47 R65 G66 E67	L39-N63 HydrophobicContact CD2-CB 4.12Å; E45-N63 WeakPolarHBondContact OE1-CB 3.3Å; L47-N63 HydrophobicContact CD2-CB 3.49Å; L47-N63 VanDerWaalsContact CD2-CB 3.49Å; N63-R65 PolarHBondContact ND2-NH2 3Å; N63-R65 PolarHBondContact O-N 3.31Å; N63-R65 VanDerWaalsContact O-N 3.16Å; N63-R65 WeakPolarHBondContact OD1-CA 3.45Å; N63-R65 WeakPolarHBondContact OD1-CB 3.49Å; N63-R65 PolarHBondContact OD1-N 3.29Å; N63-G66 PolarHBondContact O-N 3.24Å; N63-G66 VanDerWaalsContact O-N 3.13Å; N63-G66 PolarHBondContact OD1-N 3.46Å; N63-E67 PolarHBondContact N-O 2.94Å; N63-E67 PolarHBondContact ND2-OE2 2.95Å; N63-E67 PolarHBondContact OD1-N 3.22Å
64	S	86.7	Confident	89.8	Confident	92 Å²	92	55.9 Å²	55.9	64%	0.643	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.9	-178.6	71.3	0	0	0	0	114	E45	E45-S64 WeakPolarHBondContact OE1-CB 3.47Å; E45-S64 PolarHBondContact OE1-N 3.02Å; E45-S64 PolarHBondContact OE1-OG 3.23Å
65	R	89.4	Confident	90.6	Very high	119 Å²	119	57 Å²	57	45%	0.449	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.6	179.5	-53.1	-176.4	-65.9	-82.3	10.5	112.7	S40 E45 N63 E67	S40-R65 PolarHBondContact O-NH2 3.36Å; E45-R65 VanDerWaalsContact CD-NH1 3.28Å; E45-R65 IonicContact OE1-NH1 3.04Å; E45-R65 PolarHBondContact OE1-NH1 3.48Å; E45-R65 IonicContact OE2-CZ 3.88Å; E45-R65 IonicContact OE2-NH1 2.81Å; E45-R65 PolarHBondContact OE2-NH1 3.43Å; N63-R65 PolarHBondContact ND2-NH2 3Å; N63-R65 PolarHBondContact O-N 3.31Å; N63-R65 VanDerWaalsContact O-N 3.16Å; N63-R65 WeakPolarHBondContact OD1-CA 3.45Å; N63-R65 WeakPolarHBondContact OD1-CB 3.49Å; N63-R65 PolarHBondContact OD1-N 3.29Å; R65-E67 VanDerWaalsContact C-N 3.31Å; R65-E67 HydrophobicContact CB-CG 4.21Å; R65-E67 IonicContact CZ-OE2 3.16Å; R65-E67 VanDerWaalsContact NE-CD 3.3Å; R65-E67 IonicContact NE-OE1 3.17Å; R65-E67 PolarHBondContact NE-OE1 2.95Å; R65-E67 IonicContact NE-OE2 2.91Å; R65-E67 PolarHBondContact NE-OE2 3.2Å; R65-E67 IonicContact NH2-OE2 3.46Å; R65-E67 PolarHBondContact NH2-OE2 2.93Å
66	G	86.9	Confident	91.5	Very high	57 Å²	57	55.7 Å²	55.7	59%	0.588	31%	0.308	S	S	*	.	S	Bend	trans	81.2	7.3	-175.4	0	0	0	0	0	114.2	N63	N63-G66 PolarHBondContact O-N 3.24Å; N63-G66 VanDerWaalsContact O-N 3.13Å; N63-G66 PolarHBondContact OD1-N 3.46Å
67	E	91.2	Very high	92.2	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	30%	0.296	S	S	.	.			trans	-76.2	141.8	174	-58.5	157.7	178.6	0	0	109.2	L39 I62 N63 R65	L39-E67 HydrophobicContact CD1-CB 3.57Å; L39-E67 WeakPolarHBondContact CD1-O 3.31Å; I62-E67 VanDerWaalsContact CA-O 3.31Å; I62-E67 WeakPolarHBondContact CA-O 3.44Å; N63-E67 PolarHBondContact N-O 2.94Å; N63-E67 PolarHBondContact ND2-OE2 2.95Å; N63-E67 PolarHBondContact OD1-N 3.22Å; R65-E67 VanDerWaalsContact C-N 3.31Å; R65-E67 HydrophobicContact CB-CG 4.21Å; R65-E67 IonicContact CZ-OE2 3.16Å; R65-E67 VanDerWaalsContact NE-CD 3.3Å; R65-E67 IonicContact NE-OE1 3.17Å; R65-E67 PolarHBondContact NE-OE1 2.95Å; R65-E67 IonicContact NE-OE2 2.91Å; R65-E67 PolarHBondContact NE-OE2 3.2Å; R65-E67 IonicContact NH2-OE2 3.46Å; R65-E67 PolarHBondContact NH2-OE2 2.93Å
68	H	91.9	Very high	92.3	Very high	100 Å²	100	56.8 Å²	56.8	46%	0.463	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.5	-175.3	174.4	-107.4	0	0	0	110.4	T50 E60 G61 I62	T50-H68 PolarHBondContact OG1-NE2 2.9Å; E60-H68 WeakPolarHBondContact CG-NE2 3.43Å; E60-H68 IonicContact OE1-CE1 3.55Å; E60-H68 PolarHBondContact OE1-CE1 3.29Å; E60-H68 IonicContact OE1-NE2 3.06Å; E60-H68 IonicContact OE2-CE1 3.33Å; E60-H68 IonicContact OE2-NE2 3.34Å; E60-H68 PolarHBondContact OE2-NE2 3.49Å; G61-H68 WeakPolarHBondContact O-CA 3.32Å; G61-H68 PolarHBondContact O-CD2 2.89Å; G61-H68 VanDerWaalsContact O-CD2 3.24Å; I62-H68 HydrophobicContact CG1-CB 4.18Å
69	G	93.5	Very high	91.8	Very high	5 Å²	5	55.2 Å²	55.2	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-168.9	178.6	0	0	0	0	0	113.8	G37 E60 G61	G37-G69 WeakPolarHBondContact O-CA 3.5Å; E60-G69 WeakPolarHBondContact CA-O 3.07Å; E60-G69 WeakPolarHBondContact CG-O 3.47Å; G61-G69 PolarHBondContact N-O 3.17Å; G61-G69 PolarHBondContact O-N 3.02Å
70	L	94.5	Very high	89.9	Confident	44 Å²	44	59.5 Å²	59.5	23%	0.23	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.8	-175.2	-59.7	172.5	0	0	0	113	G37 E38 L39 V54 W58 W59 E60	G37-L70 PolarHBondContact O-N 3.38Å; E38-L70 CarbonylContact C-O 3.55Å; E38-L70 VanDerWaalsContact CA-O 3.26Å; E38-L70 WeakPolarHBondContact CA-O 3.48Å; L39-L70 PolarHBondContact N-O 2.93Å; V54-L70 HydrophobicContact CB-CD2 4.1Å; V54-L70 HydrophobicContact CG1-CD2 3.81Å; V54-L70 HydrophobicContact CG2-CD2 4.23Å; W58-L70 HydrophobicContact CE3-CB 3.95Å; W58-L70 HydrophobicContact CZ3-CB 4.28Å; W59-L70 CarbonylContact O-C 3.59Å; W59-L70 WeakPolarHBondContact O-CA 3.35Å; E60-L70 HydrophobicContact CB-CD2 3.81Å; E60-L70 HydrophobicContact CG-CD2 4.04Å
71	F	94.7	Very high	87.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.6	173.2	54.7	-94.3	0	0	0	111.4	V24 L39 L47 V49 W59 Q73 V76	V24-F71 HydrophobicContact CG2-CE2 4.4Å; V24-F71 HydrophobicContact CG2-CZ 4.37Å; L39-F71 HydrophobicContact CD2-CD1 4.02Å; L39-F71 HydrophobicContact CD2-CE1 4.42Å; L47-F71 HydrophobicContact CB-CE1 4.43Å; L47-F71 HydrophobicContact CB-CZ 4.39Å; L47-F71 HydrophobicContact CD1-CD1 3.71Å; L47-F71 HydrophobicContact CD1-CD2 3.96Å; L47-F71 HydrophobicContact CD1-CE1 3.51Å; L47-F71 HydrophobicContact CD1-CE2 3.8Å; L47-F71 HydrophobicContact CD1-CG 3.91Å; L47-F71 HydrophobicContact CD1-CZ 3.57Å; V49-F71 HydrophobicContact CG2-CZ 4.2Å; W59-F71 HydrophobicContact CB-CD2 4.28Å; W59-F71 HydrophobicContact CB-CE2 3.73Å; W59-F71 HydrophobicContact CB-CZ 4.04Å; W59-F71 HydrophobicContact CE3-CE2 4.29Å; W59-F71 PolarHBondContact N-O 3.31Å; W59-F71 PolarHBondContact O-N 3.35Å; F71-Q73 PolarHBondContact O-N 3.28Å; F71-V76 HydrophobicContact CD2-CG1 3.8Å; F71-V76 HydrophobicContact CD2-CG2 4.41Å; F71-V76 HydrophobicContact CE2-CG1 3.78Å; F71-V76 HydrophobicContact CE2-CG2 3.96Å
72	P	93.6	Very high	84.7	Confident	17 Å²	17	69.1 Å²	69.1	11%	0.11	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.6	179.5	-19.9	32.4	0	0	0	111.8	F30 W58 A74 Y75	F30-P72 HydrophobicContact CD2-CG 3.91Å; F30-P72 HydrophobicContact CE2-CG 3.94Å; F30-P72 HydrophobicContact CG-CG 4.32Å; F30-P72 HydrophobicContact CZ-CG 4.37Å; W58-P72 HydrophobicContact CH2-CG 4.24Å; W58-P72 HydrophobicContact CZ3-CG 4.13Å; P72-A74 PolarHBondContact O-N 3.37Å; P72-Y75 HydrophobicContact CB-CD2 3.68Å; P72-Y75 HydrophobicContact CB-CE2 4.34Å; P72-Y75 HydrophobicContact CB-CG 4.04Å; P72-Y75 HydrophobicContact CG-CD2 4.07Å; P72-Y75 HydrophobicContact CG-CE2 4.45Å; P72-Y75 HydrophobicContact CG-CG 4.17Å; P72-Y75 WeakPolarHBondContact O-CB 3.49Å; P72-Y75 PolarHBondContact O-N 3.01Å
73	Q	92.7	Very high	82	Confident	86 Å²	86	70.7 Å²	70.7	40%	0.402	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-55.4	-36.9	173.9	174.9	179.7	7.1	0	0	111.9	G57 W59 F71 Y75 V76	G57-Q73 WeakPolarHBondContact O-CB 3.42Å; G57-Q73 PolarHBondContact O-N 2.97Å; W59-Q73 HydrophobicContact CD2-CB 4.09Å; W59-Q73 HydrophobicContact CD2-CG 3.94Å; W59-Q73 HydrophobicContact CE3-CG 4.41Å; W59-Q73 HydrophobicContact CG-CB 4.13Å; W59-Q73 HydrophobicContact CG-CG 4.44Å; W59-Q73 HydrophobicContact CH2-CG 4.14Å; W59-Q73 HydrophobicContact CZ2-CG 3.66Å; W59-Q73 VanDerWaalsContact CZ2-NE2 3.34Å; W59-Q73 HydrophobicContact CZ3-CG 4.48Å; F71-Q73 PolarHBondContact O-N 3.28Å; Q73-Y75 PolarHBondContact O-N 3.46Å; Q73-V76 WeakPolarHBondContact O-CG2 3.27Å; Q73-V76 PolarHBondContact O-N 2.92Å
74	A	91.9	Very high	79.5	Confident	79 Å²	79	75.3 Å²	75.3	65%	0.653	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-70.7	-9.6	179.9	0	0	0	0	0	114	P72	P72-A74 PolarHBondContact O-N 3.37Å
75	Y	94.9	Very high	77.3	Confident	87 Å²	87	77 Å²	77	34%	0.341	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-96.4	3.1	179.7	-81.1	-131.4	0	0	0	112.2	L27 Y28 D29 F30 P72 Q73	L27-Y75 PolarHBondContact N-O 3.21Å; Y28-Y75 HydrophobicContact CD2-CD1 4.41Å; Y28-Y75 HydrophobicContact CD2-CG 4.3Å; D29-Y75 WeakPolarHBondContact O-CE1 3.38Å; F30-Y75 HydrophobicContact CB-CD1 3.79Å; F30-Y75 HydrophobicContact CB-CE1 3.99Å; F30-Y75 HydrophobicContact CD2-CE1 4.43Å; P72-Y75 HydrophobicContact CB-CD2 3.68Å; P72-Y75 HydrophobicContact CB-CE2 4.34Å; P72-Y75 HydrophobicContact CB-CG 4.04Å; P72-Y75 HydrophobicContact CG-CD2 4.07Å; P72-Y75 HydrophobicContact CG-CE2 4.45Å; P72-Y75 HydrophobicContact CG-CG 4.17Å; P72-Y75 WeakPolarHBondContact O-CB 3.49Å; P72-Y75 PolarHBondContact O-N 3.01Å; Q73-Y75 PolarHBondContact O-N 3.46Å
76	V	94.4	Very high	75.1	Confident	14 Å²	14	77.4 Å²	77.4	9%	0.085	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.3	-177.8	-60.6	0	0	0	0	113.2	V24 Q25 V26 L47 W59 F71 Q73	V24-V76 HydrophobicContact CB-CB 4Å; V24-V76 HydrophobicContact CB-CG2 4.24Å; V24-V76 HydrophobicContact CG1-CG2 4.44Å; V24-V76 HydrophobicContact CG2-CB 3.93Å; V24-V76 HydrophobicContact CG2-CG1 4Å; V24-V76 HydrophobicContact CG2-CG2 4.19Å; Q25-V76 CarbonylContact O-C 3.6Å; Q25-V76 VanDerWaalsContact O-CA 3.27Å; Q25-V76 WeakPolarHBondContact O-CA 3.33Å; V26-V76 HydrophobicContact CG2-CG1 4.13Å; L47-V76 HydrophobicContact CD1-CG1 4.08Å; W59-V76 HydrophobicContact CE3-CG2 3.74Å; W59-V76 HydrophobicContact CZ3-CG2 3.77Å; F71-V76 HydrophobicContact CD2-CG1 3.8Å; F71-V76 HydrophobicContact CD2-CG2 4.41Å; F71-V76 HydrophobicContact CE2-CG1 3.78Å; F71-V76 HydrophobicContact CE2-CG2 3.96Å; Q73-V76 WeakPolarHBondContact O-CG2 3.27Å; Q73-V76 PolarHBondContact O-N 2.92Å
77	Q	92.6	Very high	73.4	Confident	121 Å²	121	79.6 Å²	79.6	57%	0.565	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.5	171.5	-178.8	172.8	0.5	0	0	110.1	V24 Q25 L27 V79	V24-Q77 CarbonylContact C-O 3.52Å; V24-Q77 WeakPolarHBondContact CA-O 3.29Å; V24-Q77 WeakPolarHBondContact CB-O 3.22Å; Q25-Q77 PolarHBondContact N-O 2.84Å; Q25-Q77 PolarHBondContact O-N 3.4Å; L27-Q77 HydrophobicContact CD1-CB 4.24Å; L27-Q77 HydrophobicContact CD2-CB 4.02Å; L27-Q77 HydrophobicContact CG-CB 4.29Å; Q77-V79 PolarHBondContact O-N 3.24Å
78	I	89.3	Confident	71.4	Confident	90 Å²	90	81 Å²	81	46%	0.462	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.2	174.1	-61.7	174.6	0	0	0	109.8	I22 V24 W59 S80	I22-I78 HydrophobicContact CG2-CD1 4.45Å; I22-I78 HydrophobicContact CG2-CG1 4.22Å; I22-I78 HydrophobicContact CG2-CG2 3.9Å; V24-I78 HydrophobicContact CG1-CG1 4.13Å; W59-I78 HydrophobicContact CH2-CD1 4.07Å; W59-I78 HydrophobicContact CH2-CG1 4.11Å; W59-I78 HydrophobicContact CZ3-CG1 4.28Å; I78-S80 PolarHBondContact O-N 3.46Å
79	V	83	Confident	69.5	Low	51 Å²	51	81.7 Å²	81.7	31%	0.309	51%	0.505	S	S	.	.			trans	-87.8	102.9	177.6	-179.1	0	0	0	0	107.7	Q23 Q25 Y46 Q77 S81	Q23-V79 HydrophobicContact CB-CB 4.44Å; Q23-V79 PolarHBondContact O-N 3.19Å; Q25-V79 HydrophobicContact CB-CG2 3.73Å; Y46-V79 HydrophobicContact CD1-CG2 4.01Å; Y46-V79 HydrophobicContact CE1-CG1 4.38Å; Y46-V79 HydrophobicContact CE1-CG2 3.76Å; Q77-V79 PolarHBondContact O-N 3.24Å; V79-S81 PolarHBondContact O-N 2.88Å; V79-S81 VanDerWaalsContact O-N 3.17Å
80	S	53.5	Low	67.8	Low	107 Å²	107	87.4 Å²	87.4	75%	0.748	54%	0.541	S	S	*	.			trans	-68.7	111.9	174	44.4	0	0	0	0	109.9	I78 S82	I78-S80 PolarHBondContact O-N 3.46Å; S80-S82 PolarHBondContact O-N 3.36Å
81	S	46	Very low	65.5	Low	117 Å²	117	93 Å²	93	82%	0.818	57%	0.57	S	S	*	*			trans	-72.6	68.4	176.8	47.2	0	0	0	0	111.9	V79	V79-S81 PolarHBondContact O-N 2.88Å; V79-S81 VanDerWaalsContact O-N 3.17Å
82	S	32.9	Very low	63.4	Low	101 Å²	101	98.8 Å²	98.8	71%	0.706	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-59.9	126.4	152.9	-178.2	0	0	0	0	107.4	S80	S80-S82 PolarHBondContact O-N 3.36Å
83	P	36.8	Very low	60.9	Low	101 Å²	101	105.2 Å²	105.2	66%	0.656	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-59.3	143.5	166	27	-32.9	0	0	0	108.7
84	P	39.6	Very low	58.8	Low	106 Å²	106	104.3 Å²	104.3	69%	0.688	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-63.2	145.4	174.9	26.8	-33.9	0	0	0	109.8	V86	P84-V86 PolarHBondContact O-N 2.79Å
85	P	41.3	Very low	56.3	Low	127 Å²	127	111.7 Å²	111.7	83%	0.825	67%	0.674	S	S	*	*			trans	-65	107.3	176.1	27	-33.2	0	0	0	109.2
86	V	42.8	Very low	53.8	Low	129 Å²	129	113 Å²	113	78%	0.782	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-63.9	122.8	176.6	-172.2	0	0	0	0	107.9	P84	P84-V86 PolarHBondContact O-N 2.79Å
87	P	50.9	Low	51.1	Low	103 Å²	103	120.2 Å²	120.2	67%	0.669	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-62.4	141.3	175.3	26.5	-33.6	0	0	0	109.4
88	P	48.5	Very low	48.7	Very low	116 Å²	116	119 Å²	119	75%	0.753	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61	147	-179.1	25.6	-34.2	0	0	0	110.9
89	P	53.3	Low	46.5	Very low	115 Å²	115	118.9 Å²	118.9	75%	0.747	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-56.5	145.6	176.6	-24.3	34	0	0	0	111.9	L91	P89-L91 PolarHBondContact O-N 2.63Å
90	P	56.4	Low	44.6	Very low	125 Å²	125	124.8 Å²	124.8	81%	0.812	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.9	136.9	175.4	26.2	-34.1	0	0	0	110.7
91	L	47.7	Very low	43.9	Very low	161 Å²	161	124.9 Å²	124.9	84%	0.843	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.7	143.9	176.5	-78.4	164	0	0	0	111	P89 T93	P89-L91 PolarHBondContact O-N 2.63Å; L91-T93 PolarHBondContact O-N 3.09Å
92	P	49.2	Very low	43.8	Very low	122 Å²	122	127.5 Å²	127.5	79%	0.792	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.5	129.8	176.7	-25.5	34.9	0	0	0	112.5	G94	P92-G94 PolarHBondContact O-N 3.27Å
93	T	41.9	Very low	44.1	Very low	151 Å²	151	127.2 Å²	127.2	93%	0.926	78%	0.783	S	S	*	*	S	Bend	trans	-69.7	99.3	175.5	50	0	0	0	0	110.3	L91	L91-T93 PolarHBondContact O-N 3.09Å
94	G	47.4	Very low	44.3	Very low	68 Å²	68	129.2 Å²	129.2	70%	0.701	79%	0.793	S	S	*	*			trans	-166.8	0.8	-177.4	0	0	0	0	0	118.1	P92	P92-G94 PolarHBondContact O-N 3.27Å
95	Y	41.2	Very low	44.3	Very low	234 Å²	234	129.7 Å²	129.7	92%	0.918	80%	0.796	S	S	*	*			trans	-123.6	112.9	175.7	-108.3	-98.2	0	0	0	110.6
96	S	41.6	Very low	44.1	Very low	115 Å²	115	129 Å²	129	80%	0.804	79%	0.794	S	S	*	*			trans	-145.5	136.9	173.9	-65.1	0	0	0	0	110.2
97	D	38.1	Very low	43.9	Very low	165 Å²	165	129.3 Å²	129.3	88%	0.882	80%	0.796	S	S	*	*			trans	47.4	113.2	169.9	-90.8	-53.6	0	0	0	121.1
98	A	40.9	Very low	43.5	Very low	95 Å²	95	128.2 Å²	128.2	79%	0.785	80%	0.796	S	S	*	*			trans	-145.5	71.1	154.4	0	0	0	0	0	111.8
99	S	43.8	Very low	43.1	Very low	88 Å²	88	133.4 Å²	133.4	62%	0.615	80%	0.801	S	S	*	*			trans	65	117.6	145.7	57.9	0	0	0	0	123
100	Q	42.6	Very low	42.5	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	80%	0.804	S	S	*	*				80.9	86.7	123	-64.1	171.5	22.2	0	0	122.2
101	S	39.5	Very low	41.6	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	80%	0.801	S	S	*	*				30.9	119.7	117.5	62.3	0	0	0	0	122.3
102	I	43.8	Very low	41.2	Very low	172 Å²	172	134.9 Å²	134.9	88%	0.882	80%	0.795	S	S	*	*			trans	-137.2	142.1	140.5	-62.1	-176.9	0	0	0	107.9
103	A	37.9	Very low	40.5	Very low	95 Å²	95	135.4 Å²	135.4	79%	0.785	80%	0.796	S	S	*	*			trans	-149.2	134.1	-179.3	0	0	0	0	0	113.7
104	V	42	Very low	40.4	Very low	143 Å²	143	135 Å²	135	87%	0.867	79%	0.793	S	S	*	*			trans	-150.3	144.1	167.6	-152.3	0	0	0	0	109.4
105	P	38.8	Very low	40	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	79%	0.788	S	S	*	*			trans	-124.1	160.4	-159.9	41.6	-29.7	0	0	0	118.7
106	S	37.2	Very low	39.9	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	79%	0.79	S	S	*	*			trans	50.3	129.1	142.4	-166.7	0	0	0	0	122.7
107	T	39	Very low	39.7	Very low	136 Å²	136	132.3 Å²	132.3	83%	0.834	79%	0.791	S	S	*	*			trans	-160.6	100.2	142.3	-74.1	0	0	0	0	114
108	A	42.1	Very low	39.8	Very low	81 Å²	81	130.1 Å²	130.1	67%	0.669	79%	0.789	S	S	*	*			trans	44.2	155.9	132.6	0	0	0	0	0	126.8
109	R	41	Very low	39.6	Very low	225 Å²	225	130.8 Å²	130.8	85%	0.849	79%	0.788	S	S	*	*			trans	102.4	114.1	156.2	-58.9	-176.4	-174.1	-162.5	1.8	116.4
110	K	40.5	Very low	39.5	Very low	186 Å²	186	133.6 Å²	133.6	81%	0.809	80%	0.801	S	S	*	*				71.5	140.7	93	-71.8	-165.8	170.4	-168.7	0	113.1
111	L	38	Very low	39.3	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	81%	0.805	S	S	*	*			cis	-155.3	-175.1	-0.1	-144.6	69.3	0	0	0	106.5
112	S	39.3	Very low	39.3	Very low	103 Å²	103	132 Å²	132	72%	0.72	81%	0.809	S	S	*	*			cis	-159.9	-175.9	9.1	-8.2	0	0	0	0	110.5
113	T	33.7	Very low	39.1	Very low	134 Å²	134	130.8 Å²	130.8	82%	0.822	80%	0.804	S	S	*	*			trans	-130.7	133.7	178.6	-54.9	0	0	0	0	113.4
114	V	40.9	Very low	39.2	Very low	143 Å²	143	130.9 Å²	130.9	87%	0.867	80%	0.799	S	S	*	*			trans	-151.3	138.5	155.9	-171.1	0	0	0	0	106
115	G	37.4	Very low	39.2	Very low	56 Å²	56	130 Å²	130	58%	0.577	80%	0.8	S	S	*	*			cis	132	114.8	-3.6	0	0	0	0	0	111.9
116	L	40	Very low	39.2	Very low	185 Å²	185	129.1 Å²	129.1	97%	0.969	80%	0.802	S	S	*	*			trans	-163.5	151.9	160.9	-136	75.6	0	0	0	110.6
117	S	36.6	Very low	40	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	80%	0.804	S	S	*	*			trans	-154.2	151.6	-177.2	55.4	0	0	0	0	112.6
118	S	40.3	Very low	40.2	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	80%	0.802	S	S	*	*			trans	-159.9	162.2	161.9	57.4	0	0	0	0	110.1
119	S	37.5	Very low	39.9	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	81%	0.814	S	S	*	*			trans	-152.3	152.3	-168.7	-46.4	0	0	0	0	111.5
120	T	41.6	Very low	39.9	Very low	146 Å²	146	133 Å²	133	90%	0.896	82%	0.815	S	S	*	*			trans	-160.1	159.2	157.2	11.3	0	0	0	0	112.1
121	N	37.8	Very low	39.6	Very low	168 Å²	168	129.1 Å²	129.1	90%	0.898	82%	0.818	S	S	*	*			trans	-100.2	162.4	-170.9	-61.7	-34.9	0	0	0	113.3
122	G	39.2	Very low	39.6	Very low	82 Å²	82	127.5 Å²	127.5	85%	0.845	83%	0.825	S	S	*	*			trans	-160	50.7	-174.9	0	0	0	0	0	117.5
123	N	41.5	Very low	39.5	Very low	147 Å²	147	127.9 Å²	127.9	79%	0.786	83%	0.834	S	S	*	*			trans	-1.3	132.4	160.6	-89.2	11.8	0	0	0	122.9
124	S	40.1	Very low	39.5	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	83%	0.834	S	S	*	*				93.1	132.7	120.6	-66	0	0	0	0	124.5
125	S	41.8	Very low	39.2	Very low	125 Å²	125	122.7 Å²	122.7	87%	0.874	84%	0.837	S	S	*	*			trans	80.7	138	139.7	67.7	0	0	0	0	121.3
126	A	38	Very low	39	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	85%	0.848	S	S	*	*			trans	-135.9	152.7	169.2	0	0	0	0	0	109.5
127	P	53.5	Low	38.6	Very low	125 Å²	125	119.1 Å²	119.1	81%	0.812	85%	0.845	S	S	*	*			trans	-102.2	159.7	171	36.2	-29.5	0	0	0	113.2
128	P	43.6	Very low	38.3	Very low	122 Å²	122	117.4 Å²	117.4	79%	0.792	85%	0.846	S	S	*	*			trans	-99	176.4	-168	39.4	-37.6	0	0	0	115.3
129	R	35.6	Very low	38	Very low	245 Å²	245	117.1 Å²	117.1	93%	0.925	84%	0.844	S	S	*	*			trans	-74.8	145.4	167.8	-63	178.5	173.6	-151.1	-1.8	112
130	T	41.2	Very low	37.8	Very low	142 Å²	142	116.8 Å²	116.8	87%	0.871	84%	0.841	S	S	*	*			trans	-139	154.8	157.2	45.4	0	0	0	0	110
131	A	34.5	Very low	37.3	Very low	105 Å²	105	120.6 Å²	120.6	87%	0.868	84%	0.84	S	S	*	*			trans	-138.7	143.3	177.6	0	0	0	0	0	110.1
132	A	37.7	Very low	37.3	Very low	108 Å²	108	118 Å²	118	89%	0.893	83%	0.831	S	S	*	*			trans	-160.6	148.6	164.5	0	0	0	0	0	110.8
133	A	36.4	Very low	37	Very low	111 Å²	111	121.3 Å²	121.3	92%	0.917	83%	0.829	S	S	*	*			trans	-84.3	169.5	-177.4	0	0	0	0	0	113.6
134	G	35.1	Very low	36.7	Very low	80 Å²	80	119 Å²	119	83%	0.825	82%	0.824	S	S	*	*			trans	171.1	59.4	166.1	0	0	0	0	0	119.8
135	G	33.6	Very low	36.4	Very low	89 Å²	89	121.5 Å²	121.5	92%	0.918	83%	0.825	S	S	*	*			trans	69.3	171	165	0	0	0	0	0	116.8
136	G	32.8	Very low	36	Very low	79 Å²	79	125 Å²	125	81%	0.814	83%	0.825	S	S	*	*			cis	161.6	139.8	-6.8	0	0	0	0	0	112.3
137	G	32.2	Very low	36.1	Very low	87 Å²	87	128.7 Å²	128.7	90%	0.897	83%	0.831	S	S	*	*			trans	87.6	129.7	-179	0	0	0	0	0	113.2
138	G	30.6	Very low	35.4	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	83%	0.828	S	S	*	*			trans	-120.1	165.1	-177.2	0	0	0	0	0	113.2
139	S	32.7	Very low	35.2	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	83%	0.833	S	S	*	*			trans	-148.5	152.5	161.3	-168.6	0	0	0	0	109.6
140	S	33.7	Very low	35.7	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	82%	0.821	S	S	*	*			trans	-75.8	120.3	-174.1	52.6	0	0	0	0	112.5	V142	S140-V142 PolarHBondContact O-N 2.63Å
141	Y	32.2	Very low	35.8	Very low	226 Å²	226	129.9 Å²	129.9	89%	0.886	82%	0.823	S	S	*	*			trans	-89	98.3	168.2	-98.5	-88.3	0	0	0	111.3	N143	Y141-N143 PolarHBondContact O-N 3.26Å
142	V	37.7	Very low	36.1	Very low	114 Å²	114	130.1 Å²	130.1	69%	0.691	81%	0.809	S	S	*	*			trans	-77.9	102.7	162.2	-177	0	0	0	0	107.3	S140 S144	S140-V142 PolarHBondContact O-N 2.63Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.99Å
143	N	32.9	Very low	36.5	Very low	151 Å²	151	133.7 Å²	133.7	81%	0.807	80%	0.8	S	S	*	*			trans	-80.8	75.1	-175.8	-167.4	19.8	0	0	0	111.9	Y141	Y141-N143 PolarHBondContact O-N 3.26Å
144	S	34.3	Very low	36.6	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	78%	0.782	S	S	*	*			trans	-141.8	47.3	179.9	69	0	0	0	0	112.6	V142	V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.99Å
145	Q	33.1	Very low	37.1	Very low	150 Å²	150	130.5 Å²	130.5	70%	0.701	75%	0.754	S	S	*	*			trans	-149.9	81.8	177.4	-164.1	169.7	27.4	0	0	112.6
146	F	35.5	Very low	37.1	Very low	199 Å²	199	133.3 Å²	133.3	87%	0.873	75%	0.748	S	S	*	*			trans	-145.9	23.3	168.7	-118.2	-74.5	0	0	0	114.4
147	D	38.1	Very low	37.3	Very low	173 Å²	173	133.3 Å²	133.3	93%	0.925	74%	0.736	S	S	*	*	S	Bend	trans	-120.1	31.6	-177.4	-79.8	-57.8	0	0	0	113.2
148	E	40.6	Very low	37.6	Very low	157 Å²	157	135.5 Å²	135.5	73%	0.734	72%	0.723	S	S	*	*	S	Bend	trans	-142.3	24.5	-172.4	-146.9	169.3	-155.2	0	0	115.8
149	F	39.6	Very low	37.6	Very low	209 Å²	209	137.1 Å²	137.1	92%	0.917	72%	0.721	S	S	*	*			trans	-146.8	90.3	-178.8	-103.7	-92.9	0	0	0	113.7
150	D	46	Very low	37.6	Very low	125 Å²	125	140.2 Å²	140.2	67%	0.668	72%	0.723	S	S	*	*			trans	-174.3	36.5	149.7	-131.6	12.9	0	0	0	113.1	K364	D150-K364 IonicContact OD2-NZ 3.6Å
151	D	42.4	Very low	37.5	Very low	168 Å²	168	140.9 Å²	140.9	90%	0.898	73%	0.726	S	S	*	*	S	Bend	trans	-100.3	33.9	-175.2	-149.6	21	0	0	0	114.7
152	D	41.7	Very low	37.5	Very low	110 Å²	110	138 Å²	138	59%	0.588	73%	0.726	S	S	*	*			trans	-147.9	-173.3	167.3	-157.9	-8.5	0	0	0	109.9
153	W	46.1	Very low	37.3	Very low	184 Å²	184	136.7 Å²	136.7	70%	0.697	73%	0.727	S	S	*	*			trans	78.1	92.3	169	-43.2	115.6	0	0	0	117.5	K359	W153-K359 PolarHBondContact O-NZ 3.18Å
154	S	36.7	Very low	37.5	Very low	78 Å²	78	134.7 Å²	134.7	55%	0.545	72%	0.722	S	S	.	*			trans	31.2	136.6	135.4	-47.1	0	0	0	0	120.6	K359	S154-K359 WeakPolarHBondContact O-CE 3.27Å; S154-K359 PolarHBondContact O-NZ 3.4Å
155	D	46.5	Very low	37.2	Very low	45 Å²	45	138.5 Å²	138.5	24%	0.241	73%	0.734	C	S	.	*			trans	-149.3	56.5	170	-153.5	16.8	0	0	0	112.8	S157 K359	D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 PolarHBondContact O-N 2.88Å; D155-K359 HydrophobicContact CB-CD 4.21Å; D155-K359 VanDerWaalsContact CG-CD 3.43Å; D155-K359 VanDerWaalsContact CG-CE 3.42Å; D155-K359 WeakPolarHBondContact OD1-CB 3.47Å; D155-K359 WeakPolarHBondContact OD1-CD 3.29Å; D155-K359 WeakPolarHBondContact OD1-CE 3.21Å; D155-K359 WeakPolarHBondContact OD1-CG 3.47Å; D155-K359 VanDerWaalsContact OD2-CD 3.28Å; D155-K359 WeakPolarHBondContact OD2-CD 3.21Å
156	D	33.9	Very low	37.3	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	74%	0.742	S	S	*	*			trans	-66.9	77.6	179.4	-60.8	-80.4	0	0	0	113.4
157	S	36.6	Very low	37.1	Very low	80 Å²	80	141.4 Å²	141.4	56%	0.559	74%	0.738	S	S	*	*			trans	-176.8	80.4	150.7	57.1	0	0	0	0	114.7	D155	D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 PolarHBondContact O-N 2.88Å
158	Q	37.8	Very low	36.6	Very low	133 Å²	133	140.5 Å²	140.5	62%	0.621	73%	0.728	S	S	*	*			trans	-132.3	61.2	155.5	-73	-155.2	-10.5	0	0	112.1
159	S	31.1	Very low	36.1	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	73%	0.732	S	S	*	*			trans	-119.7	55	177.3	-56.6	0	0	0	0	111.6
160	Q	32	Very low	35.5	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	73%	0.728	S	S	*	*			trans	-158.3	53.7	175.4	-125.8	155.8	102.8	0	0	115.2
161	C	32.7	Very low	34.7	Very low	115 Å²	115	140.9 Å²	140.9	78%	0.777	73%	0.731	S	S	*	*			trans	-118.3	61.8	159	-64.1	0	0	0	0	109.7
162	L	33	Very low	33.9	Very low	166 Å²	166	140 Å²	140	87%	0.869	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-69.9	127.9	166.6	-70.2	174.8	0	0	0	108.4
163	A	32.7	Very low	33.4	Very low	87 Å²	87	143.3 Å²	143.3	72%	0.719	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-67.9	136.2	-174.7	0	0	0	0	0	111.8	L165	A163-L165 PolarHBondContact O-N 2.8Å
164	P	36.1	Very low	32.9	Very low	108 Å²	108	140.1 Å²	140.1	70%	0.701	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-68.3	118.7	162.9	28.2	-30.2	0	0	0	108.8	F166	P164-F166 PolarHBondContact O-N 2.91Å
165	L	29.5	Very low	32.6	Very low	179 Å²	179	142.2 Å²	142.2	94%	0.937	75%	0.747	S	S	*	*			trans	-66.4	88.8	174.5	-81.1	164.8	0	0	0	110.6	A163	A163-L165 PolarHBondContact O-N 2.8Å
166	F	35	Very low	32	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.873	77%	0.772	S	S	*	*			trans	-89	118.2	167.3	-104.5	-83.6	0	0	0	111.2	P164	P164-F166 PolarHBondContact O-N 2.91Å
167	R	30.2	Very low	32	Very low	211 Å²	211	148.5 Å²	148.5	80%	0.796	77%	0.774	S	S	*	*			trans	-106.6	133.9	-177.8	-174.3	-168.9	-170.1	171.4	4.2	108.8
168	Q	28.3	Very low	32	Very low	155 Å²	155	151 Å²	151	72%	0.724	79%	0.786	S	S	*	*			trans	66.6	148.8	174.8	-74.9	157	-83.3	0	0	114.3
169	Q	30	Very low	31.8	Very low	171 Å²	171	155.2 Å²	155.2	80%	0.799	80%	0.796	S	S	*	*			cis	-118.3	141.7	3.5	-100.8	158.5	-3.7	0	0	111.7
170	Q	26.9	Very low	31.8	Very low	178 Å²	178	161 Å²	161	83%	0.832	80%	0.8	S	S	*	*			trans	-83.8	128.1	158.2	-73.8	174.1	-42.3	0	0	108.9
171	M	28.6	Very low	31.9	Very low	150 Å²	150	163.1 Å²	163.1	74%	0.739	80%	0.801	S	S	*	*			trans	-127	88	162.7	-84.2	-76.5	-84.9	0	0	107.7	F173	M171-F173 HydrophobicContact CE-CE2 4.21Å; M171-F173 PolarHBondContact O-N 3.15Å
172	L	27.2	Very low	32	Very low	148 Å²	148	162.6 Å²	162.6	78%	0.775	80%	0.799	S	S	*	*			trans	-70.9	115.7	174.3	-73	163.6	0	0	0	109.2
173	F	30.9	Very low	32.2	Very low	181 Å²	181	159.5 Å²	159.5	79%	0.794	79%	0.791	S	S	*	*			trans	-102.5	88.4	167.4	-105	-87.9	0	0	0	110.2	M171	M171-F173 HydrophobicContact CE-CE2 4.21Å; M171-F173 PolarHBondContact O-N 3.15Å
174	V	34.4	Very low	32.5	Very low	116 Å²	116	161.2 Å²	161.2	70%	0.703	80%	0.797	S	S	*	*			trans	-97.8	116	162.1	177.9	0	0	0	0	107	D176	V174-D176 PolarHBondContact O-N 2.83Å
175	P	32.1	Very low	32.6	Very low	123 Å²	123	159.4 Å²	159.4	80%	0.799	80%	0.798	S	S	*	*			trans	-84.4	99.2	-179.4	32.1	-31.6	0	0	0	110.2
176	D	33.7	Very low	33.1	Very low	143 Å²	143	159.9 Å²	159.9	77%	0.765	79%	0.793	S	S	*	*			trans	-123.3	133.3	169.8	-139.3	-26.8	0	0	0	111.1	V174	V174-D176 PolarHBondContact O-N 2.83Å
177	H	33.7	Very low	33.3	Very low	181 Å²	181	158.8 Å²	158.8	84%	0.838	79%	0.79	S	S	*	*			trans	-153	99.4	-167.7	-120.2	37.6	0	0	0	111.5
178	V	35.2	Very low	33.7	Very low	133 Å²	133	152.5 Å²	152.5	81%	0.806	79%	0.791	S	S	*	*			trans	-163.1	137.8	147.8	125.6	0	0	0	0	113.2
179	R	33.9	Very low	34	Very low	222 Å²	222	151.1 Å²	151.1	84%	0.838	80%	0.798	S	S	*	*			trans	59.4	105.9	162.9	-74.2	173.1	177.3	-167	-1.3	120.8
180	R	31.3	Very low	34.5	Very low	235 Å²	235	146.5 Å²	146.5	89%	0.887	80%	0.797	S	S	*	*				30.2	138.8	109.2	-58.1	176.7	174.1	-177.5	-1.7	116.7
181	R	34.1	Very low	34.9	Very low	224 Å²	224	145.9 Å²	145.9	85%	0.845	80%	0.799	S	S	*	*				-176.7	148.1	50.5	-156.3	-175.4	-164.7	-179.4	2.3	112
182	S	35.6	Very low	35.3	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	80%	0.804	S	S	*	*			trans	61.5	149.8	156	34	0	0	0	0	119.8
183	S	37.8	Very low	35.7	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	80%	0.804	S	S	*	*			cis	-170.6	153.8	-10.5	45.5	0	0	0	0	114.5
184	S	39.3	Very low	36.2	Very low	123 Å²	123	141.4 Å²	141.4	86%	0.86	81%	0.806	S	S	*	*			trans	76.2	141.1	143.6	66.4	0	0	0	0	123.4
185	G	36.8	Very low	36.2	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	81%	0.807	S	S	*	*			trans	121	96.6	173.1	0	0	0	0	0	112.3
186	K	40.2	Very low	36.6	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	81%	0.813	S	S	*	*				56.5	136.6	80.3	-70.3	-168.1	164.4	-179.3	0	114.1
187	H	39.9	Very low	36.5	Very low	176 Å²	176	147 Å²	147	82%	0.815	82%	0.817	S	S	*	*			cis	-167.3	152	-14.1	-111.3	-39.7	0	0	0	107.4
188	G	37.9	Very low	36.7	Very low	79 Å²	79	143.7 Å²	143.7	81%	0.814	81%	0.814	S	S	*	*			trans	169.7	134.3	169.8	0	0	0	0	0	111.9
189	S	35.4	Very low	36.7	Very low	125 Å²	125	142.7 Å²	142.7	87%	0.874	81%	0.813	S	S	*	*			trans	-135	149.2	-174.9	-172.9	0	0	0	0	111.6
190	G	39.3	Very low	36.6	Very low	75 Å²	75	136.9 Å²	136.9	77%	0.773	81%	0.806	S	S	*	*			trans	-172.2	113.3	176.8	0	0	0	0	0	111.5
191	N	35.1	Very low	36.8	Very low	165 Å²	165	133.9 Å²	133.9	88%	0.882	80%	0.802	S	S	*	*			trans	-84.9	153.8	-176	-78.8	-19.2	0	0	0	113.3
192	G	38.3	Very low	36.7	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	80%	0.796	S	S	*	*			trans	-174.2	101.4	166.7	0	0	0	0	0	112.5
193	S	35.7	Very low	36.6	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	80%	0.804	S	S	*	*			trans	-98.3	145.3	-169.1	-47.8	0	0	0	0	114.6
194	K	40.2	Very low	36.5	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	81%	0.811	S	S	*	*			trans	173.5	100.2	140.9	-95.9	163.8	-175.1	-173.9	0	109.5
195	T	34.5	Very low	36.1	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	80%	0.804	S	S	*	*				64.9	103.9	86.6	61.7	0	0	0	0	115.9
196	H	40.1	Very low	35.9	Very low	198 Å²	198	138.2 Å²	138.2	92%	0.917	81%	0.809	S	S	*	*			trans	-161.2	150.5	131.1	-118.2	-79.5	0	0	0	110.5
197	E	33	Very low	35.4	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	81%	0.808	S	S	*	*			trans	-114.4	144.5	-171.6	-65.9	166.3	85.6	0	0	113.6
198	S	37	Very low	35.1	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	81%	0.811	S	S	*	*			trans	172.1	110.3	142.9	50.1	0	0	0	0	107.6
199	S	35.4	Very low	34.9	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	81%	0.813	S	S	*	*				61.2	124.7	79.3	-171.2	0	0	0	0	113.5
200	S	31.5	Very low	34.6	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	81%	0.806	S	S	*	*			cis	144	103.1	-22.6	63.4	0	0	0	0	110.5
201	H	35.1	Very low	34.2	Very low	173 Å²	173	147.7 Å²	147.7	80%	0.801	81%	0.812	S	S	*	*			trans	-162.1	110.6	150.9	-103.6	-80.5	0	0	0	105.5
202	E	33.9	Very low	34	Very low	154 Å²	154	144.1 Å²	144.1	72%	0.72	80%	0.8	S	S	*	*				86.4	107.9	73.7	-170.3	174.1	-142.6	0	0	112.2
203	Q	32.7	Very low	33.6	Very low	192 Å²	192	145 Å²	145	90%	0.897	79%	0.793	S	S	*	*			trans	-108.7	125.5	173.5	-75.2	-175	-17.2	0	0	110.2	G205	Q203-G205 PolarHBondContact O-N 3.33Å
204	L	34.8	Very low	33.4	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	80%	0.801	S	S	*	*			trans	-79.3	101.8	174.7	-76.6	167.3	0	0	0	111.3
205	G	30.7	Very low	33.1	Very low	69 Å²	69	145.1 Å²	145.1	71%	0.711	80%	0.798	S	S	*	*			trans	-80.1	112.6	172.8	0	0	0	0	0	112.6	Q203 T207	Q203-G205 PolarHBondContact O-N 3.33Å; G205-T207 PolarHBondContact O-N 3.06Å
206	V	33	Very low	32.8	Very low	136 Å²	136	145.1 Å²	145.1	82%	0.824	80%	0.803	S	S	*	*			trans	-90.3	99.6	174.2	179.3	0	0	0	0	110.7	R208	V206-R208 PolarHBondContact O-N 3.03Å; V206-R208 VanDerWaalsContact O-N 3.07Å
207	T	30.2	Very low	32.6	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	79%	0.794	S	S	*	*			trans	-73.7	94.2	-177.7	-44.6	0	0	0	0	112.4	G205 R209	G205-T207 PolarHBondContact O-N 3.06Å; T207-R209 PolarHBondContact O-N 3.22Å
208	R	33.9	Very low	32.7	Very low	235 Å²	235	139.2 Å²	139.2	89%	0.887	79%	0.791	S	S	*	*			trans	-76.5	112.9	168.6	-120.7	-176.8	-174.9	-164.2	1.4	110.1	V206	V206-R208 PolarHBondContact O-N 3.03Å; V206-R208 VanDerWaalsContact O-N 3.07Å
209	R	32.3	Very low	32.5	Very low	228 Å²	228	141.1 Å²	141.1	86%	0.86	79%	0.791	S	S	*	*			trans	-64.6	133.2	174	-72.8	-177.5	174.6	176.9	-1.7	110.4	T207	T207-R209 PolarHBondContact O-N 3.22Å
210	S	29.8	Very low	32.4	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	79%	0.791	S	S	*	*			trans	-68.4	148.7	163.4	-171.2	0	0	0	0	110.1
211	V	31	Very low	32.4	Very low	146 Å²	146	141.8 Å²	141.8	89%	0.885	78%	0.784	S	S	*	*			trans	-129.6	115.4	165.9	-166	0	0	0	0	106.6
212	S	30.1	Very low	32.5	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	78%	0.783	S	S	*	*			trans	-136.8	149.3	-174.5	56.6	0	0	0	0	111
213	S	31.3	Very low	32.3	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	78%	0.783	S	S	*	*			trans	51.9	103.2	161.9	60.3	0	0	0	0	118.4
214	L	31.4	Very low	32.1	Very low	178 Å²	178	140.8 Å²	140.8	93%	0.932	78%	0.78	S	S	*	*			trans	-134.5	140.2	131.5	-78.9	-179.2	0	0	0	108.4
215	T	33	Very low	32	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	77%	0.772	S	S	*	*			trans	-148.2	127.4	-176.2	49	0	0	0	0	111.5
216	S	29.7	Very low	32	Very low	120 Å²	120	138.6 Å²	138.6	84%	0.839	78%	0.777	S	S	*	*			trans	70.5	162.4	156.6	-52.4	0	0	0	0	119.2
217	A	34.8	Very low	32.1	Very low	88 Å²	88	136.5 Å²	136.5	73%	0.727	77%	0.774	S	S	*	*			trans	68.9	132.8	-173.4	0	0	0	0	0	114.7
218	E	35.9	Very low	32	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	77%	0.773	S	S	*	*			cis	-141	147.3	-5.6	-93.7	141.1	140.9	0	0	107.4
219	I	31.6	Very low	31.9	Very low	151 Å²	151	131.7 Å²	131.7	77%	0.774	77%	0.77	S	S	*	*				40.8	114.5	93.5	-48.2	178.6	0	0	0	111.1
220	D	33.6	Very low	31.8	Very low	145 Å²	145	125.5 Å²	125.5	78%	0.775	76%	0.762	S	S	*	*				-152.6	-151.3	59.5	-147	-43.6	0	0	0	114.1
221	S	31.2	Very low	31.7	Very low	80 Å²	80	125.5 Å²	125.5	56%	0.559	76%	0.762	S	S	*	*			trans	-113.2	-174.9	-148.4	53.7	0	0	0	0	117.8
222	H	37.1	Very low	31.6	Very low	168 Å²	168	122.7 Å²	122.7	78%	0.778	75%	0.749	S	S	*	*			trans	75.6	122.5	-178.6	-54.4	-69	0	0	0	116.5
223	Q	30.7	Very low	31.4	Very low	152 Å²	152	128.6 Å²	128.6	71%	0.71	76%	0.763	S	S	*	*			cis	111.7	102.5	12.7	-168.4	-179.6	0.9	0	0	114.4
224	E	28.3	Very low	31.4	Very low	178 Å²	178	128.1 Å²	128.1	83%	0.832	77%	0.765	S	S	*	*			trans	63.3	149.5	149.5	-62.7	176.6	120.5	0	0	122.4
225	G	33.5	Very low	31.4	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	77%	0.766	S	S	*	*			trans	127.4	69.9	-176.1	0	0	0	0	0	112.3
226	S	29.6	Very low	31.2	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	78%	0.775	S	S	*	*				81.2	149.7	63.6	88	0	0	0	0	114.2
227	A	34.5	Very low	31.2	Very low	92 Å²	92	142 Å²	142	76%	0.76	78%	0.778	S	S	*	*			trans	58.6	113.2	-175.3	0	0	0	0	0	116.3
228	S	29.9	Very low	31.1	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	78%	0.784	S	S	*	*			cis	97	115	38.5	75.9	0	0	0	0	115.3
229	D	31.2	Very low	31	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	79%	0.787	S	S	*	*			trans	94.9	138.5	140	-156.7	31.3	0	0	0	122.4
230	S	28.8	Very low	30.8	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	79%	0.791	S	S	*	*			trans	84.3	146.5	151.7	85.3	0	0	0	0	121.8
231	S	28.1	Very low	30.7	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	80%	0.795	S	S	*	*			trans	87.5	99.2	150.3	-144.6	0	0	0	0	121.6
232	S	29.3	Very low	30.9	Very low	87 Å²	87	154.6 Å²	154.6	61%	0.608	81%	0.811	S	S	*	*				90.8	91	123.6	-61.2	0	0	0	0	122.6	A234	S232-A234 PolarHBondContact O-N 3.11Å
233	K	27.1	Very low	30.7	Very low	214 Å²	214	152.8 Å²	152.8	93%	0.93	81%	0.812	S	S	*	*				50.5	50.6	108.1	-62.2	174.7	176.7	171.2	0	119.3
234	A	29.3	Very low	30.6	Very low	90 Å²	90	156.9 Å²	156.9	74%	0.744	82%	0.82	S	S	*	*			trans	-147.1	51	176.2	0	0	0	0	0	118.7	S232	S232-A234 PolarHBondContact O-N 3.11Å
235	R	31.9	Very low	31	Very low	256 Å²	256	153.4 Å²	153.4	97%	0.966	82%	0.816	S	S	*	*			trans	-163.4	59.4	159.8	-115.1	162.4	-174.7	-161.3	-0.3	116.9
236	R	29	Very low	31.2	Very low	251 Å²	251	155.8 Å²	155.8	95%	0.947	82%	0.817	S	S	*	*			trans	-132.7	71.9	166.1	-106.5	-173.5	175.2	175.9	0.1	110.8
237	K	30.7	Very low	31.3	Very low	209 Å²	209	159.1 Å²	159.1	91%	0.909	82%	0.817	S	S	*	*			trans	-164.2	65.3	179.8	-118.1	175.7	-173.9	-176.4	0	114.3
238	H	32.6	Very low	31.3	Very low	184 Å²	184	160.1 Å²	160.1	85%	0.852	82%	0.816	S	S	*	*			trans	-158.4	168.5	153.3	-116.1	-10.5	0	0	0	110.9
239	L	33	Very low	31.3	Very low	166 Å²	166	163.6 Å²	163.6	87%	0.869	83%	0.825	S	S	*	*			trans	55.9	65.5	-174.5	-78.1	72.4	0	0	0	114.8
240	K	28	Very low	31.3	Very low	195 Å²	195	158.9 Å²	158.9	85%	0.848	81%	0.813	S	S	*	*			trans	-137.4	107.5	143	-83.6	-168.4	173.7	-172.3	0	107.7
241	N	31.6	Very low	31.6	Very low	161 Å²	161	161.8 Å²	161.8	86%	0.861	83%	0.826	S	S	*	*			trans	160.8	84.6	152.3	-86.7	-4	0	0	0	110.9
242	E	35.7	Very low	31.9	Very low	193 Å²	193	163.6 Å²	163.6	90%	0.902	83%	0.826	S	S	*	*			trans	172.3	138.3	156.3	-101.8	176.5	132.2	0	0	105.6
243	V	33.1	Very low	32.1	Very low	130 Å²	130	167.3 Å²	167.3	79%	0.788	84%	0.839	S	S	*	*			cis	-120.3	161.5	-3.8	176.6	0	0	0	0	108.9
244	R	28.7	Very low	32.6	Very low	237 Å²	237	161.9 Å²	161.9	89%	0.894	83%	0.828	S	S	*	*			trans	-137	157.8	175.3	-157.5	177	-172.4	-175.8	1.1	110.3
245	S	35.9	Very low	33	Very low	105 Å²	105	164.4 Å²	164.4	73%	0.734	83%	0.828	S	S	*	*			trans	79.4	148.4	-164.1	83.3	0	0	0	0	112.3
246	V	37.5	Very low	33.4	Very low	117 Å²	117	156.1 Å²	156.1	71%	0.709	81%	0.806	S	S	*	*			cis	-138.8	129.7	18.6	142.8	0	0	0	0	112.2
247	F	31.2	Very low	33.8	Very low	187 Å²	187	148 Å²	148	82%	0.82	79%	0.788	S	S	*	*			trans	59.1	179.9	151.1	-69.8	-114.6	0	0	0	118.8
248	P	34.2	Very low	34.3	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	76%	0.764	S	S	*	*				-125.7	-173.7	-83.3	39.3	-21.7	0	0	0	114.7
249	L	30	Very low	34.6	Very low	184 Å²	184	137.4 Å²	137.4	96%	0.963	75%	0.752	S	S	*	*			trans	-69.9	127.2	-173.2	-70.7	82.9	0	0	0	114
250	G	31.5	Very low	34.8	Very low	55 Å²	55	133.6 Å²	133.6	57%	0.567	74%	0.736	S	S	*	*			trans	169.2	154.5	167.5	0	0	0	0	0	111.7	L252	G250-L252 PolarHBondContact O-N 3.43Å
251	V	36.2	Very low	35.2	Very low	158 Å²	158	128.1 Å²	128.1	96%	0.958	72%	0.722	S	S	*	*	S	Bend	trans	54.4	45.9	166	-155.7	0	0	0	0	115.9
252	L	32.7	Very low	35.8	Very low	142 Å²	142	123.3 Å²	123.3	74%	0.743	70%	0.701	S	S	*	*			trans	-129.8	37.4	-179.4	-128.2	172.5	0	0	0	114.3	G250	G250-L252 PolarHBondContact O-N 3.43Å
253	L	34.6	Very low	35.7	Very low	166 Å²	166	121.9 Å²	121.9	87%	0.869	69%	0.692	S	S	*	*	S	Bend	trans	-125.5	-4.8	-179.4	-145.2	74.1	0	0	0	115.3
254	S	38	Very low	35.9	Very low	100 Å²	100	121.8 Å²	121.8	70%	0.699	69%	0.691	S	S	*	*	S	Bend	trans	-108.6	-17.4	-173.9	-158.5	0	0	0	0	115.2
255	L	37.3	Very low	36.1	Very low	143 Å²	143	117.1 Å²	117.1	75%	0.749	68%	0.684	S	S	*	*	S	Bend	trans	-97.9	-16.2	-177	-71.3	171.1	0	0	0	114.5
256	V	39.5	Very low	36	Very low	82 Å²	82	119 Å²	119	50%	0.497	68%	0.684	S	S	.	*	H	α-helix	trans	-70	-36.8	178.9	-178.1	0	0	0	0	111.3	L258 C259 T260	V256-L258 VanDerWaalsContact C-N 3.26Å; V256-L258 PolarHBondContact O-N 3.38Å; V256-C259 PolarHBondContact O-N 3.49Å; V256-C259 VanDerWaalsContact O-N 3.1Å; V256-T260 HydrophobicContact CG1-CG2 4.12Å; V256-T260 PolarHBondContact O-N 3.4Å; V256-T260 PolarHBondContact O-OG1 2.82Å
257	S	38.4	Very low	35.8	Very low	81 Å²	81	117.7 Å²	117.7	57%	0.566	68%	0.681	S	S	*	*	H	α-helix	trans	-68.5	-16.9	-173.8	-163.8	0	0	0	0	115	C261	S257-C261 PolarHBondContact O-SG 2.99Å
258	L	40.4	Very low	36	Very low	80 Å²	80	115.2 Å²	115.2	42%	0.419	67%	0.674	S	S	.	*	H	α-helix	trans	-86.4	-26	173.1	-76.7	172.5	0	0	0	112.7	V256 Y534	V256-L258 VanDerWaalsContact C-N 3.26Å; V256-L258 PolarHBondContact O-N 3.38Å; L258-Y534 HydrophobicContact CD1-CE1 4.43Å; L258-Y534 HydrophobicContact CD1-CE2 4.46Å; L258-Y534 HydrophobicContact CD2-CE2 3.92Å
259	C	38.8	Very low	35.9	Very low	89 Å²	89	114.7 Å²	114.7	60%	0.601	67%	0.672	S	S	*	*	H	α-helix	trans	-86.3	-26.9	-177.4	-153.6	0	0	0	0	112.1	V256	V256-C259 PolarHBondContact O-N 3.49Å; V256-C259 VanDerWaalsContact O-N 3.1Å
260	T	37.5	Very low	35.9	Very low	86 Å²	86	113.9 Å²	113.9	53%	0.528	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-79.8	-15.1	179.7	50.3	0	0	0	0	114.9	V256	V256-T260 HydrophobicContact CG1-CG2 4.12Å; V256-T260 PolarHBondContact O-N 3.4Å; V256-T260 PolarHBondContact O-OG1 2.82Å
261	C	36.6	Very low	35.9	Very low	81 Å²	81	115.9 Å²	115.9	55%	0.547	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-82.4	-12.1	-179.5	-68.6	0	0	0	0	114.3	S257	S257-C261 PolarHBondContact O-SG 2.99Å
262	S	44.1	Very low	35.7	Very low	60 Å²	60	112.9 Å²	112.9	42%	0.42	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-107.4	6.2	-179.5	-56.2	0	0	0	0	114
263	F	34	Very low	35.9	Very low	162 Å²	162	114.5 Å²	114.5	71%	0.711	67%	0.669	S	S	*	*			trans	-127.8	72.9	175.7	-81.3	-85.1	0	0	0	110.6
264	V	36.9	Very low	35.7	Very low	129 Å²	129	110.9 Å²	110.9	78%	0.782	66%	0.663	S	S	*	*			trans	-82.6	115.9	153.8	178	0	0	0	0	106.7	I266	V264-I266 PolarHBondContact O-N 3.1Å
265	D	32.1	Very low	35.5	Very low	139 Å²	139	115.6 Å²	115.6	74%	0.743	67%	0.671	S	S	*	*			trans	-59.2	108.5	-179.1	-76.3	-63.9	0	0	0	111.6	S267	D265-S267 PolarHBondContact O-N 3.42Å
266	I	35.1	Very low	35.3	Very low	144 Å²	144	116.2 Å²	116.2	74%	0.738	68%	0.675	S	S	*	*			trans	-76.6	57.8	158.6	-52.6	-176	0	0	0	108.3	V264 I268	V264-I266 PolarHBondContact O-N 3.1Å; I266-I268 VanDerWaalsContact C-N 3.28Å; I266-I268 HydrophobicContact CG2-CD1 3.94Å; I266-I268 HydrophobicContact CG2-CG1 3.85Å; I266-I268 PolarHBondContact O-N 3.34Å
267	S	31.8	Very low	35.1	Very low	90 Å²	90	119.9 Å²	119.9	63%	0.629	69%	0.692	S	S	*	*			trans	-83.2	80.2	162.9	-158.6	0	0	0	0	107.2	D265 C269	D265-S267 PolarHBondContact O-N 3.42Å; S267-C269 PolarHBondContact O-N 2.98Å
268	I	36.2	Very low	34.9	Very low	135 Å²	135	122.5 Å²	122.5	69%	0.692	70%	0.7	S	S	*	*			trans	-65.8	102.9	170.4	-68.2	172.7	0	0	0	106.9	I266 L270	I266-I268 VanDerWaalsContact C-N 3.28Å; I266-I268 HydrophobicContact CG2-CD1 3.94Å; I266-I268 HydrophobicContact CG2-CG1 3.85Å; I266-I268 PolarHBondContact O-N 3.34Å; I268-L270 PolarHBondContact O-N 2.94Å
269	C	31.5	Very low	34.8	Very low	103 Å²	103	127.6 Å²	127.6	70%	0.696	72%	0.721	S	S	*	*			trans	-67.1	91.1	178.9	-65.3	0	0	0	0	111	S267 S271	S267-C269 PolarHBondContact O-N 2.98Å; C269-S271 PolarHBondContact O-N 2.92Å
270	L	30	Very low	34.6	Very low	167 Å²	167	131.8 Å²	131.8	87%	0.874	73%	0.731	S	S	*	*			trans	-67.7	71.4	156.7	-76.2	163.2	0	0	0	109.1	I268	I268-L270 PolarHBondContact O-N 2.94Å
271	S	31.7	Very low	34.5	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	74%	0.739	S	S	*	*			trans	-157.6	93.6	179.5	-64.7	0	0	0	0	111.8	C269	C269-S271 PolarHBondContact O-N 2.92Å
272	A	33.1	Very low	34.4	Very low	95 Å²	95	135 Å²	135	79%	0.785	75%	0.753	S	S	*	*			trans	172.6	71.2	166.4	0	0	0	0	0	105.1
273	E	36.3	Very low	33.6	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	77%	0.769	S	S	*	*				48.4	115.1	73	-61.9	-164.8	145.5	0	0	111.8
274	A	30.1	Very low	33.6	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	78%	0.777	S	S	*	*			trans	-86	139.4	-176.2	0	0	0	0	0	111.1
275	F	34.6	Very low	33.1	Very low	200 Å²	200	139.2 Å²	139.2	88%	0.877	77%	0.772	S	S	*	*			trans	-138.5	108.4	157.4	-86.5	-81.9	0	0	0	108
276	D	32.1	Very low	33.2	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	77%	0.772	S	S	*	*			trans	-69.7	134.7	151.9	-64.9	-76.2	0	0	0	108.1
277	D	36.2	Very low	32.9	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	77%	0.774	S	S	*	*			trans	-153.5	149.1	139.2	-144.8	-33.1	0	0	0	109
278	D	33.6	Very low	32.9	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	78%	0.782	S	S	*	*			trans	-73.4	155.7	-180	-92.4	-61.9	0	0	0	111.3
279	H	37.6	Very low	32.5	Very low	187 Å²	187	136.4 Å²	136.4	87%	0.866	78%	0.782	S	S	*	*				-166.1	140.2	129.3	-107.7	56.8	0	0	0	112.3
280	H	35.6	Very low	32.5	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.815	79%	0.79	S	S	*	*			trans	-95.5	143.4	-172.4	-141.7	68.2	0	0	0	112.1
281	P	34.4	Very low	32.6	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	79%	0.788	S	S	*	*			trans	-95.6	158.1	-174.4	36.9	-35.8	0	0	0	114.1
282	P	34.9	Very low	32.6	Very low	128 Å²	128	146.2 Å²	146.2	83%	0.831	80%	0.802	S	S	*	*			trans	-116	149.9	161.6	35.1	-24.2	0	0	0	114.4
283	S	27.9	Very low	32.8	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	80%	0.799	S	S	*	*			trans	-82	156.2	-168.2	48.7	0	0	0	0	117.4
284	R	33	Very low	32.6	Very low	230 Å²	230	145.6 Å²	145.6	87%	0.868	80%	0.795	S	S	*	*			trans	175.1	119.1	142.4	-92.1	150.6	-169.6	-154.8	2.6	107.6
285	S	27.5	Very low	32.7	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	80%	0.799	S	S	*	*				52.2	127.1	77.5	76	0	0	0	0	113
286	V	33.5	Very low	32.9	Very low	123 Å²	123	146.9 Å²	146.9	75%	0.745	79%	0.79	S	S	*	*			cis	-150	163.9	28	-144.8	0	0	0	0	112.3
287	D	29.4	Very low	32.9	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	79%	0.794	S	S	*	*			trans	77.8	139.5	144.6	-88.4	-43.8	0	0	0	125.5
288	S	31.4	Very low	32.8	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	79%	0.793	S	S	*	*			trans	71	132.8	147.7	73.2	0	0	0	0	121.8
289	G	28.9	Very low	32.7	Very low	68 Å²	68	149.5 Å²	149.5	70%	0.701	79%	0.792	S	S	*	*			trans	108.9	113.8	140.9	0	0	0	0	0	118
290	L	30.9	Very low	32.5	Very low	163 Å²	163	148.9 Å²	148.9	85%	0.853	79%	0.793	S	S	*	*			trans	22.1	113.1	151	-66.9	80.1	0	0	0	118.8
291	N	32.5	Very low	32.3	Very low	157 Å²	157	144.8 Å²	144.8	84%	0.84	78%	0.781	S	S	*	*			trans	-164.7	89.8	130.1	-107.2	-54.6	0	0	0	111.1	V293	N291-V293 PolarHBondContact O-N 3.05Å
292	R	30.6	Very low	32.6	Very low	254 Å²	254	151.6 Å²	151.6	96%	0.958	79%	0.793	S	S	*	*			trans	-96.8	67.8	-176.9	-165.5	-180	-172.5	175.5	1.2	110.7	D294	R292-D294 PolarHBondContact O-N 3.26Å
293	V	37.1	Very low	33.2	Very low	121 Å²	121	153 Å²	153	73%	0.733	79%	0.786	S	S	*	*			trans	-65.5	117.1	178.1	-179.1	0	0	0	0	109.7	N291	N291-V293 PolarHBondContact O-N 3.05Å
294	D	33	Very low	34.9	Very low	136 Å²	136	150.2 Å²	150.2	73%	0.727	76%	0.763	S	S	*	*			trans	-67.2	145.9	-176.2	-170.5	24.5	0	0	0	112.5	R292	R292-D294 PolarHBondContact O-N 3.26Å
295	R	32.6	Very low	36.9	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	74%	0.736	S	S	*	*			trans	-121	70.2	178.3	-75.5	-171.7	171.4	-165.7	-0.7	109.6	K297	R295-K297 PolarHBondContact O-N 2.9Å
296	S	37.8	Very low	39.1	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	131	177.7	58	0	0	0	0	111.9	K298	S296-K298 PolarHBondContact O-N 3.38Å
297	K	32.2	Very low	41	Very low	212 Å²	212	135.4 Å²	135.4	92%	0.922	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.6	40.8	166.9	-57.6	-177.3	-176.6	176.3	0	117.7	R295	R295-K297 PolarHBondContact O-N 2.9Å
298	K	35.3	Very low	43.4	Very low	191 Å²	191	137 Å²	137	83%	0.83	69%	0.688	S	S	*	*			trans	-101.3	101.3	143.9	-74.9	-164.7	175.7	-170.9	0	109.7	S296 I300	S296-K298 PolarHBondContact O-N 3.38Å; K298-I300 PolarHBondContact O-N 2.93Å
299	S	30.2	Very low	45.8	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	65%	0.654	S	S	*	*			trans	-51.6	130.9	-174.3	-174.2	0	0	0	0	112.5	T301	S299-T301 PolarHBondContact O-N 3.2Å
300	I	34.2	Very low	48.5	Very low	174 Å²	174	129.5 Å²	129.5	89%	0.892	63%	0.626	S	S	*	*	S	Bend	trans	-83.8	51.8	-172.6	-166.9	164.5	0	0	0	112.6	K298	K298-I300 PolarHBondContact O-N 2.93Å
301	T	31.1	Very low	51.4	Low	90 Å²	90	121.7 Å²	121.7	55%	0.552	59%	0.585	S	S	*	*			trans	-136.2	77.4	169.2	14.9	0	0	0	0	109.2	S299 F303	S299-T301 PolarHBondContact O-N 3.2Å; T301-F303 HydrophobicContact CG2-CD2 4.17Å; T301-F303 HydrophobicContact CG2-CE2 3.73Å; T301-F303 PolarHBondContact O-N 3.39Å
302	R	40.4	Very low	54.4	Low	252 Å²	252	116 Å²	116	95%	0.951	55%	0.554	S	S	*	*			trans	-76.6	50.6	-176.2	-160.3	-162.9	-61.6	170.4	2.7	112.7
303	F	46.6	Very low	57.4	Low	156 Å²	156	107.4 Å²	107.4	68%	0.684	53%	0.526	S	S	*	.			trans	-62.8	135.4	165.7	-69.3	-72.2	0	0	0	109.2	T301 K305	T301-F303 HydrophobicContact CG2-CD2 4.17Å; T301-F303 HydrophobicContact CG2-CE2 3.73Å; T301-F303 PolarHBondContact O-N 3.39Å; F303-K305 PolarHBondContact O-N 3.41Å
304	N	65.2	Low	60.1	Low	52 Å²	52	101.9 Å²	101.9	28%	0.278	49%	0.493	S	S	.	.			trans	-62.4	131.6	-179.5	-178.8	3.9	0	0	0	109.8	F306 V307 K308 S608	N304-F306 PolarHBondContact O-N 2.74Å; N304-F306 PolarHBondContact OD1-N 2.94Å; N304-V307 HydrophobicContact CB-CG2 4.04Å; N304-V307 WeakPolarHBondContact O-CB 3.34Å; N304-V307 PolarHBondContact O-N 3.01Å; N304-K308 PolarHBondContact O-N 3.46Å; N304-S608 PolarHBondContact ND2-OG 3.3Å
305	K	73.5	Confident	63.1	Low	71 Å²	71	95.4 Å²	95.4	31%	0.309	46%	0.458	S	S	.	.	H	α-helix	trans	-54	-41	-178.1	-171.2	179.8	-174.7	176.9	0	111.5	F303 V307 K308 S309 D601	F303-K305 PolarHBondContact O-N 3.41Å; K305-V307 PolarHBondContact O-N 2.63Å; K305-K308 PolarHBondContact O-N 3.33Å; K305-K308 VanDerWaalsContact O-N 3.12Å; K305-S309 WeakPolarHBondContact O-CB 3.4Å; K305-S309 PolarHBondContact O-N 2.98Å; K305-S309 PolarHBondContact O-OG 2.88Å; K305-D601 HydrophobicContact CD-CB 3.78Å; K305-D601 VanDerWaalsContact CD-OD2 3.27Å; K305-D601 WeakPolarHBondContact CD-OD2 3.26Å; K305-D601 WeakPolarHBondContact CE-OD2 3.17Å; K305-D601 IonicContact NZ-OD2 2.69Å; K305-D601 PolarHBondContact NZ-OD2 3.45Å
306	F	75.6	Confident	66.1	Low	4 Å²	4	87 Å²	87	2%	0.018	43%	0.429	C	S	.	.	H	α-helix	trans	-52	-35	174.4	174.7	-105.2	0	0	0	114.5	N304 S309 T311 E312 V315 V605 S608 A609 K612	N304-F306 PolarHBondContact O-N 2.74Å; N304-F306 PolarHBondContact OD1-N 2.94Å; F306-S309 PolarHBondContact O-OG 3.47Å; F306-T311 HydrophobicContact CD2-CG2 3.81Å; F306-T311 HydrophobicContact CE2-CG2 3.89Å; F306-T311 PolarHBondContact O-N 3.44Å; F306-E312 HydrophobicContact CD1-CB 3.76Å; F306-E312 HydrophobicContact CD1-CG 4.37Å; F306-E312 HydrophobicContact CE1-CB 3.42Å; F306-E312 VanDerWaalsContact CE1-CB 3.42Å; F306-E312 HydrophobicContact CE1-CG 3.7Å; F306-E312 HydrophobicContact CZ-CB 3.93Å; F306-E312 HydrophobicContact CZ-CG 4.31Å; F306-E312 PolarHBondContact O-N 3.36Å; F306-V315 HydrophobicContact CE2-CG2 4.29Å; F306-V315 HydrophobicContact CZ-CG2 4.49Å; F306-V605 HydrophobicContact CB-CG2 4.47Å; F306-V605 HydrophobicContact CD2-CG1 4.28Å; F306-S608 VanDerWaalsContact CD1-CB 3.43Å; F306-A609 HydrophobicContact CE2-CB 3.93Å; F306-A609 HydrophobicContact CZ-CB 4.45Å; F306-K612 HydrophobicContact CE1-CG 4.24Å; F306-K612 HydrophobicContact CZ-CG 4.23Å
307	V	72.4	Confident	68.7	Low	65 Å²	65	86.4 Å²	86.4	39%	0.394	42%	0.418	S	S	.	.	H	α-helix	trans	-84.2	-44.4	177.5	-173.8	0	0	0	0	109.8	N304 K305 S309 G310 E312	N304-V307 HydrophobicContact CB-CG2 4.04Å; N304-V307 WeakPolarHBondContact O-CB 3.34Å; N304-V307 PolarHBondContact O-N 3.01Å; K305-V307 PolarHBondContact O-N 2.63Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.18Å; V307-G310 PolarHBondContact O-N 3.33Å; V307-E312 WeakPolarHBondContact CG2-OE2 3.45Å
308	K	79.2	Confident	71.5	Confident	178 Å²	178	80 Å²	80	77%	0.774	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-33.9	-179	-172.7	177.9	176.7	-175.1	0	113	N304 K305 G310	N304-K308 PolarHBondContact O-N 3.46Å; K305-K308 PolarHBondContact O-N 3.33Å; K305-K308 VanDerWaalsContact O-N 3.12Å; K308-G310 VanDerWaalsContact C-N 3.26Å
309	S	81.7	Confident	74	Confident	13 Å²	13	72.7 Å²	72.7	9%	0.091	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.4	171.5	59.3	0	0	0	0	113.1	K305 F306 V307 T311 D472 G473	K305-S309 WeakPolarHBondContact O-CB 3.4Å; K305-S309 PolarHBondContact O-N 2.98Å; K305-S309 PolarHBondContact O-OG 2.88Å; F306-S309 PolarHBondContact O-OG 3.47Å; V307-S309 VanDerWaalsContact C-N 3.33Å; V307-S309 PolarHBondContact O-N 3.18Å; S309-T311 PolarHBondContact O-N 3.23Å; S309-T311 WeakPolarHBondContact OG-CB 3.43Å; S309-T311 PolarHBondContact OG-N 3.1Å; S309-T311 PolarHBondContact OG-OG1 3.05Å; S309-D472 WeakPolarHBondContact O-CB 3.19Å; S309-G473 WeakPolarHBondContact O-CA 3.44Å; S309-G473 PolarHBondContact O-N 2.99Å
310	G	86.8	Confident	76.3	Confident	11 Å²	11	77 Å²	77	11%	0.113	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	19.8	-169.2	0	0	0	0	0	113.5	V307 K308 E312 N313 F314	V307-G310 PolarHBondContact O-N 3.33Å; K308-G310 VanDerWaalsContact C-N 3.26Å; G310-E312 PolarHBondContact O-N 3.42Å; G310-N313 WeakPolarHBondContact O-CA 3.11Å; G310-N313 WeakPolarHBondContact O-CB 3.43Å; G310-N313 PolarHBondContact O-N 3.06Å; G310-F314 PolarHBondContact O-N 2.64Å
311	T	92.3	Very high	78.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-31.6	169.4	-55	0	0	0	0	110.4	F306 S309 N313 F314 V315 F476 V605 V640	F306-T311 HydrophobicContact CD2-CG2 3.81Å; F306-T311 HydrophobicContact CE2-CG2 3.89Å; F306-T311 PolarHBondContact O-N 3.44Å; S309-T311 PolarHBondContact O-N 3.23Å; S309-T311 WeakPolarHBondContact OG-CB 3.43Å; S309-T311 PolarHBondContact OG-N 3.1Å; S309-T311 PolarHBondContact OG-OG1 3.05Å; T311-N313 VanDerWaalsContact C-N 3.35Å; T311-F314 PolarHBondContact O-N 3Å; T311-V315 WeakPolarHBondContact O-CG2 3.29Å; T311-V315 PolarHBondContact O-N 3.41Å; T311-F476 HydrophobicContact CG2-CD2 4.13Å; T311-F476 HydrophobicContact CG2-CE2 3.56Å; T311-F476 HydrophobicContact CG2-CZ 4.34Å; T311-V605 HydrophobicContact CG2-CG1 4.06Å; T311-V640 HydrophobicContact CG2-CG2 4.17Å
312	E	94.1	Very high	81.1	Confident	38 Å²	38	71.9 Å²	71.9	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-55.6	-47	164.9	-172.6	165.2	-132.3	0	0	112.1	F306 V307 G310 F314 V315 L316 K612	F306-E312 HydrophobicContact CD1-CB 3.76Å; F306-E312 HydrophobicContact CD1-CG 4.37Å; F306-E312 HydrophobicContact CE1-CB 3.42Å; F306-E312 VanDerWaalsContact CE1-CB 3.42Å; F306-E312 HydrophobicContact CE1-CG 3.7Å; F306-E312 HydrophobicContact CZ-CB 3.93Å; F306-E312 HydrophobicContact CZ-CG 4.31Å; F306-E312 PolarHBondContact O-N 3.36Å; V307-E312 WeakPolarHBondContact CG2-OE2 3.45Å; G310-E312 PolarHBondContact O-N 3.42Å; E312-F314 VanDerWaalsContact C-N 3.32Å; E312-F314 PolarHBondContact O-N 3.32Å; E312-V315 PolarHBondContact O-N 3.11Å; E312-L316 HydrophobicContact CG-CD1 3.64Å; E312-L316 HydrophobicContact CG-CG 4.1Å; E312-L316 WeakPolarHBondContact O-CB 3.44Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.23Å; E312-L316 PolarHBondContact O-N 3.34Å; E312-K612 WeakPolarHBondContact OE1-CE 3.3Å; E312-K612 IonicContact OE1-NZ 3.76Å
313	N	93.8	Very high	83.2	Confident	72 Å²	72	64.9 Å²	64.9	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-32.8	-178	-61.8	-30.3	0	0	0	112.9	G310 T311 N317 T318 T319	G310-N313 WeakPolarHBondContact O-CA 3.11Å; G310-N313 WeakPolarHBondContact O-CB 3.43Å; G310-N313 PolarHBondContact O-N 3.06Å; T311-N313 VanDerWaalsContact C-N 3.35Å; N313-N317 PolarHBondContact O-N 3.46Å; N313-T318 WeakPolarHBondContact CA-OG1 3.37Å; N313-T318 VanDerWaalsContact CB-OG1 3.25Å; N313-T318 WeakPolarHBondContact CB-OG1 3.31Å; N313-T318 PolarHBondContact O-N 2.73Å; N313-T318 PolarHBondContact O-OG1 3.49Å; N313-T318 PolarHBondContact OD1-OG1 2.82Å; N313-T319 VanDerWaalsContact C-OG1 3.28Å; N313-T319 WeakPolarHBondContact CB-OG1 3.41Å; N313-T319 PolarHBondContact O-N 2.96Å; N313-T319 PolarHBondContact O-OG1 3.12Å
314	F	95	Very high	85.2	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-59.8	167.8	173.1	-99.2	0	0	0	110.3	G310 T311 E312 L316 N317 T319 G473 F476 F477 R636 V639 V640	G310-F314 PolarHBondContact O-N 2.64Å; T311-F314 PolarHBondContact O-N 3Å; E312-F314 VanDerWaalsContact C-N 3.32Å; E312-F314 PolarHBondContact O-N 3.32Å; F314-L316 VanDerWaalsContact C-N 3.26Å; F314-L316 PolarHBondContact O-N 3.18Å; F314-N317 PolarHBondContact O-N 2.81Å; F314-T319 PolarHBondContact N-OG1 3.35Å; F314-G473 WeakPolarHBondContact CB-O 3.06Å; F314-F476 HydrophobicContact CD1-CB 3.76Å; F314-F476 HydrophobicContact CD1-CD2 4.24Å; F314-F476 HydrophobicContact CD1-CG 4.23Å; F314-F476 HydrophobicContact CD2-CB 3.97Å; F314-F476 HydrophobicContact CE1-CB 3.44Å; F314-F476 VanDerWaalsContact CE1-CB 3.44Å; F314-F476 HydrophobicContact CE1-CG 4.14Å; F314-F476 HydrophobicContact CE2-CB 3.66Å; F314-F476 HydrophobicContact CG-CB 4.02Å; F314-F476 HydrophobicContact CZ-CB 3.4Å; F314-F477 HydrophobicContact CD2-CD1 4.27Å; F314-F477 AromaticContact CD2-CD2 3.91Å; F314-F477 HydrophobicContact CD2-CD2 3.91Å; F314-F477 HydrophobicContact CD2-CE1 4.07Å; F314-F477 AromaticContact CD2-CE2 3.68Å; F314-F477 HydrophobicContact CD2-CE2 3.68Å; F314-F477 HydrophobicContact CD2-CG 4.2Å; F314-F477 AromaticContact CD2-CZ 3.76Å; F314-F477 HydrophobicContact CD2-CZ 3.76Å; F314-F477 AromaticContact CE2-CD1 3.79Å; F314-F477 HydrophobicContact CE2-CD1 3.79Å; F314-F477 HydrophobicContact CE2-CD2 4.14Å; F314-F477 AromaticContact CE2-CE1 3.85Å; F314-F477 HydrophobicContact CE2-CE1 3.85Å; F314-F477 HydrophobicContact CE2-CE2 4.19Å; F314-F477 AromaticContact CE2-CG 3.94Å; F314-F477 HydrophobicContact CE2-CG 3.94Å; F314-F477 HydrophobicContact CE2-CZ 4.05Å; F314-R636 HydrophobicContact CD1-CB 4.28Å; F314-R636 HydrophobicContact CE1-CB 3.76Å; F314-R636 HydrophobicContact CE1-CG 3.91Å; F314-R636 HydrophobicContact CZ-CB 4.26Å; F314-R636 HydrophobicContact CZ-CG 3.89Å; F314-R636 WeakPolarHBondContact O-CD 3.47Å; F314-R636 PolarHBondContact O-NE 3.32Å; F314-V639 HydrophobicContact CE1-CB 4.46Å; F314-V639 HydrophobicContact CE1-CG1 4.46Å; F314-V639 HydrophobicContact CZ-CB 4.46Å; F314-V639 HydrophobicContact CZ-CG1 4.24Å; F314-V640 HydrophobicContact CD1-CG2 4.34Å; F314-V640 HydrophobicContact CE1-CG2 4.32Å
315	V	95.9	Very high	86.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.4	-40.2	-176.8	169.7	0	0	0	0	112.1	F306 T311 E312 N317 A609 K612 V633 V640	F306-V315 HydrophobicContact CE2-CG2 4.29Å; F306-V315 HydrophobicContact CZ-CG2 4.49Å; T311-V315 WeakPolarHBondContact O-CG2 3.29Å; T311-V315 PolarHBondContact O-N 3.41Å; E312-V315 PolarHBondContact O-N 3.11Å; V315-N317 VanDerWaalsContact C-N 3.31Å; V315-N317 PolarHBondContact O-N 3.33Å; V315-A609 HydrophobicContact CG2-CB 4.25Å; V315-K612 HydrophobicContact CG1-CB 4.13Å; V315-V633 HydrophobicContact CG1-CG1 3.93Å; V315-V640 HydrophobicContact CG2-CG2 4.15Å
316	L	94.8	Very high	86.9	Confident	43 Å²	43	62.8 Å²	62.8	23%	0.225	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8.3	180	-60.7	-174.8	0	0	0	115	E312 F314 T318 K612 H616 V633	E312-L316 HydrophobicContact CG-CD1 3.64Å; E312-L316 HydrophobicContact CG-CG 4.1Å; E312-L316 WeakPolarHBondContact O-CB 3.44Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.23Å; E312-L316 PolarHBondContact O-N 3.34Å; F314-L316 VanDerWaalsContact C-N 3.26Å; F314-L316 PolarHBondContact O-N 3.18Å; L316-T318 HydrophobicContact CB-CG2 4.03Å; L316-T318 PolarHBondContact O-N 3.48Å; L316-T318 VanDerWaalsContact O-N 3.15Å; L316-K612 HydrophobicContact CD2-CB 4.17Å; L316-K612 HydrophobicContact CD2-CD 4.25Å; L316-K612 HydrophobicContact CD2-CG 4.13Å; L316-H616 WeakPolarHBondContact CD2-CE1 3.46Å; L316-V633 HydrophobicContact CD2-CG2 4.34Å
317	N	92.6	Very high	87.6	Confident	84 Å²	84	63.6 Å²	63.6	45%	0.449	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	21.4	-178.8	-166.5	50.7	0	0	0	114.7	N313 F314 V315 L632 R636	N313-N317 PolarHBondContact O-N 3.46Å; F314-N317 PolarHBondContact O-N 2.81Å; V315-N317 VanDerWaalsContact C-N 3.31Å; V315-N317 PolarHBondContact O-N 3.33Å; N317-L632 HydrophobicContact CB-CD2 4.04Å; N317-R636 VanDerWaalsContact CG-NH1 3.34Å; N317-R636 PolarHBondContact OD1-NH1 2.88Å; N317-R636 PolarHBondContact OD1-NH2 2.97Å
318	T	91.9	Very high	88.6	Confident	79 Å²	79	66.7 Å²	66.7	49%	0.485	36%	0.359	S	S	.	.			trans	-91.4	-23.8	-175.5	63.1	0	0	0	0	113.5	N313 L316	N313-T318 WeakPolarHBondContact CA-OG1 3.37Å; N313-T318 VanDerWaalsContact CB-OG1 3.25Å; N313-T318 WeakPolarHBondContact CB-OG1 3.31Å; N313-T318 PolarHBondContact O-N 2.73Å; N313-T318 PolarHBondContact O-OG1 3.49Å; N313-T318 PolarHBondContact OD1-OG1 2.82Å; L316-T318 HydrophobicContact CB-CG2 4.03Å; L316-T318 PolarHBondContact O-N 3.48Å; L316-T318 VanDerWaalsContact O-N 3.15Å
319	T	86.8	Confident	89.4	Confident	37 Å²	37	58.5 Å²	58.5	23%	0.227	32%	0.323	C	S	.	.			trans	-71.5	145.8	176.8	-37.5	0	0	0	0	112.4	N313 F314 N474	N313-T319 VanDerWaalsContact C-OG1 3.28Å; N313-T319 WeakPolarHBondContact CB-OG1 3.41Å; N313-T319 PolarHBondContact O-N 2.96Å; N313-T319 PolarHBondContact O-OG1 3.12Å; F314-T319 PolarHBondContact N-OG1 3.35Å; T319-N474 WeakPolarHBondContact CB-OD1 3.44Å; T319-N474 WeakPolarHBondContact CG2-OD1 3.39Å
320	K	78.5	Confident	90	Very high	193 Å²	193	62.7 Å²	62.7	84%	0.839	34%	0.341	S	S	*	.			trans	-119.4	134.9	170.8	-60.6	176.2	-177.3	177.4	0	109
321	T	81.4	Confident	90.5	Very high	52 Å²	52	62.5 Å²	62.5	32%	0.319	34%	0.337	S	S	.	.			trans	-108.4	143.3	169.4	57.7	0	0	0	0	109	Y470 F477	T321-Y470 HydrophobicContact CG2-CD1 4.41Å; T321-Y470 HydrophobicContact CG2-CE1 3.76Å; T321-F477 HydrophobicContact CG2-CD2 4.16Å; T321-F477 HydrophobicContact CG2-CE2 4.22Å
322	S	85.5	Confident	90.7	Very high	103 Å²	103	62.9 Å²	62.9	72%	0.72	34%	0.342	S	S	*	.			trans	-99	-30.9	-179.3	90.5	0	0	0	0	112.6	E469	S322-E469 PolarHBondContact N-OE2 3.3Å; S322-E469 PolarHBondContact OG-OE1 3.33Å
323	Q	83.9	Confident	90.5	Very high	106 Å²	106	65.9 Å²	65.9	50%	0.495	36%	0.356	S	S	.	.	S	Bend	trans	-90.2	164.3	179.8	-72.3	172.3	75.7	0	0	111.7	E469 Y470	Q323-E469 PolarHBondContact N-OE2 3.05Å; Q323-E469 VanDerWaalsContact N-OE2 3.13Å; Q323-E469 VanDerWaalsContact NE2-CD 3.32Å; Q323-E469 PolarHBondContact NE2-OE1 2.95Å; Q323-Y470 PolarHBondContact O-OH 2.79Å
324	P	88.7	Confident	90.2	Very high	113 Å²	113	63.5 Å²	63.5	73%	0.734	35%	0.349	S	S	*	.			trans	-80.9	150.4	165.5	33.2	-33.9	0	0	0	111.4	S326	P324-S326 PolarHBondContact O-N 3.28Å
325	V	87.9	Confident	89.7	Confident	45 Å²	45	68.5 Å²	68.5	27%	0.273	39%	0.391	S	S	.	.			trans	-62.9	114	174.3	176.2	0	0	0	0	110.5	E327 K328 Y470 T478	V325-E327 WeakPolarHBondContact CG1-O 3.19Å; V325-K328 HydrophobicContact CG1-CG 3.84Å; V325-Y470 HydrophobicContact CG2-CD1 4.4Å; V325-Y470 HydrophobicContact CG2-CE1 3.61Å; V325-Y470 HydrophobicContact CG2-CE2 4.27Å; V325-Y470 WeakPolarHBondContact CG2-OH 3.48Å; V325-Y470 PolarHBondContact N-OH 3.24Å; V325-T478 HydrophobicContact CG1-CG2 4.3Å
326	S	86.1	Confident	89.1	Confident	77 Å²	77	73.6 Å²	73.6	54%	0.538	42%	0.418	S	S	.	.			trans	-86.7	-45	176.3	61.7	0	0	0	0	113.2	P324 E444	P324-S326 PolarHBondContact O-N 3.28Å; S326-E444 PolarHBondContact OG-OE1 2.95Å
327	E	91	Very high	88.9	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.098	43%	0.425	C	S	.	.			trans	-94.1	137.2	176.5	-69.5	156.1	113.6	0	0	110.6	V325 F329 K397 C443 E444 T478	V325-E327 WeakPolarHBondContact CG1-O 3.19Å; E327-F329 HydrophobicContact CB-CE2 4Å; E327-F329 HydrophobicContact CB-CZ 3.86Å; E327-F329 HydrophobicContact CG-CZ 4.41Å; E327-K397 IonicContact OE1-NZ 2.6Å; E327-K397 IonicContact OE2-NZ 2.9Å; E327-K397 PolarHBondContact OE2-NZ 2.94Å; E327-C443 VanDerWaalsContact OE1-CA 3.24Å; E327-C443 WeakPolarHBondContact OE1-CA 3.38Å; E327-C443 PolarHBondContact OE1-SG 3.5Å; E327-C443 VanDerWaalsContact OE1-SG 3.36Å; E327-E444 HydrophobicContact CG-CG 3.96Å; E327-E444 PolarHBondContact OE1-N 2.76Å; E327-T478 WeakPolarHBondContact O-CB 3.33Å
328	K	93.1	Very high	89.1	Confident	130 Å²	130	70.7 Å²	70.7	57%	0.565	41%	0.411	S	S	*	.			trans	-130.3	141	171.2	-70.5	-175.3	176.4	-174.5	0	110.5	V325 T478	V325-K328 HydrophobicContact CG1-CG 3.84Å; K328-T478 CarbonylContact C-O 3.48Å; K328-T478 VanDerWaalsContact CA-O 3.31Å; K328-T478 WeakPolarHBondContact CA-O 3.17Å
329	F	95.2	Very high	89.3	Confident	6 Å²	6	69.8 Å²	69.8	3%	0.026	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.8	178.4	-49	-76.8	0	0	0	109.5	E327 W340 F398 V439 Q442 F475 T478 I479 C480	E327-F329 HydrophobicContact CB-CE2 4Å; E327-F329 HydrophobicContact CB-CZ 3.86Å; E327-F329 HydrophobicContact CG-CZ 4.41Å; F329-W340 HydrophobicContact CB-CE3 4.44Å; F329-W340 HydrophobicContact CB-CZ3 3.99Å; F329-F398 HydrophobicContact CE2-CE1 4.35Å; F329-V439 HydrophobicContact CB-CG2 4.28Å; F329-V439 HydrophobicContact CD1-CB 4.2Å; F329-V439 HydrophobicContact CD1-CG1 3.86Å; F329-V439 HydrophobicContact CD1-CG2 4.29Å; F329-V439 HydrophobicContact CD2-CG1 4.08Å; F329-V439 HydrophobicContact CE1-CB 4.45Å; F329-V439 HydrophobicContact CE1-CG1 3.85Å; F329-V439 HydrophobicContact CE2-CG1 4.08Å; F329-V439 HydrophobicContact CG-CG1 3.97Å; F329-V439 HydrophobicContact CG-CG2 4.27Å; F329-V439 HydrophobicContact CZ-CG1 3.96Å; F329-Q442 HydrophobicContact CE1-CB 4.17Å; F329-F475 AromaticContact CD2-CE2 3.97Å; F329-F475 HydrophobicContact CD2-CE2 3.97Å; F329-F475 HydrophobicContact CE2-CE2 4.09Å; F329-T478 WeakPolarHBondContact CD2-OG1 3.49Å; F329-T478 PolarHBondContact N-O 2.84Å; F329-I479 HydrophobicContact CB-CD1 3.99Å; F329-I479 HydrophobicContact CD2-CD1 4.19Å; F329-I479 WeakPolarHBondContact O-CA 3.36Å; F329-C480 PolarHBondContact O-N 2.88Å
330	E	95.7	Very high	89.8	Confident	101 Å²	101	68.9 Å²	68.9	47%	0.472	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.5	-173.7	-63.7	-178	177.3	0	0	111.6	L341 C480	E330-L341 HydrophobicContact CB-CB 4.14Å; E330-L341 HydrophobicContact CB-CD1 4.11Å; E330-L341 HydrophobicContact CB-CG 4.41Å; E330-L341 PolarHBondContact O-N 3.36Å; E330-C480 HydrophobicContact CG-CB 4.13Å
331	I	97.3	Very high	90.5	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.1	174.2	-62	178.2	0	0	0	108	I338 Q339 W340 I479 C480 P482 Y642 A646	I331-I338 HydrophobicContact CG2-CG2 3.61Å; I331-Q339 WeakPolarHBondContact CA-O 3.38Å; I331-W340 HydrophobicContact CD1-CE3 4.29Å; I331-W340 HydrophobicContact CD1-CH2 3.73Å; I331-W340 HydrophobicContact CD1-CZ2 4.47Å; I331-W340 HydrophobicContact CD1-CZ3 3.64Å; I331-W340 HydrophobicContact CG1-CD2 4.44Å; I331-W340 HydrophobicContact CG1-CE3 3.6Å; I331-W340 HydrophobicContact CG1-CH2 3.96Å; I331-W340 HydrophobicContact CG1-CZ3 3.33Å; I331-I479 HydrophobicContact CD1-CG2 3.5Å; I331-I479 HydrophobicContact CG1-CG2 4.08Å; I331-C480 PolarHBondContact N-O 3.01Å; I331-P482 WeakPolarHBondContact O-CD 3.23Å; I331-Y642 HydrophobicContact CG2-CD1 3.94Å; I331-A646 HydrophobicContact CD1-CB 4.11Å; I331-A646 HydrophobicContact CG1-CB 4.22Å; I331-A646 HydrophobicContact CG2-CB 4.13Å
332	G	94.9	Very high	90.4	Very high	9 Å²	9	64.2 Å²	64.2	9%	0.093	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	170.4	177.8	0	0	0	0	0	112.6	I338 Q339	G332-I338 WeakPolarHBondContact O-CA 3.29Å; G332-Q339 PolarHBondContact N-O 2.85Å; G332-Q339 PolarHBondContact O-N 3.27Å
333	E	91.5	Very high	89.6	Confident	100 Å²	100	63 Å²	63	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.1	169.7	-64.8	-173.9	-157.2	0	0	109.6	I338 R484	E333-I338 HydrophobicContact CG-CG1 4.49Å; E333-R484 WeakPolarHBondContact OE1-CD 3.2Å; E333-R484 IonicContact OE1-CZ 2.71Å; E333-R484 IonicContact OE1-NE 3.07Å; E333-R484 IonicContact OE1-NH1 3.91Å; E333-R484 PolarHBondContact OE1-NH1 2.94Å; E333-R484 IonicContact OE2-NH1 2.72Å; E333-R484 PolarHBondContact OE2-NH1 2.8Å
334	G	86.8	Confident	89.1	Confident	23 Å²	23	59.6 Å²	59.6	24%	0.237	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-179.6	170.6	0	0	0	0	0	112	N336 G337	G334-N336 PolarHBondContact O-N 2.98Å; G334-N336 VanDerWaalsContact O-N 3.13Å; G334-G337 PolarHBondContact N-O 2.89Å; G334-G337 PolarHBondContact O-N 3.47Å
335	A	84.9	Confident	89	Confident	111 Å²	111	62.8 Å²	62.8	92%	0.917	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.7	177.3	0	0	0	0	0	113.5
336	N	82.7	Confident	89.1	Confident	107 Å²	107	65 Å²	65	57%	0.572	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	24.3	176.7	-64.2	-4.5	0	0	0	112.3	G334 N649	G334-N336 PolarHBondContact O-N 2.98Å; G334-N336 VanDerWaalsContact O-N 3.13Å; N336-N649 PolarHBondContact O-ND2 3.41Å
337	G	90.9	Very high	89.5	Confident	36 Å²	36	62.8 Å²	62.8	37%	0.371	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-156.2	-174.7	0	0	0	0	0	113.6	G334	G334-G337 PolarHBondContact N-O 2.89Å; G334-G337 PolarHBondContact O-N 3.47Å
338	I	96.7	Very high	89.7	Confident	29 Å²	29	65.2 Å²	65.2	15%	0.149	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	133	-174.5	-69.9	160.7	0	0	0	111.2	I331 G332 E333 L486 Y642 L645 A646 N649	I331-I338 HydrophobicContact CG2-CG2 3.61Å; G332-I338 WeakPolarHBondContact O-CA 3.29Å; E333-I338 HydrophobicContact CG-CG1 4.49Å; I338-L486 HydrophobicContact CD1-CD2 3.6Å; I338-Y642 HydrophobicContact CD1-CD1 3.72Å; I338-Y642 HydrophobicContact CD1-CE1 3.5Å; I338-Y642 HydrophobicContact CG1-CD1 4.04Å; I338-Y642 HydrophobicContact CG1-CE1 3.8Å; I338-Y642 HydrophobicContact CG2-CD1 3.8Å; I338-Y642 HydrophobicContact CG2-CE1 4.39Å; I338-L645 HydrophobicContact CB-CB 4.16Å; I338-L645 HydrophobicContact CD1-CB 4.39Å; I338-L645 HydrophobicContact CD1-CD1 3.68Å; I338-L645 HydrophobicContact CG2-CB 3.95Å; I338-A646 HydrophobicContact CG2-CB 4.05Å; I338-N649 VanDerWaalsContact O-CB 3.31Å; I338-N649 WeakPolarHBondContact O-CB 3.48Å; I338-N649 PolarHBondContact O-ND2 3.21Å
339	Q	96.2	Very high	89.9	Confident	61 Å²	61	59.2 Å²	59.2	29%	0.285	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.1	-175.8	62	178.3	12	0	0	112.5	I331 G332	I331-Q339 WeakPolarHBondContact CA-O 3.38Å; G332-Q339 PolarHBondContact N-O 2.85Å; G332-Q339 PolarHBondContact O-N 3.27Å
340	W	96.3	Very high	90	Very high	17 Å²	17	63.9 Å²	63.9	6%	0.064	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135	165.8	-66.4	118.9	0	0	0	111.1	F329 I331 M401 P438 V439 I479 T643 A646 E647	F329-W340 HydrophobicContact CB-CE3 4.44Å; F329-W340 HydrophobicContact CB-CZ3 3.99Å; I331-W340 HydrophobicContact CD1-CE3 4.29Å; I331-W340 HydrophobicContact CD1-CH2 3.73Å; I331-W340 HydrophobicContact CD1-CZ2 4.47Å; I331-W340 HydrophobicContact CD1-CZ3 3.64Å; I331-W340 HydrophobicContact CG1-CD2 4.44Å; I331-W340 HydrophobicContact CG1-CE3 3.6Å; I331-W340 HydrophobicContact CG1-CH2 3.96Å; I331-W340 HydrophobicContact CG1-CZ3 3.33Å; W340-M401 HydrophobicContact CH2-CE 4.19Å; W340-M401 HydrophobicContact CZ2-CE 3.52Å; W340-M401 HydrophobicContact CZ2-SD 3.99Å; W340-P438 HydrophobicContact CB-CB 3.73Å; W340-P438 HydrophobicContact CB-CG 3.84Å; W340-P438 HydrophobicContact CG-CB 4.31Å; W340-P438 HydrophobicContact CG-CG 4.47Å; W340-V439 HydrophobicContact CD2-CG2 3.59Å; W340-V439 HydrophobicContact CE3-CG2 3.64Å; W340-V439 HydrophobicContact CG-CG2 4.31Å; W340-V439 HydrophobicContact CH2-CG2 3.82Å; W340-V439 HydrophobicContact CZ2-CG2 3.77Å; W340-V439 HydrophobicContact CZ3-CG2 3.74Å; W340-I479 HydrophobicContact CH2-CD1 3.75Å; W340-I479 HydrophobicContact CZ3-CD1 3.89Å; W340-T643 HydrophobicContact CH2-CG2 3.92Å; W340-T643 HydrophobicContact CZ2-CG2 3.96Å; W340-A646 HydrophobicContact CD2-CB 4.01Å; W340-A646 HydrophobicContact CG-CB 4.21Å; W340-A646 HydrophobicContact CZ2-CB 4.17Å; W340-E647 PolarHBondContact NE1-OE2 3.31Å
341	L	93.2	Very high	90.1	Very high	65 Å²	65	59.4 Å²	59.4	34%	0.34	37%	0.367	S	S	.	.			trans	-88.5	133.1	169.1	-56.8	-176	0	0	0	109.9	E330 S343	E330-L341 HydrophobicContact CB-CB 4.14Å; E330-L341 HydrophobicContact CB-CD1 4.11Å; E330-L341 HydrophobicContact CB-CG 4.41Å; E330-L341 PolarHBondContact O-N 3.36Å; L341-S343 PolarHBondContact O-N 3.07Å
342	S	80.2	Confident	89.9	Confident	82 Å²	82	59.9 Å²	59.9	57%	0.573	37%	0.372	S	S	*	.			trans	-87.3	91.2	-179.8	-167.9	0	0	0	0	110.7	A344	S342-A344 VanDerWaalsContact C-N 3.3Å; S342-A344 PolarHBondContact OG-O 3.04Å; S342-A344 VanDerWaalsContact OG-O 3.04Å
343	S	67.8	Low	89.8	Confident	77 Å²	77	61.9 Å²	61.9	54%	0.538	38%	0.384	S	S	.	.			trans	-69.7	-22.7	174.4	43.5	0	0	0	0	114	L341 Q442	L341-S343 PolarHBondContact O-N 3.07Å; S343-Q442 PolarHBondContact OG-NE2 2.67Å; S343-Q442 PolarHBondContact OG-OE1 3.07Å
344	A	74.8	Confident	89.8	Confident	35 Å²	35	59.4 Å²	59.4	29%	0.289	38%	0.377	S	S	.	.	S	Bend	trans	-102.6	155	177.9	0	0	0	0	0	113.2	S342 Q442	S342-A344 VanDerWaalsContact C-N 3.3Å; S342-A344 PolarHBondContact OG-O 3.04Å; S342-A344 VanDerWaalsContact OG-O 3.04Å; A344-Q442 HydrophobicContact CB-CG 3.71Å
345	Q	85.1	Confident	90.1	Very high	180 Å²	180	63.3 Å²	63.3	84%	0.841	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-68.4	128.5	167.7	-177	177.8	7.7	0	0	110
346	A	91.1	Very high	90.5	Very high	92 Å²	92	64.4 Å²	64.4	76%	0.76	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-61.7	138.8	178.2	0	0	0	0	0	112.2
347	Y	94.5	Very high	90.9	Very high	30 Å²	30	60.1 Å²	60.1	12%	0.118	35%	0.353	C	S	.	.			trans	-142.8	169.5	-179.2	67.2	-93.1	0	0	0	111.1	F375 C435 S441 W446 L450	Y347-F375 HydrophobicContact CD1-CD1 4.06Å; Y347-F375 HydrophobicContact CD1-CE1 4.4Å; Y347-F375 AromaticContact CD2-CD1 3.54Å; Y347-F375 HydrophobicContact CD2-CD1 3.54Å; Y347-F375 AromaticContact CD2-CE1 3.7Å; Y347-F375 HydrophobicContact CD2-CE1 3.7Å; Y347-F375 HydrophobicContact CE1-CD1 4.46Å; Y347-F375 HydrophobicContact CE1-CE1 4.35Å; Y347-F375 AromaticContact CE2-CD1 3.99Å; Y347-F375 HydrophobicContact CE2-CD1 3.99Å; Y347-F375 AromaticContact CE2-CE1 3.64Å; Y347-F375 HydrophobicContact CE2-CE1 3.64Å; Y347-F375 AromaticContact CG-CD1 3.58Å; Y347-F375 HydrophobicContact CG-CD1 3.58Å; Y347-F375 HydrophobicContact CG-CE1 4.09Å; Y347-F375 AromaticContact CZ-CE1 3.98Å; Y347-C435 HydrophobicContact CE2-CB 4.4Å; Y347-C435 WeakPolarHBondContact CE2-SG 3.29Å; Y347-S441 PolarHBondContact OH-O 3.32Å; Y347-W446 AromaticContact CZ-NE1 3.96Å; Y347-W446 PolarHBondContact OH-NE1 2.95Å; Y347-L450 HydrophobicContact CE2-CD1 3.91Å
348	S	95.4	Very high	90.7	Very high	72 Å²	72	60.9 Å²	60.9	50%	0.503	35%	0.352	S	S	.	.			trans	-123.7	169.2	172.7	66	0	0	0	0	110.9	P373 S374	S348-P373 CarbonylContact O-C 3.55Å; S348-P373 WeakPolarHBondContact O-CA 3.42Å; S348-S374 PolarHBondContact N-OG 3.21Å; S348-S374 PolarHBondContact O-N 3.42Å; S348-S374 PolarHBondContact O-OG 3.25Å
349	C	96.6	Very high	89.9	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.027	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.3	169.8	-177.5	0	0	0	0	109.9	M372 P373 Q428 V431 L450	C349-M372 WeakPolarHBondContact CA-O 3.23Å; C349-P373 HydrophobicContact CB-CB 4.25Å; C349-Q428 PolarHBondContact O-NE2 3.38Å; C349-V431 HydrophobicContact CB-CG1 3.6Å; C349-V431 WeakPolarHBondContact O-CG1 3.41Å; C349-L450 HydrophobicContact CB-CD2 4.28Å
350	Q	97.3	Very high	89.2	Confident	105 Å²	105	63.1 Å²	63.1	49%	0.491	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.1	176.5	-169.7	179	1.9	0	0	110.2	A352 L371 M372	Q350-A352 HydrophobicContact CG-CB 4.3Å; Q350-L371 WeakPolarHBondContact O-CA 3.41Å; Q350-M372 HydrophobicContact CB-CB 4.44Å; Q350-M372 PolarHBondContact N-O 2.98Å; Q350-M372 PolarHBondContact O-N 2.93Å
351	V	97.3	Very high	88.4	Confident	7 Å²	7	73 Å²	73	4%	0.042	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	167.8	-171.2	0	0	0	0	107.3	Y369 Q370 L371 M424 L427 Q428 V431	V351-Y369 HydrophobicContact CG1-CD1 4.4Å; V351-Y369 HydrophobicContact CG1-CG 4.31Å; V351-Q370 WeakPolarHBondContact CA-O 3.44Å; V351-L371 HydrophobicContact CG2-CD2 3.85Å; V351-M424 HydrophobicContact CG1-CG 4.08Å; V351-L427 HydrophobicContact CG1-CB 4.25Å; V351-Q428 HydrophobicContact CB-CB 4.15Å; V351-Q428 HydrophobicContact CG2-CB 4.24Å; V351-V431 HydrophobicContact CG2-CB 3.86Å; V351-V431 HydrophobicContact CG2-CG1 4.15Å; V351-V431 HydrophobicContact CG2-CG2 3.65Å
352	A	94.4	Very high	87.6	Confident	16 Å²	16	72 Å²	72	13%	0.132	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-177.7	-172.7	0	0	0	0	0	112.5	Q350 Q370	Q350-A352 HydrophobicContact CG-CB 4.3Å; A352-Q370 PolarHBondContact N-O 2.89Å; A352-Q370 PolarHBondContact O-N 2.88Å
353	S	91.1	Very high	87.8	Confident	50 Å²	50	75.3 Å²	75.3	35%	0.35	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.5	64.7	167	-51.7	0	0	0	0	114.1	Q355 Q370	S353-Q355 PolarHBondContact O-N 3.45Å; S353-Q355 VanDerWaalsContact O-N 3.15Å; S353-Q370 PolarHBondContact OG-OE1 2.75Å
354	P	92.5	Very high	88.6	Confident	48 Å²	48	76.3 Å²	76.3	31%	0.312	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	112.9	179.1	29	-31.9	0	0	0	109.8	M367 T368 Y369 V420 M424	P354-M367 HydrophobicContact CB-CE 4.25Å; P354-T368 WeakPolarHBondContact CA-O 3.29Å; P354-Y369 HydrophobicContact CB-CD1 4.1Å; P354-Y369 HydrophobicContact CB-CE1 4.02Å; P354-V420 HydrophobicContact CB-CG1 3.47Å; P354-V420 VanDerWaalsContact CB-CG1 3.47Å; P354-V420 HydrophobicContact CG-CG1 3.94Å; P354-M424 HydrophobicContact CB-SD 4.45Å; P354-M424 HydrophobicContact CG-SD 4.03Å
355	Q	93	Very high	89.3	Confident	105 Å²	105	75.7 Å²	75.7	49%	0.491	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.3	-174.9	-72.4	176.2	2.2	0	0	111.7	S353 A357 M367 T368	S353-Q355 PolarHBondContact O-N 3.45Å; S353-Q355 VanDerWaalsContact O-N 3.15Å; Q355-A357 PolarHBondContact O-N 3.11Å; Q355-M367 CarbonylContact O-C 3.47Å; Q355-M367 WeakPolarHBondContact O-CA 3.28Å; Q355-T368 PolarHBondContact N-O 3.3Å; Q355-T368 PolarHBondContact O-N 2.59Å; Q355-T368 PolarHBondContact O-OG1 3.03Å
356	K	93	Very high	89.6	Confident	134 Å²	134	67.7 Å²	67.7	58%	0.583	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	91.1	176.1	-173.2	179.7	178	-179.2	0	110.6	M367 Y415	K356-M367 HydrophobicContact CB-CE 4.43Å; K356-M367 HydrophobicContact CB-SD 3.78Å; K356-M367 HydrophobicContact CG-SD 4.19Å; K356-Y415 HydrophobicContact CD-CD1 4.35Å; K356-Y415 HydrophobicContact CD-CE1 4.41Å; K356-Y415 HydrophobicContact CG-CD1 4.46Å; K356-Y415 HydrophobicContact CG-CE1 4.3Å
357	A	90.5	Very high	89.8	Confident	18 Å²	18	64.7 Å²	64.7	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	163.4	170.6	0	0	0	0	0	111.5	Q355 S365 F366 T368	Q355-A357 PolarHBondContact O-N 3.11Å; A357-S365 CarbonylContact O-C 3.57Å; A357-S365 VanDerWaalsContact O-CA 3.31Å; A357-S365 WeakPolarHBondContact O-CA 3.24Å; A357-F366 HydrophobicContact CB-CD2 4.09Å; A357-F366 HydrophobicContact CB-CE1 4.45Å; A357-F366 HydrophobicContact CB-CE2 3.67Å; A357-F366 HydrophobicContact CB-CZ 3.87Å; A357-F366 PolarHBondContact N-O 2.89Å; A357-F366 PolarHBondContact O-N 2.94Å; A357-F366 VanDerWaalsContact O-O 3.08Å; A357-T368 HydrophobicContact CB-CG2 3.92Å
358	S	88.5	Confident	89.9	Confident	51 Å²	51	63.7 Å²	63.7	36%	0.357	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.3	175.3	-60.5	0	0	0	0	113.3	S365	S358-S365 PolarHBondContact OG-OG 3.18Å
359	K	79.2	Confident	90	Very high	40 Å²	40	60.3 Å²	60.3	17%	0.174	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	158.9	169.2	161.1	158.2	-149.3	172.5	0	109.9	W153 S154 D155 G362 L363 K364 F366	W153-K359 PolarHBondContact O-NZ 3.18Å; S154-K359 WeakPolarHBondContact O-CE 3.27Å; S154-K359 PolarHBondContact O-NZ 3.4Å; D155-K359 HydrophobicContact CB-CD 4.21Å; D155-K359 VanDerWaalsContact CG-CD 3.43Å; D155-K359 VanDerWaalsContact CG-CE 3.42Å; D155-K359 WeakPolarHBondContact OD1-CB 3.47Å; D155-K359 WeakPolarHBondContact OD1-CD 3.29Å; D155-K359 WeakPolarHBondContact OD1-CE 3.21Å; D155-K359 WeakPolarHBondContact OD1-CG 3.47Å; D155-K359 VanDerWaalsContact OD2-CD 3.28Å; D155-K359 WeakPolarHBondContact OD2-CD 3.21Å; K359-G362 PolarHBondContact O-N 3.4Å; K359-L363 PolarHBondContact O-N 3.02Å; K359-K364 HydrophobicContact CB-CB 4.25Å; K359-K364 HydrophobicContact CG-CB 4.42Å; K359-K364 PolarHBondContact N-O 3.05Å; K359-K364 PolarHBondContact O-N 3.03Å; K359-K364 VanDerWaalsContact O-N 3.1Å; K359-F366 HydrophobicContact CB-CE1 3.91Å
360	L	81.6	Confident	90	Very high	97 Å²	97	61.9 Å²	61.9	51%	0.508	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	56.4	56.8	171.7	-71.3	161.7	0	0	0	112.8	G362 L363	L360-G362 PolarHBondContact O-N 2.91Å; L360-L363 HydrophobicContact CB-CB 4.07Å; L360-L363 VanDerWaalsContact O-CB 3.27Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 PolarHBondContact O-N 3.24Å
361	K	78.2	Confident	90	Very high	226 Å²	226	56.9 Å²	56.9	98%	0.983	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	52.4	30	177.3	-58.5	-176.9	179.2	178.9	0	114.7
362	G	78.3	Confident	90	Very high	42 Å²	42	59.6 Å²	59.6	43%	0.433	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	106.6	-16.6	-179.8	0	0	0	0	0	114.8	K359 L360 K364	K359-G362 PolarHBondContact O-N 3.4Å; L360-G362 PolarHBondContact O-N 2.91Å; G362-K364 VanDerWaalsContact C-N 3.28Å; G362-K364 PolarHBondContact O-N 3.45Å
363	L	82.6	Confident	90	Very high	152 Å²	152	58.9 Å²	58.9	80%	0.796	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.2	-174.1	-173.1	64.1	0	0	0	113.7	K359 L360	K359-L363 PolarHBondContact O-N 3.02Å; L360-L363 HydrophobicContact CB-CB 4.07Å; L360-L363 VanDerWaalsContact O-CB 3.27Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 PolarHBondContact O-N 3.24Å
364	K	84.6	Confident	90.2	Very high	99 Å²	99	60.1 Å²	60.1	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	76.8	-174.6	-158.1	164.5	-173.1	170.4	0	110.8	D150 K359 G362 F366	D150-K364 IonicContact OD2-NZ 3.6Å; K359-K364 HydrophobicContact CB-CB 4.25Å; K359-K364 HydrophobicContact CG-CB 4.42Å; K359-K364 PolarHBondContact N-O 3.05Å; K359-K364 PolarHBondContact O-N 3.03Å; K359-K364 VanDerWaalsContact O-N 3.1Å; G362-K364 VanDerWaalsContact C-N 3.28Å; G362-K364 PolarHBondContact O-N 3.45Å; K364-F366 WeakPolarHBondContact O-CD1 3.36Å
365	S	90	Very high	90.1	Very high	22 Å²	22	62.2 Å²	62.2	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.7	173.2	-59	0	0	0	0	113.8	A357 S358 R414 Y415	A357-S365 CarbonylContact O-C 3.57Å; A357-S365 VanDerWaalsContact O-CA 3.31Å; A357-S365 WeakPolarHBondContact O-CA 3.24Å; S358-S365 PolarHBondContact OG-OG 3.18Å; S365-R414 PolarHBondContact O-NH1 2.87Å; S365-Y415 VanDerWaalsContact C-OH 3.29Å; S365-Y415 VanDerWaalsContact CB-OH 3.27Å; S365-Y415 WeakPolarHBondContact CB-OH 3.14Å; S365-Y415 PolarHBondContact O-OH 3.06Å
366	F	92.6	Very high	89.6	Confident	12 Å²	12	58.8 Å²	58.8	5%	0.053	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	153.8	177.8	55	-87.5	0	0	0	111.5	A357 K359 K364 T368 R383	A357-F366 HydrophobicContact CB-CD2 4.09Å; A357-F366 HydrophobicContact CB-CE1 4.45Å; A357-F366 HydrophobicContact CB-CE2 3.67Å; A357-F366 HydrophobicContact CB-CZ 3.87Å; A357-F366 PolarHBondContact N-O 2.89Å; A357-F366 PolarHBondContact O-N 2.94Å; A357-F366 VanDerWaalsContact O-O 3.08Å; K359-F366 HydrophobicContact CB-CE1 3.91Å; K364-F366 WeakPolarHBondContact O-CD1 3.36Å; F366-T368 HydrophobicContact CD2-CG2 3.83Å; F366-T368 HydrophobicContact CE2-CG2 3.53Å; F366-R383 HydrophobicContact CD2-CB 3.58Å; F366-R383 HydrophobicContact CD2-CG 4.3Å; F366-R383 HydrophobicContact CE2-CB 3.96Å; F366-R383 HydrophobicContact CE2-CG 4.41Å; F366-R383 VanDerWaalsContact CG-NH1 3.35Å
367	M	95	Very high	89.1	Confident	29 Å²	29	56.3 Å²	56.3	14%	0.143	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	137.1	172.3	-59.9	-52	-71	0	0	111.1	P354 Q355 K356 R383 Y415 V420	P354-M367 HydrophobicContact CB-CE 4.25Å; Q355-M367 CarbonylContact O-C 3.47Å; Q355-M367 WeakPolarHBondContact O-CA 3.28Å; K356-M367 HydrophobicContact CB-CE 4.43Å; K356-M367 HydrophobicContact CB-SD 3.78Å; K356-M367 HydrophobicContact CG-SD 4.19Å; M367-R383 WeakPolarHBondContact O-CA 3.45Å; M367-R383 WeakPolarHBondContact O-CB 3.21Å; M367-Y415 HydrophobicContact CG-CD1 4.12Å; M367-Y415 HydrophobicContact SD-CD1 3.81Å; M367-Y415 HydrophobicContact SD-CE1 4.37Å; M367-V420 HydrophobicContact CE-CG1 3.99Å; M367-V420 HydrophobicContact CE-CG2 4.29Å; M367-V420 HydrophobicContact CG-CG2 4.14Å
368	T	95.9	Very high	88.9	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.1	169.4	46.8	0	0	0	0	110.2	P354 Q355 A357 F366 R382 R383	P354-T368 WeakPolarHBondContact CA-O 3.29Å; Q355-T368 PolarHBondContact N-O 3.3Å; Q355-T368 PolarHBondContact O-N 2.59Å; Q355-T368 PolarHBondContact O-OG1 3.03Å; A357-T368 HydrophobicContact CB-CG2 3.92Å; F366-T368 HydrophobicContact CD2-CG2 3.83Å; F366-T368 HydrophobicContact CE2-CG2 3.53Å; T368-R382 WeakPolarHBondContact CA-O 3.48Å; T368-R383 HydrophobicContact CG2-CB 4.18Å
369	Y	97.5	Very high	89	Confident	1 Å²	1	61 Å²	61	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.1	173.4	-52.8	-84.9	0	0	0	108.8	V351 P354 C381 R382 F387 R423 M424 L427	V351-Y369 HydrophobicContact CG1-CD1 4.4Å; V351-Y369 HydrophobicContact CG1-CG 4.31Å; P354-Y369 HydrophobicContact CB-CD1 4.1Å; P354-Y369 HydrophobicContact CB-CE1 4.02Å; Y369-C381 WeakPolarHBondContact O-CA 3.32Å; Y369-R382 PolarHBondContact N-O 2.97Å; Y369-R382 PolarHBondContact O-N 3.43Å; Y369-F387 HydrophobicContact CD2-CE2 4.16Å; Y369-R423 WeakPolarHBondContact OH-CD 3.23Å; Y369-M424 HydrophobicContact CD1-CB 4.19Å; Y369-M424 HydrophobicContact CD1-CG 4.08Å; Y369-M424 HydrophobicContact CE1-CB 3.91Å; Y369-M424 HydrophobicContact CE1-CG 4.32Å; Y369-L427 HydrophobicContact CD1-CD1 4.45Å; Y369-L427 HydrophobicContact CD2-CD1 3.65Å; Y369-L427 HydrophobicContact CE1-CD1 4.32Å; Y369-L427 HydrophobicContact CE2-CD1 3.51Å; Y369-L427 HydrophobicContact CG-CD1 4.14Å
370	Q	97.1	Very high	89.8	Confident	38 Å²	38	59.3 Å²	59.3	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.8	174.4	-172.8	-178.3	19.8	0	0	108.8	V351 A352 S353 Q379	V351-Q370 WeakPolarHBondContact CA-O 3.44Å; A352-Q370 PolarHBondContact N-O 2.89Å; A352-Q370 PolarHBondContact O-N 2.88Å; S353-Q370 PolarHBondContact OG-OE1 2.75Å; Q370-Q379 HydrophobicContact CG-CB 4.5Å
371	L	97.8	Very high	90.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131	173.4	-71.1	161.7	0	0	0	109.6	Q350 V351 Q379 V380 R382 F387 V431 F449	Q350-L371 WeakPolarHBondContact O-CA 3.41Å; V351-L371 HydrophobicContact CG2-CD2 3.85Å; L371-Q379 WeakPolarHBondContact O-CA 3.4Å; L371-V380 HydrophobicContact CB-CG2 3.88Å; L371-V380 HydrophobicContact CD1-CG2 4.16Å; L371-V380 PolarHBondContact N-O 2.74Å; L371-V380 PolarHBondContact O-N 2.9Å; L371-V380 VanDerWaalsContact O-N 3.11Å; L371-R382 HydrophobicContact CD1-CB 4.03Å; L371-R382 HydrophobicContact CD1-CG 3.48Å; L371-R382 VanDerWaalsContact CD1-CG 3.48Å; L371-F387 HydrophobicContact CD1-CE1 4.33Å; L371-F387 HydrophobicContact CD1-CZ 3.96Å; L371-F387 HydrophobicContact CD2-CE1 4.25Å; L371-F387 HydrophobicContact CD2-CZ 4.09Å; L371-F387 HydrophobicContact CG-CZ 4.23Å; L371-V431 HydrophobicContact CD2-CG2 4.11Å; L371-F449 HydrophobicContact CD1-CD1 4.06Å; L371-F449 HydrophobicContact CD1-CE1 3.33Å; L371-F449 HydrophobicContact CD1-CZ 3.89Å
372	M	95.7	Very high	91.3	Very high	64 Å²	64	46.8 Å²	46.8	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	90.9	179.3	-163.6	178.1	-31.5	0	0	110.1	C349 Q350 Q379	C349-M372 WeakPolarHBondContact CA-O 3.23Å; Q350-M372 HydrophobicContact CB-CB 4.44Å; Q350-M372 PolarHBondContact N-O 2.98Å; Q350-M372 PolarHBondContact O-N 2.93Å; M372-Q379 HydrophobicContact CB-CG 4.37Å; M372-Q379 HydrophobicContact CE-CG 4.27Å; M372-Q379 HydrophobicContact CG-CG 3.92Å; M372-Q379 HydrophobicContact SD-CG 4.34Å
373	P	95.8	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.5	176.9	28.5	-33.5	0	0	0	112.1	S348 C349 F375 S376 L450	S348-P373 CarbonylContact O-C 3.55Å; S348-P373 WeakPolarHBondContact O-CA 3.42Å; C349-P373 HydrophobicContact CB-CB 4.25Å; P373-F375 HydrophobicContact CB-CD1 3.94Å; P373-F375 HydrophobicContact CB-CE1 3.55Å; P373-F375 HydrophobicContact CB-CZ 3.97Å; P373-F375 HydrophobicContact CG-CE1 4.3Å; P373-F375 HydrophobicContact CG-CZ 4.22Å; P373-F375 PolarHBondContact O-N 2.89Å; P373-S376 PolarHBondContact O-N 3.24Å; P373-S376 VanDerWaalsContact O-N 3.08Å; P373-L450 HydrophobicContact CB-CD1 4.22Å; P373-L450 HydrophobicContact CG-CB 4.44Å
374	S	93.9	Very high	92.8	Very high	77 Å²	77	41.7 Å²	41.7	54%	0.538	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16	-169.6	71.2	0	0	0	0	115.2	S348 S376	S348-S374 PolarHBondContact N-OG 3.21Å; S348-S374 PolarHBondContact O-N 3.42Å; S348-S374 PolarHBondContact O-OG 3.25Å; S374-S376 VanDerWaalsContact C-N 3.33Å
375	F	90.5	Very high	93.3	Very high	92 Å²	92	43.8 Å²	43.8	40%	0.404	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.5	177.4	66.3	-100.6	0	0	0	113.6	Y347 P373 M447 L450 T451	Y347-F375 HydrophobicContact CD1-CD1 4.06Å; Y347-F375 HydrophobicContact CD1-CE1 4.4Å; Y347-F375 AromaticContact CD2-CD1 3.54Å; Y347-F375 HydrophobicContact CD2-CD1 3.54Å; Y347-F375 AromaticContact CD2-CE1 3.7Å; Y347-F375 HydrophobicContact CD2-CE1 3.7Å; Y347-F375 HydrophobicContact CE1-CD1 4.46Å; Y347-F375 HydrophobicContact CE1-CE1 4.35Å; Y347-F375 AromaticContact CE2-CD1 3.99Å; Y347-F375 HydrophobicContact CE2-CD1 3.99Å; Y347-F375 AromaticContact CE2-CE1 3.64Å; Y347-F375 HydrophobicContact CE2-CE1 3.64Å; Y347-F375 AromaticContact CG-CD1 3.58Å; Y347-F375 HydrophobicContact CG-CD1 3.58Å; Y347-F375 HydrophobicContact CG-CE1 4.09Å; Y347-F375 AromaticContact CZ-CE1 3.98Å; P373-F375 HydrophobicContact CB-CD1 3.94Å; P373-F375 HydrophobicContact CB-CE1 3.55Å; P373-F375 HydrophobicContact CB-CZ 3.97Å; P373-F375 HydrophobicContact CG-CE1 4.3Å; P373-F375 HydrophobicContact CG-CZ 4.22Å; P373-F375 PolarHBondContact O-N 2.89Å; F375-M447 HydrophobicContact CE1-CE 4.21Å; F375-M447 HydrophobicContact CE2-CE 4.14Å; F375-M447 HydrophobicContact CZ-CE 3.62Å; F375-M447 HydrophobicContact CZ-SD 4.4Å; F375-L450 HydrophobicContact CE1-CD1 4.24Å; F375-T451 HydrophobicContact CE2-CG2 4.07Å; F375-T451 HydrophobicContact CZ-CG2 4.01Å
376	S	83.3	Confident	93.7	Very high	32 Å²	32	45 Å²	45	22%	0.224	24%	0.244	C	C	.	.			trans	-145.9	155.2	-177	82.2	0	0	0	0	113.2	P373 S374 I378	P373-S376 PolarHBondContact O-N 3.24Å; P373-S376 VanDerWaalsContact O-N 3.08Å; S374-S376 VanDerWaalsContact C-N 3.33Å; S376-I378 PolarHBondContact O-N 3.05Å; S376-I378 WeakPolarHBondContact OG-CB 3.42Å; S376-I378 PolarHBondContact OG-N 2.95Å; S376-I378 VanDerWaalsContact OG-N 3.13Å
377	G	82	Confident	93.9	Very high	82 Å²	82	44.5 Å²	44.5	85%	0.845	24%	0.242	S	C	*	.	S	Bend	trans	-78.4	7.5	165.2	0	0	0	0	0	114.1
378	I	87.2	Confident	94.1	Very high	71 Å²	71	44 Å²	44	36%	0.364	24%	0.24	S	C	.	.			trans	-82.8	134.3	-178.4	-57.6	173.4	0	0	0	108.8	S376 V380 T453	S376-I378 PolarHBondContact O-N 3.05Å; S376-I378 WeakPolarHBondContact OG-CB 3.42Å; S376-I378 PolarHBondContact OG-N 2.95Å; S376-I378 VanDerWaalsContact OG-N 3.13Å; I378-V380 HydrophobicContact CG2-CG1 4.12Å; I378-T453 HydrophobicContact CG2-CG2 3.65Å
379	Q	91.1	Very high	94.1	Very high	97 Å²	97	44.4 Å²	44.4	45%	0.453	24%	0.24	S	C	.	.			trans	-119.7	136.9	173.2	-66.7	168.6	1.9	0	0	108.5	Q370 L371 M372	Q370-Q379 HydrophobicContact CG-CB 4.5Å; L371-Q379 WeakPolarHBondContact O-CA 3.4Å; M372-Q379 HydrophobicContact CB-CG 4.37Å; M372-Q379 HydrophobicContact CE-CG 4.27Å; M372-Q379 HydrophobicContact CG-CG 3.92Å; M372-Q379 HydrophobicContact SD-CG 4.34Å
380	V	95	Very high	94.2	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.8	177.5	-59.8	0	0	0	0	111.3	L371 I378 R382 L450 T453	L371-V380 HydrophobicContact CB-CG2 3.88Å; L371-V380 HydrophobicContact CD1-CG2 4.16Å; L371-V380 PolarHBondContact N-O 2.74Å; L371-V380 PolarHBondContact O-N 2.9Å; L371-V380 VanDerWaalsContact O-N 3.11Å; I378-V380 HydrophobicContact CG2-CG1 4.12Å; V380-R382 HydrophobicContact CG2-CG 4.38Å; V380-L450 WeakPolarHBondContact CG1-O 3.21Å; V380-L450 WeakPolarHBondContact CG2-O 3.35Å; V380-T453 HydrophobicContact CG1-CG2 4Å
381	C	95.8	Very high	94.2	Very high	41 Å²	41	44.1 Å²	44.1	28%	0.277	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.7	173.8	-66.3	0	0	0	0	110.3	Y369	Y369-C381 WeakPolarHBondContact O-CA 3.32Å
382	R	96.7	Very high	94.1	Very high	18 Å²	18	48.7 Å²	48.7	7%	0.068	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.9	177.6	-60.3	-65.3	177.9	-116.1	5.9	110.4	T368 Y369 L371 V380 H386 F387 F449 C452	T368-R382 WeakPolarHBondContact CA-O 3.48Å; Y369-R382 PolarHBondContact N-O 2.97Å; Y369-R382 PolarHBondContact O-N 3.43Å; L371-R382 HydrophobicContact CD1-CB 4.03Å; L371-R382 HydrophobicContact CD1-CG 3.48Å; L371-R382 VanDerWaalsContact CD1-CG 3.48Å; V380-R382 HydrophobicContact CG2-CG 4.38Å; R382-H386 HydrophobicContact CB-CB 4.24Å; R382-F387 HydrophobicContact CB-CD2 4.3Å; R382-F387 HydrophobicContact CB-CE2 3.72Å; R382-F387 HydrophobicContact CB-CZ 4.25Å; R382-F449 HydrophobicContact CB-CE2 4.27Å; R382-F449 HydrophobicContact CB-CZ 3.98Å; R382-F449 HydrophobicContact CG-CE1 4.21Å; R382-F449 HydrophobicContact CG-CE2 3.9Å; R382-F449 HydrophobicContact CG-CZ 3.72Å; R382-F449 VanDerWaalsContact CZ-O 3.26Å; R382-F449 PolarHBondContact NE-O 3.41Å; R382-F449 PolarHBondContact NH2-O 3.37Å; R382-C452 PolarHBondContact NH1-O 2.9Å; R382-C452 PolarHBondContact NH2-O 2.92Å
383	R	95.6	Very high	94.2	Very high	57 Å²	57	47.2 Å²	47.2	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	160.2	170.9	61.5	-178.5	-70.1	161.2	-1	110.6	F366 M367 T368 K385 H386	F366-R383 HydrophobicContact CD2-CB 3.58Å; F366-R383 HydrophobicContact CD2-CG 4.3Å; F366-R383 HydrophobicContact CE2-CB 3.96Å; F366-R383 HydrophobicContact CE2-CG 4.41Å; F366-R383 VanDerWaalsContact CG-NH1 3.35Å; M367-R383 WeakPolarHBondContact O-CA 3.45Å; M367-R383 WeakPolarHBondContact O-CB 3.21Å; T368-R383 HydrophobicContact CG2-CB 4.18Å; R383-K385 VanDerWaalsContact C-N 3.28Å; R383-K385 HydrophobicContact CG-CB 4.46Å; R383-K385 PolarHBondContact O-N 3.26Å; R383-K385 VanDerWaalsContact O-N 3.15Å; R383-H386 VanDerWaalsContact CG-CD2 3.46Å; R383-H386 WeakPolarHBondContact CG-CD2 3.48Å; R383-H386 WeakPolarHBondContact O-CB 3.32Å; R383-H386 PolarHBondContact O-N 3.1Å
384	Y	96.2	Very high	94.2	Very high	31 Å²	31	47.3 Å²	47.3	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-48.6	-45.2	177.8	-179.6	-86.3	0	0	0	113.1	H386 F387 D388 L406 P407 K409	Y384-H386 PolarHBondContact O-N 3.28Å; Y384-F387 WeakPolarHBondContact O-CB 3.48Å; Y384-F387 PolarHBondContact O-N 3.43Å; Y384-D388 HydrophobicContact CD1-CB 4.31Å; Y384-D388 HydrophobicContact CE1-CB 3.83Å; Y384-D388 WeakPolarHBondContact O-CB 3.37Å; Y384-D388 PolarHBondContact O-N 3.26Å; Y384-L406 HydrophobicContact CE2-CB 4.48Å; Y384-L406 WeakPolarHBondContact OH-CB 3.4Å; Y384-P407 HydrophobicContact CE2-CG 4.26Å; Y384-P407 WeakPolarHBondContact CE2-O 3.45Å; Y384-P407 PolarHBondContact OH-O 3.32Å; Y384-P407 VanDerWaalsContact OH-O 3.08Å; Y384-K409 HydrophobicContact CE1-CG 3.86Å
385	K	95.2	Very high	94.2	Very high	143 Å²	143	47.7 Å²	47.7	62%	0.622	25%	0.248	S	C	*	.	H	α-helix	trans	-57.6	-20.2	177	-171	171	-178.7	179.8	0	114.2	R383 W389	R383-K385 VanDerWaalsContact C-N 3.28Å; R383-K385 HydrophobicContact CG-CB 4.46Å; R383-K385 PolarHBondContact O-N 3.26Å; R383-K385 VanDerWaalsContact O-N 3.15Å; K385-W389 WeakPolarHBondContact O-CB 3.43Å; K385-W389 PolarHBondContact O-N 2.88Å; K385-W389 VanDerWaalsContact O-N 3.16Å
386	H	97.3	Very high	94.3	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.222	24%	0.241	C	C	.	.	H	α-helix	trans	-80.8	-37.7	174.3	-60.9	-179.6	0	0	0	111.8	R382 R383 Y384 D388 L390 F449 W458	R382-H386 HydrophobicContact CB-CB 4.24Å; R383-H386 VanDerWaalsContact CG-CD2 3.46Å; R383-H386 WeakPolarHBondContact CG-CD2 3.48Å; R383-H386 WeakPolarHBondContact O-CB 3.32Å; R383-H386 PolarHBondContact O-N 3.1Å; Y384-H386 PolarHBondContact O-N 3.28Å; H386-D388 VanDerWaalsContact C-N 3.35Å; H386-L390 WeakPolarHBondContact O-CB 3.16Å; H386-L390 PolarHBondContact O-N 3.49Å; H386-L390 VanDerWaalsContact O-N 3.12Å; H386-F449 HydrophobicContact CB-CE2 3.93Å; H386-F449 WeakPolarHBondContact O-CE2 3.49Å; H386-W458 HydrophobicContact CB-CZ2 4.24Å; H386-W458 AromaticContact CE1-NE1 3.94Å; H386-W458 AromaticContact ND1-CZ2 3.97Å
387	F	98.2	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-44.5	171.3	-68	-94.3	0	0	0	110.2	Y369 L371 R382 Y384 L390 H391 L406 L427 W430 V431 F449	Y369-F387 HydrophobicContact CD2-CE2 4.16Å; L371-F387 HydrophobicContact CD1-CE1 4.33Å; L371-F387 HydrophobicContact CD1-CZ 3.96Å; L371-F387 HydrophobicContact CD2-CE1 4.25Å; L371-F387 HydrophobicContact CD2-CZ 4.09Å; L371-F387 HydrophobicContact CG-CZ 4.23Å; R382-F387 HydrophobicContact CB-CD2 4.3Å; R382-F387 HydrophobicContact CB-CE2 3.72Å; R382-F387 HydrophobicContact CB-CZ 4.25Å; Y384-F387 WeakPolarHBondContact O-CB 3.48Å; Y384-F387 PolarHBondContact O-N 3.43Å; F387-L390 WeakPolarHBondContact O-CB 3.31Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.15Å; F387-H391 WeakPolarHBondContact O-CB 3.3Å; F387-H391 PolarHBondContact O-N 3.23Å; F387-L406 HydrophobicContact CB-CD1 4.22Å; F387-L406 HydrophobicContact CB-CD2 4.16Å; F387-L427 HydrophobicContact CB-CD2 4.26Å; F387-L427 HydrophobicContact CD1-CD2 3.85Å; F387-L427 HydrophobicContact CD2-CD2 4.32Å; F387-L427 HydrophobicContact CE1-CD2 4.22Å; F387-L427 HydrophobicContact CE2-CD1 4.37Å; F387-L427 HydrophobicContact CG-CD2 3.9Å; F387-W430 HydrophobicContact CD1-CE3 4.23Å; F387-W430 HydrophobicContact CD1-CZ3 4.09Å; F387-V431 HydrophobicContact CE1-CG2 3.89Å; F387-F449 HydrophobicContact CD1-CE1 4.09Å; F387-F449 AromaticContact CD1-CZ 3.59Å; F387-F449 HydrophobicContact CD1-CZ 3.59Å; F387-F449 HydrophobicContact CD2-CZ 4.09Å; F387-F449 AromaticContact CE1-CE1 3.89Å; F387-F449 HydrophobicContact CE1-CE1 3.89Å; F387-F449 AromaticContact CE1-CZ 3.68Å; F387-F449 HydrophobicContact CE1-CZ 3.68Å; F387-F449 HydrophobicContact CE2-CZ 4.17Å; F387-F449 AromaticContact CG-CZ 3.81Å; F387-F449 HydrophobicContact CG-CZ 3.81Å; F387-F449 HydrophobicContact CZ-CE1 4.37Å; F387-F449 AromaticContact CZ-CZ 3.98Å; F387-F449 HydrophobicContact CZ-CZ 3.98Å
388	D	97.5	Very high	95.5	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-51.7	-56.1	175.5	-163.9	47.4	0	0	0	112.3	Y384 H386 L390 H391 E392 K409	Y384-D388 HydrophobicContact CD1-CB 4.31Å; Y384-D388 HydrophobicContact CE1-CB 3.83Å; Y384-D388 WeakPolarHBondContact O-CB 3.37Å; Y384-D388 PolarHBondContact O-N 3.26Å; H386-D388 VanDerWaalsContact C-N 3.35Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 PolarHBondContact O-N 3.42Å; D388-H391 PolarHBondContact O-N 2.67Å; D388-E392 WeakPolarHBondContact O-CG 3.25Å; D388-E392 PolarHBondContact O-N 3.27Å; D388-K409 WeakPolarHBondContact OD1-CE 3.49Å; D388-K409 IonicContact OD1-NZ 2.67Å; D388-K409 PolarHBondContact OD1-NZ 3.25Å; D388-K409 WeakPolarHBondContact OD2-CE 3.31Å; D388-K409 IonicContact OD2-NZ 3.5Å; D388-K409 PolarHBondContact OD2-NZ 3.22Å
389	W	97.8	Very high	95.3	Very high	17 Å²	17	37.3 Å²	37.3	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-43.1	174.2	164.5	78.5	0	0	0	113	K385 E392 Q393 W458 K462 A465 E466	K385-W389 WeakPolarHBondContact O-CB 3.43Å; K385-W389 PolarHBondContact O-N 2.88Å; K385-W389 VanDerWaalsContact O-N 3.16Å; W389-E392 WeakPolarHBondContact O-CB 3.41Å; W389-E392 PolarHBondContact O-N 3.44Å; W389-Q393 HydrophobicContact CD2-CG 4.17Å; W389-Q393 HydrophobicContact CH2-CG 4.13Å; W389-Q393 HydrophobicContact CZ2-CG 3.49Å; W389-Q393 VanDerWaalsContact CZ2-CG 3.49Å; W389-Q393 WeakPolarHBondContact O-CG 3.35Å; W389-Q393 PolarHBondContact O-N 3.49Å; W389-Q393 PolarHBondContact O-NE2 3.32Å; W389-W458 HydrophobicContact CE3-CH2 4.05Å; W389-W458 HydrophobicContact CE3-CZ2 4.46Å; W389-W458 AromaticContact CZ3-CH2 3.72Å; W389-W458 HydrophobicContact CZ3-CH2 3.72Å; W389-W458 HydrophobicContact CZ3-CZ2 4.49Å; W389-W458 HydrophobicContact CZ3-CZ3 4.37Å; W389-K462 HydrophobicContact CD2-CD 4.41Å; W389-K462 HydrophobicContact CD2-CG 4.33Å; W389-K462 HydrophobicContact CE3-CG 4.49Å; W389-K462 HydrophobicContact CH2-CB 4.42Å; W389-K462 HydrophobicContact CH2-CG 3.92Å; W389-K462 HydrophobicContact CZ2-CB 3.88Å; W389-K462 HydrophobicContact CZ2-CG 3.69Å; W389-K462 HydrophobicContact CZ3-CG 4.31Å; W389-A465 HydrophobicContact CH2-CB 4.36Å; W389-A465 HydrophobicContact CZ2-CB 4.16Å; W389-E466 PolarHBondContact NE1-OE1 3.15Å
390	L	98.3	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-44.9	179.9	169.9	69.3	0	0	0	110.6	H386 F387 D388 E392 Q393 L394 W430 A445 W446 F449	H386-L390 WeakPolarHBondContact O-CB 3.16Å; H386-L390 PolarHBondContact O-N 3.49Å; H386-L390 VanDerWaalsContact O-N 3.12Å; F387-L390 WeakPolarHBondContact O-CB 3.31Å; F387-L390 PolarHBondContact O-N 3.21Å; F387-L390 VanDerWaalsContact O-N 3.15Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 PolarHBondContact O-N 3.42Å; L390-E392 VanDerWaalsContact C-N 3.29Å; L390-E392 PolarHBondContact O-N 3.21Å; L390-Q393 CarbonylContact O-C 3.5Å; L390-Q393 WeakPolarHBondContact O-CA 3.39Å; L390-Q393 WeakPolarHBondContact O-CB 3.37Å; L390-Q393 PolarHBondContact O-N 3.11Å; L390-L394 HydrophobicContact CD1-CD1 4.37Å; L390-L394 HydrophobicContact CD1-CD2 4.45Å; L390-L394 HydrophobicContact CD1-CG 4.15Å; L390-L394 HydrophobicContact CG-CD1 4.11Å; L390-L394 HydrophobicContact CG-CG 4.29Å; L390-L394 WeakPolarHBondContact O-CG 3.12Å; L390-L394 PolarHBondContact O-N 3.27Å; L390-W430 HydrophobicContact CD2-CH2 3.68Å; L390-W430 HydrophobicContact CD2-CZ3 4.06Å; L390-W430 HydrophobicContact CG-CH2 4.21Å; L390-A445 HydrophobicContact CD1-CB 4.36Å; L390-W446 HydrophobicContact CD2-CE3 3.51Å; L390-W446 HydrophobicContact CD2-CZ3 3.82Å; L390-F449 HydrophobicContact CB-CD2 4.1Å; L390-F449 HydrophobicContact CB-CE2 4.31Å; L390-F449 HydrophobicContact CD1-CB 4.41Å; L390-F449 HydrophobicContact CD2-CB 4.09Å; L390-F449 HydrophobicContact CD2-CD1 3.76Å; L390-F449 HydrophobicContact CD2-CD2 3.81Å; L390-F449 HydrophobicContact CD2-CE1 4.05Å; L390-F449 HydrophobicContact CD2-CE2 4.12Å; L390-F449 HydrophobicContact CD2-CG 3.64Å; L390-F449 HydrophobicContact CD2-CZ 4.23Å; L390-F449 HydrophobicContact CG-CD2 4.45Å
391	H	97.8	Very high	95.5	Very high	32 Å²	32	32.8 Å²	32.8	15%	0.148	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-38.2	177.6	174.9	-100.7	0	0	0	111.5	F387 D388 L394 I395 P404 L406 W430	F387-H391 WeakPolarHBondContact O-CB 3.3Å; F387-H391 PolarHBondContact O-N 3.23Å; D388-H391 PolarHBondContact O-N 2.67Å; H391-L394 PolarHBondContact O-N 3.38Å; H391-I395 WeakPolarHBondContact CE1-CD1 3.41Å; H391-I395 WeakPolarHBondContact O-CB 3.31Å; H391-I395 WeakPolarHBondContact O-CG1 3.13Å; H391-I395 PolarHBondContact O-N 3.19Å; H391-P404 PolarHBondContact CD2-O 2.65Å; H391-P404 PolarHBondContact NE2-O 3.45Å; H391-L406 HydrophobicContact CB-CD1 3.45Å; H391-L406 VanDerWaalsContact CB-CD1 3.45Å; H391-L406 HydrophobicContact CB-CG 3.99Å; H391-W430 HydrophobicContact CB-CZ2 4.05Å; H391-W430 AromaticContact CD2-NE1 3.72Å
392	E	96.3	Very high	95.5	Very high	96 Å²	96	30.8 Å²	30.8	45%	0.449	15%	0.146	S	C	.	.	H	α-helix	trans	-61.2	-43.8	168.8	-69	168	170.4	0	0	112.2	D388 W389 L390 I395 A396	D388-E392 WeakPolarHBondContact O-CG 3.25Å; D388-E392 PolarHBondContact O-N 3.27Å; W389-E392 WeakPolarHBondContact O-CB 3.41Å; W389-E392 PolarHBondContact O-N 3.44Å; L390-E392 VanDerWaalsContact C-N 3.29Å; L390-E392 PolarHBondContact O-N 3.21Å; E392-I395 PolarHBondContact O-N 3.3Å; E392-A396 WeakPolarHBondContact O-CB 3.22Å; E392-A396 PolarHBondContact O-N 2.95Å
393	Q	96.5	Very high	95.6	Very high	34 Å²	34	30.3 Å²	30.3	16%	0.159	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-40.4	176.1	-59.3	-34.9	-77.1	0	0	112.3	W389 L390 A396 K397 A465	W389-Q393 HydrophobicContact CD2-CG 4.17Å; W389-Q393 HydrophobicContact CH2-CG 4.13Å; W389-Q393 HydrophobicContact CZ2-CG 3.49Å; W389-Q393 VanDerWaalsContact CZ2-CG 3.49Å; W389-Q393 WeakPolarHBondContact O-CG 3.35Å; W389-Q393 PolarHBondContact O-N 3.49Å; W389-Q393 PolarHBondContact O-NE2 3.32Å; L390-Q393 CarbonylContact O-C 3.5Å; L390-Q393 WeakPolarHBondContact O-CA 3.39Å; L390-Q393 WeakPolarHBondContact O-CB 3.37Å; L390-Q393 PolarHBondContact O-N 3.11Å; Q393-A396 PolarHBondContact O-N 2.97Å; Q393-K397 VanDerWaalsContact O-CB 3.27Å; Q393-K397 WeakPolarHBondContact O-CB 3.31Å; Q393-K397 PolarHBondContact O-N 3.47Å; Q393-A465 HydrophobicContact CG-CB 4.46Å
394	L	96.9	Very high	95.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.3	177.9	-66.7	175.4	0	0	0	110.6	L390 H391 K397 F398 I403 W430 I434 L440	L390-L394 HydrophobicContact CD1-CD1 4.37Å; L390-L394 HydrophobicContact CD1-CD2 4.45Å; L390-L394 HydrophobicContact CD1-CG 4.15Å; L390-L394 HydrophobicContact CG-CD1 4.11Å; L390-L394 HydrophobicContact CG-CG 4.29Å; L390-L394 WeakPolarHBondContact O-CG 3.12Å; L390-L394 PolarHBondContact O-N 3.27Å; H391-L394 PolarHBondContact O-N 3.38Å; L394-K397 PolarHBondContact O-N 2.96Å; L394-F398 HydrophobicContact CB-CD2 4.39Å; L394-F398 HydrophobicContact CD2-CD2 4.04Å; L394-F398 HydrophobicContact CD2-CE2 3.69Å; L394-F398 WeakPolarHBondContact O-CB 3.44Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.38Å; L394-I403 VanDerWaalsContact C-CD1 3.41Å; L394-I403 HydrophobicContact CB-CD1 3.9Å; L394-I403 WeakPolarHBondContact O-CD1 3.27Å; L394-W430 HydrophobicContact CD1-CH2 4.02Å; L394-W430 HydrophobicContact CD1-CZ2 4.05Å; L394-I434 HydrophobicContact CD1-CD1 4.02Å; L394-L440 HydrophobicContact CD2-CD2 4.45Å
395	I	94.1	Very high	95.7	Very high	86 Å²	86	27.4 Å²	27.4	44%	0.441	14%	0.137	S	C	.	.	H	α-helix	trans	-64.3	-40.5	178.1	-73.4	173.6	0	0	0	111.7	H391 E392 I403	H391-I395 WeakPolarHBondContact CE1-CD1 3.41Å; H391-I395 WeakPolarHBondContact O-CB 3.31Å; H391-I395 WeakPolarHBondContact O-CG1 3.13Å; H391-I395 PolarHBondContact O-N 3.19Å; E392-I395 PolarHBondContact O-N 3.3Å; I395-I403 HydrophobicContact CB-CD1 4.45Å; I395-I403 HydrophobicContact CG1-CB 4.41Å; I395-I403 HydrophobicContact CG1-CD1 3.86Å; I395-I403 HydrophobicContact CG1-CG2 4.19Å
396	A	92.6	Very high	95.8	Very high	31 Å²	31	21.3 Å²	21.3	26%	0.256	11%	0.111	S	C	.	.	H	α-helix	trans	-67.6	-37.9	174.7	0	0	0	0	0	112	E392 Q393 D472	E392-A396 WeakPolarHBondContact O-CB 3.22Å; E392-A396 PolarHBondContact O-N 2.95Å; Q393-A396 PolarHBondContact O-N 2.97Å; A396-D472 VanDerWaalsContact O-CA 3.3Å; A396-D472 WeakPolarHBondContact O-CA 3.34Å; A396-D472 VanDerWaalsContact O-CG 3.23Å; A396-D472 PolarHBondContact O-N 3.24Å
397	K	94.3	Very high	95.7	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-71.9	-45.3	-179.6	-174.8	159.9	-177.4	153.9	0	113.2	E327 Q393 L394 D468 K471 D472 F475	E327-K397 IonicContact OE1-NZ 2.6Å; E327-K397 IonicContact OE2-NZ 2.9Å; E327-K397 PolarHBondContact OE2-NZ 2.94Å; Q393-K397 VanDerWaalsContact O-CB 3.27Å; Q393-K397 WeakPolarHBondContact O-CB 3.31Å; Q393-K397 PolarHBondContact O-N 3.47Å; L394-K397 PolarHBondContact O-N 2.96Å; K397-D468 WeakPolarHBondContact CE-OD2 3.4Å; K397-D468 IonicContact NZ-OD2 2.67Å; K397-D468 PolarHBondContact NZ-OD2 3.46Å; K397-K471 HydrophobicContact CB-CB 4.33Å; K397-K471 HydrophobicContact CG-CB 4.49Å; K397-D472 PolarHBondContact O-N 2.96Å; K397-F475 VanDerWaalsContact O-CB 3.25Å; K397-F475 WeakPolarHBondContact O-CB 3.45Å
398	F	94.3	Very high	95.3	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	14%	0.141	C	C	.	.			trans	-111	73	-161.2	-64.8	-65.6	0	0	0	112.5	F329 L394 V400 M401 I403 V439 L440 C443 F475	F329-F398 HydrophobicContact CE2-CE1 4.35Å; L394-F398 HydrophobicContact CB-CD2 4.39Å; L394-F398 HydrophobicContact CD2-CD2 4.04Å; L394-F398 HydrophobicContact CD2-CE2 3.69Å; L394-F398 WeakPolarHBondContact O-CB 3.44Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.38Å; F398-V400 PolarHBondContact O-N 3.34Å; F398-M401 HydrophobicContact CB-CB 3.96Å; F398-M401 HydrophobicContact CB-CG 3.61Å; F398-M401 HydrophobicContact CD1-CG 4.33Å; F398-M401 HydrophobicContact CG-CG 4.18Å; F398-M401 PolarHBondContact O-N 3.46Å; F398-M401 VanDerWaalsContact O-N 3.13Å; F398-I403 HydrophobicContact CB-CD1 4.22Å; F398-V439 HydrophobicContact CD1-CG1 3.98Å; F398-V439 HydrophobicContact CE1-CG1 3.44Å; F398-V439 VanDerWaalsContact CE1-CG1 3.44Å; F398-V439 HydrophobicContact CZ-CG1 3.98Å; F398-L440 HydrophobicContact CB-CD2 4.44Å; F398-L440 HydrophobicContact CD1-CD2 4.42Å; F398-L440 HydrophobicContact CD2-CD2 3.36Å; F398-L440 HydrophobicContact CE2-CD2 3.57Å; F398-L440 HydrophobicContact CG-CD2 3.84Å; F398-L440 HydrophobicContact CZ-CD2 4.2Å; F398-C443 HydrophobicContact CE2-CB 4.16Å; F398-C443 HydrophobicContact CZ-CB 3.96Å; F398-F475 HydrophobicContact CD1-CD1 4.34Å; F398-F475 AromaticContact CD1-CD2 3.62Å; F398-F475 HydrophobicContact CD1-CD2 3.62Å; F398-F475 HydrophobicContact CD1-CE1 4.13Å; F398-F475 AromaticContact CD1-CE2 3.39Å; F398-F475 HydrophobicContact CD1-CE2 3.39Å; F398-F475 HydrophobicContact CD1-CG 4.1Å; F398-F475 AromaticContact CD1-CZ 3.65Å; F398-F475 HydrophobicContact CD1-CZ 3.65Å; F398-F475 AromaticContact CE1-CD2 3.72Å; F398-F475 HydrophobicContact CE1-CD2 3.72Å; F398-F475 AromaticContact CE1-CE2 3.44Å; F398-F475 HydrophobicContact CE1-CE2 3.44Å; F398-F475 VanDerWaalsContact CE1-CE2 3.44Å; F398-F475 HydrophobicContact CE1-CZ 4.1Å
399	A	84.7	Confident	95	Very high	12 Å²	12	32 Å²	32	10%	0.099	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.9	-166.1	0	0	0	0	0	117.7	D472	A399-D472 WeakPolarHBondContact CB-O 3.09Å
400	V	93.6	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	2.3	-177.9	-65.8	0	0	0	0	114.9	F398 F476 T602 V605 T643 I644	F398-V400 PolarHBondContact O-N 3.34Å; V400-F476 HydrophobicContact CG1-CZ 3.97Å; V400-F476 HydrophobicContact CG2-CE1 3.89Å; V400-F476 HydrophobicContact CG2-CZ 3.72Å; V400-T602 HydrophobicContact CB-CG2 4.03Å; V400-T602 HydrophobicContact CG1-CG2 4.35Å; V400-V605 HydrophobicContact CG1-CB 4.09Å; V400-V605 HydrophobicContact CG1-CG1 3.72Å; V400-V605 HydrophobicContact CG1-CG2 4.28Å; V400-T643 HydrophobicContact CG2-CG2 3.59Å; V400-I644 HydrophobicContact CB-CG1 4.15Å; V400-I644 HydrophobicContact CG1-CD1 4.3Å; V400-I644 HydrophobicContact CG1-CG1 4.27Å; V400-I644 HydrophobicContact CG2-CG1 4.31Å
401	M	95.5	Very high	93.5	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.034	21%	0.205	C	C	.	.	S	Bend	trans	-76.4	145.3	176.8	-61.5	-61	118.4	0	0	111	W340 F398 I403 L440 F475 T643 E647	W340-M401 HydrophobicContact CH2-CE 4.19Å; W340-M401 HydrophobicContact CZ2-CE 3.52Å; W340-M401 HydrophobicContact CZ2-SD 3.99Å; F398-M401 HydrophobicContact CB-CB 3.96Å; F398-M401 HydrophobicContact CB-CG 3.61Å; F398-M401 HydrophobicContact CD1-CG 4.33Å; F398-M401 HydrophobicContact CG-CG 4.18Å; F398-M401 PolarHBondContact O-N 3.46Å; F398-M401 VanDerWaalsContact O-N 3.13Å; M401-I403 HydrophobicContact CB-CG1 4.13Å; M401-I403 PolarHBondContact O-N 2.98Å; M401-L440 HydrophobicContact CG-CD2 4.44Å; M401-F475 HydrophobicContact CE-CE1 3.8Å; M401-F475 HydrophobicContact CE-CZ 3.93Å; M401-T643 HydrophobicContact CE-CG2 3.38Å; M401-E647 HydrophobicContact CE-CB 4.4Å; M401-E647 HydrophobicContact SD-CB 4.33Å; M401-E647 HydrophobicContact SD-CG 4.09Å
402	L	96.9	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.			trans	-85.9	60.7	-179.3	-57.5	-179.8	0	0	0	110.7	M595 L598 I599 E647 F648 F651	L402-M595 HydrophobicContact CB-CB 4.41Å; L402-M595 HydrophobicContact CB-CE 4.44Å; L402-M595 WeakPolarHBondContact O-CE 3.25Å; L402-M595 WeakPolarHBondContact O-CG 3.43Å; L402-L598 HydrophobicContact CD2-CB 3.74Å; L402-I599 HydrophobicContact CD1-CD1 4.45Å; L402-I599 HydrophobicContact CD1-CG1 3.97Å; L402-I599 HydrophobicContact CD2-CG1 3.88Å; L402-E647 HydrophobicContact CG-CG 4.12Å; L402-E647 PolarHBondContact N-OE1 2.98Å; L402-F648 HydrophobicContact CD1-CD1 4.24Å; L402-F648 HydrophobicContact CD1-CE1 4.37Å; L402-F651 HydrophobicContact CD1-CB 3.93Å; L402-F651 HydrophobicContact CD1-CD2 3.82Å; L402-F651 HydrophobicContact CD1-CG 3.85Å
403	I	97.4	Very high	92.3	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.036	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.5	130.3	-173.9	-68.1	164.7	0	0	0	111.4	L394 I395 F398 M401 L440 L598	L394-I403 VanDerWaalsContact C-CD1 3.41Å; L394-I403 HydrophobicContact CB-CD1 3.9Å; L394-I403 WeakPolarHBondContact O-CD1 3.27Å; I395-I403 HydrophobicContact CB-CD1 4.45Å; I395-I403 HydrophobicContact CG1-CB 4.41Å; I395-I403 HydrophobicContact CG1-CD1 3.86Å; I395-I403 HydrophobicContact CG1-CG2 4.19Å; F398-I403 HydrophobicContact CB-CD1 4.22Å; M401-I403 HydrophobicContact CB-CG1 4.13Å; M401-I403 PolarHBondContact O-N 2.98Å; I403-L440 HydrophobicContact CG1-CD1 4.17Å; I403-L598 WeakPolarHBondContact O-CD1 3.35Å
404	P	97.7	Very high	91.9	Very high	2 Å²	2	41 Å²	41	1%	0.013	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-68.5	144.4	179.5	28.5	-36.3	0	0	0	112	H391 W430 K433 I434 I591 M595	H391-P404 PolarHBondContact CD2-O 2.65Å; H391-P404 PolarHBondContact NE2-O 3.45Å; P404-W430 HydrophobicContact CG-CG 4.46Å; P404-W430 VanDerWaalsContact O-CD1 3.25Å; P404-W430 PolarHBondContact O-NE1 3.36Å; P404-K433 HydrophobicContact CB-CB 4.24Å; P404-K433 HydrophobicContact CB-CG 4.47Å; P404-K433 HydrophobicContact CG-CB 3.8Å; P404-I434 HydrophobicContact CG-CD1 3.96Å; P404-I591 HydrophobicContact CB-CG2 4.06Å; P404-M595 HydrophobicContact CB-CG 4.15Å; P404-M595 HydrophobicContact CB-SD 4.27Å
405	P	97.5	Very high	91.6	Very high	25 Å²	25	45.1 Å²	45.1	16%	0.162	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73.1	145.9	-178.9	33.2	-38.8	0	0	0	112.2	W430 F590 I591	P405-W430 VanDerWaalsContact O-CD1 3.28Å; P405-F590 HydrophobicContact CB-CE1 4.08Å; P405-F590 HydrophobicContact CB-CZ 4.08Å; P405-F590 HydrophobicContact CG-CD1 4.13Å; P405-F590 HydrophobicContact CG-CE1 3.66Å; P405-F590 HydrophobicContact CG-CZ 4.06Å; P405-I591 WeakPolarHBondContact CD-O 3.5Å; P405-I591 HydrophobicContact CG-CD1 4.43Å
406	L	97.4	Very high	91.6	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.084	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.4	151.5	164.4	-73.1	176.5	0	0	0	112.2	Y384 F387 H391 L427 W430 F590	Y384-L406 HydrophobicContact CE2-CB 4.48Å; Y384-L406 WeakPolarHBondContact OH-CB 3.4Å; F387-L406 HydrophobicContact CB-CD1 4.22Å; F387-L406 HydrophobicContact CB-CD2 4.16Å; H391-L406 HydrophobicContact CB-CD1 3.45Å; H391-L406 VanDerWaalsContact CB-CD1 3.45Å; H391-L406 HydrophobicContact CB-CG 3.99Å; L406-L427 HydrophobicContact CD2-CD2 3.85Å; L406-W430 HydrophobicContact CD2-CD2 3.63Å; L406-W430 HydrophobicContact CD2-CE3 4.2Å; L406-W430 HydrophobicContact CD2-CG 3.76Å; L406-W430 HydrophobicContact CD2-CZ2 4.27Å; L406-F590 WeakPolarHBondContact O-CZ 3.45Å
407	P	95.2	Very high	91.5	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.039	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64.8	151.4	171.4	27.3	-34.8	0	0	0	112.5	Y384 R423 L426 L427	Y384-P407 HydrophobicContact CE2-CG 4.26Å; Y384-P407 WeakPolarHBondContact CE2-O 3.45Å; Y384-P407 PolarHBondContact OH-O 3.32Å; Y384-P407 VanDerWaalsContact OH-O 3.08Å; P407-R423 HydrophobicContact CG-CG 4.02Å; P407-L426 HydrophobicContact CB-CB 3.85Å; P407-L426 HydrophobicContact CB-CD1 3.82Å; P407-L426 HydrophobicContact CB-CG 4.46Å; P407-L426 HydrophobicContact CG-CB 3.9Å; P407-L427 HydrophobicContact CG-CD2 4.31Å; P407-L427 HydrophobicContact CG-CG 4.24Å
408	E	89.6	Confident	91.3	Very high	170 Å²	170	57.7 Å²	57.7	79%	0.794	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-64.3	153.8	-165.7	-173.5	156.5	-153.2	0	0	115.8	Q410 R423	E408-Q410 VanDerWaalsContact C-N 3.29Å; E408-Q410 PolarHBondContact O-N 3.06Å; E408-R423 PolarHBondContact O-NH2 2.84Å
409	K	89.9	Confident	91.3	Very high	114 Å²	114	58.9 Å²	58.9	50%	0.496	30%	0.296	S	S	.	.			trans	-78.3	53.4	-176.9	-74.7	178.5	171.4	172.2	0	114.2	Y384 D388 V411	Y384-K409 HydrophobicContact CE1-CG 3.86Å; D388-K409 WeakPolarHBondContact OD1-CE 3.49Å; D388-K409 IonicContact OD1-NZ 2.67Å; D388-K409 PolarHBondContact OD1-NZ 3.25Å; D388-K409 WeakPolarHBondContact OD2-CE 3.31Å; D388-K409 IonicContact OD2-NZ 3.5Å; D388-K409 PolarHBondContact OD2-NZ 3.22Å; K409-V411 PolarHBondContact O-N 3.05Å
410	Q	85.1	Confident	91.7	Very high	83 Å²	83	58.7 Å²	58.7	39%	0.388	29%	0.294	S	S	.	.			trans	-61.1	133.7	177.5	-146	179.8	-68.4	0	0	112.9	E408 A412 F419	E408-Q410 VanDerWaalsContact C-N 3.29Å; E408-Q410 PolarHBondContact O-N 3.06Å; Q410-A412 WeakPolarHBondContact CG-O 3.37Å; Q410-A412 PolarHBondContact NE2-O 3.36Å; Q410-F419 HydrophobicContact CB-CE1 4.41Å; Q410-F419 HydrophobicContact CB-CE2 3.66Å; Q410-F419 HydrophobicContact CB-CZ 3.46Å; Q410-F419 VanDerWaalsContact CB-CZ 3.46Å; Q410-F419 VanDerWaalsContact CD-CE2 3.47Å; Q410-F419 HydrophobicContact CG-CE2 4.2Å; Q410-F419 HydrophobicContact CG-CZ 4.36Å
411	V	80.1	Confident	91.7	Very high	106 Å²	106	64 Å²	64	64%	0.642	32%	0.319	S	S	*	.			trans	-102.1	-48.3	179.6	179.6	0	0	0	0	111.8	K409 R414	K409-V411 PolarHBondContact O-N 3.05Å; V411-R414 VanDerWaalsContact O-CD 3.22Å; V411-R414 WeakPolarHBondContact O-CD 3.29Å; V411-R414 VanDerWaalsContact O-CG 3.25Å; V411-R414 WeakPolarHBondContact O-CG 3.35Å
412	A	84.1	Confident	91.6	Very high	74 Å²	74	67.7 Å²	67.7	61%	0.612	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	156.9	167.7	0	0	0	0	0	110.5	Q410 R414	Q410-A412 WeakPolarHBondContact CG-O 3.37Å; Q410-A412 PolarHBondContact NE2-O 3.36Å; A412-R414 PolarHBondContact O-N 3.13Å
413	G	86	Confident	91.5	Very high	19 Å²	19	68.6 Å²	68.6	20%	0.196	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	3.9	180	0	0	0	0	0	117	Y415 E416	G413-Y415 PolarHBondContact O-N 3.46Å; G413-E416 WeakPolarHBondContact CA-OE1 3.26Å; G413-E416 WeakPolarHBondContact CA-OE2 3.4Å; G413-E416 WeakPolarHBondContact O-CB 3.43Å; G413-E416 PolarHBondContact O-N 3Å
414	R	87.4	Confident	91.4	Very high	88 Å²	88	70.3 Å²	70.3	33%	0.332	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	10.2	-168.4	72.5	178.5	171	102.9	-3.1	117.4	S365 V411 A412 F419	S365-R414 PolarHBondContact O-NH1 2.87Å; V411-R414 VanDerWaalsContact O-CD 3.22Å; V411-R414 WeakPolarHBondContact O-CD 3.29Å; V411-R414 VanDerWaalsContact O-CG 3.25Å; V411-R414 WeakPolarHBondContact O-CG 3.35Å; A412-R414 PolarHBondContact O-N 3.13Å; R414-F419 HydrophobicContact CB-CE1 4.19Å
415	Y	91.2	Very high	91.3	Very high	87 Å²	87	73.4 Å²	73.4	34%	0.341	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	0.7	175	-54.2	-70.2	0	0	0	113	K356 S365 M367 G413	K356-Y415 HydrophobicContact CD-CD1 4.35Å; K356-Y415 HydrophobicContact CD-CE1 4.41Å; K356-Y415 HydrophobicContact CG-CD1 4.46Å; K356-Y415 HydrophobicContact CG-CE1 4.3Å; S365-Y415 VanDerWaalsContact C-OH 3.29Å; S365-Y415 VanDerWaalsContact CB-OH 3.27Å; S365-Y415 WeakPolarHBondContact CB-OH 3.14Å; S365-Y415 PolarHBondContact O-OH 3.06Å; M367-Y415 HydrophobicContact CG-CD1 4.12Å; M367-Y415 HydrophobicContact SD-CD1 3.81Å; M367-Y415 HydrophobicContact SD-CE1 4.37Å; G413-Y415 PolarHBondContact O-N 3.46Å
416	E	92.7	Very high	91.3	Very high	122 Å²	122	72.5 Å²	72.5	57%	0.57	36%	0.356	S	S	*	.			trans	-68	138.5	175.7	-71.4	156.4	-167.6	0	0	109.5	G413 F419 V420	G413-E416 WeakPolarHBondContact CA-OE1 3.26Å; G413-E416 WeakPolarHBondContact CA-OE2 3.4Å; G413-E416 WeakPolarHBondContact O-CB 3.43Å; G413-E416 PolarHBondContact O-N 3Å; E416-F419 HydrophobicContact CB-CB 4.23Å; E416-F419 PolarHBondContact O-N 3.07Å; E416-V420 WeakPolarHBondContact O-CB 3.49Å; E416-V420 VanDerWaalsContact O-CG2 3.29Å; E416-V420 WeakPolarHBondContact O-CG2 3.26Å; E416-V420 PolarHBondContact O-N 3.15Å
417	E	92.2	Very high	91.4	Very high	154 Å²	154	71.8 Å²	71.8	72%	0.72	35%	0.352	S	S	*	.	H	α-helix	trans	-59.3	-53.6	-169.6	-172.4	163.4	-143.1	0	0	111.8	F419 V420 E421	E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.86Å; E417-V420 WeakPolarHBondContact O-CB 3.37Å; E417-V420 PolarHBondContact O-N 2.62Å; E417-E421 WeakPolarHBondContact O-CG 3.26Å; E417-E421 PolarHBondContact O-N 3.4Å
418	E	89.9	Confident	91.5	Very high	116 Å²	116	73.8 Å²	73.8	54%	0.542	36%	0.361	S	S	.	.	H	α-helix	trans	-53.2	-43.9	175.7	177.7	169.2	-122.8	0	0	113	H422 K579	E418-H422 VanDerWaalsContact O-CB 3.29Å; E418-H422 WeakPolarHBondContact O-CB 3.42Å; E418-H422 PolarHBondContact O-N 3.42Å; E418-K579 VanDerWaalsContact OE1-CE 3.3Å; E418-K579 WeakPolarHBondContact OE1-CE 3.48Å; E418-K579 IonicContact OE1-NZ 2.87Å; E418-K579 PolarHBondContact OE1-NZ 2.97Å
419	F	92.8	Very high	91.9	Very high	28 Å²	28	67 Å²	67	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-39.8	176.9	174.6	-98.2	0	0	0	112.4	Q410 R414 E416 E417 R423	Q410-F419 HydrophobicContact CB-CE1 4.41Å; Q410-F419 HydrophobicContact CB-CE2 3.66Å; Q410-F419 HydrophobicContact CB-CZ 3.46Å; Q410-F419 VanDerWaalsContact CB-CZ 3.46Å; Q410-F419 VanDerWaalsContact CD-CE2 3.47Å; Q410-F419 HydrophobicContact CG-CE2 4.2Å; Q410-F419 HydrophobicContact CG-CZ 4.36Å; R414-F419 HydrophobicContact CB-CE1 4.19Å; E416-F419 HydrophobicContact CB-CB 4.23Å; E416-F419 PolarHBondContact O-N 3.07Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 2.86Å; F419-R423 VanDerWaalsContact CZ-CZ 3.4Å; F419-R423 VanDerWaalsContact O-CB 3.23Å; F419-R423 WeakPolarHBondContact O-CB 3.46Å; F419-R423 PolarHBondContact O-N 2.71Å
420	V	93.7	Very high	92.3	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-40.6	177.7	167.2	0	0	0	0	111.1	P354 M367 E416 E417 M424	P354-V420 HydrophobicContact CB-CG1 3.47Å; P354-V420 VanDerWaalsContact CB-CG1 3.47Å; P354-V420 HydrophobicContact CG-CG1 3.94Å; M367-V420 HydrophobicContact CE-CG1 3.99Å; M367-V420 HydrophobicContact CE-CG2 4.29Å; M367-V420 HydrophobicContact CG-CG2 4.14Å; E416-V420 WeakPolarHBondContact O-CB 3.49Å; E416-V420 VanDerWaalsContact O-CG2 3.29Å; E416-V420 WeakPolarHBondContact O-CG2 3.26Å; E416-V420 PolarHBondContact O-N 3.15Å; E417-V420 WeakPolarHBondContact O-CB 3.37Å; E417-V420 PolarHBondContact O-N 2.62Å; V420-M424 WeakPolarHBondContact O-CB 3.29Å; V420-M424 PolarHBondContact O-N 3.16Å
421	E	92.8	Very high	92.9	Very high	112 Å²	112	57.7 Å²	57.7	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-51	176	-72	-170.6	132.9	0	0	112.1	E417 R423 M424 H425	E417-E421 WeakPolarHBondContact O-CG 3.26Å; E417-E421 PolarHBondContact O-N 3.4Å; E421-R423 PolarHBondContact O-N 2.84Å; E421-M424 CarbonylContact O-C 3.59Å; E421-M424 WeakPolarHBondContact O-CA 3.4Å; E421-M424 WeakPolarHBondContact O-CB 3.5Å; E421-M424 PolarHBondContact O-N 2.71Å; E421-H425 PolarHBondContact O-N 3.29Å
422	H	93.5	Very high	93.8	Very high	84 Å²	84	55 Å²	55	39%	0.389	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-43.7	177.7	171.1	67.2	0	0	0	111.7	E418 M424 H425 L426 D587	E418-H422 VanDerWaalsContact O-CB 3.29Å; E418-H422 WeakPolarHBondContact O-CB 3.42Å; E418-H422 PolarHBondContact O-N 3.42Å; H422-M424 VanDerWaalsContact C-N 3.3Å; H422-M424 PolarHBondContact O-N 3.01Å; H422-H425 WeakPolarHBondContact O-CB 3.36Å; H422-H425 PolarHBondContact O-N 2.89Å; H422-L426 PolarHBondContact O-N 3.04Å; H422-D587 IonicContact CE1-OD1 3.76Å; H422-D587 PolarHBondContact CE1-OD1 2.94Å; H422-D587 IonicContact CE1-OD2 3.33Å; H422-D587 IonicContact ND1-OD1 2.59Å; H422-D587 PolarHBondContact ND1-OD1 2.99Å; H422-D587 IonicContact ND1-OD2 2.93Å; H422-D587 PolarHBondContact ND1-OD2 3.29Å
423	R	95.7	Very high	94.4	Very high	18 Å²	18	52.1 Å²	52.1	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-36.9	171.9	-178.6	-178.8	-96.3	165.9	-4.9	111.9	Y369 P407 E408 F419 E421 L427	Y369-R423 WeakPolarHBondContact OH-CD 3.23Å; P407-R423 HydrophobicContact CG-CG 4.02Å; E408-R423 PolarHBondContact O-NH2 2.84Å; F419-R423 VanDerWaalsContact CZ-CZ 3.4Å; F419-R423 VanDerWaalsContact O-CB 3.23Å; F419-R423 WeakPolarHBondContact O-CB 3.46Å; F419-R423 PolarHBondContact O-N 2.71Å; E421-R423 PolarHBondContact O-N 2.84Å; R423-L427 HydrophobicContact CG-CD1 4.14Å; R423-L427 HydrophobicContact CG-CG 4.45Å; R423-L427 WeakPolarHBondContact O-CB 3.22Å; R423-L427 VanDerWaalsContact O-CG 3.24Å; R423-L427 WeakPolarHBondContact O-CG 3.39Å; R423-L427 PolarHBondContact O-N 2.92Å
424	M	95.7	Very high	95	Very high	44 Å²	44	51.2 Å²	51.2	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-39.7	174.7	-173.9	176.6	64.5	0	0	111.6	V351 P354 Y369 V420 E421 H422 L427 Q428	V351-M424 HydrophobicContact CG1-CG 4.08Å; P354-M424 HydrophobicContact CB-SD 4.45Å; P354-M424 HydrophobicContact CG-SD 4.03Å; Y369-M424 HydrophobicContact CD1-CB 4.19Å; Y369-M424 HydrophobicContact CD1-CG 4.08Å; Y369-M424 HydrophobicContact CE1-CB 3.91Å; Y369-M424 HydrophobicContact CE1-CG 4.32Å; V420-M424 WeakPolarHBondContact O-CB 3.29Å; V420-M424 PolarHBondContact O-N 3.16Å; E421-M424 CarbonylContact O-C 3.59Å; E421-M424 WeakPolarHBondContact O-CA 3.4Å; E421-M424 WeakPolarHBondContact O-CB 3.5Å; E421-M424 PolarHBondContact O-N 2.71Å; H422-M424 VanDerWaalsContact C-N 3.3Å; H422-M424 PolarHBondContact O-N 3.01Å; M424-L427 PolarHBondContact O-N 2.77Å; M424-Q428 WeakPolarHBondContact O-CB 3.38Å; M424-Q428 PolarHBondContact O-N 2.87Å
425	H	95.5	Very high	95.4	Very high	66 Å²	66	47.3 Å²	47.3	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-62.1	-49.9	175.2	-169.6	90.5	0	0	0	111.5	E421 H422 L427 Q428 L429 D587	E421-H425 PolarHBondContact O-N 3.29Å; H422-H425 WeakPolarHBondContact O-CB 3.36Å; H422-H425 PolarHBondContact O-N 2.89Å; H425-L427 VanDerWaalsContact C-N 3.32Å; H425-L427 PolarHBondContact O-N 3.19Å; H425-Q428 WeakPolarHBondContact O-CA 3.49Å; H425-Q428 WeakPolarHBondContact O-CB 3.4Å; H425-Q428 PolarHBondContact O-N 3.15Å; H425-L429 PolarHBondContact O-N 2.8Å; H425-D587 IonicContact CD2-OD2 3.57Å; H425-D587 PolarHBondContact CD2-OD2 3.13Å; H425-D587 IonicContact CG-OD2 2.62Å
426	L	97.5	Very high	95.7	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-37.7	177.3	-74.8	167	0	0	0	112.4	P407 H422 L429 W430 D587 F590	P407-L426 HydrophobicContact CB-CB 3.85Å; P407-L426 HydrophobicContact CB-CD1 3.82Å; P407-L426 HydrophobicContact CB-CG 4.46Å; P407-L426 HydrophobicContact CG-CB 3.9Å; H422-L426 PolarHBondContact O-N 3.04Å; L426-L429 PolarHBondContact O-N 2.9Å; L426-W430 WeakPolarHBondContact O-CB 3.36Å; L426-W430 PolarHBondContact O-N 2.82Å; L426-D587 HydrophobicContact CD2-CB 3.63Å; L426-D587 HydrophobicContact CG-CB 4.31Å; L426-F590 HydrophobicContact CD2-CD1 3.75Å; L426-F590 HydrophobicContact CD2-CE1 4.35Å; L426-F590 HydrophobicContact CD2-CG 4.4Å
427	L	98.2	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-37	170.6	-73.2	172.7	0	0	0	112.5	V351 Y369 F387 L406 P407 R423 M424 H425 W430 V431	V351-L427 HydrophobicContact CG1-CB 4.25Å; Y369-L427 HydrophobicContact CD1-CD1 4.45Å; Y369-L427 HydrophobicContact CD2-CD1 3.65Å; Y369-L427 HydrophobicContact CE1-CD1 4.32Å; Y369-L427 HydrophobicContact CE2-CD1 3.51Å; Y369-L427 HydrophobicContact CG-CD1 4.14Å; F387-L427 HydrophobicContact CB-CD2 4.26Å; F387-L427 HydrophobicContact CD1-CD2 3.85Å; F387-L427 HydrophobicContact CD2-CD2 4.32Å; F387-L427 HydrophobicContact CE1-CD2 4.22Å; F387-L427 HydrophobicContact CE2-CD1 4.37Å; F387-L427 HydrophobicContact CG-CD2 3.9Å; L406-L427 HydrophobicContact CD2-CD2 3.85Å; P407-L427 HydrophobicContact CG-CD2 4.31Å; P407-L427 HydrophobicContact CG-CG 4.24Å; R423-L427 HydrophobicContact CG-CD1 4.14Å; R423-L427 HydrophobicContact CG-CG 4.45Å; R423-L427 WeakPolarHBondContact O-CB 3.22Å; R423-L427 VanDerWaalsContact O-CG 3.24Å; R423-L427 WeakPolarHBondContact O-CG 3.39Å; R423-L427 PolarHBondContact O-N 2.92Å; M424-L427 PolarHBondContact O-N 2.77Å; H425-L427 VanDerWaalsContact C-N 3.32Å; H425-L427 PolarHBondContact O-N 3.19Å; L427-W430 PolarHBondContact O-N 3.1Å; L427-V431 WeakPolarHBondContact O-CB 3.39Å; L427-V431 VanDerWaalsContact O-CG2 3.31Å; L427-V431 WeakPolarHBondContact O-CG2 3.33Å; L427-V431 PolarHBondContact O-N 3.13Å
428	Q	98.1	Very high	96	Very high	48 Å²	48	34.6 Å²	34.6	22%	0.224	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-39.2	175.5	179.9	62.5	96.4	0	0	112	C349 V351 M424 H425 T432	C349-Q428 PolarHBondContact O-NE2 3.38Å; V351-Q428 HydrophobicContact CB-CB 4.15Å; V351-Q428 HydrophobicContact CG2-CB 4.24Å; M424-Q428 WeakPolarHBondContact O-CB 3.38Å; M424-Q428 PolarHBondContact O-N 2.87Å; H425-Q428 WeakPolarHBondContact O-CA 3.49Å; H425-Q428 WeakPolarHBondContact O-CB 3.4Å; H425-Q428 PolarHBondContact O-N 3.15Å; Q428-T432 PolarHBondContact NE2-OG1 3.44Å; Q428-T432 WeakPolarHBondContact O-CB 3.46Å; Q428-T432 PolarHBondContact O-N 2.99Å; Q428-T432 PolarHBondContact O-OG1 3Å
429	L	97.6	Very high	96.3	Very high	29 Å²	29	29.1 Å²	29.1	15%	0.152	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-46.4	172.7	-65	-179.5	0	0	0	110.9	H425 L426 T432 K433 D587 I591	H425-L429 PolarHBondContact O-N 2.8Å; L426-L429 PolarHBondContact O-N 2.9Å; L429-T432 WeakPolarHBondContact O-CB 3.09Å; L429-T432 PolarHBondContact O-N 3.48Å; L429-K433 PolarHBondContact O-N 3.49Å; L429-D587 HydrophobicContact CD1-CB 3.76Å; L429-I591 HydrophobicContact CB-CD1 4.37Å; L429-I591 HydrophobicContact CB-CG1 4.08Å; L429-I591 HydrophobicContact CD1-CG1 4.27Å
430	W	98.5	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-52	177.2	-172.1	88.1	0	0	0	112.1	F387 L390 H391 L394 P404 P405 L406 L426 L427 T432 K433 I434 W446	F387-W430 HydrophobicContact CD1-CE3 4.23Å; F387-W430 HydrophobicContact CD1-CZ3 4.09Å; L390-W430 HydrophobicContact CD2-CH2 3.68Å; L390-W430 HydrophobicContact CD2-CZ3 4.06Å; L390-W430 HydrophobicContact CG-CH2 4.21Å; H391-W430 HydrophobicContact CB-CZ2 4.05Å; H391-W430 AromaticContact CD2-NE1 3.72Å; L394-W430 HydrophobicContact CD1-CH2 4.02Å; L394-W430 HydrophobicContact CD1-CZ2 4.05Å; P404-W430 HydrophobicContact CG-CG 4.46Å; P404-W430 VanDerWaalsContact O-CD1 3.25Å; P404-W430 PolarHBondContact O-NE1 3.36Å; P405-W430 VanDerWaalsContact O-CD1 3.28Å; L406-W430 HydrophobicContact CD2-CD2 3.63Å; L406-W430 HydrophobicContact CD2-CE3 4.2Å; L406-W430 HydrophobicContact CD2-CG 3.76Å; L406-W430 HydrophobicContact CD2-CZ2 4.27Å; L426-W430 WeakPolarHBondContact O-CB 3.36Å; L426-W430 PolarHBondContact O-N 2.82Å; L427-W430 PolarHBondContact O-N 3.1Å; W430-T432 VanDerWaalsContact C-N 3.29Å; W430-T432 PolarHBondContact O-N 3.11Å; W430-K433 WeakPolarHBondContact O-CB 3.36Å; W430-K433 PolarHBondContact O-N 2.86Å; W430-K433 VanDerWaalsContact O-N 3.08Å; W430-I434 HydrophobicContact CD2-CG1 4.11Å; W430-I434 HydrophobicContact CE3-CG1 3.97Å; W430-I434 HydrophobicContact CH2-CD1 4.26Å; W430-I434 HydrophobicContact CH2-CG1 3.79Å; W430-I434 HydrophobicContact CZ2-CD1 3.99Å; W430-I434 HydrophobicContact CZ2-CG1 3.93Å; W430-I434 HydrophobicContact CZ3-CG1 3.81Å; W430-I434 PolarHBondContact O-N 2.95Å; W430-W446 HydrophobicContact CZ3-CZ3 4.07Å
431	V	98.3	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-39.7	175.9	164.5	0	0	0	0	111.7	C349 V351 L371 F387 L427 K433 I434 C435 W446	C349-V431 HydrophobicContact CB-CG1 3.6Å; C349-V431 WeakPolarHBondContact O-CG1 3.41Å; V351-V431 HydrophobicContact CG2-CB 3.86Å; V351-V431 HydrophobicContact CG2-CG1 4.15Å; V351-V431 HydrophobicContact CG2-CG2 3.65Å; L371-V431 HydrophobicContact CD2-CG2 4.11Å; F387-V431 HydrophobicContact CE1-CG2 3.89Å; L427-V431 WeakPolarHBondContact O-CB 3.39Å; L427-V431 VanDerWaalsContact O-CG2 3.31Å; L427-V431 WeakPolarHBondContact O-CG2 3.33Å; L427-V431 PolarHBondContact O-N 3.13Å; V431-K433 VanDerWaalsContact C-N 3.31Å; V431-K433 PolarHBondContact O-N 3.5Å; V431-I434 PolarHBondContact O-N 3.5Å; V431-C435 WeakPolarHBondContact O-CB 3.43Å; V431-C435 PolarHBondContact O-N 3Å; V431-W446 HydrophobicContact CB-CH2 4.45Å; V431-W446 HydrophobicContact CG1-CH2 4.09Å; V431-W446 HydrophobicContact CG2-CH2 4.15Å
432	T	97.5	Very high	96.6	Very high	49 Å²	49	25 Å²	25	30%	0.301	12%	0.121	S	C	.	.	H	α-helix	trans	-61.9	-38.8	176.2	-59.1	0	0	0	0	111.8	Q428 L429 W430 R436	Q428-T432 PolarHBondContact NE2-OG1 3.44Å; Q428-T432 WeakPolarHBondContact O-CB 3.46Å; Q428-T432 PolarHBondContact O-N 2.99Å; Q428-T432 PolarHBondContact O-OG1 3Å; L429-T432 WeakPolarHBondContact O-CB 3.09Å; L429-T432 PolarHBondContact O-N 3.48Å; W430-T432 VanDerWaalsContact C-N 3.29Å; W430-T432 PolarHBondContact O-N 3.11Å; T432-R436 WeakPolarHBondContact O-CB 3.46Å; T432-R436 WeakPolarHBondContact O-CD 3.34Å; T432-R436 VanDerWaalsContact O-CG 3.31Å; T432-R436 WeakPolarHBondContact O-CG 3.28Å; T432-R436 PolarHBondContact O-N 3.34Å; T432-R436 VanDerWaalsContact O-N 3.12Å
433	K	97.8	Very high	96.6	Very high	14 Å²	14	21 Å²	21	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-44.2	176.2	-71.7	-74.2	161	-168.9	0	112.1	P404 L429 W430 V431 C435 R436 H437 I591 Y592 M595 E654 D658	P404-K433 HydrophobicContact CB-CB 4.24Å; P404-K433 HydrophobicContact CB-CG 4.47Å; P404-K433 HydrophobicContact CG-CB 3.8Å; L429-K433 PolarHBondContact O-N 3.49Å; W430-K433 WeakPolarHBondContact O-CB 3.36Å; W430-K433 PolarHBondContact O-N 2.86Å; W430-K433 VanDerWaalsContact O-N 3.08Å; V431-K433 VanDerWaalsContact C-N 3.31Å; V431-K433 PolarHBondContact O-N 3.5Å; K433-C435 PolarHBondContact O-N 2.93Å; K433-R436 PolarHBondContact O-N 3.46Å; K433-H437 WeakPolarHBondContact O-CB 3.47Å; K433-H437 PolarHBondContact O-N 3.34Å; K433-I591 HydrophobicContact CG-CG2 4.17Å; K433-Y592 PolarHBondContact NZ-OH 3.03Å; K433-M595 HydrophobicContact CD-SD 4.45Å; K433-E654 IonicContact NZ-OE2 3.87Å; K433-E654 PolarHBondContact NZ-OE2 3.34Å; K433-D658 WeakPolarHBondContact CE-OD2 3.45Å; K433-D658 IonicContact NZ-OD2 2.76Å; K433-D658 PolarHBondContact NZ-OD2 3.11Å
434	I	97.8	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-44.2	175.6	-55.1	-54.9	0	0	0	111	L394 P404 W430 V431 R436 H437 L440 S441 W446	L394-I434 HydrophobicContact CD1-CD1 4.02Å; P404-I434 HydrophobicContact CG-CD1 3.96Å; W430-I434 HydrophobicContact CD2-CG1 4.11Å; W430-I434 HydrophobicContact CE3-CG1 3.97Å; W430-I434 HydrophobicContact CH2-CD1 4.26Å; W430-I434 HydrophobicContact CH2-CG1 3.79Å; W430-I434 HydrophobicContact CZ2-CD1 3.99Å; W430-I434 HydrophobicContact CZ2-CG1 3.93Å; W430-I434 HydrophobicContact CZ3-CG1 3.81Å; W430-I434 PolarHBondContact O-N 2.95Å; V431-I434 PolarHBondContact O-N 3.5Å; I434-R436 VanDerWaalsContact C-N 3.31Å; I434-R436 PolarHBondContact O-N 2.88Å; I434-H437 PolarHBondContact O-N 3.49Å; I434-L440 HydrophobicContact CD1-CB 4.47Å; I434-L440 HydrophobicContact CD1-CD1 3.73Å; I434-L440 HydrophobicContact CG2-CB 4.05Å; I434-S441 WeakPolarHBondContact O-CA 3.29Å; I434-S441 WeakPolarHBondContact O-CB 3.5Å; I434-S441 PolarHBondContact O-N 2.94Å; I434-W446 HydrophobicContact CB-CH2 4.21Å; I434-W446 HydrophobicContact CB-CZ2 4.02Å; I434-W446 HydrophobicContact CG2-CD2 3.54Å; I434-W446 VanDerWaalsContact CG2-CE2 3.42Å; I434-W446 HydrophobicContact CG2-CE3 4Å; I434-W446 HydrophobicContact CG2-CG 3.91Å; I434-W446 HydrophobicContact CG2-CH2 4.13Å; I434-W446 HydrophobicContact CG2-CZ2 3.73Å; I434-W446 HydrophobicContact CG2-CZ3 4.27Å
435	C	96.9	Very high	96.6	Very high	7 Å²	7	22.1 Å²	22.1	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-33.9	176.1	-81.4	0	0	0	0	114.3	Y347 V431 K433 S441	Y347-C435 HydrophobicContact CE2-CB 4.4Å; Y347-C435 WeakPolarHBondContact CE2-SG 3.29Å; V431-C435 WeakPolarHBondContact O-CB 3.43Å; V431-C435 PolarHBondContact O-N 3Å; K433-C435 PolarHBondContact O-N 2.93Å; C435-S441 WeakPolarHBondContact O-CB 3.47Å
436	R	96.1	Very high	96.7	Very high	70 Å²	70	19 Å²	19	26%	0.264	10%	0.095	S	C	.	.	H	α-helix	trans	-85.6	-13.8	-177.6	-74	168	65.2	172	-3.3	114	T432 K433 I434 P438 H650 E654 D658	T432-R436 WeakPolarHBondContact O-CB 3.46Å; T432-R436 WeakPolarHBondContact O-CD 3.34Å; T432-R436 VanDerWaalsContact O-CG 3.31Å; T432-R436 WeakPolarHBondContact O-CG 3.28Å; T432-R436 PolarHBondContact O-N 3.34Å; T432-R436 VanDerWaalsContact O-N 3.12Å; K433-R436 PolarHBondContact O-N 3.46Å; I434-R436 VanDerWaalsContact C-N 3.31Å; I434-R436 PolarHBondContact O-N 2.88Å; R436-P438 WeakPolarHBondContact O-CD 3.44Å; R436-H650 PolarHBondContact O-CE1 3.4Å; R436-E654 IonicContact CZ-OE1 2.68Å; R436-E654 IonicContact CZ-OE2 3.03Å; R436-E654 IonicContact NE-OE1 2.78Å; R436-E654 PolarHBondContact NE-OE1 3.41Å; R436-E654 IonicContact NE-OE2 3.6Å; R436-E654 PolarHBondContact NE-OE2 3.45Å; R436-E654 VanDerWaalsContact NE-OE2 3.1Å; R436-E654 IonicContact NH1-OE2 3.07Å; R436-E654 IonicContact NH2-OE1 3.16Å; R436-E654 PolarHBondContact NH2-OE1 2.9Å; R436-E654 IonicContact NH2-OE2 2.76Å; R436-E654 PolarHBondContact NH2-OE2 2.87Å; R436-E654 VanDerWaalsContact NH2-OE2 3.11Å; R436-D658 IonicContact CZ-OD1 2.78Å; R436-D658 IonicContact NH1-OD1 3.33Å; R436-D658 PolarHBondContact NH1-OD1 3.09Å; R436-D658 IonicContact NH1-OD2 3.58Å; R436-D658 IonicContact NH2-OD1 2.72Å; R436-D658 PolarHBondContact NH2-OD1 3.41Å; R436-D658 VanDerWaalsContact NH2-OD1 3.07Å
437	H	97	Very high	96.5	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.023	11%	0.108	C	C	.	.			trans	-86	120.4	-175.1	-169	-39	0	0	0	111.2	K433 I434 V439 L440 S441 E647 H650	K433-H437 WeakPolarHBondContact O-CB 3.47Å; K433-H437 PolarHBondContact O-N 3.34Å; I434-H437 PolarHBondContact O-N 3.49Å; H437-V439 VanDerWaalsContact C-N 3.35Å; H437-V439 PolarHBondContact ND1-N 3.1Å; H437-V439 PolarHBondContact O-N 3.1Å; H437-L440 HydrophobicContact CB-CB 4.04Å; H437-L440 HydrophobicContact CB-CD1 4.2Å; H437-L440 HydrophobicContact CB-CG 4.12Å; H437-L440 WeakPolarHBondContact CD2-CD1 3.39Å; H437-L440 PolarHBondContact O-N 2.91Å; H437-S441 WeakPolarHBondContact O-CB 3.21Å; H437-S441 PolarHBondContact O-N 3.26Å; H437-S441 PolarHBondContact O-OG 3.37Å; H437-E647 IonicContact CE1-OE2 3.5Å; H437-E647 PolarHBondContact CE1-OE2 2.79Å; H437-E647 IonicContact NE2-OE1 3.82Å; H437-E647 PolarHBondContact NE2-OE1 3.25Å; H437-E647 IonicContact NE2-OE2 3.47Å; H437-E647 PolarHBondContact NE2-OE2 3.13Å; H437-H650 WeakPolarHBondContact CA-NE2 3.48Å; H437-H650 AromaticContact CD2-CD2 3.79Å; H437-H650 AromaticContact CD2-NE2 3.76Å; H437-H650 AromaticContact CG-CD2 3.84Å; H437-H650 AromaticContact CG-NE2 3.54Å; H437-H650 AromaticContact ND1-CD2 3.99Å; H437-H650 AromaticContact NE2-CD2 3.99Å
438	P	95.4	Very high	96.4	Very high	20 Å²	20	23.2 Å²	23.2	13%	0.13	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-41.2	-173.3	-30.2	37.6	0	0	0	114.6	W340 R436 S441 Q442	W340-P438 HydrophobicContact CB-CB 3.73Å; W340-P438 HydrophobicContact CB-CG 3.84Å; W340-P438 HydrophobicContact CG-CB 4.31Å; W340-P438 HydrophobicContact CG-CG 4.47Å; R436-P438 WeakPolarHBondContact O-CD 3.44Å; P438-S441 PolarHBondContact O-OG 3.02Å; P438-Q442 PolarHBondContact O-NE2 3.16Å
439	V	96	Very high	96.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-61	173.5	-175.8	0	0	0	0	112.1	F329 W340 F398 H437 S441 Q442 C443 F475	F329-V439 HydrophobicContact CB-CG2 4.28Å; F329-V439 HydrophobicContact CD1-CB 4.2Å; F329-V439 HydrophobicContact CD1-CG1 3.86Å; F329-V439 HydrophobicContact CD1-CG2 4.29Å; F329-V439 HydrophobicContact CD2-CG1 4.08Å; F329-V439 HydrophobicContact CE1-CB 4.45Å; F329-V439 HydrophobicContact CE1-CG1 3.85Å; F329-V439 HydrophobicContact CE2-CG1 4.08Å; F329-V439 HydrophobicContact CG-CG1 3.97Å; F329-V439 HydrophobicContact CG-CG2 4.27Å; F329-V439 HydrophobicContact CZ-CG1 3.96Å; W340-V439 HydrophobicContact CD2-CG2 3.59Å; W340-V439 HydrophobicContact CE3-CG2 3.64Å; W340-V439 HydrophobicContact CG-CG2 4.31Å; W340-V439 HydrophobicContact CH2-CG2 3.82Å; W340-V439 HydrophobicContact CZ2-CG2 3.77Å; W340-V439 HydrophobicContact CZ3-CG2 3.74Å; F398-V439 HydrophobicContact CD1-CG1 3.98Å; F398-V439 HydrophobicContact CE1-CG1 3.44Å; F398-V439 VanDerWaalsContact CE1-CG1 3.44Å; F398-V439 HydrophobicContact CZ-CG1 3.98Å; H437-V439 VanDerWaalsContact C-N 3.35Å; H437-V439 PolarHBondContact ND1-N 3.1Å; H437-V439 PolarHBondContact O-N 3.1Å; V439-S441 VanDerWaalsContact C-N 3.33Å; V439-S441 PolarHBondContact O-N 2.88Å; V439-Q442 PolarHBondContact O-N 3.32Å; V439-Q442 VanDerWaalsContact O-N 3.09Å; V439-C443 PolarHBondContact O-N 3.49Å; V439-F475 HydrophobicContact CG1-CE2 4.23Å; V439-F475 HydrophobicContact CG1-CZ 4.34Å
440	L	96.5	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-64.7	-35.3	-168.9	-49.8	178	0	0	0	112.8	L394 F398 M401 I403 I434 H437 Q442 C443	L394-L440 HydrophobicContact CD2-CD2 4.45Å; F398-L440 HydrophobicContact CB-CD2 4.44Å; F398-L440 HydrophobicContact CD1-CD2 4.42Å; F398-L440 HydrophobicContact CD2-CD2 3.36Å; F398-L440 HydrophobicContact CE2-CD2 3.57Å; F398-L440 HydrophobicContact CG-CD2 3.84Å; F398-L440 HydrophobicContact CZ-CD2 4.2Å; M401-L440 HydrophobicContact CG-CD2 4.44Å; I403-L440 HydrophobicContact CG1-CD1 4.17Å; I434-L440 HydrophobicContact CD1-CB 4.47Å; I434-L440 HydrophobicContact CD1-CD1 3.73Å; I434-L440 HydrophobicContact CG2-CB 4.05Å; H437-L440 HydrophobicContact CB-CB 4.04Å; H437-L440 HydrophobicContact CB-CD1 4.2Å; H437-L440 HydrophobicContact CB-CG 4.12Å; H437-L440 WeakPolarHBondContact CD2-CD1 3.39Å; H437-L440 PolarHBondContact O-N 2.91Å; L440-Q442 PolarHBondContact O-N 3.46Å; L440-C443 PolarHBondContact O-N 3.16Å
441	S	95.6	Very high	96.1	Very high	11 Å²	11	21.7 Å²	21.7	8%	0.077	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-63.8	-19.5	176.6	63.5	0	0	0	0	114.4	Y347 I434 C435 H437 P438 V439	Y347-S441 PolarHBondContact OH-O 3.32Å; I434-S441 WeakPolarHBondContact O-CA 3.29Å; I434-S441 WeakPolarHBondContact O-CB 3.5Å; I434-S441 PolarHBondContact O-N 2.94Å; C435-S441 WeakPolarHBondContact O-CB 3.47Å; H437-S441 WeakPolarHBondContact O-CB 3.21Å; H437-S441 PolarHBondContact O-N 3.26Å; H437-S441 PolarHBondContact O-OG 3.37Å; P438-S441 PolarHBondContact O-OG 3.02Å; V439-S441 VanDerWaalsContact C-N 3.33Å; V439-S441 PolarHBondContact O-N 2.88Å
442	Q	93.4	Very high	96	Very high	51 Å²	51	22.3 Å²	22.3	24%	0.238	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-101.6	-7.4	179.8	-68.7	-175.5	93.3	0	0	113	F329 S343 A344 P438 V439 L440 E444	F329-Q442 HydrophobicContact CE1-CB 4.17Å; S343-Q442 PolarHBondContact OG-NE2 2.67Å; S343-Q442 PolarHBondContact OG-OE1 3.07Å; A344-Q442 HydrophobicContact CB-CG 3.71Å; P438-Q442 PolarHBondContact O-NE2 3.16Å; V439-Q442 PolarHBondContact O-N 3.32Å; V439-Q442 VanDerWaalsContact O-N 3.09Å; L440-Q442 PolarHBondContact O-N 3.46Å; Q442-E444 PolarHBondContact O-N 2.9Å
443	C	94.2	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.			trans	-64.4	134.5	-173.2	-175.8	0	0	0	0	112.7	E327 F398 V439 L440 A445 W446 M447	E327-C443 VanDerWaalsContact OE1-CA 3.24Å; E327-C443 WeakPolarHBondContact OE1-CA 3.38Å; E327-C443 PolarHBondContact OE1-SG 3.5Å; E327-C443 VanDerWaalsContact OE1-SG 3.36Å; F398-C443 HydrophobicContact CE2-CB 4.16Å; F398-C443 HydrophobicContact CZ-CB 3.96Å; V439-C443 PolarHBondContact O-N 3.49Å; L440-C443 PolarHBondContact O-N 3.16Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.45Å; C443-W446 HydrophobicContact CB-CB 4.29Å; C443-W446 WeakPolarHBondContact O-CB 3.49Å; C443-W446 PolarHBondContact O-N 2.86Å; C443-M447 PolarHBondContact O-N 3.47Å
444	E	94.9	Very high	95.7	Very high	74 Å²	74	27.7 Å²	27.7	35%	0.346	15%	0.147	S	C	.	.	H	α-helix	trans	-52.4	-41.9	179.3	-77.5	-162.9	-139.4	0	0	112.8	S326 E327 Q442 W446 M447 H448 K464	S326-E444 PolarHBondContact OG-OE1 2.95Å; E327-E444 HydrophobicContact CG-CG 3.96Å; E327-E444 PolarHBondContact OE1-N 2.76Å; Q442-E444 PolarHBondContact O-N 2.9Å; E444-W446 VanDerWaalsContact C-N 3.32Å; E444-W446 PolarHBondContact O-N 2.98Å; E444-M447 PolarHBondContact O-N 3.08Å; E444-H448 VanDerWaalsContact O-CB 3.27Å; E444-H448 WeakPolarHBondContact O-CB 2.79Å; E444-H448 PolarHBondContact O-N 3.01Å; E444-K464 IonicContact OE1-NZ 3.84Å; E444-K464 PolarHBondContact OE1-NZ 3.05Å; E444-K464 IonicContact OE2-NZ 3.17Å; E444-K464 PolarHBondContact OE2-NZ 3.15Å
445	A	96.1	Very high	95.2	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-35.5	179.6	0	0	0	0	0	112.4	L390 C443 F449 A465	L390-A445 HydrophobicContact CD1-CB 4.36Å; C443-A445 VanDerWaalsContact C-N 3.26Å; C443-A445 PolarHBondContact O-N 3.45Å; A445-F449 VanDerWaalsContact O-CB 3.31Å; A445-F449 WeakPolarHBondContact O-CB 3.45Å; A445-F449 PolarHBondContact O-N 3.18Å; A445-A465 HydrophobicContact CB-CB 3.87Å
446	W	96.5	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.4	-43.8	175.8	169.5	-116.8	0	0	0	112	Y347 L390 W430 V431 I434 C443 E444 H448 F449 L450	Y347-W446 AromaticContact CZ-NE1 3.96Å; Y347-W446 PolarHBondContact OH-NE1 2.95Å; L390-W446 HydrophobicContact CD2-CE3 3.51Å; L390-W446 HydrophobicContact CD2-CZ3 3.82Å; W430-W446 HydrophobicContact CZ3-CZ3 4.07Å; V431-W446 HydrophobicContact CB-CH2 4.45Å; V431-W446 HydrophobicContact CG1-CH2 4.09Å; V431-W446 HydrophobicContact CG2-CH2 4.15Å; I434-W446 HydrophobicContact CB-CH2 4.21Å; I434-W446 HydrophobicContact CB-CZ2 4.02Å; I434-W446 HydrophobicContact CG2-CD2 3.54Å; I434-W446 VanDerWaalsContact CG2-CE2 3.42Å; I434-W446 HydrophobicContact CG2-CE3 4Å; I434-W446 HydrophobicContact CG2-CG 3.91Å; I434-W446 HydrophobicContact CG2-CH2 4.13Å; I434-W446 HydrophobicContact CG2-CZ2 3.73Å; I434-W446 HydrophobicContact CG2-CZ3 4.27Å; C443-W446 HydrophobicContact CB-CB 4.29Å; C443-W446 WeakPolarHBondContact O-CB 3.49Å; C443-W446 PolarHBondContact O-N 2.86Å; E444-W446 VanDerWaalsContact C-N 3.32Å; E444-W446 PolarHBondContact O-N 2.98Å; W446-H448 VanDerWaalsContact C-N 3.32Å; W446-H448 PolarHBondContact O-N 3.39Å; W446-F449 HydrophobicContact CE3-CB 4.41Å; W446-F449 AromaticContact CE3-CD1 3.75Å; W446-F449 HydrophobicContact CE3-CD1 3.75Å; W446-F449 HydrophobicContact CE3-CE1 4.43Å; W446-F449 HydrophobicContact CE3-CG 4.4Å; W446-F449 AromaticContact CZ3-CD1 3.56Å; W446-F449 HydrophobicContact CZ3-CD1 3.56Å; W446-F449 AromaticContact CZ3-CE1 3.82Å; W446-F449 HydrophobicContact CZ3-CE1 3.82Å; W446-F449 WeakPolarHBondContact O-CA 3.33Å; W446-F449 WeakPolarHBondContact O-CB 3.44Å; W446-F449 PolarHBondContact O-N 3.04Å; W446-F449 VanDerWaalsContact O-N 3.1Å; W446-L450 HydrophobicContact CD2-CD1 4.15Å; W446-L450 HydrophobicContact CD2-CG 4.08Å; W446-L450 VanDerWaalsContact CE2-CD1 3.49Å; W446-L450 HydrophobicContact CE3-CG 4.24Å; W446-L450 HydrophobicContact CH2-CD1 4.36Å; W446-L450 HydrophobicContact CH2-CD2 3.77Å; W446-L450 HydrophobicContact CH2-CG 4.12Å; W446-L450 HydrophobicContact CZ2-CD1 3.64Å; W446-L450 HydrophobicContact CZ2-CD2 3.88Å; W446-L450 HydrophobicContact CZ2-CG 3.89Å; W446-L450 HydrophobicContact CZ3-CD2 4.13Å; W446-L450 HydrophobicContact CZ3-CG 4.28Å; W446-L450 PolarHBondContact O-N 3.15Å
447	M	94.9	Very high	95	Very high	60 Å²	60	41.9 Å²	41.9	30%	0.296	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-38.5	176.6	-67	-58.6	-70.5	0	0	111.6	F375 C443 E444 L450 T451	F375-M447 HydrophobicContact CE1-CE 4.21Å; F375-M447 HydrophobicContact CE2-CE 4.14Å; F375-M447 HydrophobicContact CZ-CE 3.62Å; F375-M447 HydrophobicContact CZ-SD 4.4Å; C443-M447 PolarHBondContact O-N 3.47Å; E444-M447 PolarHBondContact O-N 3.08Å; M447-L450 PolarHBondContact O-N 2.86Å; M447-T451 WeakPolarHBondContact O-CB 3.45Å; M447-T451 WeakPolarHBondContact O-CG2 3.46Å; M447-T451 PolarHBondContact O-N 2.92Å; M447-T451 PolarHBondContact O-OG1 2.97Å
448	H	96.3	Very high	94.9	Very high	37 Å²	37	42.6 Å²	42.6	17%	0.171	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-42.2	170.1	-180	69.7	0	0	0	112.1	E444 W446 L450 T451 C452 K457 W458 G461	E444-H448 VanDerWaalsContact O-CB 3.27Å; E444-H448 WeakPolarHBondContact O-CB 2.79Å; E444-H448 PolarHBondContact O-N 3.01Å; W446-H448 VanDerWaalsContact C-N 3.32Å; W446-H448 PolarHBondContact O-N 3.39Å; H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 2.96Å; H448-T451 PolarHBondContact O-N 2.83Å; H448-C452 PolarHBondContact CE1-SG 2.67Å; H448-C452 WeakPolarHBondContact O-CB 2.96Å; H448-C452 PolarHBondContact O-N 2.85Å; H448-K457 PolarHBondContact CE1-O 3.04Å; H448-K457 VanDerWaalsContact CE1-O 3.25Å; H448-W458 AromaticContact CD2-CE3 3.71Å; H448-W458 AromaticContact CD2-CZ3 3.65Å; H448-W458 AromaticContact NE2-CE3 3.36Å; H448-W458 AromaticContact NE2-CZ3 3.81Å; H448-W458 PolarHBondContact NE2-O 3.14Å; H448-W458 VanDerWaalsContact NE2-O 3.13Å; H448-G461 WeakPolarHBondContact NE2-CA 3.48Å
449	F	97.4	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-42.1	174.9	179.4	-91.4	0	0	0	112.7	L371 R382 H386 F387 L390 A445 W446 W458	L371-F449 HydrophobicContact CD1-CD1 4.06Å; L371-F449 HydrophobicContact CD1-CE1 3.33Å; L371-F449 HydrophobicContact CD1-CZ 3.89Å; R382-F449 HydrophobicContact CB-CE2 4.27Å; R382-F449 HydrophobicContact CB-CZ 3.98Å; R382-F449 HydrophobicContact CG-CE1 4.21Å; R382-F449 HydrophobicContact CG-CE2 3.9Å; R382-F449 HydrophobicContact CG-CZ 3.72Å; R382-F449 VanDerWaalsContact CZ-O 3.26Å; R382-F449 PolarHBondContact NE-O 3.41Å; R382-F449 PolarHBondContact NH2-O 3.37Å; H386-F449 HydrophobicContact CB-CE2 3.93Å; H386-F449 WeakPolarHBondContact O-CE2 3.49Å; F387-F449 HydrophobicContact CD1-CE1 4.09Å; F387-F449 AromaticContact CD1-CZ 3.59Å; F387-F449 HydrophobicContact CD1-CZ 3.59Å; F387-F449 HydrophobicContact CD2-CZ 4.09Å; F387-F449 AromaticContact CE1-CE1 3.89Å; F387-F449 HydrophobicContact CE1-CE1 3.89Å; F387-F449 AromaticContact CE1-CZ 3.68Å; F387-F449 HydrophobicContact CE1-CZ 3.68Å; F387-F449 HydrophobicContact CE2-CZ 4.17Å; F387-F449 AromaticContact CG-CZ 3.81Å; F387-F449 HydrophobicContact CG-CZ 3.81Å; F387-F449 HydrophobicContact CZ-CE1 4.37Å; F387-F449 AromaticContact CZ-CZ 3.98Å; F387-F449 HydrophobicContact CZ-CZ 3.98Å; L390-F449 HydrophobicContact CB-CD2 4.1Å; L390-F449 HydrophobicContact CB-CE2 4.31Å; L390-F449 HydrophobicContact CD1-CB 4.41Å; L390-F449 HydrophobicContact CD2-CB 4.09Å; L390-F449 HydrophobicContact CD2-CD1 3.76Å; L390-F449 HydrophobicContact CD2-CD2 3.81Å; L390-F449 HydrophobicContact CD2-CE1 4.05Å; L390-F449 HydrophobicContact CD2-CE2 4.12Å; L390-F449 HydrophobicContact CD2-CG 3.64Å; L390-F449 HydrophobicContact CD2-CZ 4.23Å; L390-F449 HydrophobicContact CG-CD2 4.45Å; A445-F449 VanDerWaalsContact O-CB 3.31Å; A445-F449 WeakPolarHBondContact O-CB 3.45Å; A445-F449 PolarHBondContact O-N 3.18Å; W446-F449 HydrophobicContact CE3-CB 4.41Å; W446-F449 AromaticContact CE3-CD1 3.75Å; W446-F449 HydrophobicContact CE3-CD1 3.75Å; W446-F449 HydrophobicContact CE3-CE1 4.43Å; W446-F449 HydrophobicContact CE3-CG 4.4Å; W446-F449 AromaticContact CZ3-CD1 3.56Å; W446-F449 HydrophobicContact CZ3-CD1 3.56Å; W446-F449 AromaticContact CZ3-CE1 3.82Å; W446-F449 HydrophobicContact CZ3-CE1 3.82Å; W446-F449 WeakPolarHBondContact O-CA 3.33Å; W446-F449 WeakPolarHBondContact O-CB 3.44Å; W446-F449 PolarHBondContact O-N 3.04Å; W446-F449 VanDerWaalsContact O-N 3.1Å; F449-W458 AromaticContact CD2-CH2 3.92Å; F449-W458 HydrophobicContact CD2-CH2 3.92Å; F449-W458 HydrophobicContact CD2-CZ3 4.46Å
450	L	95.6	Very high	94.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-75.6	-35.1	178.9	-73.5	-177.1	0	0	0	114.8	Y347 C349 P373 F375 V380 W446 M447 H448	Y347-L450 HydrophobicContact CE2-CD1 3.91Å; C349-L450 HydrophobicContact CB-CD2 4.28Å; P373-L450 HydrophobicContact CB-CD1 4.22Å; P373-L450 HydrophobicContact CG-CB 4.44Å; F375-L450 HydrophobicContact CE1-CD1 4.24Å; V380-L450 WeakPolarHBondContact CG1-O 3.21Å; V380-L450 WeakPolarHBondContact CG2-O 3.35Å; W446-L450 HydrophobicContact CD2-CD1 4.15Å; W446-L450 HydrophobicContact CD2-CG 4.08Å; W446-L450 VanDerWaalsContact CE2-CD1 3.49Å; W446-L450 HydrophobicContact CE3-CG 4.24Å; W446-L450 HydrophobicContact CH2-CD1 4.36Å; W446-L450 HydrophobicContact CH2-CD2 3.77Å; W446-L450 HydrophobicContact CH2-CG 4.12Å; W446-L450 HydrophobicContact CZ2-CD1 3.64Å; W446-L450 HydrophobicContact CZ2-CD2 3.88Å; W446-L450 HydrophobicContact CZ2-CG 3.89Å; W446-L450 HydrophobicContact CZ3-CD2 4.13Å; W446-L450 HydrophobicContact CZ3-CG 4.28Å; W446-L450 PolarHBondContact O-N 3.15Å; M447-L450 PolarHBondContact O-N 2.86Å; H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 2.96Å
451	T	94.7	Very high	94.8	Very high	45 Å²	45	53.2 Å²	53.2	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-109.9	-18	-166.1	63.1	0	0	0	0	115.1	F375 M447 H448 T453	F375-T451 HydrophobicContact CE2-CG2 4.07Å; F375-T451 HydrophobicContact CZ-CG2 4.01Å; M447-T451 WeakPolarHBondContact O-CB 3.45Å; M447-T451 WeakPolarHBondContact O-CG2 3.46Å; M447-T451 PolarHBondContact O-N 2.92Å; M447-T451 PolarHBondContact O-OG1 2.97Å; H448-T451 PolarHBondContact O-N 2.83Å; T451-T453 PolarHBondContact O-N 2.6Å
452	C	95.9	Very high	94.9	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.081	27%	0.271	C	S	.	.			trans	-75.7	111.8	-173.6	-164.4	0	0	0	0	112.8	R382 H448 D454 W458	R382-C452 PolarHBondContact NH1-O 2.9Å; R382-C452 PolarHBondContact NH2-O 2.92Å; H448-C452 PolarHBondContact CE1-SG 2.67Å; H448-C452 WeakPolarHBondContact O-CB 2.96Å; H448-C452 PolarHBondContact O-N 2.85Å; C452-D454 PolarHBondContact SG-O 2.89Å; C452-W458 HydrophobicContact CB-CE3 4.33Å; C452-W458 PolarHBondContact SG-N 3.14Å
453	T	94.1	Very high	95	Very high	111 Å²	111	60.5 Å²	60.5	68%	0.681	29%	0.29	S	S	*	.			trans	-96.2	-16.1	177.2	49.8	0	0	0	0	114.3	I378 V380 T451	I378-T453 HydrophobicContact CG2-CG2 3.65Å; V380-T453 HydrophobicContact CG1-CG2 4Å; T451-T453 PolarHBondContact O-N 2.6Å
454	D	93.9	Very high	95	Very high	66 Å²	66	66 Å²	66	35%	0.353	31%	0.314	S	S	.	.			trans	-97.9	128.2	-176.7	175.6	-70	0	0	0	111.3	C452 K456 K457 W458	C452-D454 PolarHBondContact SG-O 2.89Å; D454-K456 PolarHBondContact O-N 3.29Å; D454-K456 WeakPolarHBondContact OD1-CA 3.24Å; D454-K456 WeakPolarHBondContact OD1-CB 3.38Å; D454-K456 PolarHBondContact OD1-N 3.03Å; D454-K457 HydrophobicContact CB-CB 4.1Å; D454-K457 HydrophobicContact CB-CD 4.04Å; D454-K457 HydrophobicContact CB-CG 4.17Å; D454-K457 PolarHBondContact OD1-N 3.38Å; D454-W458 VanDerWaalsContact O-CB 3.26Å; D454-W458 WeakPolarHBondContact O-CB 3.33Å; D454-W458 PolarHBondContact O-N 3.44Å
455	E	88	Confident	95	Very high	85 Å²	85	63.4 Å²	63.4	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-69.7	-28.6	-173.7	-156.2	-150.2	143.9	0	0	114	K459	E455-K459 WeakPolarHBondContact O-CG 3.43Å; E455-K459 PolarHBondContact O-N 3.32Å; E455-K459 WeakPolarHBondContact OE1-CE 3.44Å; E455-K459 IonicContact OE1-NZ 3.82Å; E455-K459 PolarHBondContact OE1-NZ 2.95Å
456	K	92.1	Very high	95	Very high	162 Å²	162	65.7 Å²	65.7	70%	0.704	31%	0.313	S	S	*	.	H	α-helix	trans	-76.3	-44.9	179.1	-63.7	179.9	-179.6	177.1	0	109.8	D454 W458 K459 Q460	D454-K456 PolarHBondContact O-N 3.29Å; D454-K456 WeakPolarHBondContact OD1-CA 3.24Å; D454-K456 WeakPolarHBondContact OD1-CB 3.38Å; D454-K456 PolarHBondContact OD1-N 3.03Å; K456-W458 VanDerWaalsContact C-N 3.32Å; K456-K459 PolarHBondContact O-N 3.43Å; K456-Q460 WeakPolarHBondContact O-CG 3.47Å; K456-Q460 PolarHBondContact O-N 3.23Å; K456-Q460 VanDerWaalsContact O-N 3.08Å
457	K	95.7	Very high	94.9	Very high	128 Å²	128	73.6 Å²	73.6	56%	0.557	35%	0.347	S	S	*	.	H	α-helix	trans	-62.5	-38.3	170.8	-66.1	-179.6	-175.1	175	0	111.3	H448 D454 K459 Q460 G461	H448-K457 PolarHBondContact CE1-O 3.04Å; H448-K457 VanDerWaalsContact CE1-O 3.25Å; D454-K457 HydrophobicContact CB-CB 4.1Å; D454-K457 HydrophobicContact CB-CD 4.04Å; D454-K457 HydrophobicContact CB-CG 4.17Å; D454-K457 PolarHBondContact OD1-N 3.38Å; K457-K459 PolarHBondContact O-N 3.4Å; K457-Q460 PolarHBondContact O-N 3.37Å; K457-G461 PolarHBondContact O-N 2.89Å
458	W	95.5	Very high	94.7	Very high	20 Å²	20	72.3 Å²	72.3	8%	0.076	34%	0.342	C	S	.	.	H	α-helix	trans	-54.3	-53	175.5	173	-119.4	0	0	0	111.3	H386 W389 H448 F449 C452 D454 K456 Q460 G461 K462	H386-W458 HydrophobicContact CB-CZ2 4.24Å; H386-W458 AromaticContact CE1-NE1 3.94Å; H386-W458 AromaticContact ND1-CZ2 3.97Å; W389-W458 HydrophobicContact CE3-CH2 4.05Å; W389-W458 HydrophobicContact CE3-CZ2 4.46Å; W389-W458 AromaticContact CZ3-CH2 3.72Å; W389-W458 HydrophobicContact CZ3-CH2 3.72Å; W389-W458 HydrophobicContact CZ3-CZ2 4.49Å; W389-W458 HydrophobicContact CZ3-CZ3 4.37Å; H448-W458 AromaticContact CD2-CE3 3.71Å; H448-W458 AromaticContact CD2-CZ3 3.65Å; H448-W458 AromaticContact NE2-CE3 3.36Å; H448-W458 AromaticContact NE2-CZ3 3.81Å; H448-W458 PolarHBondContact NE2-O 3.14Å; H448-W458 VanDerWaalsContact NE2-O 3.13Å; F449-W458 AromaticContact CD2-CH2 3.92Å; F449-W458 HydrophobicContact CD2-CH2 3.92Å; F449-W458 HydrophobicContact CD2-CZ3 4.46Å; C452-W458 HydrophobicContact CB-CE3 4.33Å; C452-W458 PolarHBondContact SG-N 3.14Å; D454-W458 VanDerWaalsContact O-CB 3.26Å; D454-W458 WeakPolarHBondContact O-CB 3.33Å; D454-W458 PolarHBondContact O-N 3.44Å; K456-W458 VanDerWaalsContact C-N 3.32Å; W458-Q460 PolarHBondContact O-N 3.45Å; W458-G461 PolarHBondContact O-N 3.25Å; W458-K462 HydrophobicContact CH2-CG 4.37Å; W458-K462 HydrophobicContact CZ2-CD 4.02Å; W458-K462 HydrophobicContact CZ2-CG 4.13Å; W458-K462 PolarHBondContact O-N 3.44Å
459	K	95.1	Very high	94.5	Very high	97 Å²	97	72.9 Å²	72.9	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-36.9	176.6	-68.1	170.9	-172.7	171.8	0	113	E455 K456 K457 R463	E455-K459 WeakPolarHBondContact O-CG 3.43Å; E455-K459 PolarHBondContact O-N 3.32Å; E455-K459 WeakPolarHBondContact OE1-CE 3.44Å; E455-K459 IonicContact OE1-NZ 3.82Å; E455-K459 PolarHBondContact OE1-NZ 2.95Å; K456-K459 PolarHBondContact O-N 3.43Å; K457-K459 PolarHBondContact O-N 3.4Å; K459-R463 WeakPolarHBondContact O-CG 3.39Å; K459-R463 PolarHBondContact O-N 2.85Å
460	Q	96	Very high	94.3	Very high	130 Å²	130	73.5 Å²	73.5	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-66.5	-46.4	175.7	-71.8	169.7	-3.6	0	0	112.2	K456 K457 W458 R463 K464	K456-Q460 WeakPolarHBondContact O-CG 3.47Å; K456-Q460 PolarHBondContact O-N 3.23Å; K456-Q460 VanDerWaalsContact O-N 3.08Å; K457-Q460 PolarHBondContact O-N 3.37Å; W458-Q460 PolarHBondContact O-N 3.45Å; Q460-R463 CarbonylContact O-C 3.56Å; Q460-R463 PolarHBondContact O-N 2.9Å; Q460-K464 PolarHBondContact O-N 3.06Å
461	G	96	Very high	94.1	Very high	17 Å²	17	76.7 Å²	76.7	18%	0.175	36%	0.361	C	S	.	.	H	α-helix	trans	-69.3	-31.5	179.1	0	0	0	0	0	113.6	H448 K457 W458 K464 A465	H448-G461 WeakPolarHBondContact NE2-CA 3.48Å; K457-G461 PolarHBondContact O-N 2.89Å; W458-G461 PolarHBondContact O-N 3.25Å; G461-K464 PolarHBondContact O-N 3.41Å; G461-A465 PolarHBondContact O-N 2.91Å
462	K	96.7	Very high	93.8	Very high	50 Å²	50	77.2 Å²	77.2	22%	0.217	36%	0.362	C	S	.	.	H	α-helix	trans	-55.1	-53.6	166.4	-76.6	-169	80.6	-82.3	0	110.9	W389 W458 K464 A465 E466	W389-K462 HydrophobicContact CD2-CD 4.41Å; W389-K462 HydrophobicContact CD2-CG 4.33Å; W389-K462 HydrophobicContact CE3-CG 4.49Å; W389-K462 HydrophobicContact CH2-CB 4.42Å; W389-K462 HydrophobicContact CH2-CG 3.92Å; W389-K462 HydrophobicContact CZ2-CB 3.88Å; W389-K462 HydrophobicContact CZ2-CG 3.69Å; W389-K462 HydrophobicContact CZ3-CG 4.31Å; W458-K462 HydrophobicContact CH2-CG 4.37Å; W458-K462 HydrophobicContact CZ2-CD 4.02Å; W458-K462 HydrophobicContact CZ2-CG 4.13Å; W458-K462 PolarHBondContact O-N 3.44Å; K462-K464 PolarHBondContact O-N 3.01Å; K462-A465 PolarHBondContact O-N 3.43Å; K462-A465 VanDerWaalsContact O-N 3.16Å; K462-E466 IonicContact NZ-OE1 3.28Å; K462-E466 PolarHBondContact NZ-OE1 3.11Å; K462-E466 VanDerWaalsContact O-CG 3.28Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 3.4Å
463	R	96.3	Very high	93.6	Very high	165 Å²	165	76.7 Å²	76.7	62%	0.623	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-23.6	178.9	-71.2	173.9	173.3	176.9	-2.2	113.6	K459 Q460 E466 K467	K459-R463 WeakPolarHBondContact O-CG 3.39Å; K459-R463 PolarHBondContact O-N 2.85Å; Q460-R463 CarbonylContact O-C 3.56Å; Q460-R463 PolarHBondContact O-N 2.9Å; R463-E466 WeakPolarHBondContact CA-OE2 3Å; R463-E466 PolarHBondContact N-OE2 3.36Å; R463-K467 WeakPolarHBondContact O-CB 3.33Å; R463-K467 VanDerWaalsContact O-CG 3.28Å; R463-K467 WeakPolarHBondContact O-CG 3.46Å
464	K	94.4	Very high	93.6	Very high	116 Å²	116	72.6 Å²	72.6	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-70.2	-53.4	170	-168.3	-169.5	175.4	-169.3	0	110.5	E444 Q460 G461 K462 E466 K467 D468	E444-K464 IonicContact OE1-NZ 3.84Å; E444-K464 PolarHBondContact OE1-NZ 3.05Å; E444-K464 IonicContact OE2-NZ 3.17Å; E444-K464 PolarHBondContact OE2-NZ 3.15Å; Q460-K464 PolarHBondContact O-N 3.06Å; G461-K464 PolarHBondContact O-N 3.41Å; K462-K464 PolarHBondContact O-N 3.01Å; K464-E466 PolarHBondContact O-N 3.38Å; K464-K467 CarbonylContact O-C 3.58Å; K464-K467 PolarHBondContact O-N 3.01Å; K464-K467 VanDerWaalsContact O-N 3.16Å; K464-D468 PolarHBondContact O-N 3.45Å
465	A	94.8	Very high	93.7	Very high	18 Å²	18	69.5 Å²	69.5	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-41.5	-178.8	0	0	0	0	0	112.7	W389 Q393 A445 G461 K462 K467 D468	W389-A465 HydrophobicContact CH2-CB 4.36Å; W389-A465 HydrophobicContact CZ2-CB 4.16Å; Q393-A465 HydrophobicContact CG-CB 4.46Å; A445-A465 HydrophobicContact CB-CB 3.87Å; G461-A465 PolarHBondContact O-N 2.91Å; K462-A465 PolarHBondContact O-N 3.43Å; K462-A465 VanDerWaalsContact O-N 3.16Å; A465-K467 PolarHBondContact O-N 2.9Å; A465-D468 WeakPolarHBondContact O-CB 3.49Å; A465-D468 PolarHBondContact O-N 2.95Å
466	E	95.2	Very high	94	Very high	61 Å²	61	65.6 Å²	65.6	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-30.5	177.2	-71.9	150.9	-173.1	0	0	112.7	W389 K462 R463 K464 K471	W389-E466 PolarHBondContact NE1-OE1 3.15Å; K462-E466 IonicContact NZ-OE1 3.28Å; K462-E466 PolarHBondContact NZ-OE1 3.11Å; K462-E466 VanDerWaalsContact O-CG 3.28Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 3.4Å; R463-E466 WeakPolarHBondContact CA-OE2 3Å; R463-E466 PolarHBondContact N-OE2 3.36Å; K464-E466 PolarHBondContact O-N 3.38Å; E466-K471 PolarHBondContact O-NZ 3.39Å
467	K	93.5	Very high	94.2	Very high	165 Å²	165	60.7 Å²	60.7	72%	0.717	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	14.7	-178.1	-65.3	-173.9	176.7	-165.6	0	114	R463 K464 A465 E469	R463-K467 WeakPolarHBondContact O-CB 3.33Å; R463-K467 VanDerWaalsContact O-CG 3.28Å; R463-K467 WeakPolarHBondContact O-CG 3.46Å; K464-K467 CarbonylContact O-C 3.58Å; K464-K467 PolarHBondContact O-N 3.01Å; K464-K467 VanDerWaalsContact O-N 3.16Å; A465-K467 PolarHBondContact O-N 2.9Å; K467-E469 PolarHBondContact O-N 3.33Å
468	D	92.1	Very high	94.1	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.182	25%	0.25	C	S	.	.			trans	-59.3	133.6	176.7	-169.2	-1.7	0	0	0	111.3	K397 K464 A465 Y470 K471	K397-D468 WeakPolarHBondContact CE-OD2 3.4Å; K397-D468 IonicContact NZ-OD2 2.67Å; K397-D468 PolarHBondContact NZ-OD2 3.46Å; K464-D468 PolarHBondContact O-N 3.45Å; A465-D468 WeakPolarHBondContact O-CB 3.49Å; A465-D468 PolarHBondContact O-N 2.95Å; D468-Y470 PolarHBondContact OD1-N 3.24Å; D468-K471 WeakPolarHBondContact O-CD 3.37Å; D468-K471 WeakPolarHBondContact O-CE 3.43Å; D468-K471 WeakPolarHBondContact O-CG 3.2Å
469	E	92.2	Very high	94.2	Very high	49 Å²	49	54.5 Å²	54.5	23%	0.229	25%	0.251	C	S	.	.	S	Bend	trans	-80.9	-22.1	173.8	-73.5	-175.6	-158.7	0	0	112.1	S322 Q323 K467 K471 N474	S322-E469 PolarHBondContact N-OE2 3.3Å; S322-E469 PolarHBondContact OG-OE1 3.33Å; Q323-E469 PolarHBondContact N-OE2 3.05Å; Q323-E469 VanDerWaalsContact N-OE2 3.13Å; Q323-E469 VanDerWaalsContact NE2-CD 3.32Å; Q323-E469 PolarHBondContact NE2-OE1 2.95Å; K467-E469 PolarHBondContact O-N 3.33Å; E469-K471 PolarHBondContact O-N 3.02Å; E469-N474 WeakPolarHBondContact O-CB 3.36Å; E469-N474 PolarHBondContact O-ND2 3.4Å
470	Y	93.5	Very high	94.2	Very high	12 Å²	12	52.2 Å²	52.2	5%	0.047	25%	0.246	C	C	.	.	S	Bend	trans	-98.6	35.4	-174.7	-65.8	-70.6	0	0	0	113.4	T321 Q323 V325 D468 N474 F475 F477 T478	T321-Y470 HydrophobicContact CG2-CD1 4.41Å; T321-Y470 HydrophobicContact CG2-CE1 3.76Å; Q323-Y470 PolarHBondContact O-OH 2.79Å; V325-Y470 HydrophobicContact CG2-CD1 4.4Å; V325-Y470 HydrophobicContact CG2-CE1 3.61Å; V325-Y470 HydrophobicContact CG2-CE2 4.27Å; V325-Y470 WeakPolarHBondContact CG2-OH 3.48Å; V325-Y470 PolarHBondContact N-OH 3.24Å; D468-Y470 PolarHBondContact OD1-N 3.24Å; Y470-N474 HydrophobicContact CD1-CB 4.47Å; Y470-F475 VanDerWaalsContact O-CA 3.29Å; Y470-F475 WeakPolarHBondContact O-CA 3.23Å; Y470-F475 PolarHBondContact O-N 3.17Å; Y470-F477 HydrophobicContact CD1-CB 4.05Å; Y470-F477 HydrophobicContact CE1-CB 3.87Å; Y470-T478 HydrophobicContact CD1-CG2 4.22Å; Y470-T478 HydrophobicContact CG-CG2 4.15Å
471	K	91.2	Very high	94.2	Very high	68 Å²	68	47.5 Å²	47.5	30%	0.296	23%	0.228	S	C	.	.	S	Bend	trans	-99.3	174.6	172.5	64.4	-177.4	176.4	-174.7	0	112.7	K397 E466 D468 E469 G473 N474 F475	K397-K471 HydrophobicContact CB-CB 4.33Å; K397-K471 HydrophobicContact CG-CB 4.49Å; E466-K471 PolarHBondContact O-NZ 3.39Å; D468-K471 WeakPolarHBondContact O-CD 3.37Å; D468-K471 WeakPolarHBondContact O-CE 3.43Å; D468-K471 WeakPolarHBondContact O-CG 3.2Å; E469-K471 PolarHBondContact O-N 3.02Å; K471-G473 PolarHBondContact O-N 3.44Å; K471-G473 VanDerWaalsContact O-N 3.17Å; K471-N474 WeakPolarHBondContact O-CB 3.38Å; K471-N474 PolarHBondContact O-N 2.92Å; K471-F475 PolarHBondContact O-N 3.42Å
472	D	88.8	Confident	94	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.294	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-114.2	-179.1	-61.2	-87.5	0	0	0	112	S309 A396 K397 A399	S309-D472 WeakPolarHBondContact O-CB 3.19Å; A396-D472 VanDerWaalsContact O-CA 3.3Å; A396-D472 WeakPolarHBondContact O-CA 3.34Å; A396-D472 VanDerWaalsContact O-CG 3.23Å; A396-D472 PolarHBondContact O-N 3.24Å; K397-D472 PolarHBondContact O-N 2.96Å; A399-D472 WeakPolarHBondContact CB-O 3.09Å
473	G	91.4	Very high	93.7	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.1	177.1	0	0	0	0	0	114.9	S309 F314 K471 F475 F476	S309-G473 WeakPolarHBondContact O-CA 3.44Å; S309-G473 PolarHBondContact O-N 2.99Å; F314-G473 WeakPolarHBondContact CB-O 3.06Å; K471-G473 PolarHBondContact O-N 3.44Å; K471-G473 VanDerWaalsContact O-N 3.17Å; G473-F475 VanDerWaalsContact C-N 3.29Å; G473-F476 WeakPolarHBondContact O-CD2 3.46Å
474	N	94.3	Very high	93.4	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.134	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-78.4	-16	177.2	-73.8	-11.5	0	0	0	112.8	T319 E469 Y470 K471 F476 F477	T319-N474 WeakPolarHBondContact CB-OD1 3.44Å; T319-N474 WeakPolarHBondContact CG2-OD1 3.39Å; E469-N474 WeakPolarHBondContact O-CB 3.36Å; E469-N474 PolarHBondContact O-ND2 3.4Å; Y470-N474 HydrophobicContact CD1-CB 4.47Å; K471-N474 WeakPolarHBondContact O-CB 3.38Å; K471-N474 PolarHBondContact O-N 2.92Å; N474-F476 PolarHBondContact O-N 3.37Å; N474-F476 VanDerWaalsContact O-N 3.14Å; N474-F477 HydrophobicContact CB-CD2 4.17Å; N474-F477 WeakPolarHBondContact O-CB 3.49Å; N474-F477 WeakPolarHBondContact O-CD2 3.38Å; N474-F477 PolarHBondContact O-N 3.02Å
475	F	94.4	Very high	93.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52	-33	171	160.8	-115.2	0	0	0	112.5	F329 K397 F398 M401 V439 Y470 K471 G473 F477 T478 I479 T643	F329-F475 AromaticContact CD2-CE2 3.97Å; F329-F475 HydrophobicContact CD2-CE2 3.97Å; F329-F475 HydrophobicContact CE2-CE2 4.09Å; K397-F475 VanDerWaalsContact O-CB 3.25Å; K397-F475 WeakPolarHBondContact O-CB 3.45Å; F398-F475 HydrophobicContact CD1-CD1 4.34Å; F398-F475 AromaticContact CD1-CD2 3.62Å; F398-F475 HydrophobicContact CD1-CD2 3.62Å; F398-F475 HydrophobicContact CD1-CE1 4.13Å; F398-F475 AromaticContact CD1-CE2 3.39Å; F398-F475 HydrophobicContact CD1-CE2 3.39Å; F398-F475 HydrophobicContact CD1-CG 4.1Å; F398-F475 AromaticContact CD1-CZ 3.65Å; F398-F475 HydrophobicContact CD1-CZ 3.65Å; F398-F475 AromaticContact CE1-CD2 3.72Å; F398-F475 HydrophobicContact CE1-CD2 3.72Å; F398-F475 AromaticContact CE1-CE2 3.44Å; F398-F475 HydrophobicContact CE1-CE2 3.44Å; F398-F475 VanDerWaalsContact CE1-CE2 3.44Å; F398-F475 HydrophobicContact CE1-CZ 4.1Å; M401-F475 HydrophobicContact CE-CE1 3.8Å; M401-F475 HydrophobicContact CE-CZ 3.93Å; V439-F475 HydrophobicContact CG1-CE2 4.23Å; V439-F475 HydrophobicContact CG1-CZ 4.34Å; Y470-F475 VanDerWaalsContact O-CA 3.29Å; Y470-F475 WeakPolarHBondContact O-CA 3.23Å; Y470-F475 PolarHBondContact O-N 3.17Å; K471-F475 PolarHBondContact O-N 3.42Å; G473-F475 VanDerWaalsContact C-N 3.29Å; F475-F477 PolarHBondContact O-N 3.16Å; F475-F477 VanDerWaalsContact O-N 3.14Å; F475-T478 VanDerWaalsContact CD2-OG1 3.25Å; F475-T478 WeakPolarHBondContact CD2-OG1 3.26Å; F475-T478 WeakPolarHBondContact CE2-OG1 2.76Å; F475-T478 WeakPolarHBondContact O-CB 3.46Å; F475-T478 PolarHBondContact O-N 3.26Å; F475-T478 PolarHBondContact O-OG1 3.15Å; F475-I479 HydrophobicContact CE1-CD1 4.34Å; F475-I479 HydrophobicContact CE2-CD1 3.75Å; F475-I479 HydrophobicContact CZ-CD1 3.61Å; F475-I479 HydrophobicContact CZ-CG1 4.31Å; F475-T643 HydrophobicContact CE1-CG2 4.19Å
476	F	95.8	Very high	93.4	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-64.4	-16.9	177.5	-63.7	-72.4	0	0	0	114.2	T311 F314 V400 G473 N474 T478 I479 V639 V640 T643	T311-F476 HydrophobicContact CG2-CD2 4.13Å; T311-F476 HydrophobicContact CG2-CE2 3.56Å; T311-F476 HydrophobicContact CG2-CZ 4.34Å; F314-F476 HydrophobicContact CD1-CB 3.76Å; F314-F476 HydrophobicContact CD1-CD2 4.24Å; F314-F476 HydrophobicContact CD1-CG 4.23Å; F314-F476 HydrophobicContact CD2-CB 3.97Å; F314-F476 HydrophobicContact CE1-CB 3.44Å; F314-F476 VanDerWaalsContact CE1-CB 3.44Å; F314-F476 HydrophobicContact CE1-CG 4.14Å; F314-F476 HydrophobicContact CE2-CB 3.66Å; F314-F476 HydrophobicContact CG-CB 4.02Å; F314-F476 HydrophobicContact CZ-CB 3.4Å; V400-F476 HydrophobicContact CG1-CZ 3.97Å; V400-F476 HydrophobicContact CG2-CE1 3.89Å; V400-F476 HydrophobicContact CG2-CZ 3.72Å; G473-F476 WeakPolarHBondContact O-CD2 3.46Å; N474-F476 PolarHBondContact O-N 3.37Å; N474-F476 VanDerWaalsContact O-N 3.14Å; F476-T478 VanDerWaalsContact C-N 3.26Å; F476-T478 PolarHBondContact O-N 3Å; F476-I479 PolarHBondContact O-N 2.86Å; F476-V639 HydrophobicContact CB-CG1 4.23Å; F476-V639 HydrophobicContact CD1-CG1 4.37Å; F476-V640 HydrophobicContact CD1-CG2 4.01Å; F476-V640 HydrophobicContact CD2-CG2 4.16Å; F476-V640 HydrophobicContact CE1-CB 4.15Å; F476-V640 HydrophobicContact CE1-CG1 4.15Å; F476-V640 HydrophobicContact CE1-CG2 3.91Å; F476-V640 HydrophobicContact CE2-CG2 4.1Å; F476-V640 HydrophobicContact CG-CG2 4.13Å; F476-V640 HydrophobicContact CZ-CB 4.37Å; F476-V640 HydrophobicContact CZ-CG1 4Å; F476-V640 HydrophobicContact CZ-CG2 3.97Å; F476-T643 HydrophobicContact CD1-CG2 4.41Å; F476-T643 HydrophobicContact CE1-CG2 3.83Å
477	F	95.1	Very high	93.3	Very high	60 Å²	60	56.3 Å²	56.3	26%	0.263	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-72.5	-14.8	168.4	-69.2	-70.2	0	0	0	113.8	F314 T321 Y470 N474 F475 I479	F314-F477 HydrophobicContact CD2-CD1 4.27Å; F314-F477 AromaticContact CD2-CD2 3.91Å; F314-F477 HydrophobicContact CD2-CD2 3.91Å; F314-F477 HydrophobicContact CD2-CE1 4.07Å; F314-F477 AromaticContact CD2-CE2 3.68Å; F314-F477 HydrophobicContact CD2-CE2 3.68Å; F314-F477 HydrophobicContact CD2-CG 4.2Å; F314-F477 AromaticContact CD2-CZ 3.76Å; F314-F477 HydrophobicContact CD2-CZ 3.76Å; F314-F477 AromaticContact CE2-CD1 3.79Å; F314-F477 HydrophobicContact CE2-CD1 3.79Å; F314-F477 HydrophobicContact CE2-CD2 4.14Å; F314-F477 AromaticContact CE2-CE1 3.85Å; F314-F477 HydrophobicContact CE2-CE1 3.85Å; F314-F477 HydrophobicContact CE2-CE2 4.19Å; F314-F477 AromaticContact CE2-CG 3.94Å; F314-F477 HydrophobicContact CE2-CG 3.94Å; F314-F477 HydrophobicContact CE2-CZ 4.05Å; T321-F477 HydrophobicContact CG2-CD2 4.16Å; T321-F477 HydrophobicContact CG2-CE2 4.22Å; Y470-F477 HydrophobicContact CD1-CB 4.05Å; Y470-F477 HydrophobicContact CE1-CB 3.87Å; N474-F477 HydrophobicContact CB-CD2 4.17Å; N474-F477 WeakPolarHBondContact O-CB 3.49Å; N474-F477 WeakPolarHBondContact O-CD2 3.38Å; N474-F477 PolarHBondContact O-N 3.02Å; F475-F477 PolarHBondContact O-N 3.16Å; F475-F477 VanDerWaalsContact O-N 3.14Å; F477-I479 VanDerWaalsContact C-N 3.34Å
478	T	95.1	Very high	93.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-85.8	-7.3	175.2	71.9	0	0	0	0	112.9	V325 E327 K328 F329 Y470 F475 F476	V325-T478 HydrophobicContact CG1-CG2 4.3Å; E327-T478 WeakPolarHBondContact O-CB 3.33Å; K328-T478 CarbonylContact C-O 3.48Å; K328-T478 VanDerWaalsContact CA-O 3.31Å; K328-T478 WeakPolarHBondContact CA-O 3.17Å; F329-T478 WeakPolarHBondContact CD2-OG1 3.49Å; F329-T478 PolarHBondContact N-O 2.84Å; Y470-T478 HydrophobicContact CD1-CG2 4.22Å; Y470-T478 HydrophobicContact CG-CG2 4.15Å; F475-T478 VanDerWaalsContact CD2-OG1 3.25Å; F475-T478 WeakPolarHBondContact CD2-OG1 3.26Å; F475-T478 WeakPolarHBondContact CE2-OG1 2.76Å; F475-T478 WeakPolarHBondContact O-CB 3.46Å; F475-T478 PolarHBondContact O-N 3.26Å; F475-T478 PolarHBondContact O-OG1 3.15Å; F476-T478 VanDerWaalsContact C-N 3.26Å; F476-T478 PolarHBondContact O-N 3Å
479	I	96.1	Very high	93.4	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.5	-174.4	-55.6	-52.2	0	0	0	111.2	F329 I331 W340 F475 F476 F477 V639	F329-I479 HydrophobicContact CB-CD1 3.99Å; F329-I479 HydrophobicContact CD2-CD1 4.19Å; F329-I479 WeakPolarHBondContact O-CA 3.36Å; I331-I479 HydrophobicContact CD1-CG2 3.5Å; I331-I479 HydrophobicContact CG1-CG2 4.08Å; W340-I479 HydrophobicContact CH2-CD1 3.75Å; W340-I479 HydrophobicContact CZ3-CD1 3.89Å; F475-I479 HydrophobicContact CE1-CD1 4.34Å; F475-I479 HydrophobicContact CE2-CD1 3.75Å; F475-I479 HydrophobicContact CZ-CD1 3.61Å; F475-I479 HydrophobicContact CZ-CG1 4.31Å; F476-I479 PolarHBondContact O-N 2.86Å; F477-I479 VanDerWaalsContact C-N 3.34Å; I479-V639 HydrophobicContact CB-CG1 4.07Å; I479-V639 HydrophobicContact CG2-CG1 4.19Å
480	C	95.5	Very high	93.6	Very high	49 Å²	49	57.7 Å²	57.7	33%	0.331	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.9	170.6	-65.9	0	0	0	0	109.6	F329 E330 I331	F329-C480 PolarHBondContact O-N 2.88Å; E330-C480 HydrophobicContact CG-CB 4.13Å; I331-C480 PolarHBondContact N-O 3.01Å
481	C	95.3	Very high	93.7	Very high	32 Å²	32	57.4 Å²	57.4	22%	0.216	30%	0.295	C	S	.	.			trans	-95.3	162.8	178	-62.3	0	0	0	0	112.3	Y642	C481-Y642 HydrophobicContact CB-CD2 3.98Å; C481-Y642 HydrophobicContact CB-CE2 4.45Å; C481-Y642 HydrophobicContact CB-CG 4.13Å; C481-Y642 VanDerWaalsContact SG-CB 3.54Å
482	P	93.5	Very high	94	Very high	36 Å²	36	57 Å²	57	23%	0.234	30%	0.295	C	S	.	.			trans	-63.4	150.9	168.4	-19.2	33.4	0	0	0	112.2	I331 R484 Y642	I331-P482 WeakPolarHBondContact O-CD 3.23Å; P482-R484 PolarHBondContact O-N 2.76Å; P482-Y642 HydrophobicContact CG-CE1 3.91Å
483	N	88.9	Confident	94.4	Very high	182 Å²	182	59.2 Å²	59.2	97%	0.973	31%	0.306	S	S	*	.	S	Bend	trans	-76.7	38.8	175.9	-65.3	-24.3	0	0	0	113.2
484	R	91.1	Very high	94.6	Very high	145 Å²	145	63 Å²	63	55%	0.547	33%	0.326	S	S	.	.			trans	-119.8	141	-178.4	-176.1	-167.5	176.8	168.6	0.4	108.5	E333 P482 Y642	E333-R484 WeakPolarHBondContact OE1-CD 3.2Å; E333-R484 IonicContact OE1-CZ 2.71Å; E333-R484 IonicContact OE1-NE 3.07Å; E333-R484 IonicContact OE1-NH1 3.91Å; E333-R484 PolarHBondContact OE1-NH1 2.94Å; E333-R484 IonicContact OE2-NH1 2.72Å; E333-R484 PolarHBondContact OE2-NH1 2.8Å; P482-R484 PolarHBondContact O-N 2.76Å; R484-Y642 PolarHBondContact O-OH 2.6Å; R484-Y642 VanDerWaalsContact O-OH 3.05Å
485	H	93.7	Very high	94.8	Very high	132 Å²	132	61.8 Å²	61.8	61%	0.611	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-80	144.4	171.5	-68.9	-64	0	0	0	111.8	E638	H485-E638 WeakPolarHBondContact CA-OE1 3.48Å; H485-E638 WeakPolarHBondContact CB-OE1 3.46Å; H485-E638 IonicContact CE1-OE2 3.72Å; H485-E638 IonicContact CG-OE1 2.79Å; H485-E638 IonicContact ND1-OE1 2.79Å; H485-E638 PolarHBondContact ND1-OE1 3.49Å; H485-E638 IonicContact ND1-OE2 3.64Å; H485-E638 PolarHBondContact ND1-OE2 3.38Å
486	L	94.5	Very high	94.9	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.12	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-80.3	144.3	174.8	-66.2	177.8	0	0	0	110.5	I338 N488 T491 E638 D641 Y642 L645	I338-L486 HydrophobicContact CD1-CD2 3.6Å; L486-N488 PolarHBondContact O-N 2.91Å; L486-T491 HydrophobicContact CD1-CG2 4.45Å; L486-E638 PolarHBondContact N-OE1 2.78Å; L486-D641 HydrophobicContact CD1-CB 3.78Å; L486-Y642 HydrophobicContact CD1-CD2 3.89Å; L486-Y642 HydrophobicContact CD1-CE2 4.09Å; L486-Y642 HydrophobicContact CD1-CG 4.27Å; L486-Y642 HydrophobicContact CD2-CD1 4.34Å; L486-Y642 HydrophobicContact CD2-CD2 4.24Å; L486-Y642 HydrophobicContact CD2-CE1 3.86Å; L486-Y642 HydrophobicContact CD2-CE2 3.75Å; L486-Y642 HydrophobicContact CD2-CG 4.5Å; L486-Y642 HydrophobicContact CG-CD2 4.01Å; L486-Y642 HydrophobicContact CG-CE2 3.65Å; L486-L645 HydrophobicContact CD1-CD1 4.3Å; L486-L645 HydrophobicContact CD2-CD1 4.39Å
487	D	94.3	Very high	95	Very high	93 Å²	93	69 Å²	69	50%	0.497	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-76.4	116.5	162.3	-177	91.6	0	0	0	108.7	S489 Q490 T491	D487-S489 VanDerWaalsContact C-N 3.29Å; D487-S489 PolarHBondContact O-N 3.41Å; D487-S489 WeakPolarHBondContact OD2-CA 3.5Å; D487-S489 VanDerWaalsContact OD2-CB 3.31Å; D487-S489 WeakPolarHBondContact OD2-CB 3.47Å; D487-S489 PolarHBondContact OD2-N 3.23Å; D487-Q490 HydrophobicContact CB-CB 4Å; D487-Q490 PolarHBondContact O-N 3.45Å; D487-Q490 PolarHBondContact OD2-N 3.08Å; D487-T491 WeakPolarHBondContact O-CB 3.33Å; D487-T491 PolarHBondContact O-N 3.46Å; D487-T491 PolarHBondContact O-OG1 3.48Å
488	N	92.4	Very high	95.1	Very high	80 Å²	80	66.3 Å²	66.3	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-37.3	-175.9	-67.4	-24	0	0	0	112.3	L486 T491 E492	L486-N488 PolarHBondContact O-N 2.91Å; N488-T491 PolarHBondContact O-N 2.86Å; N488-E492 WeakPolarHBondContact O-CB 3.39Å; N488-E492 PolarHBondContact O-N 3.11Å
489	S	94.7	Very high	95.2	Very high	76 Å²	76	66.5 Å²	66.5	53%	0.531	35%	0.351	S	S	.	.	H	α-helix	trans	-70.7	-47.6	-178.6	-176.2	0	0	0	0	110.7	D487 T491 N493	D487-S489 VanDerWaalsContact C-N 3.29Å; D487-S489 PolarHBondContact O-N 3.41Å; D487-S489 WeakPolarHBondContact OD2-CA 3.5Å; D487-S489 VanDerWaalsContact OD2-CB 3.31Å; D487-S489 WeakPolarHBondContact OD2-CB 3.47Å; D487-S489 PolarHBondContact OD2-N 3.23Å; S489-T491 VanDerWaalsContact C-N 3.28Å; S489-T491 PolarHBondContact O-N 3.41Å; S489-N493 VanDerWaalsContact O-CB 3.31Å; S489-N493 WeakPolarHBondContact O-CB 3.41Å; S489-N493 PolarHBondContact O-N 2.85Å; S489-N493 PolarHBondContact O-ND2 3.02Å
490	Q	95.3	Very high	95.3	Very high	122 Å²	122	73.5 Å²	73.5	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-62.2	-37.7	175.5	-164.6	179.9	29.4	0	0	111.3	D487 N494	D487-Q490 HydrophobicContact CB-CB 4Å; D487-Q490 PolarHBondContact O-N 3.45Å; D487-Q490 PolarHBondContact OD2-N 3.08Å; Q490-N494 VanDerWaalsContact O-CB 3.25Å; Q490-N494 WeakPolarHBondContact O-CB 3.47Å; Q490-N494 PolarHBondContact O-N 3.17Å; Q490-N494 PolarHBondContact O-ND2 2.81Å; Q490-N494 VanDerWaalsContact O-ND2 3.17Å
491	T	96.6	Very high	95.3	Very high	5 Å²	5	74.4 Å²	74.4	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-51.3	178.1	-63.1	0	0	0	0	112	L486 D487 N488 S489 N493 N494 I495 D641 L645	L486-T491 HydrophobicContact CD1-CG2 4.45Å; D487-T491 WeakPolarHBondContact O-CB 3.33Å; D487-T491 PolarHBondContact O-N 3.46Å; D487-T491 PolarHBondContact O-OG1 3.48Å; N488-T491 PolarHBondContact O-N 2.86Å; S489-T491 VanDerWaalsContact C-N 3.28Å; S489-T491 PolarHBondContact O-N 3.41Å; T491-N493 PolarHBondContact O-N 2.8Å; T491-N494 PolarHBondContact O-N 3.12Å; T491-I495 HydrophobicContact CG2-CD1 3.92Å; T491-I495 WeakPolarHBondContact O-CB 3.47Å; T491-I495 WeakPolarHBondContact O-CG1 3.43Å; T491-I495 PolarHBondContact O-N 3.21Å; T491-D641 HydrophobicContact CG2-CB 4.02Å; T491-L645 HydrophobicContact CG2-CD1 4.15Å
492	E	96.6	Very high	95.4	Very high	61 Å²	61	73 Å²	73	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-44.2	177	-177.5	153.8	-151	0	0	110.8	N488 N494 I495 E496 K607	N488-E492 WeakPolarHBondContact O-CB 3.39Å; N488-E492 PolarHBondContact O-N 3.11Å; E492-N494 PolarHBondContact O-N 2.87Å; E492-I495 PolarHBondContact O-N 2.74Å; E492-E496 HydrophobicContact CG-CG 4.27Å; E492-E496 WeakPolarHBondContact O-CB 3.31Å; E492-E496 VanDerWaalsContact O-CG 3.28Å; E492-E496 WeakPolarHBondContact O-CG 3.44Å; E492-E496 PolarHBondContact O-N 2.82Å; E492-K607 IonicContact OE1-NZ 3.17Å; E492-K607 PolarHBondContact OE1-NZ 2.69Å
493	N	96.9	Very high	95.5	Very high	100 Å²	100	78.6 Å²	78.6	54%	0.535	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-43.1	175.4	-81.8	-68.2	0	0	0	113.1	S489 T491 S497	S489-N493 VanDerWaalsContact O-CB 3.31Å; S489-N493 WeakPolarHBondContact O-CB 3.41Å; S489-N493 PolarHBondContact O-N 2.85Å; S489-N493 PolarHBondContact O-ND2 3.02Å; T491-N493 PolarHBondContact O-N 2.8Å; N493-S497 WeakPolarHBondContact O-CB 3.42Å; N493-S497 PolarHBondContact O-N 3.16Å
494	N	96.6	Very high	95.9	Very high	82 Å²	82	74.3 Å²	74.3	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-44	177.4	-79.9	-25.8	0	0	0	111.8	Q490 T491 E492 F498 L645	Q490-N494 VanDerWaalsContact O-CB 3.25Å; Q490-N494 WeakPolarHBondContact O-CB 3.47Å; Q490-N494 PolarHBondContact O-N 3.17Å; Q490-N494 PolarHBondContact O-ND2 2.81Å; Q490-N494 VanDerWaalsContact O-ND2 3.17Å; T491-N494 PolarHBondContact O-N 3.12Å; E492-N494 PolarHBondContact O-N 2.87Å; N494-F498 WeakPolarHBondContact O-CB 3.43Å; N494-F498 PolarHBondContact O-N 3.3Å; N494-L645 HydrophobicContact CB-CD2 4.09Å
495	I	97.6	Very high	96.2	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.8	-41.6	-179.4	-73	170.5	0	0	0	110.9	T491 E492 A499 V603 H606 I644 L645 F648	T491-I495 HydrophobicContact CG2-CD1 3.92Å; T491-I495 WeakPolarHBondContact O-CB 3.47Å; T491-I495 WeakPolarHBondContact O-CG1 3.43Å; T491-I495 PolarHBondContact O-N 3.21Å; E492-I495 PolarHBondContact O-N 2.74Å; I495-A499 VanDerWaalsContact O-CB 3.3Å; I495-A499 WeakPolarHBondContact O-CB 3.18Å; I495-A499 PolarHBondContact O-N 2.81Å; I495-V603 HydrophobicContact CG2-CB 4.4Å; I495-V603 HydrophobicContact CG2-CG1 4.21Å; I495-V603 HydrophobicContact CG2-CG2 3.76Å; I495-H606 HydrophobicContact CD1-CB 4.24Å; I495-H606 HydrophobicContact CG2-CB 4.46Å; I495-I644 HydrophobicContact CD1-CG2 4Å; I495-I644 HydrophobicContact CG1-CG2 4.2Å; I495-L645 HydrophobicContact CD1-CD2 4.27Å; I495-L645 HydrophobicContact CD1-CG 4.47Å; I495-L645 HydrophobicContact CG1-CD2 3.9Å; I495-F648 HydrophobicContact CB-CE2 4.45Å; I495-F648 HydrophobicContact CG1-CD2 4.45Å; I495-F648 HydrophobicContact CG1-CE2 4.27Å; I495-F648 HydrophobicContact CG2-CE2 4.14Å
496	E	97.2	Very high	96.2	Very high	81 Å²	81	64.9 Å²	64.9	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-40.1	174.2	-70.9	-123.3	141.8	0	0	112.9	E492 A499 R500 K607	E492-E496 HydrophobicContact CG-CG 4.27Å; E492-E496 WeakPolarHBondContact O-CB 3.31Å; E492-E496 VanDerWaalsContact O-CG 3.28Å; E492-E496 WeakPolarHBondContact O-CG 3.44Å; E492-E496 PolarHBondContact O-N 2.82Å; E496-A499 PolarHBondContact O-N 3.36Å; E496-R500 WeakPolarHBondContact O-CB 3.36Å; E496-R500 PolarHBondContact O-N 3.46Å; E496-K607 WeakPolarHBondContact OE1-CE 3.43Å; E496-K607 IonicContact OE1-NZ 2.6Å; E496-K607 PolarHBondContact OE1-NZ 2.76Å
497	S	97	Very high	96.3	Very high	73 Å²	73	66.6 Å²	66.6	51%	0.51	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-47	176.2	-176.3	0	0	0	0	111.4	N493 A499 R500 M501	N493-S497 WeakPolarHBondContact O-CB 3.42Å; N493-S497 PolarHBondContact O-N 3.16Å; S497-A499 VanDerWaalsContact C-N 3.35Å; S497-A499 PolarHBondContact O-N 3.35Å; S497-R500 WeakPolarHBondContact O-CB 3.38Å; S497-R500 PolarHBondContact O-N 2.88Å; S497-M501 PolarHBondContact O-N 2.66Å
498	F	97.4	Very high	96.4	Very high	4 Å²	4	65 Å²	65	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-39.4	173.9	-175.1	-89	0	0	0	112.2	N494 R500 M501 G502 I599 F648 F651	N494-F498 WeakPolarHBondContact O-CB 3.43Å; N494-F498 PolarHBondContact O-N 3.3Å; F498-R500 VanDerWaalsContact C-N 3.3Å; F498-R500 PolarHBondContact O-N 3.13Å; F498-M501 HydrophobicContact CD2-CE 3.66Å; F498-M501 HydrophobicContact CD2-SD 4.37Å; F498-M501 HydrophobicContact CE2-CE 3.51Å; F498-M501 HydrophobicContact CG-CE 4.27Å; F498-M501 HydrophobicContact CZ-CE 4.01Å; F498-M501 WeakPolarHBondContact O-CB 3.47Å; F498-M501 PolarHBondContact O-N 3.13Å; F498-G502 PolarHBondContact O-N 3.38Å; F498-I599 HydrophobicContact CD1-CD1 4.36Å; F498-I599 HydrophobicContact CD1-CG2 4.2Å; F498-I599 HydrophobicContact CE1-CD1 3.6Å; F498-I599 HydrophobicContact CE1-CG1 4.03Å; F498-I599 HydrophobicContact CE1-CG2 4.25Å; F498-I599 HydrophobicContact CZ-CD1 4.27Å; F498-F648 HydrophobicContact CB-CD2 3.77Å; F498-F648 HydrophobicContact CB-CE2 4.17Å; F498-F648 HydrophobicContact CD1-CB 3.98Å; F498-F648 AromaticContact CD1-CD1 3.73Å; F498-F648 HydrophobicContact CD1-CD1 3.73Å; F498-F648 AromaticContact CD1-CD2 3.18Å; F498-F648 HydrophobicContact CD1-CD2 3.18Å; F498-F648 AromaticContact CD1-CE1 3.9Å; F498-F648 HydrophobicContact CD1-CE1 3.9Å; F498-F648 AromaticContact CD1-CE2 3.37Å; F498-F648 HydrophobicContact CD1-CE2 3.37Å; F498-F648 AromaticContact CD1-CG 3.35Å; F498-F648 HydrophobicContact CD1-CG 3.35Å; F498-F648 AromaticContact CD1-CZ 3.73Å; F498-F648 HydrophobicContact CD1-CZ 3.73Å; F498-F648 HydrophobicContact CD2-CB 3.85Å; F498-F648 HydrophobicContact CD2-CD2 4.26Å; F498-F648 HydrophobicContact CD2-CG 4.17Å; F498-F648 HydrophobicContact CE1-CB 3.87Å; F498-F648 AromaticContact CE1-CD1 3.3Å; F498-F648 HydrophobicContact CE1-CD1 3.3Å; F498-F648 AromaticContact CE1-CD2 3.71Å; F498-F648 HydrophobicContact CE1-CD2 3.71Å; F498-F648 AromaticContact CE1-CE1 3.62Å; F498-F648 HydrophobicContact CE1-CE1 3.62Å; F498-F648 AromaticContact CE1-CE2 3.98Å; F498-F648 HydrophobicContact CE1-CE2 3.98Å; F498-F648 AromaticContact CE1-CG 3.34Å; F498-F648 HydrophobicContact CE1-CG 3.34Å; F498-F648 AromaticContact CE1-CZ 3.94Å; F498-F648 HydrophobicContact CE1-CZ 3.94Å; F498-F648 HydrophobicContact CE2-CB 3.74Å; F498-F648 HydrophobicContact CE2-CG 4.16Å; F498-F648 WeakPolarHBondContact CE2-O 3.42Å; F498-F648 HydrophobicContact CG-CB 3.95Å; F498-F648 AromaticContact CG-CD2 3.48Å; F498-F648 HydrophobicContact CG-CD2 3.48Å; F498-F648 VanDerWaalsContact CG-CD2 3.48Å; F498-F648 HydrophobicContact CG-CE2 4.02Å; F498-F648 AromaticContact CG-CG 3.77Å; F498-F648 HydrophobicContact CG-CG 3.77Å; F498-F648 HydrophobicContact CZ-CB 3.73Å; F498-F648 AromaticContact CZ-CD1 3.83Å; F498-F648 HydrophobicContact CZ-CD1 3.83Å; F498-F648 HydrophobicContact CZ-CD2 4.42Å; F498-F648 AromaticContact CZ-CG 3.75Å; F498-F648 HydrophobicContact CZ-CG 3.75Å; F498-F651 AromaticContact CE2-CD1 3.99Å; F498-F651 HydrophobicContact CE2-CD1 3.99Å; F498-F651 HydrophobicContact CZ-CB 4.17Å; F498-F651 AromaticContact CZ-CD1 3.49Å; F498-F651 HydrophobicContact CZ-CD1 3.49Å; F498-F651 VanDerWaalsContact CZ-CD1 3.49Å; F498-F651 HydrophobicContact CZ-CE1 4.24Å; F498-F651 HydrophobicContact CZ-CG 4.09Å
499	A	97.6	Very high	96.6	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-35.3	175.3	0	0	0	0	0	112.7	I495 E496 S497 R503 I599 V603	I495-A499 VanDerWaalsContact O-CB 3.3Å; I495-A499 WeakPolarHBondContact O-CB 3.18Å; I495-A499 PolarHBondContact O-N 2.81Å; E496-A499 PolarHBondContact O-N 3.36Å; S497-A499 VanDerWaalsContact C-N 3.35Å; S497-A499 PolarHBondContact O-N 3.35Å; A499-R503 WeakPolarHBondContact O-CG 3.43Å; A499-R503 PolarHBondContact O-N 3.25Å; A499-R503 PolarHBondContact O-NH1 2.88Å; A499-R503 VanDerWaalsContact O-NH1 3.08Å; A499-I599 HydrophobicContact CB-CG2 4.32Å; A499-V603 HydrophobicContact CB-CG2 3.75Å
500	R	97.9	Very high	96.6	Very high	163 Å²	163	63 Å²	63	62%	0.615	32%	0.317	S	S	*	.	H	α-helix	trans	-65.1	-48.8	173.8	-165.7	-173.8	-56.8	-152.4	2.3	110.7	E496 S497 F498 G502 R503 T504	E496-R500 WeakPolarHBondContact O-CB 3.36Å; E496-R500 PolarHBondContact O-N 3.46Å; S497-R500 WeakPolarHBondContact O-CB 3.38Å; S497-R500 PolarHBondContact O-N 2.88Å; F498-R500 VanDerWaalsContact C-N 3.3Å; F498-R500 PolarHBondContact O-N 3.13Å; R500-G502 VanDerWaalsContact C-N 3.34Å; R500-G502 PolarHBondContact O-N 2.89Å; R500-R503 PolarHBondContact O-N 3.09Å; R500-T504 PolarHBondContact O-N 3.48Å; R500-T504 VanDerWaalsContact O-N 3.13Å; R500-T504 PolarHBondContact O-OG1 2.86Å
501	M	96.4	Very high	96.6	Very high	68 Å²	68	60.6 Å²	60.6	34%	0.335	31%	0.314	S	S	.	.	H	α-helix	trans	-57	-44.3	173.9	-178.6	-149.6	74.3	0	0	111.9	S497 F498 R503 T504 M505 F651	S497-M501 PolarHBondContact O-N 2.66Å; F498-M501 HydrophobicContact CD2-CE 3.66Å; F498-M501 HydrophobicContact CD2-SD 4.37Å; F498-M501 HydrophobicContact CE2-CE 3.51Å; F498-M501 HydrophobicContact CG-CE 4.27Å; F498-M501 HydrophobicContact CZ-CE 4.01Å; F498-M501 WeakPolarHBondContact O-CB 3.47Å; F498-M501 PolarHBondContact O-N 3.13Å; M501-R503 PolarHBondContact O-N 3.19Å; M501-T504 PolarHBondContact O-N 3.47Å; M501-T504 PolarHBondContact O-OG1 3.08Å; M501-T504 VanDerWaalsContact O-OG1 3.05Å; M501-M505 VanDerWaalsContact O-CB 3.22Å; M501-M505 WeakPolarHBondContact O-CB 3.34Å; M501-M505 PolarHBondContact O-N 3.36Å; M501-F651 HydrophobicContact CE-CE1 4.41Å
502	G	96.8	Very high	96.6	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-44.3	178.6	0	0	0	0	0	112.6	F498 R500 E506	F498-G502 PolarHBondContact O-N 3.38Å; R500-G502 VanDerWaalsContact C-N 3.34Å; R500-G502 PolarHBondContact O-N 2.89Å; G502-E506 WeakPolarHBondContact O-CB 3.26Å; G502-E506 PolarHBondContact O-N 3.38Å
503	R	96.1	Very high	96.6	Very high	153 Å²	153	63.1 Å²	63.1	58%	0.577	32%	0.324	S	S	*	.	H	α-helix	trans	-65.8	-41.5	177.7	-70.1	-173.5	-59.5	-89	10.1	113	A499 R500 M501 S507	A499-R503 WeakPolarHBondContact O-CG 3.43Å; A499-R503 PolarHBondContact O-N 3.25Å; A499-R503 PolarHBondContact O-NH1 2.88Å; A499-R503 VanDerWaalsContact O-NH1 3.08Å; R500-R503 PolarHBondContact O-N 3.09Å; M501-R503 PolarHBondContact O-N 3.19Å; R503-S507 PolarHBondContact O-N 3.4Å
504	T	97.1	Very high	96.5	Very high	92 Å²	92	61 Å²	61	56%	0.564	32%	0.32	S	S	*	.	H	α-helix	trans	-69.8	-41.1	177.8	55	0	0	0	0	111.5	R500 M501 S507 A508	R500-T504 PolarHBondContact O-N 3.48Å; R500-T504 VanDerWaalsContact O-N 3.13Å; R500-T504 PolarHBondContact O-OG1 2.86Å; M501-T504 PolarHBondContact O-N 3.47Å; M501-T504 PolarHBondContact O-OG1 3.08Å; M501-T504 VanDerWaalsContact O-OG1 3.05Å; T504-S507 PolarHBondContact O-N 2.95Å; T504-A508 PolarHBondContact O-N 3.5Å
505	M	96.8	Very high	96.5	Very high	35 Å²	35	62.4 Å²	62.4	17%	0.172	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-44.6	174.8	-174	177.9	-179.7	0	0	112.1	M501 S507 A508 L509 Y592 L596 F651 C655 F659	M501-M505 VanDerWaalsContact O-CB 3.22Å; M501-M505 WeakPolarHBondContact O-CB 3.34Å; M501-M505 PolarHBondContact O-N 3.36Å; M505-S507 VanDerWaalsContact C-N 3.27Å; M505-S507 PolarHBondContact O-N 2.91Å; M505-A508 PolarHBondContact O-N 3.36Å; M505-L509 HydrophobicContact CE-CD1 4.27Å; M505-L509 HydrophobicContact CG-CD1 4.29Å; M505-L509 WeakPolarHBondContact O-CB 3.41Å; M505-L509 WeakPolarHBondContact O-CG 3.4Å; M505-L509 PolarHBondContact O-N 3.44Å; M505-Y592 HydrophobicContact CE-CD1 4.41Å; M505-L596 HydrophobicContact CB-CD1 4.28Å; M505-L596 HydrophobicContact CB-CD2 4.41Å; M505-L596 HydrophobicContact CG-CD1 3.89Å; M505-L596 HydrophobicContact CG-CD2 4.44Å; M505-L596 HydrophobicContact SD-CD1 4.16Å; M505-L596 HydrophobicContact SD-CD2 4.03Å; M505-F651 HydrophobicContact SD-CE1 4.45Å; M505-C655 HydrophobicContact CE-CB 4.48Å; M505-F659 HydrophobicContact CE-CD2 4.36Å; M505-F659 HydrophobicContact CE-CE1 4.22Å; M505-F659 HydrophobicContact CE-CE2 3.48Å; M505-F659 VanDerWaalsContact CE-CE2 3.48Å; M505-F659 HydrophobicContact CE-CZ 3.4Å; M505-F659 VanDerWaalsContact CE-CZ 3.4Å
506	E	95.2	Very high	96.4	Very high	43 Å²	43	62.7 Å²	62.7	20%	0.201	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-36.2	177.7	-163.7	-142	-176.3	0	0	111.6	G502 R510 L596	G502-E506 WeakPolarHBondContact O-CB 3.26Å; G502-E506 PolarHBondContact O-N 3.38Å; E506-R510 VanDerWaalsContact CD-CZ 3.49Å; E506-R510 WeakPolarHBondContact O-CG 3.49Å; E506-R510 PolarHBondContact O-N 3.3Å; E506-R510 VanDerWaalsContact O-N 3.13Å; E506-R510 IonicContact OE1-CZ 2.62Å; E506-R510 IonicContact OE1-NH1 2.67Å; E506-R510 PolarHBondContact OE1-NH1 3.06Å; E506-R510 IonicContact OE2-CZ 2.71Å; E506-R510 IonicContact OE2-NH1 2.86Å; E506-R510 PolarHBondContact OE2-NH1 3.31Å; E506-R510 IonicContact OE2-NH2 2.77Å; E506-R510 PolarHBondContact OE2-NH2 3.48Å; E506-L596 HydrophobicContact CB-CB 4.2Å; E506-L596 HydrophobicContact CB-CD1 4.04Å; E506-L596 HydrophobicContact CG-CB 4.19Å; E506-L596 HydrophobicContact CG-CD1 4.47Å
507	S	96	Very high	96.3	Very high	60 Å²	60	63.1 Å²	63.1	42%	0.42	33%	0.33	S	S	.	.	H	α-helix	trans	-69.4	-44.4	174.1	-149.6	0	0	0	0	112.6	R503 T504 M505 L509 R510 S511	R503-S507 PolarHBondContact O-N 3.4Å; T504-S507 PolarHBondContact O-N 2.95Å; M505-S507 VanDerWaalsContact C-N 3.27Å; M505-S507 PolarHBondContact O-N 2.91Å; S507-L509 VanDerWaalsContact C-N 3.34Å; S507-L509 PolarHBondContact O-N 3.35Å; S507-R510 PolarHBondContact O-N 2.92Å; S507-S511 PolarHBondContact O-N 2.95Å; S507-S511 VanDerWaalsContact O-N 3.16Å; S507-S511 PolarHBondContact O-OG 2.81Å
508	A	96.3	Very high	96.2	Very high	60 Å²	60	63.6 Å²	63.6	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-41.6	176.5	0	0	0	0	0	111.9	T504 M505 S511 F512	T504-A508 PolarHBondContact O-N 3.5Å; M505-A508 PolarHBondContact O-N 3.36Å; A508-S511 PolarHBondContact O-N 3.42Å; A508-F512 WeakPolarHBondContact O-CB 3.38Å; A508-F512 PolarHBondContact O-N 3.08Å
509	L	96.3	Very high	96	Very high	9 Å²	9	66.8 Å²	66.8	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-37.4	176.7	-73.5	179.5	0	0	0	113.1	M505 S507 H513 F589 L596 F659	M505-L509 HydrophobicContact CE-CD1 4.27Å; M505-L509 HydrophobicContact CG-CD1 4.29Å; M505-L509 WeakPolarHBondContact O-CB 3.41Å; M505-L509 WeakPolarHBondContact O-CG 3.4Å; M505-L509 PolarHBondContact O-N 3.44Å; S507-L509 VanDerWaalsContact C-N 3.34Å; S507-L509 PolarHBondContact O-N 3.35Å; L509-H513 WeakPolarHBondContact O-CB 3.36Å; L509-H513 PolarHBondContact O-N 3.34Å; L509-F589 HydrophobicContact CD2-CB 4.41Å; L509-F589 HydrophobicContact CD2-CD1 3.55Å; L509-F589 HydrophobicContact CD2-CE1 3.93Å; L509-F589 HydrophobicContact CD2-CG 3.99Å; L509-L596 HydrophobicContact CD1-CD1 3.71Å; L509-F659 HydrophobicContact CD1-CZ 4.36Å; L509-F659 HydrophobicContact CD2-CE1 3.98Å; L509-F659 HydrophobicContact CD2-CZ 3.93Å
510	R	94.9	Very high	95.9	Very high	105 Å²	105	67.1 Å²	67.1	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-49.3	171.8	-80.6	-176.6	-73.5	-108.3	-10.1	111.6	E506 S507 A514	E506-R510 VanDerWaalsContact CD-CZ 3.49Å; E506-R510 WeakPolarHBondContact O-CG 3.49Å; E506-R510 PolarHBondContact O-N 3.3Å; E506-R510 VanDerWaalsContact O-N 3.13Å; E506-R510 IonicContact OE1-CZ 2.62Å; E506-R510 IonicContact OE1-NH1 2.67Å; E506-R510 PolarHBondContact OE1-NH1 3.06Å; E506-R510 IonicContact OE2-CZ 2.71Å; E506-R510 IonicContact OE2-NH1 2.86Å; E506-R510 PolarHBondContact OE2-NH1 3.31Å; E506-R510 IonicContact OE2-NH2 2.77Å; E506-R510 PolarHBondContact OE2-NH2 3.48Å; S507-R510 PolarHBondContact O-N 2.92Å; R510-A514 PolarHBondContact O-N 3.22Å; R510-A514 VanDerWaalsContact O-N 3.14Å
511	S	96.3	Very high	95.8	Very high	71 Å²	71	63.8 Å²	63.8	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-43.4	179.7	-58.9	0	0	0	0	112.1	S507 A508 A514 I515	S507-S511 PolarHBondContact O-N 2.95Å; S507-S511 VanDerWaalsContact O-N 3.16Å; S507-S511 PolarHBondContact O-OG 2.81Å; A508-S511 PolarHBondContact O-N 3.42Å; S511-A514 PolarHBondContact O-N 3.01Å; S511-I515 WeakPolarHBondContact O-CG1 3.37Å; S511-I515 PolarHBondContact O-N 3.29Å; S511-I515 VanDerWaalsContact O-N 3.14Å
512	F	95.5	Very high	95.7	Very high	67 Å²	67	64.8 Å²	64.8	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-69.3	-39	-179.6	-166.7	-170.6	0	0	0	111.9	A508 A514 I515 V516 L585 F589 I663	A508-F512 WeakPolarHBondContact O-CB 3.38Å; A508-F512 PolarHBondContact O-N 3.08Å; F512-A514 VanDerWaalsContact C-N 3.33Å; F512-A514 PolarHBondContact O-N 3.2Å; F512-I515 PolarHBondContact O-N 2.99Å; F512-V516 HydrophobicContact CD2-CG2 3.68Å; F512-V516 HydrophobicContact CE2-CG2 3.52Å; F512-V516 HydrophobicContact CZ-CG2 4.37Å; F512-V516 WeakPolarHBondContact O-CG2 3.46Å; F512-V516 PolarHBondContact O-N 3.05Å; F512-L585 HydrophobicContact CZ-CD2 4.46Å; F512-F589 HydrophobicContact CB-CE2 4.21Å; F512-F589 HydrophobicContact CB-CZ 4.48Å; F512-F589 HydrophobicContact CD1-CE1 4.13Å; F512-F589 AromaticContact CD1-CE2 3.86Å; F512-F589 HydrophobicContact CD1-CE2 3.86Å; F512-F589 AromaticContact CD1-CZ 3.33Å; F512-F589 HydrophobicContact CD1-CZ 3.33Å; F512-F589 HydrophobicContact CD2-CE2 4.32Å; F512-F589 HydrophobicContact CD2-CZ 4.41Å; F512-F589 HydrophobicContact CE1-CE1 4.29Å; F512-F589 HydrophobicContact CE1-CE2 4.31Å; F512-F589 AromaticContact CE1-CZ 3.49Å; F512-F589 HydrophobicContact CE1-CZ 3.49Å; F512-F589 VanDerWaalsContact CE1-CZ 3.49Å; F512-F589 AromaticContact CG-CE2 3.86Å; F512-F589 HydrophobicContact CG-CE2 3.86Å; F512-F589 AromaticContact CG-CZ 3.83Å; F512-F589 HydrophobicContact CG-CZ 3.83Å; F512-F589 HydrophobicContact CZ-CZ 4.1Å; F512-I663 HydrophobicContact CE1-CD1 4.07Å
513	H	95.7	Very high	95.6	Very high	52 Å²	52	64.7 Å²	64.7	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-44.7	171.7	-176.3	-55.5	0	0	0	111.6	L509 I515 V516 Q517 F589	L509-H513 WeakPolarHBondContact O-CB 3.36Å; L509-H513 PolarHBondContact O-N 3.34Å; H513-I515 VanDerWaalsContact C-N 3.34Å; H513-I515 PolarHBondContact O-N 3.05Å; H513-V516 PolarHBondContact O-N 3.4Å; H513-Q517 PolarHBondContact CE1-OE1 3.43Å; H513-Q517 WeakPolarHBondContact O-CB 3.15Å; H513-Q517 PolarHBondContact O-N 3.4Å; H513-F589 HydrophobicContact CB-CD2 3.94Å
514	A	96.3	Very high	95.5	Very high	54 Å²	54	60 Å²	60	45%	0.446	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-42.9	177.9	0	0	0	0	0	111.9	R510 S511 F512 Q517 E518	R510-A514 PolarHBondContact O-N 3.22Å; R510-A514 VanDerWaalsContact O-N 3.14Å; S511-A514 PolarHBondContact O-N 3.01Å; F512-A514 VanDerWaalsContact C-N 3.33Å; F512-A514 PolarHBondContact O-N 3.2Å; A514-Q517 PolarHBondContact O-N 3.26Å; A514-E518 WeakPolarHBondContact O-CB 3.44Å; A514-E518 PolarHBondContact O-N 2.83Å
515	I	96.1	Very high	95.3	Very high	112 Å²	112	59.3 Å²	59.3	57%	0.574	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-46.4	176.8	-65.7	164.2	0	0	0	111.5	S511 F512 H513 E518 Q519	S511-I515 WeakPolarHBondContact O-CG1 3.37Å; S511-I515 PolarHBondContact O-N 3.29Å; S511-I515 VanDerWaalsContact O-N 3.14Å; F512-I515 PolarHBondContact O-N 2.99Å; H513-I515 VanDerWaalsContact C-N 3.34Å; H513-I515 PolarHBondContact O-N 3.05Å; I515-E518 PolarHBondContact O-N 3.12Å; I515-Q519 WeakPolarHBondContact O-CB 3.47Å; I515-Q519 PolarHBondContact O-N 2.67Å
516	V	94.9	Very high	95.2	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-40.3	179.5	173.8	0	0	0	0	111.5	F512 H513 Q519 A520 L582 L585 M586 F589	F512-V516 HydrophobicContact CD2-CG2 3.68Å; F512-V516 HydrophobicContact CE2-CG2 3.52Å; F512-V516 HydrophobicContact CZ-CG2 4.37Å; F512-V516 WeakPolarHBondContact O-CG2 3.46Å; F512-V516 PolarHBondContact O-N 3.05Å; H513-V516 PolarHBondContact O-N 3.4Å; V516-Q519 PolarHBondContact O-N 2.92Å; V516-A520 WeakPolarHBondContact O-CB 3.5Å; V516-A520 PolarHBondContact O-N 3.46Å; V516-L582 HydrophobicContact CG1-CB 3.88Å; V516-L582 HydrophobicContact CG1-CD2 4.21Å; V516-L585 HydrophobicContact CG1-CD2 4.19Å; V516-L585 HydrophobicContact CG2-CD2 3.83Å; V516-M586 HydrophobicContact CB-CG 4.13Å; V516-M586 HydrophobicContact CB-SD 4.43Å; V516-M586 HydrophobicContact CG1-CE 4.44Å; V516-M586 HydrophobicContact CG1-CG 3.63Å; V516-M586 HydrophobicContact CG1-SD 4Å; V516-F589 HydrophobicContact CG2-CE2 4.17Å
517	Q	95.3	Very high	95.1	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-41.2	178	-168.6	176.6	13.9	0	0	111.8	H513 A514 A520 K521 M586	H513-Q517 PolarHBondContact CE1-OE1 3.43Å; H513-Q517 WeakPolarHBondContact O-CB 3.15Å; H513-Q517 PolarHBondContact O-N 3.4Å; A514-Q517 PolarHBondContact O-N 3.26Å; Q517-A520 PolarHBondContact O-N 3.45Å; Q517-K521 WeakPolarHBondContact O-CG 3.48Å; Q517-K521 PolarHBondContact O-N 2.98Å; Q517-M586 VanDerWaalsContact CA-SD 3.56Å; Q517-M586 HydrophobicContact CB-SD 3.61Å; Q517-M586 HydrophobicContact CG-SD 4.1Å
518	E	95.6	Very high	95.1	Very high	84 Å²	84	58.9 Å²	58.9	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-72.3	-39.4	177.6	-155.2	55.7	-131.3	0	0	111.6	A514 I515 A520 K521 H522	A514-E518 WeakPolarHBondContact O-CB 3.44Å; A514-E518 PolarHBondContact O-N 2.83Å; I515-E518 PolarHBondContact O-N 3.12Å; E518-A520 VanDerWaalsContact C-N 3.31Å; E518-A520 PolarHBondContact O-N 2.98Å; E518-K521 WeakPolarHBondContact O-CB 3.37Å; E518-K521 PolarHBondContact O-N 3.45Å; E518-K521 WeakPolarHBondContact OE1-CD 3.37Å; E518-K521 IonicContact OE1-NZ 3.59Å; E518-K521 IonicContact OE2-NZ 3.53Å; E518-K521 PolarHBondContact OE2-NZ 3.26Å; E518-H522 PolarHBondContact O-CD2 3.06Å; E518-H522 VanDerWaalsContact O-CD2 3.27Å; E518-H522 PolarHBondContact O-N 3.2Å
519	Q	93.4	Very high	95.1	Very high	71 Å²	71	63.4 Å²	63.4	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-42	172.3	-178.5	64.4	6	0	0	111.8	I515 V516 K521 H522 M523 L582	I515-Q519 WeakPolarHBondContact O-CB 3.47Å; I515-Q519 PolarHBondContact O-N 2.67Å; V516-Q519 PolarHBondContact O-N 2.92Å; Q519-K521 PolarHBondContact O-N 3.27Å; Q519-H522 PolarHBondContact O-N 3.16Å; Q519-M523 HydrophobicContact CG-SD 4.27Å; Q519-M523 VanDerWaalsContact O-CG 3.31Å; Q519-M523 WeakPolarHBondContact O-CG 3.29Å; Q519-M523 PolarHBondContact O-N 3.36Å; Q519-L582 HydrophobicContact CG-CD1 4.27Å
520	A	94.8	Very high	95	Very high	11 Å²	11	66.6 Å²	66.6	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-47.2	175	0	0	0	0	0	111.7	V516 Q517 E518 H522 M523 V524 P578 L582	V516-A520 WeakPolarHBondContact O-CB 3.5Å; V516-A520 PolarHBondContact O-N 3.46Å; Q517-A520 PolarHBondContact O-N 3.45Å; E518-A520 VanDerWaalsContact C-N 3.31Å; E518-A520 PolarHBondContact O-N 2.98Å; A520-H522 PolarHBondContact O-N 3.02Å; A520-M523 PolarHBondContact O-N 2.96Å; A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 2.99Å; A520-V524 VanDerWaalsContact O-N 3.11Å; A520-P578 HydrophobicContact CB-CB 3.91Å; A520-P578 HydrophobicContact CB-CG 4.35Å; A520-L582 HydrophobicContact CB-CB 4.46Å; A520-L582 HydrophobicContact CB-CD1 4.03Å
521	K	95.4	Very high	95.1	Very high	94 Å²	94	62.2 Å²	62.2	41%	0.409	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.7	-64.6	171.7	-164.2	165.4	0	112.3	Q517 E518 Q519 M523 V524 N525	Q517-K521 WeakPolarHBondContact O-CG 3.48Å; Q517-K521 PolarHBondContact O-N 2.98Å; E518-K521 WeakPolarHBondContact O-CB 3.37Å; E518-K521 PolarHBondContact O-N 3.45Å; E518-K521 WeakPolarHBondContact OE1-CD 3.37Å; E518-K521 IonicContact OE1-NZ 3.59Å; E518-K521 IonicContact OE2-NZ 3.53Å; E518-K521 PolarHBondContact OE2-NZ 3.26Å; Q519-K521 PolarHBondContact O-N 3.27Å; K521-M523 VanDerWaalsContact C-N 3.31Å; K521-M523 PolarHBondContact O-N 2.93Å; K521-V524 PolarHBondContact O-N 3.24Å; K521-N525 VanDerWaalsContact O-CB 3.28Å; K521-N525 WeakPolarHBondContact O-CB 3.29Å; K521-N525 PolarHBondContact O-N 3.45Å; K521-N525 PolarHBondContact O-ND2 3.48Å
522	H	94.7	Very high	95.2	Very high	88 Å²	88	62.7 Å²	62.7	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-37.2	178.4	-86.4	-74.4	0	0	0	112.3	E518 Q519 A520 S526 H527	E518-H522 PolarHBondContact O-CD2 3.06Å; E518-H522 VanDerWaalsContact O-CD2 3.27Å; E518-H522 PolarHBondContact O-N 3.2Å; Q519-H522 PolarHBondContact O-N 3.16Å; A520-H522 PolarHBondContact O-N 3.02Å; H522-S526 WeakPolarHBondContact O-CA 3.4Å; H522-S526 VanDerWaalsContact O-CB 3.24Å; H522-S526 WeakPolarHBondContact O-CB 3.36Å; H522-S526 PolarHBondContact O-N 3.43Å; H522-H527 PolarHBondContact O-N 2.85Å
523	M	94.7	Very high	95.3	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	32%	0.32	C	S	.	.	I	π-helix	trans	-67.6	-51	175.8	-67.5	-179.2	78.4	0	0	112	Q519 A520 K521 N525 K528 Y574 Q577 P578 L582 F673	Q519-M523 HydrophobicContact CG-SD 4.27Å; Q519-M523 VanDerWaalsContact O-CG 3.31Å; Q519-M523 WeakPolarHBondContact O-CG 3.29Å; Q519-M523 PolarHBondContact O-N 3.36Å; A520-M523 PolarHBondContact O-N 2.96Å; K521-M523 VanDerWaalsContact C-N 3.31Å; K521-M523 PolarHBondContact O-N 2.93Å; M523-N525 PolarHBondContact O-N 3.13Å; M523-K528 PolarHBondContact O-N 3.25Å; M523-Y574 HydrophobicContact CB-CD1 4.26Å; M523-Y574 HydrophobicContact CE-CD1 3.72Å; M523-Y574 HydrophobicContact CE-CE1 4.14Å; M523-Y574 HydrophobicContact CG-CD1 4.16Å; M523-Q577 HydrophobicContact CE-CB 3.86Å; M523-Q577 HydrophobicContact CE-CG 3.68Å; M523-P578 HydrophobicContact CB-CG 3.93Å; M523-P578 HydrophobicContact SD-CG 4.35Å; M523-L582 HydrophobicContact SD-CD1 3.95Å; M523-F673 HydrophobicContact CE-CE1 3.74Å; M523-F673 HydrophobicContact CE-CE2 4.18Å; M523-F673 HydrophobicContact CE-CZ 3.54Å
524	V	93.8	Very high	95.4	Very high	55 Å²	55	66.5 Å²	66.5	33%	0.333	32%	0.324	S	S	.	.	I	π-helix	trans	-66.5	-35.9	-179.5	179.3	0	0	0	0	112.6	A520 K521 K528 P578	A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 2.99Å; A520-V524 VanDerWaalsContact O-N 3.11Å; K521-V524 PolarHBondContact O-N 3.24Å; V524-K528 WeakPolarHBondContact O-CB 3.41Å; V524-K528 WeakPolarHBondContact O-CD 3.42Å; V524-P578 HydrophobicContact CG2-CG 4.03Å
525	N	93.7	Very high	95.4	Very high	77 Å²	77	64 Å²	64	41%	0.412	30%	0.302	S	S	.	.	I	π-helix	trans	-99.2	-57	-174.7	-66.8	-78.3	0	0	0	113.7	K521 M523 R529	K521-N525 VanDerWaalsContact O-CB 3.28Å; K521-N525 WeakPolarHBondContact O-CB 3.29Å; K521-N525 PolarHBondContact O-N 3.45Å; K521-N525 PolarHBondContact O-ND2 3.48Å; M523-N525 PolarHBondContact O-N 3.13Å; N525-R529 VanDerWaalsContact O-CB 3.29Å; N525-R529 WeakPolarHBondContact O-CB 3.38Å; N525-R529 WeakPolarHBondContact O-CD 3.42Å; N525-R529 WeakPolarHBondContact O-CG 3.47Å; N525-R529 PolarHBondContact O-N 3.04Å
526	S	94.2	Very high	95.5	Very high	47 Å²	47	61.5 Å²	61.5	33%	0.329	30%	0.299	S	S	.	.	I	π-helix	trans	-78.6	-61.6	-170.9	-165	0	0	0	0	111	H522 K528 R529 E530	H522-S526 WeakPolarHBondContact O-CA 3.4Å; H522-S526 VanDerWaalsContact O-CB 3.24Å; H522-S526 WeakPolarHBondContact O-CB 3.36Å; H522-S526 PolarHBondContact O-N 3.43Å; S526-K528 VanDerWaalsContact C-N 3.35Å; S526-K528 PolarHBondContact O-N 2.99Å; S526-R529 PolarHBondContact O-N 3.43Å; S526-R529 VanDerWaalsContact O-N 3.12Å; S526-E530 PolarHBondContact O-N 3.13Å
527	H	94.1	Very high	95.7	Very high	42 Å²	42	64.1 Å²	64.1	19%	0.194	32%	0.321	C	S	.	.	I	π-helix	trans	-63	-40.9	-174.6	-56.7	145.1	0	0	0	112	H522 E530 C531 Y574	H522-H527 PolarHBondContact O-N 2.85Å; H527-E530 PolarHBondContact O-N 2.9Å; H527-C531 WeakPolarHBondContact O-CB 3.45Å; H527-C531 PolarHBondContact O-N 3.39Å; H527-C531 PolarHBondContact O-SG 3.18Å; H527-Y574 HydrophobicContact CB-CD1 3.44Å; H527-Y574 VanDerWaalsContact CB-CD1 3.44Å; H527-Y574 HydrophobicContact CB-CD2 4.02Å; H527-Y574 HydrophobicContact CB-CE1 3.66Å; H527-Y574 HydrophobicContact CB-CE2 4.2Å; H527-Y574 HydrophobicContact CB-CG 3.65Å; H527-Y574 AromaticContact CG-CE1 3.88Å; H527-Y574 AromaticContact ND1-CD1 3.93Å; H527-Y574 AromaticContact ND1-CE1 3.75Å
528	K	95.3	Very high	95.8	Very high	41 Å²	41	62.6 Å²	62.6	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-52.7	-55.4	170.6	-168.8	-168.7	-178.4	-177.1	0	112	M523 V524 S526 E530 C531 Q532 S571 E575	M523-K528 PolarHBondContact O-N 3.25Å; V524-K528 WeakPolarHBondContact O-CB 3.41Å; V524-K528 WeakPolarHBondContact O-CD 3.42Å; S526-K528 VanDerWaalsContact C-N 3.35Å; S526-K528 PolarHBondContact O-N 2.99Å; K528-E530 PolarHBondContact O-N 2.97Å; K528-C531 PolarHBondContact O-N 3.19Å; K528-Q532 WeakPolarHBondContact O-CG 3.47Å; K528-Q532 PolarHBondContact O-N 3.25Å; K528-S571 VanDerWaalsContact CG-OG 3.32Å; K528-S571 WeakPolarHBondContact CG-OG 3.37Å; K528-E575 HydrophobicContact CD-CB 4.11Å; K528-E575 IonicContact NZ-OE1 2.63Å; K528-E575 PolarHBondContact NZ-OE1 3.46Å; K528-E575 IonicContact NZ-OE2 2.63Å; K528-E575 PolarHBondContact NZ-OE2 3.4Å
529	R	95.6	Very high	95.9	Very high	154 Å²	154	62.4 Å²	62.4	58%	0.581	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-40.3	-176.4	-73	174.9	-164.8	-146.2	6.5	112.6	N525 S526 Q532 K533	N525-R529 VanDerWaalsContact O-CB 3.29Å; N525-R529 WeakPolarHBondContact O-CB 3.38Å; N525-R529 WeakPolarHBondContact O-CD 3.42Å; N525-R529 WeakPolarHBondContact O-CG 3.47Å; N525-R529 PolarHBondContact O-N 3.04Å; S526-R529 PolarHBondContact O-N 3.43Å; S526-R529 VanDerWaalsContact O-N 3.12Å; R529-Q532 PolarHBondContact O-N 3.21Å; R529-K533 WeakPolarHBondContact O-CG 3.45Å; R529-K533 PolarHBondContact O-N 3.36Å
530	E	95.9	Very high	96.1	Very high	77 Å²	77	61.6 Å²	61.6	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-43.6	175.6	-61.2	-44.2	126	0	0	111.2	S526 H527 K528 Q532 K533 Y534	S526-E530 PolarHBondContact O-N 3.13Å; H527-E530 PolarHBondContact O-N 2.9Å; K528-E530 PolarHBondContact O-N 2.97Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 3.13Å; E530-K533 WeakPolarHBondContact O-CB 3.34Å; E530-K533 PolarHBondContact O-N 3.37Å; E530-K533 VanDerWaalsContact O-N 3.11Å; E530-K533 WeakPolarHBondContact OE1-CE 3.42Å; E530-K533 IonicContact OE1-NZ 2.79Å; E530-K533 PolarHBondContact OE1-NZ 3.23Å; E530-K533 WeakPolarHBondContact OE2-CD 3.49Å; E530-K533 WeakPolarHBondContact OE2-CE 3.38Å; E530-K533 IonicContact OE2-NZ 2.71Å; E530-K533 PolarHBondContact OE2-NZ 3.25Å; E530-Y534 VanDerWaalsContact O-CD2 3.23Å; E530-Y534 WeakPolarHBondContact O-CD2 3.49Å; E530-Y534 PolarHBondContact O-N 2.92Å
531	C	97	Very high	96.2	Very high	13 Å²	13	65 Å²	65	9%	0.088	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-41.5	173.9	-69.8	0	0	0	0	112.4	H527 K528 K533 Y534 G535 Y567	H527-C531 WeakPolarHBondContact O-CB 3.45Å; H527-C531 PolarHBondContact O-N 3.39Å; H527-C531 PolarHBondContact O-SG 3.18Å; K528-C531 PolarHBondContact O-N 3.19Å; C531-K533 VanDerWaalsContact C-N 3.33Å; C531-K533 PolarHBondContact O-N 2.91Å; C531-Y534 PolarHBondContact O-N 3.41Å; C531-G535 PolarHBondContact O-N 2.92Å; C531-Y567 HydrophobicContact CB-CD1 4.5Å
532	Q	96.9	Very high	96.2	Very high	80 Å²	80	60.6 Å²	60.6	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-34.2	174.9	-68.2	179.3	-64.2	0	0	113.1	K528 R529 E530 G535 A536 S571	K528-Q532 WeakPolarHBondContact O-CG 3.47Å; K528-Q532 PolarHBondContact O-N 3.25Å; R529-Q532 PolarHBondContact O-N 3.21Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 3.13Å; Q532-G535 PolarHBondContact O-N 3.27Å; Q532-A536 WeakPolarHBondContact O-CB 3.34Å; Q532-A536 PolarHBondContact O-N 3.22Å; Q532-S571 VanDerWaalsContact CG-OG 3.31Å; Q532-S571 WeakPolarHBondContact CG-OG 3.35Å
533	K	97.8	Very high	96.2	Very high	120 Å²	120	59.8 Å²	59.8	52%	0.522	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-42	172.7	-67.4	175.3	-161.7	166.5	0	111.8	R529 E530 C531 A537	R529-K533 WeakPolarHBondContact O-CG 3.45Å; R529-K533 PolarHBondContact O-N 3.36Å; E530-K533 WeakPolarHBondContact O-CB 3.34Å; E530-K533 PolarHBondContact O-N 3.37Å; E530-K533 VanDerWaalsContact O-N 3.11Å; E530-K533 WeakPolarHBondContact OE1-CE 3.42Å; E530-K533 IonicContact OE1-NZ 2.79Å; E530-K533 PolarHBondContact OE1-NZ 3.23Å; E530-K533 WeakPolarHBondContact OE2-CD 3.49Å; E530-K533 WeakPolarHBondContact OE2-CE 3.38Å; E530-K533 IonicContact OE2-NZ 2.71Å; E530-K533 PolarHBondContact OE2-NZ 3.25Å; C531-K533 VanDerWaalsContact C-N 3.33Å; C531-K533 PolarHBondContact O-N 2.91Å; K533-A537 VanDerWaalsContact O-CB 3.31Å; K533-A537 WeakPolarHBondContact O-CB 3.33Å; K533-A537 PolarHBondContact O-N 3.33Å
534	Y	97.2	Very high	96.2	Very high	80 Å²	80	63.2 Å²	63.2	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-46.5	173.4	-78.8	-74.1	0	0	0	110.9	L258 E530 C531 A536 A537 F538 Y567	L258-Y534 HydrophobicContact CD1-CE1 4.43Å; L258-Y534 HydrophobicContact CD1-CE2 4.46Å; L258-Y534 HydrophobicContact CD2-CE2 3.92Å; E530-Y534 VanDerWaalsContact O-CD2 3.23Å; E530-Y534 WeakPolarHBondContact O-CD2 3.49Å; E530-Y534 PolarHBondContact O-N 2.92Å; C531-Y534 PolarHBondContact O-N 3.41Å; Y534-A536 PolarHBondContact O-N 2.75Å; Y534-A537 PolarHBondContact O-N 2.89Å; Y534-F538 HydrophobicContact CD1-CE2 4.16Å; Y534-F538 WeakPolarHBondContact O-CD2 3.35Å; Y534-F538 PolarHBondContact O-N 3.48Å; Y534-Y567 VanDerWaalsContact CB-CD1 3.44Å; Y534-Y567 HydrophobicContact CD2-CD1 4.43Å; Y534-Y567 HydrophobicContact CD2-CE1 4.2Å; Y534-Y567 HydrophobicContact CG-CD1 4.1Å; Y534-Y567 AromaticContact CG-CE1 3.93Å; Y534-Y567 HydrophobicContact CG-CE1 3.93Å
535	G	97.6	Very high	96.3	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-52.3	-56.5	174.2	0	0	0	0	0	112.4	C531 Q532 A537 F538 H539 A564	C531-G535 PolarHBondContact O-N 2.92Å; Q532-G535 PolarHBondContact O-N 3.27Å; G535-A537 VanDerWaalsContact C-N 3.32Å; G535-A537 PolarHBondContact O-N 3.32Å; G535-F538 PolarHBondContact O-N 2.91Å; G535-H539 WeakPolarHBondContact O-CB 3.31Å; G535-H539 PolarHBondContact O-N 3.48Å; G535-A564 WeakPolarHBondContact O-CB 3.08Å
536	A	97.9	Very high	96.2	Very high	61 Å²	61	63.7 Å²	63.7	50%	0.504	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-39.1	178.2	0	0	0	0	0	113.4	Q532 Y534 A540	Q532-A536 WeakPolarHBondContact O-CB 3.34Å; Q532-A536 PolarHBondContact O-N 3.22Å; Y534-A536 PolarHBondContact O-N 2.75Å; A536-A540 WeakPolarHBondContact O-CB 3.38Å; A536-A540 PolarHBondContact O-N 2.86Å
537	A	98.3	Very high	96	Very high	60 Å²	60	68.2 Å²	68.2	50%	0.496	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-44.2	178.4	0	0	0	0	0	112.6	K533 Y534 G535 A540 L541	K533-A537 VanDerWaalsContact O-CB 3.31Å; K533-A537 WeakPolarHBondContact O-CB 3.33Å; K533-A537 PolarHBondContact O-N 3.33Å; Y534-A537 PolarHBondContact O-N 2.89Å; G535-A537 VanDerWaalsContact C-N 3.32Å; G535-A537 PolarHBondContact O-N 3.32Å; A537-A540 PolarHBondContact O-N 3.13Å; A537-L541 WeakPolarHBondContact O-CB 3.28Å; A537-L541 PolarHBondContact O-N 2.95Å
538	F	98.1	Very high	95.7	Very high	58 Å²	58	71.1 Å²	71.1	25%	0.254	37%	0.369	S	S	.	.	H	α-helix	trans	-64.8	-39.4	175	-76.9	-63.8	0	0	0	111.8	Y534 G535 L541 G542 L560 T563 A564 Y567	Y534-F538 HydrophobicContact CD1-CE2 4.16Å; Y534-F538 WeakPolarHBondContact O-CD2 3.35Å; Y534-F538 PolarHBondContact O-N 3.48Å; G535-F538 PolarHBondContact O-N 2.91Å; F538-L541 PolarHBondContact O-N 2.99Å; F538-G542 PolarHBondContact O-N 3.07Å; F538-L560 HydrophobicContact CD1-CD2 3.92Å; F538-L560 HydrophobicContact CE1-CD2 4.48Å; F538-T563 HydrophobicContact CB-CG2 4.48Å; F538-T563 HydrophobicContact CD1-CG2 3.88Å; F538-T563 HydrophobicContact CD2-CG2 3.72Å; F538-T563 HydrophobicContact CE1-CG2 3.97Å; F538-T563 HydrophobicContact CE2-CG2 3.83Å; F538-T563 HydrophobicContact CG-CG2 3.77Å; F538-T563 HydrophobicContact CZ-CG2 3.95Å; F538-A564 HydrophobicContact CB-CB 3.94Å; F538-Y567 AromaticContact CD2-CD2 3.76Å; F538-Y567 HydrophobicContact CD2-CD2 3.76Å; F538-Y567 AromaticContact CD2-CE2 3.97Å; F538-Y567 HydrophobicContact CD2-CE2 3.97Å; F538-Y567 AromaticContact CE2-CD2 3.7Å; F538-Y567 HydrophobicContact CE2-CD2 3.7Å; F538-Y567 AromaticContact CE2-CE2 3.4Å; F538-Y567 HydrophobicContact CE2-CE2 3.4Å; F538-Y567 HydrophobicContact CZ-CE2 4.27Å
539	H	97.6	Very high	94.9	Very high	81 Å²	81	76.4 Å²	76.4	38%	0.375	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-44.8	176.7	-173.7	-98.7	0	0	0	111.8	G535 L541 G542 L543 A564	G535-H539 WeakPolarHBondContact O-CB 3.31Å; G535-H539 PolarHBondContact O-N 3.48Å; H539-L541 PolarHBondContact O-N 3.32Å; H539-G542 PolarHBondContact O-N 2.71Å; H539-L543 WeakPolarHBondContact O-CG 3.28Å; H539-L543 PolarHBondContact O-N 2.89Å; H539-A564 HydrophobicContact CB-CB 3.77Å
540	A	97.6	Very high	94.6	Very high	53 Å²	53	72 Å²	72	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.4	0	0	0	0	0	112.2	A536 A537 L543 S544	A536-A540 WeakPolarHBondContact O-CB 3.38Å; A536-A540 PolarHBondContact O-N 2.86Å; A537-A540 PolarHBondContact O-N 3.13Å; A540-L543 PolarHBondContact O-N 3.11Å; A540-S544 PolarHBondContact O-N 3.4Å; A540-S544 PolarHBondContact O-OG 3.09Å
541	L	96.5	Very high	94.3	Very high	84 Å²	84	73.6 Å²	73.6	44%	0.44	39%	0.393	S	S	.	.	H	α-helix	trans	-66	-41	175.6	-172.9	60.9	0	0	0	111.9	A537 F538 H539 S544 F545 L560	A537-L541 WeakPolarHBondContact O-CB 3.28Å; A537-L541 PolarHBondContact O-N 2.95Å; F538-L541 PolarHBondContact O-N 2.99Å; H539-L541 PolarHBondContact O-N 3.32Å; L541-S544 WeakPolarHBondContact O-CB 3.39Å; L541-S544 PolarHBondContact O-N 2.66Å; L541-F545 HydrophobicContact CD1-CD2 4.47Å; L541-F545 HydrophobicContact CD1-CE2 3.97Å; L541-F545 HydrophobicContact CG-CD2 4.38Å; L541-F545 HydrophobicContact CG-CE2 4.04Å; L541-F545 VanDerWaalsContact O-CD2 3.3Å; L541-F545 WeakPolarHBondContact O-CD2 3.44Å; L541-F545 PolarHBondContact O-N 2.72Å; L541-L560 HydrophobicContact CD2-CD1 4.24Å; L541-L560 HydrophobicContact CD2-CD2 4Å; L541-L560 HydrophobicContact CG-CD1 3.95Å; L541-L560 HydrophobicContact CG-CD2 4.48Å
542	G	95.7	Very high	94	Very high	0 Å²	0	81 Å²	81	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-59.7	-46.5	174.2	0	0	0	0	0	112.5	F538 H539 S544 F545 E546 A557	F538-G542 PolarHBondContact O-N 3.07Å; H539-G542 PolarHBondContact O-N 2.71Å; G542-S544 VanDerWaalsContact C-N 3.32Å; G542-S544 PolarHBondContact O-N 3.49Å; G542-F545 PolarHBondContact O-N 2.75Å; G542-E546 PolarHBondContact O-N 3.16Å; G542-A557 WeakPolarHBondContact O-CB 3.43Å
543	L	95.3	Very high	93.7	Very high	72 Å²	72	78.4 Å²	78.4	38%	0.377	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-40.3	172.9	-72.1	176.1	0	0	0	112.2	H539 A540 F545 E546 L547	H539-L543 WeakPolarHBondContact O-CG 3.28Å; H539-L543 PolarHBondContact O-N 2.89Å; A540-L543 PolarHBondContact O-N 3.11Å; L543-F545 VanDerWaalsContact C-N 3.25Å; L543-F545 PolarHBondContact O-N 3.28Å; L543-E546 PolarHBondContact O-N 2.8Å; L543-L547 PolarHBondContact O-N 3.47Å
544	S	95	Very high	93.4	Very high	73 Å²	73	78.5 Å²	78.5	51%	0.51	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-34.2	178.4	-61	0	0	0	0	113.1	A540 L541 G542	A540-S544 PolarHBondContact O-N 3.4Å; A540-S544 PolarHBondContact O-OG 3.09Å; L541-S544 WeakPolarHBondContact O-CB 3.39Å; L541-S544 PolarHBondContact O-N 2.66Å; G542-S544 VanDerWaalsContact C-N 3.32Å; G542-S544 PolarHBondContact O-N 3.49Å
545	F	94.2	Very high	93.3	Very high	71 Å²	71	78.8 Å²	78.8	31%	0.311	43%	0.426	S	S	.	.	H	α-helix	trans	-76	-20.3	175.3	-78.9	-70	0	0	0	114.1	L541 G542 L543 C553 L556 A557 L560	L541-F545 HydrophobicContact CD1-CD2 4.47Å; L541-F545 HydrophobicContact CD1-CE2 3.97Å; L541-F545 HydrophobicContact CG-CD2 4.38Å; L541-F545 HydrophobicContact CG-CE2 4.04Å; L541-F545 VanDerWaalsContact O-CD2 3.3Å; L541-F545 WeakPolarHBondContact O-CD2 3.44Å; L541-F545 PolarHBondContact O-N 2.72Å; G542-F545 PolarHBondContact O-N 2.75Å; L543-F545 VanDerWaalsContact C-N 3.25Å; L543-F545 PolarHBondContact O-N 3.28Å; F545-C553 HydrophobicContact CB-CB 4.32Å; F545-C553 HydrophobicContact CD1-CB 4.26Å; F545-L556 HydrophobicContact CD1-CD2 4.23Å; F545-L556 HydrophobicContact CD2-CD2 4.18Å; F545-L556 HydrophobicContact CD2-CG 4.33Å; F545-L556 HydrophobicContact CE1-CD2 3.86Å; F545-L556 HydrophobicContact CE2-CD2 3.81Å; F545-L556 HydrophobicContact CE2-CG 4.3Å; F545-L556 HydrophobicContact CG-CD2 4.38Å; F545-L556 HydrophobicContact CZ-CD2 3.63Å; F545-A557 HydrophobicContact CB-CB 3.93Å; F545-L560 HydrophobicContact CD2-CD1 3.53Å; F545-L560 HydrophobicContact CE2-CD1 3.76Å
546	E	91.5	Very high	93.1	Very high	70 Å²	70	82.1 Å²	82.1	33%	0.327	44%	0.443	S	S	.	.	H	α-helix	trans	-78.6	-26.1	174.8	-66.1	-178.1	150.9	0	0	113	G542 L543 D548 Q549 A557 K561	G542-E546 PolarHBondContact O-N 3.16Å; L543-E546 PolarHBondContact O-N 2.8Å; E546-D548 PolarHBondContact O-N 3.47Å; E546-Q549 PolarHBondContact O-N 2.98Å; E546-A557 HydrophobicContact CG-CB 3.74Å; E546-K561 WeakPolarHBondContact OE1-CE 3.4Å; E546-K561 IonicContact OE1-NZ 2.66Å; E546-K561 PolarHBondContact OE1-NZ 3.39Å; E546-K561 WeakPolarHBondContact OE2-CE 3.12Å; E546-K561 IonicContact OE2-NZ 2.65Å; E546-K561 PolarHBondContact OE2-NZ 2.81Å
547	L	91.7	Very high	93	Very high	142 Å²	142	79.2 Å²	79.2	74%	0.743	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.5	-179.6	-66.9	175.8	0	0	0	113.3	L543 Q549	L543-L547 PolarHBondContact O-N 3.47Å; L547-Q549 PolarHBondContact O-N 3.26Å
548	D	86.2	Confident	92.9	Very high	104 Å²	104	80.4 Å²	80.4	56%	0.556	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.3	174.7	-162.5	51	0	0	0	112.4	E546 N550	E546-D548 PolarHBondContact O-N 3.47Å; D548-N550 HydrophobicContact CB-CB 4.27Å; D548-N550 PolarHBondContact O-N 3.49Å; D548-N550 WeakPolarHBondContact OD2-CB 3.4Å; D548-N550 PolarHBondContact OD2-ND2 2.92Å; D548-N550 VanDerWaalsContact OD2-ND2 3.09Å
549	Q	80	Confident	92.8	Very high	151 Å²	151	77.7 Å²	77.7	71%	0.706	41%	0.406	S	S	*	.			trans	58.8	-14.9	-175.4	-55.8	-172.8	14.3	0	0	116.5	E546 L547 D551 R554	E546-Q549 PolarHBondContact O-N 2.98Å; L547-Q549 PolarHBondContact O-N 3.26Å; Q549-D551 PolarHBondContact O-N 3.22Å; Q549-R554 PolarHBondContact O-NH2 3.27Å
550	N	89.6	Confident	92.8	Very high	63 Å²	63	74.4 Å²	74.4	34%	0.337	39%	0.391	S	S	.	.			trans	-51.4	122.4	175.6	-179.1	-3.6	0	0	0	113.1	D548 Q552 C553	D548-N550 HydrophobicContact CB-CB 4.27Å; D548-N550 PolarHBondContact O-N 3.49Å; D548-N550 WeakPolarHBondContact OD2-CB 3.4Å; D548-N550 PolarHBondContact OD2-ND2 2.92Å; D548-N550 VanDerWaalsContact OD2-ND2 3.09Å; N550-Q552 PolarHBondContact O-N 3.07Å; N550-Q552 VanDerWaalsContact O-N 3.16Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.45Å; N550-Q552 PolarHBondContact OD1-N 3.45Å; N550-C553 PolarHBondContact O-N 3.42Å; N550-C553 VanDerWaalsContact O-N 3.07Å
551	D	89.7	Confident	92.8	Very high	109 Å²	109	74.1 Å²	74.1	58%	0.583	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-58.6	-28.1	-179.7	-71.1	-64.4	0	0	0	113.2	Q549 C553 R554 P555	Q549-D551 PolarHBondContact O-N 3.22Å; D551-C553 VanDerWaalsContact C-N 3.27Å; D551-C553 PolarHBondContact O-N 2.88Å; D551-R554 PolarHBondContact O-N 2.93Å; D551-R554 IonicContact OD1-CZ 2.92Å; D551-R554 IonicContact OD1-NE 3.58Å; D551-R554 IonicContact OD1-NH1 2.64Å; D551-R554 PolarHBondContact OD1-NH1 3.35Å; D551-R554 IonicContact OD1-NH2 3.23Å; D551-R554 PolarHBondContact OD1-NH2 3.35Å; D551-P555 WeakPolarHBondContact O-CD 3.42Å
552	Q	89.9	Confident	92.8	Very high	169 Å²	169	73.1 Å²	73.1	79%	0.79	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-67.2	-27	178.1	-60.7	-173.5	2.2	0	0	113	N550	N550-Q552 PolarHBondContact O-N 3.07Å; N550-Q552 VanDerWaalsContact O-N 3.16Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.45Å; N550-Q552 PolarHBondContact OD1-N 3.45Å
553	C	91.2	Very high	92.9	Very high	25 Å²	25	73.8 Å²	73.8	17%	0.169	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-84.9	-17.6	180	-65.5	0	0	0	0	113.1	F545 N550 D551 L556 A557	F545-C553 HydrophobicContact CB-CB 4.32Å; F545-C553 HydrophobicContact CD1-CB 4.26Å; N550-C553 PolarHBondContact O-N 3.42Å; N550-C553 VanDerWaalsContact O-N 3.07Å; D551-C553 VanDerWaalsContact C-N 3.27Å; D551-C553 PolarHBondContact O-N 2.88Å; C553-L556 PolarHBondContact O-N 2.86Å; C553-A557 WeakPolarHBondContact O-CB 3.46Å; C553-A557 PolarHBondContact O-N 3.46Å
554	R	91.6	Very high	93	Very high	122 Å²	122	70.4 Å²	70.4	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-40.7	-174.8	-65.4	-173.1	-174.2	154.1	17.1	114.9	Q549 D551 L556 A557 N558	Q549-R554 PolarHBondContact O-NH2 3.27Å; D551-R554 PolarHBondContact O-N 2.93Å; D551-R554 IonicContact OD1-CZ 2.92Å; D551-R554 IonicContact OD1-NE 3.58Å; D551-R554 IonicContact OD1-NH1 2.64Å; D551-R554 PolarHBondContact OD1-NH1 3.35Å; D551-R554 IonicContact OD1-NH2 3.23Å; D551-R554 PolarHBondContact OD1-NH2 3.35Å; R554-L556 VanDerWaalsContact C-N 3.35Å; R554-L556 PolarHBondContact O-N 3.34Å; R554-A557 PolarHBondContact O-N 3.22Å; R554-N558 WeakPolarHBondContact O-CB 3.43Å; R554-N558 VanDerWaalsContact O-CG 3.28Å; R554-N558 PolarHBondContact O-N 3.16Å; R554-N558 PolarHBondContact O-ND2 2.99Å
555	P	93.7	Very high	93.1	Very high	87 Å²	87	70.5 Å²	70.5	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-44.5	175.5	-24.1	35	0	0	0	112.1	D551 N558 A559	D551-P555 WeakPolarHBondContact O-CD 3.42Å; P555-N558 PolarHBondContact O-N 3.32Å; P555-A559 WeakPolarHBondContact O-CB 3.22Å; P555-A559 PolarHBondContact O-N 3.44Å
556	L	94.8	Very high	93.3	Very high	69 Å²	69	67.4 Å²	67.4	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-44.1	177.2	177.9	59.7	0	0	0	111.9	F545 C553 R554 N558 A559 L560 F688	F545-L556 HydrophobicContact CD1-CD2 4.23Å; F545-L556 HydrophobicContact CD2-CD2 4.18Å; F545-L556 HydrophobicContact CD2-CG 4.33Å; F545-L556 HydrophobicContact CE1-CD2 3.86Å; F545-L556 HydrophobicContact CE2-CD2 3.81Å; F545-L556 HydrophobicContact CE2-CG 4.3Å; F545-L556 HydrophobicContact CG-CD2 4.38Å; F545-L556 HydrophobicContact CZ-CD2 3.63Å; C553-L556 PolarHBondContact O-N 2.86Å; R554-L556 VanDerWaalsContact C-N 3.35Å; R554-L556 PolarHBondContact O-N 3.34Å; L556-N558 VanDerWaalsContact C-N 3.31Å; L556-N558 PolarHBondContact O-N 3.12Å; L556-A559 PolarHBondContact O-N 3.01Å; L556-L560 HydrophobicContact CD1-CD1 4.02Å; L556-L560 HydrophobicContact CD1-CG 4.12Å; L556-L560 HydrophobicContact CG-CD1 3.92Å; L556-L560 HydrophobicContact CG-CG 4.48Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CD1 3.15Å; L556-L560 VanDerWaalsContact O-CG 3.23Å; L556-L560 WeakPolarHBondContact O-CG 3.5Å; L556-L560 PolarHBondContact O-N 2.9Å; L556-F688 HydrophobicContact CD1-CD1 4.45Å; L556-F688 HydrophobicContact CD1-CE1 4.03Å
557	A	95.3	Very high	93.6	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-43.3	175.4	0	0	0	0	0	112.2	G542 F545 E546 C553 R554 L560 K561	G542-A557 WeakPolarHBondContact O-CB 3.43Å; F545-A557 HydrophobicContact CB-CB 3.93Å; E546-A557 HydrophobicContact CG-CB 3.74Å; C553-A557 WeakPolarHBondContact O-CB 3.46Å; C553-A557 PolarHBondContact O-N 3.46Å; R554-A557 PolarHBondContact O-N 3.22Å; A557-L560 PolarHBondContact O-N 3.2Å; A557-K561 WeakPolarHBondContact O-CG 3.33Å; A557-K561 PolarHBondContact O-N 3.23Å
558	N	95	Very high	93.9	Very high	85 Å²	85	62.8 Å²	62.8	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-46.8	175.9	-72.4	-26	0	0	0	111.9	R554 P555 L556 L560 K561 L562	R554-N558 WeakPolarHBondContact O-CB 3.43Å; R554-N558 VanDerWaalsContact O-CG 3.28Å; R554-N558 PolarHBondContact O-N 3.16Å; R554-N558 PolarHBondContact O-ND2 2.99Å; P555-N558 PolarHBondContact O-N 3.32Å; L556-N558 VanDerWaalsContact C-N 3.31Å; L556-N558 PolarHBondContact O-N 3.12Å; N558-L560 VanDerWaalsContact C-N 3.31Å; N558-L560 PolarHBondContact O-N 3.43Å; N558-K561 PolarHBondContact O-N 3.1Å; N558-L562 WeakPolarHBondContact O-CB 3.34Å; N558-L562 VanDerWaalsContact O-CG 3.29Å; N558-L562 WeakPolarHBondContact O-CG 3.31Å; N558-L562 PolarHBondContact O-N 3.03Å
559	A	97.4	Very high	94.4	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-39	177.8	0	0	0	0	0	112.4	P555 L556 L562 T563 H687 F688	P555-A559 WeakPolarHBondContact O-CB 3.22Å; P555-A559 PolarHBondContact O-N 3.44Å; L556-A559 PolarHBondContact O-N 3.01Å; A559-L562 PolarHBondContact O-N 3.19Å; A559-T563 WeakPolarHBondContact O-CB 3.29Å; A559-T563 PolarHBondContact O-N 2.9Å; A559-T563 PolarHBondContact O-OG1 2.82Å; A559-H687 HydrophobicContact CB-CB 4.03Å; A559-H687 VanDerWaalsContact CB-O 3.29Å; A559-H687 WeakPolarHBondContact CB-O 3.27Å; A559-F688 HydrophobicContact CB-CD1 3.91Å; A559-F688 HydrophobicContact CB-CD2 4.23Å; A559-F688 HydrophobicContact CB-CE1 3.63Å; A559-F688 HydrophobicContact CB-CE2 3.97Å; A559-F688 HydrophobicContact CB-CG 4.21Å; A559-F688 HydrophobicContact CB-CZ 3.67Å
560	L	97.6	Very high	95.3	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-42.8	174	-71.6	166.6	0	0	0	112.3	F538 L541 F545 L556 A557 N558 T563 A564	F538-L560 HydrophobicContact CD1-CD2 3.92Å; F538-L560 HydrophobicContact CE1-CD2 4.48Å; L541-L560 HydrophobicContact CD2-CD1 4.24Å; L541-L560 HydrophobicContact CD2-CD2 4Å; L541-L560 HydrophobicContact CG-CD1 3.95Å; L541-L560 HydrophobicContact CG-CD2 4.48Å; F545-L560 HydrophobicContact CD2-CD1 3.53Å; F545-L560 HydrophobicContact CE2-CD1 3.76Å; L556-L560 HydrophobicContact CD1-CD1 4.02Å; L556-L560 HydrophobicContact CD1-CG 4.12Å; L556-L560 HydrophobicContact CG-CD1 3.92Å; L556-L560 HydrophobicContact CG-CG 4.48Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CD1 3.15Å; L556-L560 VanDerWaalsContact O-CG 3.23Å; L556-L560 WeakPolarHBondContact O-CG 3.5Å; L556-L560 PolarHBondContact O-N 2.9Å; A557-L560 PolarHBondContact O-N 3.2Å; N558-L560 VanDerWaalsContact C-N 3.31Å; N558-L560 PolarHBondContact O-N 3.43Å; L560-T563 WeakPolarHBondContact O-CB 3.3Å; L560-T563 PolarHBondContact O-N 3.42Å; L560-A564 PolarHBondContact O-N 3.08Å
561	K	96.2	Very high	95.6	Very high	48 Å²	48	52.6 Å²	52.6	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-42.1	173.9	-75.4	179.2	172.8	-179.5	0	112.5	E546 A557 N558 T563 A564 D565	E546-K561 WeakPolarHBondContact OE1-CE 3.4Å; E546-K561 IonicContact OE1-NZ 2.66Å; E546-K561 PolarHBondContact OE1-NZ 3.39Å; E546-K561 WeakPolarHBondContact OE2-CE 3.12Å; E546-K561 IonicContact OE2-NZ 2.65Å; E546-K561 PolarHBondContact OE2-NZ 2.81Å; A557-K561 WeakPolarHBondContact O-CG 3.33Å; A557-K561 PolarHBondContact O-N 3.23Å; N558-K561 PolarHBondContact O-N 3.1Å; K561-T563 VanDerWaalsContact C-N 3.25Å; K561-T563 PolarHBondContact O-N 2.68Å; K561-A564 WeakPolarHBondContact O-CA 3.37Å; K561-A564 VanDerWaalsContact O-CB 3.29Å; K561-A564 WeakPolarHBondContact O-CB 3.38Å; K561-A564 PolarHBondContact O-N 2.87Å; K561-D565 PolarHBondContact O-N 3.18Å
562	L	96.9	Very high	95.9	Very high	63 Å²	63	52.5 Å²	52.5	33%	0.33	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-29.1	175.6	-67.9	164.5	0	0	0	112	N558 A559 C566 H687	N558-L562 WeakPolarHBondContact O-CB 3.34Å; N558-L562 VanDerWaalsContact O-CG 3.29Å; N558-L562 WeakPolarHBondContact O-CG 3.31Å; N558-L562 PolarHBondContact O-N 3.03Å; A559-L562 PolarHBondContact O-N 3.19Å; L562-C566 WeakPolarHBondContact O-CB 3.3Å; L562-C566 PolarHBondContact O-N 3.46Å; L562-H687 HydrophobicContact CD1-CB 4.38Å
563	T	98.1	Very high	96.2	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-39	169	-55.9	0	0	0	0	111.6	F538 A559 L560 K561 C566 Y567 F688	F538-T563 HydrophobicContact CB-CG2 4.48Å; F538-T563 HydrophobicContact CD1-CG2 3.88Å; F538-T563 HydrophobicContact CD2-CG2 3.72Å; F538-T563 HydrophobicContact CE1-CG2 3.97Å; F538-T563 HydrophobicContact CE2-CG2 3.83Å; F538-T563 HydrophobicContact CG-CG2 3.77Å; F538-T563 HydrophobicContact CZ-CG2 3.95Å; A559-T563 WeakPolarHBondContact O-CB 3.29Å; A559-T563 PolarHBondContact O-N 2.9Å; A559-T563 PolarHBondContact O-OG1 2.82Å; L560-T563 WeakPolarHBondContact O-CB 3.3Å; L560-T563 PolarHBondContact O-N 3.42Å; K561-T563 VanDerWaalsContact C-N 3.25Å; K561-T563 PolarHBondContact O-N 2.68Å; T563-C566 WeakPolarHBondContact O-CB 3.06Å; T563-C566 PolarHBondContact O-N 3.05Å; T563-Y567 HydrophobicContact CG2-CD2 4.08Å; T563-Y567 HydrophobicContact CG2-CE2 4.07Å; T563-Y567 WeakPolarHBondContact O-CD2 3.32Å; T563-Y567 PolarHBondContact O-N 3.31Å; T563-F688 WeakPolarHBondContact OG1-CE2 3.33Å; T563-F688 WeakPolarHBondContact OG1-CZ 3.35Å
564	A	98.1	Very high	96.5	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-51.3	173.5	0	0	0	0	0	111.8	G535 F538 H539 L560 K561 C566 Y567 D568	G535-A564 WeakPolarHBondContact O-CB 3.08Å; F538-A564 HydrophobicContact CB-CB 3.94Å; H539-A564 HydrophobicContact CB-CB 3.77Å; L560-A564 PolarHBondContact O-N 3.08Å; K561-A564 WeakPolarHBondContact O-CA 3.37Å; K561-A564 VanDerWaalsContact O-CB 3.29Å; K561-A564 WeakPolarHBondContact O-CB 3.38Å; K561-A564 PolarHBondContact O-N 2.87Å; A564-C566 PolarHBondContact O-N 3.08Å; A564-Y567 PolarHBondContact O-N 3.46Å; A564-D568 PolarHBondContact O-N 3.32Å
565	D	97.5	Very high	96.6	Very high	75 Å²	75	43.7 Å²	43.7	40%	0.401	22%	0.221	S	C	.	.	H	α-helix	trans	-54.7	-34.8	174.1	-75.9	1.1	0	0	0	112.3	K561 K569	K561-D565 PolarHBondContact O-N 3.18Å; D565-K569 WeakPolarHBondContact O-CB 3.32Å; D565-K569 WeakPolarHBondContact O-CD 3.46Å; D565-K569 WeakPolarHBondContact O-CE 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.21Å; D565-K569 PolarHBondContact O-N 2.9Å
566	C	98.1	Very high	96.6	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-46.6	176	179.2	0	0	0	0	111.9	L562 T563 A564 D568 K569 I570 K680 A684	L562-C566 WeakPolarHBondContact O-CB 3.3Å; L562-C566 PolarHBondContact O-N 3.46Å; T563-C566 WeakPolarHBondContact O-CB 3.06Å; T563-C566 PolarHBondContact O-N 3.05Å; A564-C566 PolarHBondContact O-N 3.08Å; C566-D568 VanDerWaalsContact C-N 3.34Å; C566-D568 PolarHBondContact O-N 3.41Å; C566-K569 WeakPolarHBondContact O-CB 3.5Å; C566-K569 PolarHBondContact O-N 3.05Å; C566-I570 VanDerWaalsContact O-CG1 3.31Å; C566-I570 WeakPolarHBondContact O-CG1 3.41Å; C566-I570 PolarHBondContact O-N 3.46Å; C566-K680 PolarHBondContact SG-O 2.97Å; C566-A684 HydrophobicContact CB-CB 3.77Å
567	Y	98.2	Very high	96.5	Very high	43 Å²	43	38.3 Å²	38.3	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-34	176.7	-87.3	-82.6	0	0	0	113.1	C531 Y534 F538 T563 A564 I570 S571	C531-Y567 HydrophobicContact CB-CD1 4.5Å; Y534-Y567 VanDerWaalsContact CB-CD1 3.44Å; Y534-Y567 HydrophobicContact CD2-CD1 4.43Å; Y534-Y567 HydrophobicContact CD2-CE1 4.2Å; Y534-Y567 HydrophobicContact CG-CD1 4.1Å; Y534-Y567 AromaticContact CG-CE1 3.93Å; Y534-Y567 HydrophobicContact CG-CE1 3.93Å; F538-Y567 AromaticContact CD2-CD2 3.76Å; F538-Y567 HydrophobicContact CD2-CD2 3.76Å; F538-Y567 AromaticContact CD2-CE2 3.97Å; F538-Y567 HydrophobicContact CD2-CE2 3.97Å; F538-Y567 AromaticContact CE2-CD2 3.7Å; F538-Y567 HydrophobicContact CE2-CD2 3.7Å; F538-Y567 AromaticContact CE2-CE2 3.4Å; F538-Y567 HydrophobicContact CE2-CE2 3.4Å; F538-Y567 HydrophobicContact CZ-CE2 4.27Å; T563-Y567 HydrophobicContact CG2-CD2 4.08Å; T563-Y567 HydrophobicContact CG2-CE2 4.07Å; T563-Y567 WeakPolarHBondContact O-CD2 3.32Å; T563-Y567 PolarHBondContact O-N 3.31Å; A564-Y567 PolarHBondContact O-N 3.46Å; Y567-I570 PolarHBondContact O-N 3.36Å; Y567-S571 WeakPolarHBondContact O-CB 3.36Å; Y567-S571 PolarHBondContact O-N 3.2Å
568	D	96.6	Very high	96.4	Very high	72 Å²	72	38.3 Å²	38.3	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-69.5	-36.8	172.7	-80.4	-32.5	0	0	0	112.6	A564 C566 S571 H572	A564-D568 PolarHBondContact O-N 3.32Å; C566-D568 VanDerWaalsContact C-N 3.34Å; C566-D568 PolarHBondContact O-N 3.41Å; D568-S571 WeakPolarHBondContact O-CB 3.5Å; D568-S571 PolarHBondContact O-N 3.19Å; D568-H572 PolarHBondContact O-N 3.21Å; D568-H572 VanDerWaalsContact O-N 3.11Å
569	K	97.4	Very high	96.2	Very high	96 Å²	96	39.5 Å²	39.5	42%	0.417	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-43.8	169.8	-69.5	156.2	-161	161.9	0	111.2	D565 C566 H572 M573 K680	D565-K569 WeakPolarHBondContact O-CB 3.32Å; D565-K569 WeakPolarHBondContact O-CD 3.46Å; D565-K569 WeakPolarHBondContact O-CE 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.21Å; D565-K569 PolarHBondContact O-N 2.9Å; C566-K569 WeakPolarHBondContact O-CB 3.5Å; C566-K569 PolarHBondContact O-N 3.05Å; K569-H572 PolarHBondContact O-N 3.37Å; K569-M573 WeakPolarHBondContact O-CG 3.4Å; K569-M573 PolarHBondContact O-N 3.11Å; K569-K680 HydrophobicContact CB-CD 4.25Å; K569-K680 HydrophobicContact CD-CD 4.15Å
570	I	97.9	Very high	95.6	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-39	177.7	-67.7	163.7	0	0	0	111.4	C566 Y567 H572 M573 Y574 I677 K680 L681	C566-I570 VanDerWaalsContact O-CG1 3.31Å; C566-I570 WeakPolarHBondContact O-CG1 3.41Å; C566-I570 PolarHBondContact O-N 3.46Å; Y567-I570 PolarHBondContact O-N 3.36Å; I570-H572 PolarHBondContact O-N 2.99Å; I570-M573 WeakPolarHBondContact O-CB 3.43Å; I570-M573 PolarHBondContact O-N 3.21Å; I570-M573 VanDerWaalsContact O-N 3.13Å; I570-Y574 HydrophobicContact CG2-CD2 3.94Å; I570-Y574 HydrophobicContact CG2-CE2 3.76Å; I570-Y574 WeakPolarHBondContact O-CD2 3.46Å; I570-Y574 PolarHBondContact O-N 3.21Å; I570-I677 HydrophobicContact CD1-CG2 4.15Å; I570-I677 HydrophobicContact CG1-CG2 4.33Å; I570-I677 HydrophobicContact CG2-CD1 4.29Å; I570-I677 HydrophobicContact CG2-CG1 4.29Å; I570-I677 HydrophobicContact CG2-CG2 4.34Å; I570-K680 HydrophobicContact CD1-CB 4.4Å; I570-K680 HydrophobicContact CG1-CB 4.25Å; I570-L681 HydrophobicContact CD1-CD2 3.85Å; I570-L681 HydrophobicContact CD1-CG 4.02Å
571	S	96.9	Very high	95.1	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-53.5	-49.5	170.7	153.1	0	0	0	0	111.6	K528 Q532 Y567 D568 M573 Y574 E575	K528-S571 VanDerWaalsContact CG-OG 3.32Å; K528-S571 WeakPolarHBondContact CG-OG 3.37Å; Q532-S571 VanDerWaalsContact CG-OG 3.31Å; Q532-S571 WeakPolarHBondContact CG-OG 3.35Å; Y567-S571 WeakPolarHBondContact O-CB 3.36Å; Y567-S571 PolarHBondContact O-N 3.2Å; D568-S571 WeakPolarHBondContact O-CB 3.5Å; D568-S571 PolarHBondContact O-N 3.19Å; S571-M573 VanDerWaalsContact C-N 3.3Å; S571-M573 PolarHBondContact O-N 3.34Å; S571-Y574 PolarHBondContact O-N 2.83Å; S571-E575 PolarHBondContact O-N 2.94Å
572	H	96.4	Very high	95	Very high	106 Å²	106	46.4 Å²	46.4	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-25.7	178	-171	59.1	0	0	0	113.4	D568 K569 I570 E575 T576	D568-H572 PolarHBondContact O-N 3.21Å; D568-H572 VanDerWaalsContact O-N 3.11Å; K569-H572 PolarHBondContact O-N 3.37Å; I570-H572 PolarHBondContact O-N 2.99Å; H572-E575 IonicContact CE1-OE2 3.14Å; H572-E575 IonicContact ND1-OE2 2.71Å; H572-E575 PolarHBondContact ND1-OE2 2.94Å; H572-T576 VanDerWaalsContact CE1-CG2 3.41Å; H572-T576 WeakPolarHBondContact CE1-CG2 3.27Å; H572-T576 WeakPolarHBondContact O-CG2 3.44Å; H572-T576 PolarHBondContact O-N 3.24Å; H572-T576 PolarHBondContact O-OG1 3.05Å
573	M	96.3	Very high	94.8	Very high	41 Å²	41	46.2 Å²	46.2	20%	0.202	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-45.6	168.3	-68.6	178.5	62.6	0	0	111.6	K569 I570 S571 E575 T576 Q577 F673 I677 K680	K569-M573 WeakPolarHBondContact O-CG 3.4Å; K569-M573 PolarHBondContact O-N 3.11Å; I570-M573 WeakPolarHBondContact O-CB 3.43Å; I570-M573 PolarHBondContact O-N 3.21Å; I570-M573 VanDerWaalsContact O-N 3.13Å; S571-M573 VanDerWaalsContact C-N 3.3Å; S571-M573 PolarHBondContact O-N 3.34Å; M573-E575 VanDerWaalsContact C-N 3.32Å; M573-E575 PolarHBondContact O-N 3.01Å; M573-T576 PolarHBondContact O-N 3.14Å; M573-Q577 VanDerWaalsContact O-CB 3.26Å; M573-Q577 WeakPolarHBondContact O-CB 3.34Å; M573-Q577 PolarHBondContact O-N 3.32Å; M573-F673 HydrophobicContact CB-CE2 4.02Å; M573-F673 HydrophobicContact CE-CD2 4.3Å; M573-I677 HydrophobicContact CE-CG1 3.78Å; M573-I677 HydrophobicContact SD-CG1 4.28Å; M573-K680 HydrophobicContact SD-CG 4.41Å
574	Y	95.6	Very high	94.5	Very high	28 Å²	28	47.1 Å²	47.1	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-39.2	175.3	-84.6	-72	0	0	0	112.7	M523 H527 I570 S571 P578 F673 I677	M523-Y574 HydrophobicContact CB-CD1 4.26Å; M523-Y574 HydrophobicContact CE-CD1 3.72Å; M523-Y574 HydrophobicContact CE-CE1 4.14Å; M523-Y574 HydrophobicContact CG-CD1 4.16Å; H527-Y574 HydrophobicContact CB-CD1 3.44Å; H527-Y574 VanDerWaalsContact CB-CD1 3.44Å; H527-Y574 HydrophobicContact CB-CD2 4.02Å; H527-Y574 HydrophobicContact CB-CE1 3.66Å; H527-Y574 HydrophobicContact CB-CE2 4.2Å; H527-Y574 HydrophobicContact CB-CG 3.65Å; H527-Y574 AromaticContact CG-CE1 3.88Å; H527-Y574 AromaticContact ND1-CD1 3.93Å; H527-Y574 AromaticContact ND1-CE1 3.75Å; I570-Y574 HydrophobicContact CG2-CD2 3.94Å; I570-Y574 HydrophobicContact CG2-CE2 3.76Å; I570-Y574 WeakPolarHBondContact O-CD2 3.46Å; I570-Y574 PolarHBondContact O-N 3.21Å; S571-Y574 PolarHBondContact O-N 2.83Å; Y574-P578 VanDerWaalsContact O-CD 3.26Å; Y574-P578 WeakPolarHBondContact O-CD 3.5Å; Y574-F673 HydrophobicContact CD1-CE1 4.4Å; Y574-F673 AromaticContact CD1-CZ 3.67Å; Y574-F673 HydrophobicContact CD1-CZ 3.67Å; Y574-F673 AromaticContact CE1-CE1 4Å; Y574-F673 HydrophobicContact CE1-CE1 4Å; Y574-F673 AromaticContact CE1-CZ 3.66Å; Y574-F673 HydrophobicContact CE1-CZ 3.66Å; Y574-F673 HydrophobicContact CG-CZ 4.13Å; Y574-I677 HydrophobicContact CE2-CD1 4.03Å
575	E	94.7	Very high	94.3	Very high	62 Å²	62	47.3 Å²	47.3	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-45.1	175.3	173.2	168.6	-127.1	0	0	113.1	K528 S571 H572 M573	K528-E575 HydrophobicContact CD-CB 4.11Å; K528-E575 IonicContact NZ-OE1 2.63Å; K528-E575 PolarHBondContact NZ-OE1 3.46Å; K528-E575 IonicContact NZ-OE2 2.63Å; K528-E575 PolarHBondContact NZ-OE2 3.4Å; S571-E575 PolarHBondContact O-N 2.94Å; H572-E575 IonicContact CE1-OE2 3.14Å; H572-E575 IonicContact ND1-OE2 2.71Å; H572-E575 PolarHBondContact ND1-OE2 2.94Å; M573-E575 VanDerWaalsContact C-N 3.32Å; M573-E575 PolarHBondContact O-N 3.01Å
576	T	93.4	Very high	94.2	Very high	35 Å²	35	44.7 Å²	44.7	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-89.3	-10.9	-172.8	58.2	0	0	0	0	114.4	H572 M573 K580	H572-T576 VanDerWaalsContact CE1-CG2 3.41Å; H572-T576 WeakPolarHBondContact CE1-CG2 3.27Å; H572-T576 WeakPolarHBondContact O-CG2 3.44Å; H572-T576 PolarHBondContact O-N 3.24Å; H572-T576 PolarHBondContact O-OG1 3.05Å; M573-T576 PolarHBondContact O-N 3.14Å; T576-K580 WeakPolarHBondContact O-CD 3.33Å; T576-K580 VanDerWaalsContact O-CE 3.22Å; T576-K580 WeakPolarHBondContact O-CE 3.47Å; T576-K580 WeakPolarHBondContact O-CG 3.31Å; T576-K580 PolarHBondContact OG1-NZ 3.48Å
577	Q	92.6	Very high	94.1	Very high	9 Å²	9	45 Å²	45	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-38.9	-175.8	178.6	62.6	2.4	0	0	114.9	M523 M573 K579 K580 S669 F673	M523-Q577 HydrophobicContact CE-CB 3.86Å; M523-Q577 HydrophobicContact CE-CG 3.68Å; M573-Q577 VanDerWaalsContact O-CB 3.26Å; M573-Q577 WeakPolarHBondContact O-CB 3.34Å; M573-Q577 PolarHBondContact O-N 3.32Å; Q577-K579 PolarHBondContact O-N 3.02Å; Q577-K580 PolarHBondContact O-N 3.13Å; Q577-S669 PolarHBondContact NE2-OG 2.95Å; Q577-F673 HydrophobicContact CB-CD2 3.72Å; Q577-F673 HydrophobicContact CB-CE2 3.63Å; Q577-F673 HydrophobicContact CB-CZ 4.36Å; Q577-F673 HydrophobicContact CG-CB 4.33Å; Q577-F673 HydrophobicContact CG-CD1 4.35Å; Q577-F673 HydrophobicContact CG-CD2 3.49Å; Q577-F673 VanDerWaalsContact CG-CD2 3.49Å; Q577-F673 HydrophobicContact CG-CE2 3.78Å; Q577-F673 HydrophobicContact CG-CG 3.81Å; Q577-F673 HydrophobicContact CG-CZ 4.33Å
578	P	93	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-58.3	-48	177.9	-29.7	39.2	0	0	0	113.6	A520 M523 V524 Y574 K580 Y581 L582 E583	A520-P578 HydrophobicContact CB-CB 3.91Å; A520-P578 HydrophobicContact CB-CG 4.35Å; M523-P578 HydrophobicContact CB-CG 3.93Å; M523-P578 HydrophobicContact SD-CG 4.35Å; V524-P578 HydrophobicContact CG2-CG 4.03Å; Y574-P578 VanDerWaalsContact O-CD 3.26Å; Y574-P578 WeakPolarHBondContact O-CD 3.5Å; P578-K580 PolarHBondContact O-N 3.37Å; P578-K580 VanDerWaalsContact O-N 3.16Å; P578-Y581 PolarHBondContact O-N 3.39Å; P578-Y581 VanDerWaalsContact O-N 3.13Å; P578-L582 HydrophobicContact CB-CB 4.26Å; P578-L582 HydrophobicContact CB-CD1 4.1Å; P578-L582 HydrophobicContact CB-CG 4.44Å; P578-L582 HydrophobicContact CG-CD1 4.21Å; P578-L582 WeakPolarHBondContact O-CA 3.43Å; P578-L582 PolarHBondContact O-N 3.39Å; P578-E583 PolarHBondContact O-N 2.77Å; P578-E583 VanDerWaalsContact O-N 3.1Å
579	K	90.4	Very high	93.9	Very high	109 Å²	109	41 Å²	41	47%	0.474	19%	0.19	S	C	.	.	I	π-helix	trans	-54.6	-35.7	178.3	-60.6	-157	162.6	-165.9	0	114.1	E418 Q577 E583 P584	E418-K579 VanDerWaalsContact OE1-CE 3.3Å; E418-K579 WeakPolarHBondContact OE1-CE 3.48Å; E418-K579 IonicContact OE1-NZ 2.87Å; E418-K579 PolarHBondContact OE1-NZ 2.97Å; Q577-K579 PolarHBondContact O-N 3.02Å; K579-E583 WeakPolarHBondContact CA-OE1 3.4Å; K579-E583 WeakPolarHBondContact CA-OE2 3.46Å; K579-E583 WeakPolarHBondContact CG-OE1 3.44Å; K579-E583 WeakPolarHBondContact CG-OE2 3.27Å; K579-E583 PolarHBondContact N-OE1 3.45Å; K579-P584 WeakPolarHBondContact O-CD 3.39Å
580	K	86.5	Confident	93.8	Very high	107 Å²	107	39.7 Å²	39.7	47%	0.465	19%	0.185	S	C	.	.	I	π-helix	trans	-71.7	-30.7	-176.7	-65.2	165.4	-166.3	157.8	0	112.7	T576 Q577 P578	T576-K580 WeakPolarHBondContact O-CD 3.33Å; T576-K580 VanDerWaalsContact O-CE 3.22Å; T576-K580 WeakPolarHBondContact O-CE 3.47Å; T576-K580 WeakPolarHBondContact O-CG 3.31Å; T576-K580 PolarHBondContact OG1-NZ 3.48Å; Q577-K580 PolarHBondContact O-N 3.13Å; P578-K580 PolarHBondContact O-N 3.37Å; P578-K580 VanDerWaalsContact O-N 3.16Å
581	Y	87.3	Confident	93.8	Very high	96 Å²	96	39.6 Å²	39.6	38%	0.376	18%	0.184	S	C	.	.	I	π-helix	trans	-152.1	-29.8	-168.9	-65.2	-83.2	0	0	0	117.3	P578 L585 S669	P578-Y581 PolarHBondContact O-N 3.39Å; P578-Y581 VanDerWaalsContact O-N 3.13Å; Y581-L585 WeakPolarHBondContact O-CB 3.43Å; Y581-L585 PolarHBondContact O-N 3.3Å; Y581-L585 VanDerWaalsContact O-N 3.15Å; Y581-S669 WeakPolarHBondContact CB-OG 3.42Å; Y581-S669 VanDerWaalsContact CD2-CB 3.44Å; Y581-S669 WeakPolarHBondContact CD2-OG 3.49Å; Y581-S669 VanDerWaalsContact CE2-OG 3.26Å; Y581-S669 WeakPolarHBondContact CE2-OG 3.36Å
582	L	92.8	Very high	93.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	18%	0.183	C	C	.	.	I	π-helix	trans	-75.9	-39.2	178	-58.8	-173.7	0	0	0	111.1	V516 Q519 A520 M523 P578 L585 M586 F666	V516-L582 HydrophobicContact CG1-CB 3.88Å; V516-L582 HydrophobicContact CG1-CD2 4.21Å; Q519-L582 HydrophobicContact CG-CD1 4.27Å; A520-L582 HydrophobicContact CB-CB 4.46Å; A520-L582 HydrophobicContact CB-CD1 4.03Å; M523-L582 HydrophobicContact SD-CD1 3.95Å; P578-L582 HydrophobicContact CB-CB 4.26Å; P578-L582 HydrophobicContact CB-CD1 4.1Å; P578-L582 HydrophobicContact CB-CG 4.44Å; P578-L582 HydrophobicContact CG-CD1 4.21Å; P578-L582 WeakPolarHBondContact O-CA 3.43Å; P578-L582 PolarHBondContact O-N 3.39Å; L582-L585 WeakPolarHBondContact O-CB 3.47Å; L582-L585 PolarHBondContact O-N 2.93Å; L582-M586 WeakPolarHBondContact O-CG 3.43Å; L582-M586 PolarHBondContact O-N 2.99Å; L582-F666 HydrophobicContact CD2-CD2 4.2Å; L582-F666 HydrophobicContact CD2-CE2 3.74Å
583	E	92.4	Very high	93.8	Very high	59 Å²	59	39 Å²	39	28%	0.276	18%	0.18	S	C	.	.	H	α-helix	trans	-65.4	-53.5	174	-76.9	151.1	-126.6	0	0	111.7	P578 K579 L585 M586 D587	P578-E583 PolarHBondContact O-N 2.77Å; P578-E583 VanDerWaalsContact O-N 3.1Å; K579-E583 WeakPolarHBondContact CA-OE1 3.4Å; K579-E583 WeakPolarHBondContact CA-OE2 3.46Å; K579-E583 WeakPolarHBondContact CG-OE1 3.44Å; K579-E583 WeakPolarHBondContact CG-OE2 3.27Å; K579-E583 PolarHBondContact N-OE1 3.45Å; E583-L585 PolarHBondContact O-N 3.39Å; E583-L585 VanDerWaalsContact O-N 3.11Å; E583-M586 HydrophobicContact CG-CE 3.96Å; E583-M586 PolarHBondContact O-N 3.33Å; E583-D587 PolarHBondContact O-N 2.91Å
584	P	92.1	Very high	93.8	Very high	33 Å²	33	37.8 Å²	37.8	21%	0.214	18%	0.177	C	C	.	.	H	α-helix	trans	-54.6	-29.9	171	-30.2	35.9	0	0	0	115.2	K579 N588	K579-P584 WeakPolarHBondContact O-CD 3.39Å; P584-N588 PolarHBondContact O-N 3.07Å; P584-N588 PolarHBondContact O-ND2 3.21Å
585	L	94.1	Very high	93.8	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-69.3	-45.1	174.5	177.6	61.8	0	0	0	111.4	F512 V516 Y581 L582 E583 D587 N588 F589 M662 I663 F666	F512-L585 HydrophobicContact CZ-CD2 4.46Å; V516-L585 HydrophobicContact CG1-CD2 4.19Å; V516-L585 HydrophobicContact CG2-CD2 3.83Å; Y581-L585 WeakPolarHBondContact O-CB 3.43Å; Y581-L585 PolarHBondContact O-N 3.3Å; Y581-L585 VanDerWaalsContact O-N 3.15Å; L582-L585 WeakPolarHBondContact O-CB 3.47Å; L582-L585 PolarHBondContact O-N 2.93Å; E583-L585 PolarHBondContact O-N 3.39Å; E583-L585 VanDerWaalsContact O-N 3.11Å; L585-D587 VanDerWaalsContact C-N 3.34Å; L585-N588 PolarHBondContact O-N 2.84Å; L585-F589 HydrophobicContact CD1-CD1 4.45Å; L585-F589 HydrophobicContact CD1-CE1 3.53Å; L585-F589 HydrophobicContact CD1-CE2 4.27Å; L585-F589 HydrophobicContact CD1-CZ 3.42Å; L585-F589 VanDerWaalsContact CD1-CZ 3.42Å; L585-F589 HydrophobicContact CD2-CZ 4.17Å; L585-F589 HydrophobicContact CG-CE1 4.08Å; L585-F589 HydrophobicContact CG-CE2 3.92Å; L585-F589 HydrophobicContact CG-CZ 3.55Å; L585-F589 WeakPolarHBondContact O-CD1 3.29Å; L585-F589 WeakPolarHBondContact O-CG 3.49Å; L585-F589 PolarHBondContact O-N 3.12Å; L585-F589 VanDerWaalsContact O-N 3.15Å; L585-M662 HydrophobicContact CD1-CE 4.34Å; L585-M662 HydrophobicContact CD1-CG 3.47Å; L585-M662 VanDerWaalsContact CD1-CG 3.47Å; L585-M662 HydrophobicContact CD1-SD 3.58Å; L585-M662 VanDerWaalsContact CD1-SD 3.58Å; L585-I663 HydrophobicContact CD1-CD1 4.45Å; L585-F666 HydrophobicContact CD2-CD2 3.77Å; L585-F666 HydrophobicContact CD2-CE2 4.2Å; L585-F666 HydrophobicContact CD2-CG 4.23Å
586	M	95.2	Very high	94	Very high	21 Å²	21	34.2 Å²	34.2	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-37	173.8	-68.7	-177.4	-67.1	0	0	112.3	V516 Q517 L582 E583 N588 F589 F590	V516-M586 HydrophobicContact CB-CG 4.13Å; V516-M586 HydrophobicContact CB-SD 4.43Å; V516-M586 HydrophobicContact CG1-CE 4.44Å; V516-M586 HydrophobicContact CG1-CG 3.63Å; V516-M586 HydrophobicContact CG1-SD 4Å; Q517-M586 VanDerWaalsContact CA-SD 3.56Å; Q517-M586 HydrophobicContact CB-SD 3.61Å; Q517-M586 HydrophobicContact CG-SD 4.1Å; L582-M586 WeakPolarHBondContact O-CG 3.43Å; L582-M586 PolarHBondContact O-N 2.99Å; E583-M586 HydrophobicContact CG-CE 3.96Å; E583-M586 PolarHBondContact O-N 3.33Å; M586-N588 VanDerWaalsContact C-N 3.32Å; M586-N588 PolarHBondContact O-N 2.73Å; M586-F589 CarbonylContact O-C 3.59Å; M586-F589 WeakPolarHBondContact O-CA 3.46Å; M586-F589 WeakPolarHBondContact O-CB 3.49Å; M586-F589 PolarHBondContact O-N 2.96Å; M586-F590 PolarHBondContact O-N 2.9Å
587	D	95.4	Very high	94	Very high	12 Å²	12	36 Å²	36	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-37.9	177.6	-72.9	-9	0	0	0	112.3	H422 H425 L426 L429 E583 L585 F590 I591	H422-D587 IonicContact CE1-OD1 3.76Å; H422-D587 PolarHBondContact CE1-OD1 2.94Å; H422-D587 IonicContact CE1-OD2 3.33Å; H422-D587 IonicContact ND1-OD1 2.59Å; H422-D587 PolarHBondContact ND1-OD1 2.99Å; H422-D587 IonicContact ND1-OD2 2.93Å; H422-D587 PolarHBondContact ND1-OD2 3.29Å; H425-D587 IonicContact CD2-OD2 3.57Å; H425-D587 PolarHBondContact CD2-OD2 3.13Å; H425-D587 IonicContact CG-OD2 2.62Å; L426-D587 HydrophobicContact CD2-CB 3.63Å; L426-D587 HydrophobicContact CG-CB 4.31Å; L429-D587 HydrophobicContact CD1-CB 3.76Å; E583-D587 PolarHBondContact O-N 2.91Å; L585-D587 VanDerWaalsContact C-N 3.34Å; D587-F590 WeakPolarHBondContact O-CB 3.5Å; D587-F590 PolarHBondContact O-N 3.43Å; D587-I591 WeakPolarHBondContact O-CG1 3.45Å; D587-I591 PolarHBondContact O-N 2.82Å
588	N	95.1	Very high	94.2	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-38.5	171.6	-79.7	-92	0	0	0	111.7	P584 L585 M586 F590 I591 Y592 M662	P584-N588 PolarHBondContact O-N 3.07Å; P584-N588 PolarHBondContact O-ND2 3.21Å; L585-N588 PolarHBondContact O-N 2.84Å; M586-N588 VanDerWaalsContact C-N 3.32Å; M586-N588 PolarHBondContact O-N 2.73Å; N588-F590 VanDerWaalsContact C-N 3.31Å; N588-F590 PolarHBondContact O-N 2.95Å; N588-I591 PolarHBondContact O-N 3.46Å; N588-Y592 WeakPolarHBondContact O-CD2 3.47Å; N588-Y592 PolarHBondContact O-N 3.48Å; N588-Y592 VanDerWaalsContact O-N 3.08Å; N588-M662 HydrophobicContact CB-SD 3.37Å; N588-M662 WeakPolarHBondContact CB-SD 2.88Å
589	F	96.2	Very high	94.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-36.1	173.9	-59.6	-16.4	0	0	0	112.4	L509 F512 H513 V516 L585 M586 K593 M662	L509-F589 HydrophobicContact CD2-CB 4.41Å; L509-F589 HydrophobicContact CD2-CD1 3.55Å; L509-F589 HydrophobicContact CD2-CE1 3.93Å; L509-F589 HydrophobicContact CD2-CG 3.99Å; F512-F589 HydrophobicContact CB-CE2 4.21Å; F512-F589 HydrophobicContact CB-CZ 4.48Å; F512-F589 HydrophobicContact CD1-CE1 4.13Å; F512-F589 AromaticContact CD1-CE2 3.86Å; F512-F589 HydrophobicContact CD1-CE2 3.86Å; F512-F589 AromaticContact CD1-CZ 3.33Å; F512-F589 HydrophobicContact CD1-CZ 3.33Å; F512-F589 HydrophobicContact CD2-CE2 4.32Å; F512-F589 HydrophobicContact CD2-CZ 4.41Å; F512-F589 HydrophobicContact CE1-CE1 4.29Å; F512-F589 HydrophobicContact CE1-CE2 4.31Å; F512-F589 AromaticContact CE1-CZ 3.49Å; F512-F589 HydrophobicContact CE1-CZ 3.49Å; F512-F589 VanDerWaalsContact CE1-CZ 3.49Å; F512-F589 AromaticContact CG-CE2 3.86Å; F512-F589 HydrophobicContact CG-CE2 3.86Å; F512-F589 AromaticContact CG-CZ 3.83Å; F512-F589 HydrophobicContact CG-CZ 3.83Å; F512-F589 HydrophobicContact CZ-CZ 4.1Å; H513-F589 HydrophobicContact CB-CD2 3.94Å; V516-F589 HydrophobicContact CG2-CE2 4.17Å; L585-F589 HydrophobicContact CD1-CD1 4.45Å; L585-F589 HydrophobicContact CD1-CE1 3.53Å; L585-F589 HydrophobicContact CD1-CE2 4.27Å; L585-F589 HydrophobicContact CD1-CZ 3.42Å; L585-F589 VanDerWaalsContact CD1-CZ 3.42Å; L585-F589 HydrophobicContact CD2-CZ 4.17Å; L585-F589 HydrophobicContact CG-CE1 4.08Å; L585-F589 HydrophobicContact CG-CE2 3.92Å; L585-F589 HydrophobicContact CG-CZ 3.55Å; L585-F589 WeakPolarHBondContact O-CD1 3.29Å; L585-F589 WeakPolarHBondContact O-CG 3.49Å; L585-F589 PolarHBondContact O-N 3.12Å; L585-F589 VanDerWaalsContact O-N 3.15Å; M586-F589 CarbonylContact O-C 3.59Å; M586-F589 WeakPolarHBondContact O-CA 3.46Å; M586-F589 WeakPolarHBondContact O-CB 3.49Å; M586-F589 PolarHBondContact O-N 2.96Å; F589-K593 WeakPolarHBondContact O-CB 3.17Å; F589-K593 PolarHBondContact O-N 3.17Å; F589-M662 HydrophobicContact CD1-CE 4.26Å; F589-M662 HydrophobicContact CD1-SD 4.32Å; F589-M662 HydrophobicContact CE1-CE 3.82Å; F589-M662 HydrophobicContact CE1-SD 4.06Å
590	F	96.3	Very high	94.5	Very high	70 Å²	70	35 Å²	35	31%	0.307	19%	0.189	S	C	.	.	H	α-helix	trans	-59.6	-51	174.2	168.7	-92.2	0	0	0	111.5	P405 L406 L426 M586 D587 N588 Y592 K593 G594	P405-F590 HydrophobicContact CB-CE1 4.08Å; P405-F590 HydrophobicContact CB-CZ 4.08Å; P405-F590 HydrophobicContact CG-CD1 4.13Å; P405-F590 HydrophobicContact CG-CE1 3.66Å; P405-F590 HydrophobicContact CG-CZ 4.06Å; L406-F590 WeakPolarHBondContact O-CZ 3.45Å; L426-F590 HydrophobicContact CD2-CD1 3.75Å; L426-F590 HydrophobicContact CD2-CE1 4.35Å; L426-F590 HydrophobicContact CD2-CG 4.4Å; M586-F590 PolarHBondContact O-N 2.9Å; D587-F590 WeakPolarHBondContact O-CB 3.5Å; D587-F590 PolarHBondContact O-N 3.43Å; N588-F590 VanDerWaalsContact C-N 3.31Å; N588-F590 PolarHBondContact O-N 2.95Å; F590-Y592 PolarHBondContact O-N 2.9Å; F590-K593 PolarHBondContact O-N 3.31Å; F590-G594 PolarHBondContact O-N 3.37Å; F590-G594 VanDerWaalsContact O-N 3.09Å
591	I	97.3	Very high	94.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-52	177.7	-65.4	-67.6	0	0	0	110.5	P404 P405 L429 K433 D587 N588 K593 G594 M595	P404-I591 HydrophobicContact CB-CG2 4.06Å; P405-I591 WeakPolarHBondContact CD-O 3.5Å; P405-I591 HydrophobicContact CG-CD1 4.43Å; L429-I591 HydrophobicContact CB-CD1 4.37Å; L429-I591 HydrophobicContact CB-CG1 4.08Å; L429-I591 HydrophobicContact CD1-CG1 4.27Å; K433-I591 HydrophobicContact CG-CG2 4.17Å; D587-I591 WeakPolarHBondContact O-CG1 3.45Å; D587-I591 PolarHBondContact O-N 2.82Å; N588-I591 PolarHBondContact O-N 3.46Å; I591-K593 PolarHBondContact O-N 3.22Å; I591-G594 PolarHBondContact O-N 3.47Å; I591-M595 HydrophobicContact CG2-SD 4.08Å; I591-M595 WeakPolarHBondContact O-CG 3.47Å; I591-M595 PolarHBondContact O-N 2.87Å; I591-M595 VanDerWaalsContact O-N 3.13Å
592	Y	97.6	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-40.2	-178.4	-85.1	-69.9	0	0	0	113.3	K433 M505 N588 F590 G594 M595 L596 F651 E654 C655 D658 F659	K433-Y592 PolarHBondContact NZ-OH 3.03Å; M505-Y592 HydrophobicContact CE-CD1 4.41Å; N588-Y592 WeakPolarHBondContact O-CD2 3.47Å; N588-Y592 PolarHBondContact O-N 3.48Å; N588-Y592 VanDerWaalsContact O-N 3.08Å; F590-Y592 PolarHBondContact O-N 2.9Å; Y592-G594 VanDerWaalsContact C-N 3.3Å; Y592-G594 PolarHBondContact O-N 3.11Å; Y592-M595 PolarHBondContact O-N 2.86Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 WeakPolarHBondContact O-CD1 3.1Å; Y592-L596 WeakPolarHBondContact O-CG 3.48Å; Y592-L596 PolarHBondContact O-N 3.46Å; Y592-F651 AromaticContact CD1-CE2 3.88Å; Y592-F651 HydrophobicContact CD1-CE2 3.88Å; Y592-F651 AromaticContact CD1-CZ 3.91Å; Y592-F651 HydrophobicContact CD1-CZ 3.91Å; Y592-F651 HydrophobicContact CE1-CE2 4.04Å; Y592-F651 HydrophobicContact CE1-CZ 4.23Å; Y592-E654 VanDerWaalsContact OH-C 3.32Å; Y592-E654 PolarHBondContact OH-O 3.36Å; Y592-E654 VanDerWaalsContact OH-O 3.09Å; Y592-C655 HydrophobicContact CE1-CB 4.41Å; Y592-C655 WeakPolarHBondContact CE1-SG 3.38Å; Y592-C655 PolarHBondContact OH-N 2.76Å; Y592-D658 HydrophobicContact CE2-CB 4.12Å; Y592-D658 WeakPolarHBondContact OH-CB 3.5Å; Y592-D658 PolarHBondContact OH-OD2 3.47Å; Y592-F659 HydrophobicContact CD1-CE2 4.25Å; Y592-F659 AromaticContact CD2-CE2 3.67Å; Y592-F659 HydrophobicContact CD2-CE2 3.67Å; Y592-F659 HydrophobicContact CD2-CZ 4.22Å; Y592-F659 HydrophobicContact CE1-CE2 4.31Å; Y592-F659 HydrophobicContact CE2-CD2 4.31Å; Y592-F659 AromaticContact CE2-CE2 3.73Å; Y592-F659 HydrophobicContact CE2-CE2 3.73Å; Y592-F659 AromaticContact CG-CE2 3.95Å; Y592-F659 HydrophobicContact CG-CE2 3.95Å; Y592-F659 HydrophobicContact CG-CZ 4.37Å
593	K	95.8	Very high	95.3	Very high	98 Å²	98	29.5 Å²	29.5	43%	0.426	17%	0.171	S	C	.	.	H	α-helix	trans	-58.3	-40.5	174.5	177.1	-175.9	169.8	-167.2	0	112	F589 F590 I591 S597	F589-K593 WeakPolarHBondContact O-CB 3.17Å; F589-K593 PolarHBondContact O-N 3.17Å; F590-K593 PolarHBondContact O-N 3.31Å; I591-K593 PolarHBondContact O-N 3.22Å; K593-S597 PolarHBondContact O-N 3.33Å
594	G	95.4	Very high	95.4	Very high	15 Å²	15	31.1 Å²	31.1	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-51.4	175.2	0	0	0	0	0	112.5	F590 I591 Y592 L596 S597	F590-G594 PolarHBondContact O-N 3.37Å; F590-G594 VanDerWaalsContact O-N 3.09Å; I591-G594 PolarHBondContact O-N 3.47Å; Y592-G594 VanDerWaalsContact C-N 3.3Å; Y592-G594 PolarHBondContact O-N 3.11Å; G594-L596 VanDerWaalsContact C-N 3.33Å; G594-L596 PolarHBondContact O-N 3.1Å; G594-S597 WeakPolarHBondContact O-CB 3.45Å; G594-S597 PolarHBondContact O-N 2.71Å; G594-S597 VanDerWaalsContact O-N 3.13Å; G594-S597 PolarHBondContact O-OG 2.96Å
595	M	97.4	Very high	95.5	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-43	178.3	-61.9	176.4	82.7	0	0	111.9	L402 P404 K433 I591 Y592 S597 L598 F651	L402-M595 HydrophobicContact CB-CB 4.41Å; L402-M595 HydrophobicContact CB-CE 4.44Å; L402-M595 WeakPolarHBondContact O-CE 3.25Å; L402-M595 WeakPolarHBondContact O-CG 3.43Å; P404-M595 HydrophobicContact CB-CG 4.15Å; P404-M595 HydrophobicContact CB-SD 4.27Å; K433-M595 HydrophobicContact CD-SD 4.45Å; I591-M595 HydrophobicContact CG2-SD 4.08Å; I591-M595 WeakPolarHBondContact O-CG 3.47Å; I591-M595 PolarHBondContact O-N 2.87Å; I591-M595 VanDerWaalsContact O-N 3.13Å; Y592-M595 PolarHBondContact O-N 2.86Å; M595-S597 VanDerWaalsContact C-N 3.27Å; M595-S597 PolarHBondContact O-N 3.29Å; M595-L598 WeakPolarHBondContact O-CB 3.29Å; M595-L598 PolarHBondContact O-N 3.24Å; M595-F651 HydrophobicContact CB-CD2 4.35Å; M595-F651 HydrophobicContact CB-CE2 3.74Å; M595-F651 HydrophobicContact CE-CD2 3.92Å; M595-F651 HydrophobicContact CE-CE2 4.24Å; M595-F651 HydrophobicContact SD-CE2 4.24Å
596	L	97.1	Very high	95.6	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-33.4	177.4	-72.5	166.8	0	0	0	112.9	M505 E506 L509 Y592 G594 L598 I599 F651	M505-L596 HydrophobicContact CB-CD1 4.28Å; M505-L596 HydrophobicContact CB-CD2 4.41Å; M505-L596 HydrophobicContact CG-CD1 3.89Å; M505-L596 HydrophobicContact CG-CD2 4.44Å; M505-L596 HydrophobicContact SD-CD1 4.16Å; M505-L596 HydrophobicContact SD-CD2 4.03Å; E506-L596 HydrophobicContact CB-CB 4.2Å; E506-L596 HydrophobicContact CB-CD1 4.04Å; E506-L596 HydrophobicContact CG-CB 4.19Å; E506-L596 HydrophobicContact CG-CD1 4.47Å; L509-L596 HydrophobicContact CD1-CD1 3.71Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 WeakPolarHBondContact O-CD1 3.1Å; Y592-L596 WeakPolarHBondContact O-CG 3.48Å; Y592-L596 PolarHBondContact O-N 3.46Å; G594-L596 VanDerWaalsContact C-N 3.33Å; G594-L596 PolarHBondContact O-N 3.1Å; L596-L598 PolarHBondContact O-N 3.49Å; L596-I599 HydrophobicContact CD2-CD1 3.66Å; L596-I599 WeakPolarHBondContact O-CB 3.47Å; L596-I599 PolarHBondContact O-N 3.39Å; L596-F651 HydrophobicContact CD2-CE1 3.85Å; L596-F651 HydrophobicContact CD2-CZ 3.52Å; L596-F651 HydrophobicContact CG-CZ 3.88Å
597	S	94.7	Very high	95.6	Very high	72 Å²	72	31.3 Å²	31.3	50%	0.503	18%	0.175	S	C	.	.	H	α-helix	trans	-64.9	-23.1	179.7	78.2	0	0	0	0	113.6	K593 G594 M595	K593-S597 PolarHBondContact O-N 3.33Å; G594-S597 WeakPolarHBondContact O-CB 3.45Å; G594-S597 PolarHBondContact O-N 2.71Å; G594-S597 VanDerWaalsContact O-N 3.13Å; G594-S597 PolarHBondContact O-OG 2.96Å; M595-S597 VanDerWaalsContact C-N 3.27Å; M595-S597 PolarHBondContact O-N 3.29Å
598	L	95.6	Very high	95.7	Very high	41 Å²	41	31.3 Å²	31.3	22%	0.215	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.9	179	-59.9	173.5	0	0	0	113.7	L402 I403 M595 L596 G600 D601 T602	L402-L598 HydrophobicContact CD2-CB 3.74Å; I403-L598 WeakPolarHBondContact O-CD1 3.35Å; M595-L598 WeakPolarHBondContact O-CB 3.29Å; M595-L598 PolarHBondContact O-N 3.24Å; L596-L598 PolarHBondContact O-N 3.49Å; L598-G600 VanDerWaalsContact C-N 3.3Å; L598-G600 PolarHBondContact O-N 3.25Å; L598-D601 PolarHBondContact O-N 3.37Å; L598-T602 PolarHBondContact O-N 3.23Å; L598-T602 VanDerWaalsContact O-N 3.14Å; L598-T602 PolarHBondContact O-OG1 3.46Å
599	I	95.7	Very high	95.7	Very high	5 Å²	5	30 Å²	30	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-37.7	-176.9	-64.7	173.8	0	0	0	111.2	L402 F498 A499 L596 D601 T602 V603 F648	L402-I599 HydrophobicContact CD1-CD1 4.45Å; L402-I599 HydrophobicContact CD1-CG1 3.97Å; L402-I599 HydrophobicContact CD2-CG1 3.88Å; F498-I599 HydrophobicContact CD1-CD1 4.36Å; F498-I599 HydrophobicContact CD1-CG2 4.2Å; F498-I599 HydrophobicContact CE1-CD1 3.6Å; F498-I599 HydrophobicContact CE1-CG1 4.03Å; F498-I599 HydrophobicContact CE1-CG2 4.25Å; F498-I599 HydrophobicContact CZ-CD1 4.27Å; A499-I599 HydrophobicContact CB-CG2 4.32Å; L596-I599 HydrophobicContact CD2-CD1 3.66Å; L596-I599 WeakPolarHBondContact O-CB 3.47Å; L596-I599 PolarHBondContact O-N 3.39Å; I599-D601 PolarHBondContact O-N 3.09Å; I599-T602 PolarHBondContact O-N 2.67Å; I599-V603 HydrophobicContact CG2-CG2 4.27Å; I599-V603 WeakPolarHBondContact O-CG2 3.43Å; I599-V603 PolarHBondContact O-N 2.85Å; I599-F648 HydrophobicContact CG2-CZ 4.12Å
600	G	94.3	Very high	95.7	Very high	53 Å²	53	30.6 Å²	30.6	55%	0.546	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-43	179.2	0	0	0	0	0	113.3	L598 Q604	L598-G600 VanDerWaalsContact C-N 3.3Å; L598-G600 PolarHBondContact O-N 3.25Å; G600-Q604 PolarHBondContact O-N 3.47Å; G600-Q604 VanDerWaalsContact O-N 3.11Å
601	D	92.9	Very high	95.8	Very high	71 Å²	71	29.3 Å²	29.3	38%	0.38	18%	0.175	S	C	.	.	H	α-helix	trans	-63.2	-43	174.1	-83.8	3.9	0	0	0	111.5	K305 L598 I599 Q604 V605	K305-D601 HydrophobicContact CD-CB 3.78Å; K305-D601 VanDerWaalsContact CD-OD2 3.27Å; K305-D601 WeakPolarHBondContact CD-OD2 3.26Å; K305-D601 WeakPolarHBondContact CE-OD2 3.17Å; K305-D601 IonicContact NZ-OD2 2.69Å; K305-D601 PolarHBondContact NZ-OD2 3.45Å; L598-D601 PolarHBondContact O-N 3.37Å; I599-D601 PolarHBondContact O-N 3.09Å; D601-Q604 WeakPolarHBondContact O-CB 3.24Å; D601-Q604 PolarHBondContact O-N 2.83Å; D601-V605 PolarHBondContact O-N 2.91Å
602	T	94.4	Very high	95.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-41.6	-177.6	-57.6	0	0	0	0	111.6	V400 L598 I599 Q604 V605 H606 I644 F648	V400-T602 HydrophobicContact CB-CG2 4.03Å; V400-T602 HydrophobicContact CG1-CG2 4.35Å; L598-T602 PolarHBondContact O-N 3.23Å; L598-T602 VanDerWaalsContact O-N 3.14Å; L598-T602 PolarHBondContact O-OG1 3.46Å; I599-T602 PolarHBondContact O-N 2.67Å; T602-Q604 VanDerWaalsContact C-N 3.32Å; T602-Q604 PolarHBondContact O-N 3.36Å; T602-V605 WeakPolarHBondContact O-CB 3.11Å; T602-V605 PolarHBondContact O-N 2.66Å; T602-H606 PolarHBondContact O-N 2.8Å; T602-H606 VanDerWaalsContact O-N 3.15Å; T602-I644 HydrophobicContact CG2-CB 4.37Å; T602-I644 HydrophobicContact CG2-CD1 3.96Å; T602-I644 HydrophobicContact CG2-CG1 3.71Å; T602-I644 HydrophobicContact CG2-CG2 3.89Å; T602-F648 HydrophobicContact CG2-CE1 3.75Å; T602-F648 HydrophobicContact CG2-CZ 3.91Å
603	V	95.7	Very high	95.7	Very high	17 Å²	17	31.3 Å²	31.3	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-35.6	172.2	173.4	0	0	0	0	112.1	I495 A499 I599 V605 H606 K607 F648	I495-V603 HydrophobicContact CG2-CB 4.4Å; I495-V603 HydrophobicContact CG2-CG1 4.21Å; I495-V603 HydrophobicContact CG2-CG2 3.76Å; A499-V603 HydrophobicContact CB-CG2 3.75Å; I599-V603 HydrophobicContact CG2-CG2 4.27Å; I599-V603 WeakPolarHBondContact O-CG2 3.43Å; I599-V603 PolarHBondContact O-N 2.85Å; V603-V605 VanDerWaalsContact C-N 3.3Å; V603-V605 PolarHBondContact O-N 2.68Å; V603-H606 PolarHBondContact O-N 2.58Å; V603-K607 HydrophobicContact CG1-CD 4.24Å; V603-K607 HydrophobicContact CG1-CG 4.49Å; V603-K607 PolarHBondContact O-N 3.28Å; V603-F648 HydrophobicContact CG2-CE2 4.35Å; V603-F648 HydrophobicContact CG2-CZ 4.1Å
604	Q	94.9	Very high	95.7	Very high	93 Å²	93	33.1 Å²	33.1	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-66.4	-32	175.1	-175.6	61.1	22.8	0	0	112.1	G600 D601 T602 S608	G600-Q604 PolarHBondContact O-N 3.47Å; G600-Q604 VanDerWaalsContact O-N 3.11Å; D601-Q604 WeakPolarHBondContact O-CB 3.24Å; D601-Q604 PolarHBondContact O-N 2.83Å; T602-Q604 VanDerWaalsContact C-N 3.32Å; T602-Q604 PolarHBondContact O-N 3.36Å; Q604-S608 VanDerWaalsContact O-CB 3.29Å; Q604-S608 WeakPolarHBondContact O-CB 3.39Å; Q604-S608 PolarHBondContact O-N 3.34Å; Q604-S608 PolarHBondContact O-OG 3.15Å
605	V	94.9	Very high	95.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-51.5	171.7	168.6	0	0	0	0	111	F306 T311 V400 D601 T602 V603 K607 S608 A609 V640 I644	F306-V605 HydrophobicContact CB-CG2 4.47Å; F306-V605 HydrophobicContact CD2-CG1 4.28Å; T311-V605 HydrophobicContact CG2-CG1 4.06Å; V400-V605 HydrophobicContact CG1-CB 4.09Å; V400-V605 HydrophobicContact CG1-CG1 3.72Å; V400-V605 HydrophobicContact CG1-CG2 4.28Å; D601-V605 PolarHBondContact O-N 2.91Å; T602-V605 WeakPolarHBondContact O-CB 3.11Å; T602-V605 PolarHBondContact O-N 2.66Å; V603-V605 VanDerWaalsContact C-N 3.3Å; V603-V605 PolarHBondContact O-N 2.68Å; V605-K607 PolarHBondContact O-N 2.87Å; V605-S608 PolarHBondContact O-N 3.45Å; V605-S608 VanDerWaalsContact O-N 3.15Å; V605-A609 PolarHBondContact O-N 3.01Å; V605-V640 HydrophobicContact CG1-CG1 3.76Å; V605-I644 HydrophobicContact CG1-CD1 4.46Å
606	H	95.5	Very high	95.7	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-51.7	-51.6	174.3	160.6	66.5	0	0	0	112.3	I495 T602 V603 S608 A609 N610 D641 I644	I495-H606 HydrophobicContact CD1-CB 4.24Å; I495-H606 HydrophobicContact CG2-CB 4.46Å; T602-H606 PolarHBondContact O-N 2.8Å; T602-H606 VanDerWaalsContact O-N 3.15Å; V603-H606 PolarHBondContact O-N 2.58Å; H606-S608 VanDerWaalsContact C-N 3.3Å; H606-S608 PolarHBondContact O-N 2.91Å; H606-A609 PolarHBondContact O-N 3.06Å; H606-N610 PolarHBondContact CE1-ND2 2.64Å; H606-N610 PolarHBondContact ND1-ND2 2.99Å; H606-N610 VanDerWaalsContact ND1-ND2 3.16Å; H606-N610 PolarHBondContact O-N 2.98Å; H606-N610 PolarHBondContact O-ND2 2.9Å; H606-N610 VanDerWaalsContact O-ND2 3.15Å; H606-D641 IonicContact CE1-OD1 2.82Å; H606-D641 IonicContact CE1-OD2 2.81Å; H606-D641 PolarHBondContact CE1-OD2 2.62Å; H606-D641 IonicContact CG-OD1 3.6Å; H606-D641 IonicContact ND1-OD1 3.07Å; H606-D641 PolarHBondContact ND1-OD1 3.48Å; H606-D641 IonicContact ND1-OD2 2.86Å; H606-D641 PolarHBondContact ND1-OD2 2.98Å; H606-I644 HydrophobicContact CB-CD1 3.8Å
607	K	96.3	Very high	95.6	Very high	58 Å²	58	40.4 Å²	40.4	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-66	-31.2	-179.2	-73.1	-176	179.9	-82.9	0	112.9	E492 E496 V603 V605 A611	E492-K607 IonicContact OE1-NZ 3.17Å; E492-K607 PolarHBondContact OE1-NZ 2.69Å; E496-K607 WeakPolarHBondContact OE1-CE 3.43Å; E496-K607 IonicContact OE1-NZ 2.6Å; E496-K607 PolarHBondContact OE1-NZ 2.76Å; V603-K607 HydrophobicContact CG1-CD 4.24Å; V603-K607 HydrophobicContact CG1-CG 4.49Å; V603-K607 PolarHBondContact O-N 3.28Å; V605-K607 PolarHBondContact O-N 2.87Å; K607-A611 WeakPolarHBondContact O-CB 3.28Å; K607-A611 PolarHBondContact O-N 3.36Å
608	S	96.1	Very high	95.7	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-73.3	-41.3	175.1	-56.5	0	0	0	0	112.1	N304 F306 Q604 V605 H606 A611 K612	N304-S608 PolarHBondContact ND2-OG 3.3Å; F306-S608 VanDerWaalsContact CD1-CB 3.43Å; Q604-S608 VanDerWaalsContact O-CB 3.29Å; Q604-S608 WeakPolarHBondContact O-CB 3.39Å; Q604-S608 PolarHBondContact O-N 3.34Å; Q604-S608 PolarHBondContact O-OG 3.15Å; V605-S608 PolarHBondContact O-N 3.45Å; V605-S608 VanDerWaalsContact O-N 3.15Å; H606-S608 VanDerWaalsContact C-N 3.3Å; H606-S608 PolarHBondContact O-N 2.91Å; S608-A611 WeakPolarHBondContact O-CB 3.38Å; S608-A611 PolarHBondContact O-N 3.22Å; S608-K612 PolarHBondContact O-N 3.37Å
609	A	96.3	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-49.5	175	0	0	0	0	0	111.3	F306 V315 V605 H606 A611 K612 V613 A637	F306-A609 HydrophobicContact CE2-CB 3.93Å; F306-A609 HydrophobicContact CZ-CB 4.45Å; V315-A609 HydrophobicContact CG2-CB 4.25Å; V605-A609 PolarHBondContact O-N 3.01Å; H606-A609 PolarHBondContact O-N 3.06Å; A609-A611 VanDerWaalsContact C-N 3.29Å; A609-A611 PolarHBondContact O-N 2.91Å; A609-K612 WeakPolarHBondContact O-CA 3.36Å; A609-K612 WeakPolarHBondContact O-CB 3.37Å; A609-K612 PolarHBondContact O-N 3.15Å; A609-V613 PolarHBondContact O-N 3.4Å; A609-V613 VanDerWaalsContact O-N 3.14Å; A609-A637 HydrophobicContact CB-CB 4.12Å
610	N	96.2	Very high	95.8	Very high	14 Å²	14	45 Å²	45	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-25.5	178.1	-82.1	-84.7	0	0	0	113.6	H606 K612 V613 R614 D641	H606-N610 PolarHBondContact CE1-ND2 2.64Å; H606-N610 PolarHBondContact ND1-ND2 2.99Å; H606-N610 VanDerWaalsContact ND1-ND2 3.16Å; H606-N610 PolarHBondContact O-N 2.98Å; H606-N610 PolarHBondContact O-ND2 2.9Å; H606-N610 VanDerWaalsContact O-ND2 3.15Å; N610-K612 VanDerWaalsContact C-N 3.35Å; N610-V613 PolarHBondContact O-N 3.39Å; N610-R614 PolarHBondContact O-N 3.46Å; N610-R614 PolarHBondContact O-NE 2.86Å; N610-D641 PolarHBondContact ND2-OD2 2.78Å
611	A	96.6	Very high	95.8	Very high	43 Å²	43	49.3 Å²	49.3	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-40.7	167.4	0	0	0	0	0	111.6	K607 S608 A609 R614 E615	K607-A611 WeakPolarHBondContact O-CB 3.28Å; K607-A611 PolarHBondContact O-N 3.36Å; S608-A611 WeakPolarHBondContact O-CB 3.38Å; S608-A611 PolarHBondContact O-N 3.22Å; A609-A611 VanDerWaalsContact C-N 3.29Å; A609-A611 PolarHBondContact O-N 2.91Å; A611-R614 PolarHBondContact O-N 3.3Å; A611-E615 WeakPolarHBondContact O-CB 3.44Å; A611-E615 PolarHBondContact O-N 2.66Å
612	K	96.3	Very high	96	Very high	31 Å²	31	49.6 Å²	49.6	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-34.1	175.8	-70.1	-50.1	-164.8	-179.9	0	113.9	F306 E312 V315 L316 S608 A609 N610 E615 H616 V633	F306-K612 HydrophobicContact CE1-CG 4.24Å; F306-K612 HydrophobicContact CZ-CG 4.23Å; E312-K612 WeakPolarHBondContact OE1-CE 3.3Å; E312-K612 IonicContact OE1-NZ 3.76Å; V315-K612 HydrophobicContact CG1-CB 4.13Å; L316-K612 HydrophobicContact CD2-CB 4.17Å; L316-K612 HydrophobicContact CD2-CD 4.25Å; L316-K612 HydrophobicContact CD2-CG 4.13Å; S608-K612 PolarHBondContact O-N 3.37Å; A609-K612 WeakPolarHBondContact O-CA 3.36Å; A609-K612 WeakPolarHBondContact O-CB 3.37Å; A609-K612 PolarHBondContact O-N 3.15Å; N610-K612 VanDerWaalsContact C-N 3.35Å; K612-E615 VanDerWaalsContact CD-OE2 3.24Å; K612-E615 WeakPolarHBondContact CD-OE2 3.29Å; K612-E615 IonicContact NZ-OE1 2.74Å; K612-E615 PolarHBondContact NZ-OE1 3.1Å; K612-E615 IonicContact NZ-OE2 3.51Å; K612-E615 PolarHBondContact NZ-OE2 2.97Å; K612-E615 PolarHBondContact O-N 3.29Å; K612-H616 PolarHBondContact O-N 2.84Å; K612-H616 PolarHBondContact O-ND1 3.4Å; K612-V633 HydrophobicContact CB-CG1 4.37Å
613	V	96.6	Very high	96	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-49.1	170.9	-177.5	0	0	0	0	110.9	A609 N610 E615 H616 Q617 V633 R634 A637	A609-V613 PolarHBondContact O-N 3.4Å; A609-V613 VanDerWaalsContact O-N 3.14Å; N610-V613 PolarHBondContact O-N 3.39Å; V613-E615 PolarHBondContact O-N 3.28Å; V613-H616 PolarHBondContact O-N 3.22Å; V613-Q617 WeakPolarHBondContact O-CB 3.27Å; V613-Q617 PolarHBondContact O-N 3.4Å; V613-V633 HydrophobicContact CG2-CG1 4.43Å; V613-R634 HydrophobicContact CG1-CB 4.06Å; V613-R634 HydrophobicContact CG1-CG 3.87Å; V613-A637 HydrophobicContact CG2-CB 3.37Å
614	R	96.4	Very high	96	Very high	135 Å²	135	58.9 Å²	58.9	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-37	178	-69	-179.9	-70.2	-116.5	1.2	112.8	N610 A611 K618	N610-R614 PolarHBondContact O-N 3.46Å; N610-R614 PolarHBondContact O-NE 2.86Å; A611-R614 PolarHBondContact O-N 3.3Å; R614-K618 PolarHBondContact O-N 3.38Å; R614-K618 VanDerWaalsContact O-N 3.11Å
615	E	96.4	Very high	96	Very high	89 Å²	89	55.8 Å²	55.8	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-47.7	174	-170.1	178.8	130.6	0	0	111.4	A611 K612 V613 K618 L619	A611-E615 WeakPolarHBondContact O-CB 3.44Å; A611-E615 PolarHBondContact O-N 2.66Å; K612-E615 VanDerWaalsContact CD-OE2 3.24Å; K612-E615 WeakPolarHBondContact CD-OE2 3.29Å; K612-E615 IonicContact NZ-OE1 2.74Å; K612-E615 PolarHBondContact NZ-OE1 3.1Å; K612-E615 IonicContact NZ-OE2 3.51Å; K612-E615 PolarHBondContact NZ-OE2 2.97Å; K612-E615 PolarHBondContact O-N 3.29Å; V613-E615 PolarHBondContact O-N 3.28Å; E615-K618 PolarHBondContact O-N 3.36Å; E615-L619 WeakPolarHBondContact O-CG 2.85Å; E615-L619 PolarHBondContact O-N 3.21Å
616	H	96	Very high	96	Very high	31 Å²	31	59.5 Å²	59.5	14%	0.144	31%	0.312	C	S	.	.	H	α-helix	trans	-73.4	-36.2	-179.1	-72.5	69.1	0	0	0	112.9	L316 K612 V613 K618 L619 V620 A630 V633	L316-H616 WeakPolarHBondContact CD2-CE1 3.46Å; K612-H616 PolarHBondContact O-N 2.84Å; K612-H616 PolarHBondContact O-ND1 3.4Å; V613-H616 PolarHBondContact O-N 3.22Å; H616-K618 VanDerWaalsContact C-N 3.3Å; H616-K618 PolarHBondContact O-N 3.41Å; H616-L619 PolarHBondContact O-N 3Å; H616-L619 VanDerWaalsContact O-N 3.09Å; H616-V620 PolarHBondContact O-N 3.02Å; H616-A630 HydrophobicContact CB-CB 4.11Å; H616-V633 HydrophobicContact CB-CB 4.43Å; H616-V633 HydrophobicContact CB-CG1 4.37Å
617	Q	95.1	Very high	96	Very high	64 Å²	64	63.9 Å²	63.9	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-44.4	172.4	-170.2	60.5	55.7	0	0	111.1	V613 L619 V620 E621	V613-Q617 WeakPolarHBondContact O-CB 3.27Å; V613-Q617 PolarHBondContact O-N 3.4Å; Q617-L619 PolarHBondContact O-N 3.06Å; Q617-V620 WeakPolarHBondContact O-CB 3.18Å; Q617-V620 PolarHBondContact O-N 3Å; Q617-E621 PolarHBondContact O-N 2.88Å; Q617-E621 VanDerWaalsContact O-N 3.16Å
618	K	96.7	Very high	96	Very high	121 Å²	121	64.3 Å²	64.3	53%	0.526	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-35.5	173.3	-175.4	174.7	178.9	179.5	0	113	R614 E615 H616 V620 E621 D622	R614-K618 PolarHBondContact O-N 3.38Å; R614-K618 VanDerWaalsContact O-N 3.11Å; E615-K618 PolarHBondContact O-N 3.36Å; H616-K618 VanDerWaalsContact C-N 3.3Å; H616-K618 PolarHBondContact O-N 3.41Å; K618-V620 PolarHBondContact O-N 2.89Å; K618-E621 PolarHBondContact O-N 3.4Å; K618-D622 WeakPolarHBondContact O-CB 3.39Å; K618-D622 PolarHBondContact O-N 3.17Å
619	L	96.4	Very high	95.8	Very high	55 Å²	55	67.4 Å²	67.4	29%	0.288	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-28.2	174.5	-71.1	172.1	0	0	0	112.5	E615 H616 Q617 G623 K624 A625	E615-L619 WeakPolarHBondContact O-CG 2.85Å; E615-L619 PolarHBondContact O-N 3.21Å; H616-L619 PolarHBondContact O-N 3Å; H616-L619 VanDerWaalsContact O-N 3.09Å; Q617-L619 PolarHBondContact O-N 3.06Å; L619-G623 PolarHBondContact O-N 2.95Å; L619-K624 HydrophobicContact CB-CB 4.4Å; L619-K624 HydrophobicContact CD2-CB 3.94Å; L619-K624 HydrophobicContact CD2-CD 3.93Å; L619-K624 WeakPolarHBondContact O-CA 3.38Å; L619-K624 PolarHBondContact O-N 3.29Å; L619-A625 HydrophobicContact CB-CB 3.73Å; L619-A625 PolarHBondContact O-N 3.37Å; L619-A625 VanDerWaalsContact O-N 3.09Å
620	V	96.9	Very high	95.8	Very high	38 Å²	38	67.5 Å²	67.5	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-71.6	-44	170.9	178.3	0	0	0	0	111.1	H616 Q617 K618 D622 G623 A625 T626 A630	H616-V620 PolarHBondContact O-N 3.02Å; Q617-V620 WeakPolarHBondContact O-CB 3.18Å; Q617-V620 PolarHBondContact O-N 3Å; K618-V620 PolarHBondContact O-N 2.89Å; V620-D622 VanDerWaalsContact C-N 3.33Å; V620-D622 PolarHBondContact O-N 3.49Å; V620-G623 PolarHBondContact O-N 3.15Å; V620-A625 HydrophobicContact CG2-CB 4.26Å; V620-T626 WeakPolarHBondContact CG2-O 3.35Å; V620-A630 HydrophobicContact CG2-CB 3.67Å
621	E	96.1	Very high	95.8	Very high	143 Å²	143	69.8 Å²	69.8	67%	0.668	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-39.7	175.3	-67.5	160.8	-162.2	0	0	112.5	Q617 K618 G623	Q617-E621 PolarHBondContact O-N 2.88Å; Q617-E621 VanDerWaalsContact O-N 3.16Å; K618-E621 PolarHBondContact O-N 3.4Å; E621-G623 PolarHBondContact O-N 3.21Å
622	D	96.5	Very high	95.7	Very high	77 Å²	77	70.8 Å²	70.8	41%	0.412	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.5	174.4	-84.7	7.6	0	0	0	113.5	K618 V620 K624	K618-D622 WeakPolarHBondContact O-CB 3.39Å; K618-D622 PolarHBondContact O-N 3.17Å; V620-D622 VanDerWaalsContact C-N 3.33Å; V620-D622 PolarHBondContact O-N 3.49Å; D622-K624 HydrophobicContact CB-CD 3.71Å; D622-K624 HydrophobicContact CB-CG 4.06Å; D622-K624 IonicContact OD2-NZ 2.75Å; D622-K624 PolarHBondContact OD2-NZ 2.98Å
623	G	95.1	Very high	95.7	Very high	69 Å²	69	69.6 Å²	69.6	71%	0.711	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	22.4	-177.6	0	0	0	0	0	115.5	L619 V620 E621	L619-G623 PolarHBondContact O-N 2.95Å; V620-G623 PolarHBondContact O-N 3.15Å; E621-G623 PolarHBondContact O-N 3.21Å
624	K	95.6	Very high	95.7	Very high	145 Å²	145	71.8 Å²	71.8	63%	0.63	38%	0.379	S	S	*	.	S	Bend	trans	-106	-13.8	-172.7	-65.2	167.5	-169.6	161	0	114.5	L619 D622	L619-K624 HydrophobicContact CB-CB 4.4Å; L619-K624 HydrophobicContact CD2-CB 3.94Å; L619-K624 HydrophobicContact CD2-CD 3.93Å; L619-K624 WeakPolarHBondContact O-CA 3.38Å; L619-K624 PolarHBondContact O-N 3.29Å; D622-K624 HydrophobicContact CB-CD 3.71Å; D622-K624 HydrophobicContact CB-CG 4.06Å; D622-K624 IonicContact OD2-NZ 2.75Å; D622-K624 PolarHBondContact OD2-NZ 2.98Å
625	A	93.3	Very high	95.6	Very high	28 Å²	28	67.6 Å²	67.6	23%	0.231	37%	0.37	C	S	.	.	S	Bend	trans	-137	160.4	175.8	0	0	0	0	0	110.3	L619 V620	L619-A625 HydrophobicContact CB-CB 3.73Å; L619-A625 PolarHBondContact O-N 3.37Å; L619-A625 VanDerWaalsContact O-N 3.09Å; V620-A625 HydrophobicContact CG2-CB 4.26Å
626	T	95.1	Very high	95.6	Very high	79 Å²	79	65 Å²	65	49%	0.485	36%	0.357	S	S	.	.			trans	-85.9	155.5	173.5	79.1	0	0	0	0	111.1	V620 A628 D629 A630	V620-T626 WeakPolarHBondContact CG2-O 3.35Å; T626-A628 PolarHBondContact O-N 3.23Å; T626-A628 PolarHBondContact OG1-N 3.23Å; T626-D629 VanDerWaalsContact CB-OD2 3.26Å; T626-D629 WeakPolarHBondContact CB-OD2 3.38Å; T626-D629 WeakPolarHBondContact CG2-OD2 3.34Å; T626-D629 PolarHBondContact N-OD2 3.34Å; T626-D629 PolarHBondContact O-N 2.91Å; T626-D629 VanDerWaalsContact O-N 3.13Å; T626-D629 PolarHBondContact OG1-N 3.5Å; T626-D629 PolarHBondContact OG1-OD2 2.97Å; T626-A630 PolarHBondContact O-N 2.64Å
627	L	95.3	Very high	95.7	Very high	95 Å²	95	63.6 Å²	63.6	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-36.7	173.9	-177.5	60.6	0	0	0	111.6	D629 A630 D631	L627-D629 VanDerWaalsContact C-N 3.34Å; L627-D629 PolarHBondContact O-N 3.4Å; L627-A630 PolarHBondContact O-N 2.87Å; L627-D631 WeakPolarHBondContact O-CB 3.3Å; L627-D631 PolarHBondContact O-N 3.42Å
628	A	96	Very high	95.7	Very high	67 Å²	67	61.3 Å²	61.3	55%	0.554	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-35.3	177.1	0	0	0	0	0	113	T626 L632	T626-A628 PolarHBondContact O-N 3.23Å; T626-A628 PolarHBondContact OG1-N 3.23Å; A628-L632 VanDerWaalsContact O-CB 3.32Å; A628-L632 WeakPolarHBondContact O-CB 3.35Å; A628-L632 PolarHBondContact O-N 3.04Å
629	D	93.8	Very high	95.8	Very high	77 Å²	77	56.9 Å²	56.9	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-44.2	174.2	-56.3	-57.1	0	0	0	110.8	T626 L627 L632 V633	T626-D629 VanDerWaalsContact CB-OD2 3.26Å; T626-D629 WeakPolarHBondContact CB-OD2 3.38Å; T626-D629 WeakPolarHBondContact CG2-OD2 3.34Å; T626-D629 PolarHBondContact N-OD2 3.34Å; T626-D629 PolarHBondContact O-N 2.91Å; T626-D629 VanDerWaalsContact O-N 3.13Å; T626-D629 PolarHBondContact OG1-N 3.5Å; T626-D629 PolarHBondContact OG1-OD2 2.97Å; L627-D629 VanDerWaalsContact C-N 3.34Å; L627-D629 PolarHBondContact O-N 3.4Å; D629-L632 PolarHBondContact O-N 3.14Å; D629-V633 WeakPolarHBondContact O-CG2 3.18Å; D629-V633 PolarHBondContact O-N 2.88Å
630	A	95.5	Very high	95.8	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-37.8	178.1	0	0	0	0	0	112.6	H616 V620 T626 L627 L632 V633 R634	H616-A630 HydrophobicContact CB-CB 4.11Å; V620-A630 HydrophobicContact CG2-CB 3.67Å; T626-A630 PolarHBondContact O-N 2.64Å; L627-A630 PolarHBondContact O-N 2.87Å; A630-L632 VanDerWaalsContact C-N 3.34Å; A630-V633 PolarHBondContact O-N 2.73Å; A630-R634 WeakPolarHBondContact O-CB 3.14Å; A630-R634 PolarHBondContact O-N 3.27Å
631	D	95.4	Very high	95.8	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-34.5	174.7	-66.9	-16.2	0	0	0	111.9	L627 R634 S635	L627-D631 WeakPolarHBondContact O-CB 3.3Å; L627-D631 PolarHBondContact O-N 3.42Å; D631-R634 PolarHBondContact O-N 2.84Å; D631-R634 IonicContact OD1-CZ 2.66Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.68Å; D631-R634 IonicContact OD1-NH2 3.77Å; D631-R634 PolarHBondContact OD1-NH2 2.92Å; D631-S635 WeakPolarHBondContact O-CB 3.34Å; D631-S635 PolarHBondContact O-N 3.24Å; D631-S635 PolarHBondContact O-OG 3.14Å
632	L	95.1	Very high	95.9	Very high	64 Å²	64	46 Å²	46	34%	0.335	27%	0.268	S	S	.	.	H	α-helix	trans	-70.6	-35.5	174.3	-174.5	60	0	0	0	112.6	N317 A628 D629 A630 S635 R636	N317-L632 HydrophobicContact CB-CD2 4.04Å; A628-L632 VanDerWaalsContact O-CB 3.32Å; A628-L632 WeakPolarHBondContact O-CB 3.35Å; A628-L632 PolarHBondContact O-N 3.04Å; D629-L632 PolarHBondContact O-N 3.14Å; A630-L632 VanDerWaalsContact C-N 3.34Å; L632-S635 WeakPolarHBondContact CA-OG 3.25Å; L632-S635 PolarHBondContact O-OG 2.82Å; L632-R636 PolarHBondContact O-N 3.04Å
633	V	96.7	Very high	95.9	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-40.7	171.8	170.4	0	0	0	0	110.9	V315 L316 K612 V613 H616 D629 A630 A637	V315-V633 HydrophobicContact CG1-CG1 3.93Å; L316-V633 HydrophobicContact CD2-CG2 4.34Å; K612-V633 HydrophobicContact CB-CG1 4.37Å; V613-V633 HydrophobicContact CG2-CG1 4.43Å; H616-V633 HydrophobicContact CB-CB 4.43Å; H616-V633 HydrophobicContact CB-CG1 4.37Å; D629-V633 WeakPolarHBondContact O-CG2 3.18Å; D629-V633 PolarHBondContact O-N 2.88Å; A630-V633 PolarHBondContact O-N 2.73Å; V633-A637 PolarHBondContact O-N 3.13Å
634	R	95.9	Very high	96.1	Very high	59 Å²	59	39 Å²	39	22%	0.223	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-55	176.5	-166.1	-175.7	-45.1	105.6	7.7	111.6	V613 A630 D631 R636 A637 E638	V613-R634 HydrophobicContact CG1-CB 4.06Å; V613-R634 HydrophobicContact CG1-CG 3.87Å; A630-R634 WeakPolarHBondContact O-CB 3.14Å; A630-R634 PolarHBondContact O-N 3.27Å; D631-R634 PolarHBondContact O-N 2.84Å; D631-R634 IonicContact OD1-CZ 2.66Å; D631-R634 IonicContact OD1-NH1 3.33Å; D631-R634 PolarHBondContact OD1-NH1 2.68Å; D631-R634 IonicContact OD1-NH2 3.77Å; D631-R634 PolarHBondContact OD1-NH2 2.92Å; R634-R636 VanDerWaalsContact C-N 3.25Å; R634-R636 PolarHBondContact O-N 3.17Å; R634-A637 WeakPolarHBondContact O-CA 3.42Å; R634-A637 WeakPolarHBondContact O-CB 3.38Å; R634-A637 PolarHBondContact O-N 3.34Å; R634-E638 WeakPolarHBondContact O-CG 3.38Å; R634-E638 PolarHBondContact O-N 3.2Å
635	S	95.7	Very high	96.2	Very high	47 Å²	47	33.1 Å²	33.1	33%	0.329	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-32.6	-178.6	50.4	0	0	0	0	113.2	D631 L632 V639	D631-S635 WeakPolarHBondContact O-CB 3.34Å; D631-S635 PolarHBondContact O-N 3.24Å; D631-S635 PolarHBondContact O-OG 3.14Å; L632-S635 WeakPolarHBondContact CA-OG 3.25Å; L632-S635 PolarHBondContact O-OG 2.82Å; S635-V639 PolarHBondContact O-N 3.27Å
636	R	96	Very high	96.4	Very high	35 Å²	35	31.8 Å²	31.8	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-74.8	-34.5	171.5	-78.6	-160.8	173.7	99.9	-20.5	114.5	F314 N317 L632 R634 E638 V639 V640	F314-R636 HydrophobicContact CD1-CB 4.28Å; F314-R636 HydrophobicContact CE1-CB 3.76Å; F314-R636 HydrophobicContact CE1-CG 3.91Å; F314-R636 HydrophobicContact CZ-CB 4.26Å; F314-R636 HydrophobicContact CZ-CG 3.89Å; F314-R636 WeakPolarHBondContact O-CD 3.47Å; F314-R636 PolarHBondContact O-NE 3.32Å; N317-R636 VanDerWaalsContact CG-NH1 3.34Å; N317-R636 PolarHBondContact OD1-NH1 2.88Å; N317-R636 PolarHBondContact OD1-NH2 2.97Å; L632-R636 PolarHBondContact O-N 3.04Å; R634-R636 VanDerWaalsContact C-N 3.25Å; R634-R636 PolarHBondContact O-N 3.17Å; R636-E638 VanDerWaalsContact C-N 3.3Å; R636-V639 PolarHBondContact O-N 2.72Å; R636-V640 PolarHBondContact O-N 2.91Å
637	A	96.8	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-37.5	170.2	0	0	0	0	0	111.2	A609 V613 V633 R634 V639 V640 D641	A609-A637 HydrophobicContact CB-CB 4.12Å; V613-A637 HydrophobicContact CG2-CB 3.37Å; V633-A637 PolarHBondContact O-N 3.13Å; R634-A637 WeakPolarHBondContact O-CA 3.42Å; R634-A637 WeakPolarHBondContact O-CB 3.38Å; R634-A637 PolarHBondContact O-N 3.34Å; A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 3.34Å; A637-V640 WeakPolarHBondContact O-CB 3.42Å; A637-V640 PolarHBondContact O-N 3.31Å; A637-V640 VanDerWaalsContact O-N 3.1Å; A637-D641 PolarHBondContact O-N 3.29Å
638	E	96.6	Very high	96.6	Very high	16 Å²	16	23.7 Å²	23.7	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-60.7	-37.8	173.7	-69.5	179.9	104.9	0	0	112.3	H485 L486 R634 R636 V640 D641 Y642	H485-E638 WeakPolarHBondContact CA-OE1 3.48Å; H485-E638 WeakPolarHBondContact CB-OE1 3.46Å; H485-E638 IonicContact CE1-OE2 3.72Å; H485-E638 IonicContact CG-OE1 2.79Å; H485-E638 IonicContact ND1-OE1 2.79Å; H485-E638 PolarHBondContact ND1-OE1 3.49Å; H485-E638 IonicContact ND1-OE2 3.64Å; H485-E638 PolarHBondContact ND1-OE2 3.38Å; L486-E638 PolarHBondContact N-OE1 2.78Å; R634-E638 WeakPolarHBondContact O-CG 3.38Å; R634-E638 PolarHBondContact O-N 3.2Å; R636-E638 VanDerWaalsContact C-N 3.3Å; E638-V640 VanDerWaalsContact C-N 3.33Å; E638-V640 PolarHBondContact O-N 3.01Å; E638-D641 PolarHBondContact O-N 2.9Å; E638-Y642 WeakPolarHBondContact O-CB 3.49Å; E638-Y642 WeakPolarHBondContact O-CD2 3.05Å; E638-Y642 PolarHBondContact O-N 2.98Å
639	V	97.2	Very high	96.6	Very high	28 Å²	28	20.7 Å²	20.7	17%	0.17	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-39.7	172.9	172.2	0	0	0	0	111.9	F314 F476 I479 S635 R636 A637 T643	F314-V639 HydrophobicContact CE1-CB 4.46Å; F314-V639 HydrophobicContact CE1-CG1 4.46Å; F314-V639 HydrophobicContact CZ-CB 4.46Å; F314-V639 HydrophobicContact CZ-CG1 4.24Å; F476-V639 HydrophobicContact CB-CG1 4.23Å; F476-V639 HydrophobicContact CD1-CG1 4.37Å; I479-V639 HydrophobicContact CB-CG1 4.07Å; I479-V639 HydrophobicContact CG2-CG1 4.19Å; S635-V639 PolarHBondContact O-N 3.27Å; R636-V639 PolarHBondContact O-N 2.72Å; A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 3.34Å; V639-T643 WeakPolarHBondContact O-CB 3.39Å; V639-T643 PolarHBondContact O-N 3.33Å; V639-T643 VanDerWaalsContact O-N 3.09Å; V639-T643 PolarHBondContact O-OG1 3.25Å
640	V	97	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-44.1	175	177.4	0	0	0	0	110.5	T311 F314 V315 F476 V605 R636 A637 E638 T643 I644	T311-V640 HydrophobicContact CG2-CG2 4.17Å; F314-V640 HydrophobicContact CD1-CG2 4.34Å; F314-V640 HydrophobicContact CE1-CG2 4.32Å; V315-V640 HydrophobicContact CG2-CG2 4.15Å; F476-V640 HydrophobicContact CD1-CG2 4.01Å; F476-V640 HydrophobicContact CD2-CG2 4.16Å; F476-V640 HydrophobicContact CE1-CB 4.15Å; F476-V640 HydrophobicContact CE1-CG1 4.15Å; F476-V640 HydrophobicContact CE1-CG2 3.91Å; F476-V640 HydrophobicContact CE2-CG2 4.1Å; F476-V640 HydrophobicContact CG-CG2 4.13Å; F476-V640 HydrophobicContact CZ-CB 4.37Å; F476-V640 HydrophobicContact CZ-CG1 4Å; F476-V640 HydrophobicContact CZ-CG2 3.97Å; V605-V640 HydrophobicContact CG1-CG1 3.76Å; R636-V640 PolarHBondContact O-N 2.91Å; A637-V640 WeakPolarHBondContact O-CB 3.42Å; A637-V640 PolarHBondContact O-N 3.31Å; A637-V640 VanDerWaalsContact O-N 3.1Å; E638-V640 VanDerWaalsContact C-N 3.33Å; E638-V640 PolarHBondContact O-N 3.01Å; V640-T643 WeakPolarHBondContact O-CB 3.25Å; V640-T643 PolarHBondContact O-N 3.43Å; V640-I644 HydrophobicContact CG1-CD1 3.91Å; V640-I644 WeakPolarHBondContact O-CG1 3.36Å; V640-I644 PolarHBondContact O-N 3.16Å
641	D	97.4	Very high	96.8	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-72	-40.4	-178.2	-74.6	-3.3	0	0	0	112.8	L486 T491 H606 N610 A637 E638 T643 I644 L645	L486-D641 HydrophobicContact CD1-CB 3.78Å; T491-D641 HydrophobicContact CG2-CB 4.02Å; H606-D641 IonicContact CE1-OD1 2.82Å; H606-D641 IonicContact CE1-OD2 2.81Å; H606-D641 PolarHBondContact CE1-OD2 2.62Å; H606-D641 IonicContact CG-OD1 3.6Å; H606-D641 IonicContact ND1-OD1 3.07Å; H606-D641 PolarHBondContact ND1-OD1 3.48Å; H606-D641 IonicContact ND1-OD2 2.86Å; H606-D641 PolarHBondContact ND1-OD2 2.98Å; N610-D641 PolarHBondContact ND2-OD2 2.78Å; A637-D641 PolarHBondContact O-N 3.29Å; E638-D641 PolarHBondContact O-N 2.9Å; D641-T643 VanDerWaalsContact C-N 3.27Å; D641-T643 PolarHBondContact O-N 3.15Å; D641-I644 PolarHBondContact O-N 2.99Å; D641-L645 WeakPolarHBondContact O-CB 3.37Å; D641-L645 VanDerWaalsContact O-CG 3.27Å; D641-L645 WeakPolarHBondContact O-CG 3Å; D641-L645 PolarHBondContact O-N 2.89Å
642	Y	97.9	Very high	96.8	Very high	4 Å²	4	20 Å²	20	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-54.5	-44.7	168.9	-96.1	-69.7	0	0	0	111.3	I331 I338 C481 P482 R484 L486 E638 L645 A646	I331-Y642 HydrophobicContact CG2-CD1 3.94Å; I338-Y642 HydrophobicContact CD1-CD1 3.72Å; I338-Y642 HydrophobicContact CD1-CE1 3.5Å; I338-Y642 HydrophobicContact CG1-CD1 4.04Å; I338-Y642 HydrophobicContact CG1-CE1 3.8Å; I338-Y642 HydrophobicContact CG2-CD1 3.8Å; I338-Y642 HydrophobicContact CG2-CE1 4.39Å; C481-Y642 HydrophobicContact CB-CD2 3.98Å; C481-Y642 HydrophobicContact CB-CE2 4.45Å; C481-Y642 HydrophobicContact CB-CG 4.13Å; C481-Y642 VanDerWaalsContact SG-CB 3.54Å; P482-Y642 HydrophobicContact CG-CE1 3.91Å; R484-Y642 PolarHBondContact O-OH 2.6Å; R484-Y642 VanDerWaalsContact O-OH 3.05Å; L486-Y642 HydrophobicContact CD1-CD2 3.89Å; L486-Y642 HydrophobicContact CD1-CE2 4.09Å; L486-Y642 HydrophobicContact CD1-CG 4.27Å; L486-Y642 HydrophobicContact CD2-CD1 4.34Å; L486-Y642 HydrophobicContact CD2-CD2 4.24Å; L486-Y642 HydrophobicContact CD2-CE1 3.86Å; L486-Y642 HydrophobicContact CD2-CE2 3.75Å; L486-Y642 HydrophobicContact CD2-CG 4.5Å; L486-Y642 HydrophobicContact CG-CD2 4.01Å; L486-Y642 HydrophobicContact CG-CE2 3.65Å; E638-Y642 WeakPolarHBondContact O-CB 3.49Å; E638-Y642 WeakPolarHBondContact O-CD2 3.05Å; E638-Y642 PolarHBondContact O-N 2.98Å; Y642-L645 PolarHBondContact O-N 3.23Å; Y642-A646 WeakPolarHBondContact O-CB 3.38Å; Y642-A646 PolarHBondContact O-N 3.14Å
643	T	97.6	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-45.4	177.5	-59	0	0	0	0	111.7	W340 V400 M401 F475 F476 V639 V640 D641 E647	W340-T643 HydrophobicContact CH2-CG2 3.92Å; W340-T643 HydrophobicContact CZ2-CG2 3.96Å; V400-T643 HydrophobicContact CG2-CG2 3.59Å; M401-T643 HydrophobicContact CE-CG2 3.38Å; F475-T643 HydrophobicContact CE1-CG2 4.19Å; F476-T643 HydrophobicContact CD1-CG2 4.41Å; F476-T643 HydrophobicContact CE1-CG2 3.83Å; V639-T643 WeakPolarHBondContact O-CB 3.39Å; V639-T643 PolarHBondContact O-N 3.33Å; V639-T643 VanDerWaalsContact O-N 3.09Å; V639-T643 PolarHBondContact O-OG1 3.25Å; V640-T643 WeakPolarHBondContact O-CB 3.25Å; V640-T643 PolarHBondContact O-N 3.43Å; D641-T643 VanDerWaalsContact C-N 3.27Å; D641-T643 PolarHBondContact O-N 3.15Å; T643-E647 WeakPolarHBondContact O-CB 3.16Å; T643-E647 PolarHBondContact O-N 2.75Å
644	I	97.8	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.6	-41.6	179.6	-69.1	171	0	0	0	111.3	V400 I495 T602 V605 H606 V640 D641 E647 F648	V400-I644 HydrophobicContact CB-CG1 4.15Å; V400-I644 HydrophobicContact CG1-CD1 4.3Å; V400-I644 HydrophobicContact CG1-CG1 4.27Å; V400-I644 HydrophobicContact CG2-CG1 4.31Å; I495-I644 HydrophobicContact CD1-CG2 4Å; I495-I644 HydrophobicContact CG1-CG2 4.2Å; T602-I644 HydrophobicContact CG2-CB 4.37Å; T602-I644 HydrophobicContact CG2-CD1 3.96Å; T602-I644 HydrophobicContact CG2-CG1 3.71Å; T602-I644 HydrophobicContact CG2-CG2 3.89Å; V605-I644 HydrophobicContact CG1-CD1 4.46Å; H606-I644 HydrophobicContact CB-CD1 3.8Å; V640-I644 HydrophobicContact CG1-CD1 3.91Å; V640-I644 WeakPolarHBondContact O-CG1 3.36Å; V640-I644 PolarHBondContact O-N 3.16Å; D641-I644 PolarHBondContact O-N 2.99Å; I644-E647 PolarHBondContact O-N 3.03Å; I644-F648 HydrophobicContact CG2-CD1 4.29Å; I644-F648 HydrophobicContact CG2-CD2 3.97Å; I644-F648 HydrophobicContact CG2-CE1 4.02Å; I644-F648 HydrophobicContact CG2-CE2 3.69Å; I644-F648 HydrophobicContact CG2-CG 4.29Å; I644-F648 HydrophobicContact CG2-CZ 3.71Å; I644-F648 WeakPolarHBondContact O-CB 3.24Å; I644-F648 VanDerWaalsContact O-CG 3.27Å; I644-F648 WeakPolarHBondContact O-CG 3.49Å; I644-F648 PolarHBondContact O-N 2.76Å
645	L	97.6	Very high	96.7	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.11	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-42.8	177.5	-69.9	172.1	0	0	0	111.8	I338 L486 T491 N494 I495 D641 Y642 E647 N649	I338-L645 HydrophobicContact CB-CB 4.16Å; I338-L645 HydrophobicContact CD1-CB 4.39Å; I338-L645 HydrophobicContact CD1-CD1 3.68Å; I338-L645 HydrophobicContact CG2-CB 3.95Å; L486-L645 HydrophobicContact CD1-CD1 4.3Å; L486-L645 HydrophobicContact CD2-CD1 4.39Å; T491-L645 HydrophobicContact CG2-CD1 4.15Å; N494-L645 HydrophobicContact CB-CD2 4.09Å; I495-L645 HydrophobicContact CD1-CD2 4.27Å; I495-L645 HydrophobicContact CD1-CG 4.47Å; I495-L645 HydrophobicContact CG1-CD2 3.9Å; D641-L645 WeakPolarHBondContact O-CB 3.37Å; D641-L645 VanDerWaalsContact O-CG 3.27Å; D641-L645 WeakPolarHBondContact O-CG 3Å; D641-L645 PolarHBondContact O-N 2.89Å; Y642-L645 PolarHBondContact O-N 3.23Å; L645-E647 VanDerWaalsContact C-N 3.33Å; L645-E647 PolarHBondContact O-N 3.35Å; L645-N649 WeakPolarHBondContact O-CB 3.41Å; L645-N649 PolarHBondContact O-N 3.45Å
646	A	97.5	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-42.4	175.6	0	0	0	0	0	111.9	I331 I338 W340 Y642 N649 H650	I331-A646 HydrophobicContact CD1-CB 4.11Å; I331-A646 HydrophobicContact CG1-CB 4.22Å; I331-A646 HydrophobicContact CG2-CB 4.13Å; I338-A646 HydrophobicContact CG2-CB 4.05Å; W340-A646 HydrophobicContact CD2-CB 4.01Å; W340-A646 HydrophobicContact CG-CB 4.21Å; W340-A646 HydrophobicContact CZ2-CB 4.17Å; Y642-A646 WeakPolarHBondContact O-CB 3.38Å; Y642-A646 PolarHBondContact O-N 3.14Å; A646-N649 PolarHBondContact O-N 2.71Å; A646-H650 PolarHBondContact O-N 3.4Å
647	E	97.7	Very high	96.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-69.6	-44.7	179.4	178.4	61	-178.8	0	0	112.8	W340 M401 L402 H437 T643 I644 L645 N649 H650 F651	W340-E647 PolarHBondContact NE1-OE2 3.31Å; M401-E647 HydrophobicContact CE-CB 4.4Å; M401-E647 HydrophobicContact SD-CB 4.33Å; M401-E647 HydrophobicContact SD-CG 4.09Å; L402-E647 HydrophobicContact CG-CG 4.12Å; L402-E647 PolarHBondContact N-OE1 2.98Å; H437-E647 IonicContact CE1-OE2 3.5Å; H437-E647 PolarHBondContact CE1-OE2 2.79Å; H437-E647 IonicContact NE2-OE1 3.82Å; H437-E647 PolarHBondContact NE2-OE1 3.25Å; H437-E647 IonicContact NE2-OE2 3.47Å; H437-E647 PolarHBondContact NE2-OE2 3.13Å; T643-E647 WeakPolarHBondContact O-CB 3.16Å; T643-E647 PolarHBondContact O-N 2.75Å; I644-E647 PolarHBondContact O-N 3.03Å; L645-E647 VanDerWaalsContact C-N 3.33Å; L645-E647 PolarHBondContact O-N 3.35Å; E647-N649 PolarHBondContact O-N 3.09Å; E647-H650 PolarHBondContact O-N 3.32Å; E647-H650 VanDerWaalsContact O-N 3.17Å; E647-H650 IonicContact OE2-CD2 2.76Å; E647-F651 PolarHBondContact O-N 2.96Å
648	F	97.5	Very high	96.5	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-31.8	174.2	-73.7	3.1	0	0	0	111.7	L402 I495 F498 I599 T602 V603 I644 R652	L402-F648 HydrophobicContact CD1-CD1 4.24Å; L402-F648 HydrophobicContact CD1-CE1 4.37Å; I495-F648 HydrophobicContact CB-CE2 4.45Å; I495-F648 HydrophobicContact CG1-CD2 4.45Å; I495-F648 HydrophobicContact CG1-CE2 4.27Å; I495-F648 HydrophobicContact CG2-CE2 4.14Å; F498-F648 HydrophobicContact CB-CD2 3.77Å; F498-F648 HydrophobicContact CB-CE2 4.17Å; F498-F648 HydrophobicContact CD1-CB 3.98Å; F498-F648 AromaticContact CD1-CD1 3.73Å; F498-F648 HydrophobicContact CD1-CD1 3.73Å; F498-F648 AromaticContact CD1-CD2 3.18Å; F498-F648 HydrophobicContact CD1-CD2 3.18Å; F498-F648 AromaticContact CD1-CE1 3.9Å; F498-F648 HydrophobicContact CD1-CE1 3.9Å; F498-F648 AromaticContact CD1-CE2 3.37Å; F498-F648 HydrophobicContact CD1-CE2 3.37Å; F498-F648 AromaticContact CD1-CG 3.35Å; F498-F648 HydrophobicContact CD1-CG 3.35Å; F498-F648 AromaticContact CD1-CZ 3.73Å; F498-F648 HydrophobicContact CD1-CZ 3.73Å; F498-F648 HydrophobicContact CD2-CB 3.85Å; F498-F648 HydrophobicContact CD2-CD2 4.26Å; F498-F648 HydrophobicContact CD2-CG 4.17Å; F498-F648 HydrophobicContact CE1-CB 3.87Å; F498-F648 AromaticContact CE1-CD1 3.3Å; F498-F648 HydrophobicContact CE1-CD1 3.3Å; F498-F648 AromaticContact CE1-CD2 3.71Å; F498-F648 HydrophobicContact CE1-CD2 3.71Å; F498-F648 AromaticContact CE1-CE1 3.62Å; F498-F648 HydrophobicContact CE1-CE1 3.62Å; F498-F648 AromaticContact CE1-CE2 3.98Å; F498-F648 HydrophobicContact CE1-CE2 3.98Å; F498-F648 AromaticContact CE1-CG 3.34Å; F498-F648 HydrophobicContact CE1-CG 3.34Å; F498-F648 AromaticContact CE1-CZ 3.94Å; F498-F648 HydrophobicContact CE1-CZ 3.94Å; F498-F648 HydrophobicContact CE2-CB 3.74Å; F498-F648 HydrophobicContact CE2-CG 4.16Å; F498-F648 WeakPolarHBondContact CE2-O 3.42Å; F498-F648 HydrophobicContact CG-CB 3.95Å; F498-F648 AromaticContact CG-CD2 3.48Å; F498-F648 HydrophobicContact CG-CD2 3.48Å; F498-F648 VanDerWaalsContact CG-CD2 3.48Å; F498-F648 HydrophobicContact CG-CE2 4.02Å; F498-F648 AromaticContact CG-CG 3.77Å; F498-F648 HydrophobicContact CG-CG 3.77Å; F498-F648 HydrophobicContact CZ-CB 3.73Å; F498-F648 AromaticContact CZ-CD1 3.83Å; F498-F648 HydrophobicContact CZ-CD1 3.83Å; F498-F648 HydrophobicContact CZ-CD2 4.42Å; F498-F648 AromaticContact CZ-CG 3.75Å; F498-F648 HydrophobicContact CZ-CG 3.75Å; I599-F648 HydrophobicContact CG2-CZ 4.12Å; T602-F648 HydrophobicContact CG2-CE1 3.75Å; T602-F648 HydrophobicContact CG2-CZ 3.91Å; V603-F648 HydrophobicContact CG2-CE2 4.35Å; V603-F648 HydrophobicContact CG2-CZ 4.1Å; I644-F648 HydrophobicContact CG2-CD1 4.29Å; I644-F648 HydrophobicContact CG2-CD2 3.97Å; I644-F648 HydrophobicContact CG2-CE1 4.02Å; I644-F648 HydrophobicContact CG2-CE2 3.69Å; I644-F648 HydrophobicContact CG2-CG 4.29Å; I644-F648 HydrophobicContact CG2-CZ 3.71Å; I644-F648 WeakPolarHBondContact O-CB 3.24Å; I644-F648 VanDerWaalsContact O-CG 3.27Å; I644-F648 WeakPolarHBondContact O-CG 3.49Å; I644-F648 PolarHBondContact O-N 2.76Å; F648-R652 WeakPolarHBondContact O-CB 3.47Å; F648-R652 PolarHBondContact O-N 3.1Å; F648-R652 VanDerWaalsContact O-N 3.1Å
649	N	96.6	Very high	96.4	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-72.3	-42.7	173.3	-152.4	10.3	0	0	0	112.4	N336 I338 L645 A646 E647 R652 N653	N336-N649 PolarHBondContact O-ND2 3.41Å; I338-N649 VanDerWaalsContact O-CB 3.31Å; I338-N649 WeakPolarHBondContact O-CB 3.48Å; I338-N649 PolarHBondContact O-ND2 3.21Å; L645-N649 WeakPolarHBondContact O-CB 3.41Å; L645-N649 PolarHBondContact O-N 3.45Å; A646-N649 PolarHBondContact O-N 2.71Å; E647-N649 PolarHBondContact O-N 3.09Å; N649-R652 PolarHBondContact O-N 3.37Å; N649-R652 PolarHBondContact OD1-NH1 2.91Å; N649-N653 VanDerWaalsContact O-CG 3.23Å; N649-N653 PolarHBondContact O-N 2.83Å; N649-N653 PolarHBondContact O-ND2 3Å; N649-N653 VanDerWaalsContact O-ND2 3.15Å
650	H	96.4	Very high	96.3	Very high	23 Å²	23	30.6 Å²	30.6	11%	0.106	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-48.6	173.7	176.1	53.5	0	0	0	111.8	R436 H437 A646 E647 R652 N653 E654	R436-H650 PolarHBondContact O-CE1 3.4Å; H437-H650 WeakPolarHBondContact CA-NE2 3.48Å; H437-H650 AromaticContact CD2-CD2 3.79Å; H437-H650 AromaticContact CD2-NE2 3.76Å; H437-H650 AromaticContact CG-CD2 3.84Å; H437-H650 AromaticContact CG-NE2 3.54Å; H437-H650 AromaticContact ND1-CD2 3.99Å; H437-H650 AromaticContact NE2-CD2 3.99Å; A646-H650 PolarHBondContact O-N 3.4Å; E647-H650 PolarHBondContact O-N 3.32Å; E647-H650 VanDerWaalsContact O-N 3.17Å; E647-H650 IonicContact OE2-CD2 2.76Å; H650-R652 VanDerWaalsContact C-N 3.33Å; H650-R652 PolarHBondContact O-N 2.95Å; H650-N653 PolarHBondContact O-N 3.15Å; H650-E654 VanDerWaalsContact CE1-CG 3.45Å; H650-E654 WeakPolarHBondContact CE1-CG 3.31Å; H650-E654 WeakPolarHBondContact O-CB 3.43Å; H650-E654 WeakPolarHBondContact O-CG 3.25Å; H650-E654 PolarHBondContact O-N 3.4Å
651	F	97.1	Very high	96.1	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-44.2	175.5	179.7	-90.8	0	0	0	112.5	L402 F498 M501 M505 Y592 M595 L596 E647 E654 C655	L402-F651 HydrophobicContact CD1-CB 3.93Å; L402-F651 HydrophobicContact CD1-CD2 3.82Å; L402-F651 HydrophobicContact CD1-CG 3.85Å; F498-F651 AromaticContact CE2-CD1 3.99Å; F498-F651 HydrophobicContact CE2-CD1 3.99Å; F498-F651 HydrophobicContact CZ-CB 4.17Å; F498-F651 AromaticContact CZ-CD1 3.49Å; F498-F651 HydrophobicContact CZ-CD1 3.49Å; F498-F651 VanDerWaalsContact CZ-CD1 3.49Å; F498-F651 HydrophobicContact CZ-CE1 4.24Å; F498-F651 HydrophobicContact CZ-CG 4.09Å; M501-F651 HydrophobicContact CE-CE1 4.41Å; M505-F651 HydrophobicContact SD-CE1 4.45Å; Y592-F651 AromaticContact CD1-CE2 3.88Å; Y592-F651 HydrophobicContact CD1-CE2 3.88Å; Y592-F651 AromaticContact CD1-CZ 3.91Å; Y592-F651 HydrophobicContact CD1-CZ 3.91Å; Y592-F651 HydrophobicContact CE1-CE2 4.04Å; Y592-F651 HydrophobicContact CE1-CZ 4.23Å; M595-F651 HydrophobicContact CB-CD2 4.35Å; M595-F651 HydrophobicContact CB-CE2 3.74Å; M595-F651 HydrophobicContact CE-CD2 3.92Å; M595-F651 HydrophobicContact CE-CE2 4.24Å; M595-F651 HydrophobicContact SD-CE2 4.24Å; L596-F651 HydrophobicContact CD2-CE1 3.85Å; L596-F651 HydrophobicContact CD2-CZ 3.52Å; L596-F651 HydrophobicContact CG-CZ 3.88Å; E647-F651 PolarHBondContact O-N 2.96Å; F651-E654 PolarHBondContact O-N 3.46Å; F651-C655 WeakPolarHBondContact CE1-SG 3.47Å; F651-C655 WeakPolarHBondContact CZ-SG 3.27Å; F651-C655 WeakPolarHBondContact O-CB 3.44Å; F651-C655 PolarHBondContact O-N 2.86Å; F651-C655 PolarHBondContact O-SG 2.78Å
652	R	95.5	Very high	95.9	Very high	101 Å²	101	36.7 Å²	36.7	38%	0.381	18%	0.177	S	C	.	.	H	α-helix	trans	-60	-47.8	176.7	-175.1	-170.5	-62.1	112.7	-0.8	111.5	F648 N649 H650 C655 V656	F648-R652 WeakPolarHBondContact O-CB 3.47Å; F648-R652 PolarHBondContact O-N 3.1Å; F648-R652 VanDerWaalsContact O-N 3.1Å; N649-R652 PolarHBondContact O-N 3.37Å; N649-R652 PolarHBondContact OD1-NH1 2.91Å; H650-R652 VanDerWaalsContact C-N 3.33Å; H650-R652 PolarHBondContact O-N 2.95Å; R652-C655 WeakPolarHBondContact O-CB 3.48Å; R652-C655 PolarHBondContact O-N 2.8Å; R652-V656 WeakPolarHBondContact O-CG2 3.42Å; R652-V656 PolarHBondContact O-N 2.68Å
653	N	94.2	Very high	95.6	Very high	61 Å²	61	39 Å²	39	33%	0.326	19%	0.189	S	C	.	.	H	α-helix	trans	-64.6	-41.8	-179.6	-66.4	-28.8	0	0	0	111.5	N649 H650 V656 F657	N649-N653 VanDerWaalsContact O-CG 3.23Å; N649-N653 PolarHBondContact O-N 2.83Å; N649-N653 PolarHBondContact O-ND2 3Å; N649-N653 VanDerWaalsContact O-ND2 3.15Å; H650-N653 PolarHBondContact O-N 3.15Å; N653-V656 PolarHBondContact O-N 3Å; N653-F657 PolarHBondContact O-N 3.5Å
654	E	95.1	Very high	95.3	Very high	18 Å²	18	41 Å²	41	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-44.2	173	-79.5	-69.6	109.4	0	0	112.2	K433 R436 Y592 H650 F651 F657 D658	K433-E654 IonicContact NZ-OE2 3.87Å; K433-E654 PolarHBondContact NZ-OE2 3.34Å; R436-E654 IonicContact CZ-OE1 2.68Å; R436-E654 IonicContact CZ-OE2 3.03Å; R436-E654 IonicContact NE-OE1 2.78Å; R436-E654 PolarHBondContact NE-OE1 3.41Å; R436-E654 IonicContact NE-OE2 3.6Å; R436-E654 PolarHBondContact NE-OE2 3.45Å; R436-E654 VanDerWaalsContact NE-OE2 3.1Å; R436-E654 IonicContact NH1-OE2 3.07Å; R436-E654 IonicContact NH2-OE1 3.16Å; R436-E654 PolarHBondContact NH2-OE1 2.9Å; R436-E654 IonicContact NH2-OE2 2.76Å; R436-E654 PolarHBondContact NH2-OE2 2.87Å; R436-E654 VanDerWaalsContact NH2-OE2 3.11Å; Y592-E654 VanDerWaalsContact OH-C 3.32Å; Y592-E654 PolarHBondContact OH-O 3.36Å; Y592-E654 VanDerWaalsContact OH-O 3.09Å; H650-E654 VanDerWaalsContact CE1-CG 3.45Å; H650-E654 WeakPolarHBondContact CE1-CG 3.31Å; H650-E654 WeakPolarHBondContact O-CB 3.43Å; H650-E654 WeakPolarHBondContact O-CG 3.25Å; H650-E654 PolarHBondContact O-N 3.4Å; F651-E654 PolarHBondContact O-N 3.46Å; E654-F657 PolarHBondContact O-N 2.95Å; E654-D658 WeakPolarHBondContact O-CB 3.36Å; E654-D658 PolarHBondContact O-N 2.94Å
655	C	95.1	Very high	95	Very high	14 Å²	14	45.5 Å²	45.5	10%	0.095	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-49.6	174.2	-69	0	0	0	0	111.8	M505 Y592 F651 R652 F657 D658 F659	M505-C655 HydrophobicContact CE-CB 4.48Å; Y592-C655 HydrophobicContact CE1-CB 4.41Å; Y592-C655 WeakPolarHBondContact CE1-SG 3.38Å; Y592-C655 PolarHBondContact OH-N 2.76Å; F651-C655 WeakPolarHBondContact CE1-SG 3.47Å; F651-C655 WeakPolarHBondContact CZ-SG 3.27Å; F651-C655 WeakPolarHBondContact O-CB 3.44Å; F651-C655 PolarHBondContact O-N 2.86Å; F651-C655 PolarHBondContact O-SG 2.78Å; R652-C655 WeakPolarHBondContact O-CB 3.48Å; R652-C655 PolarHBondContact O-N 2.8Å; C655-F657 VanDerWaalsContact C-N 3.31Å; C655-F657 PolarHBondContact O-N 3.25Å; C655-D658 PolarHBondContact O-N 2.89Å; C655-F659 HydrophobicContact CB-CD2 4.42Å; C655-F659 WeakPolarHBondContact O-CB 3.41Å; C655-F659 VanDerWaalsContact O-CD2 3.29Å; C655-F659 WeakPolarHBondContact O-CD2 3.32Å; C655-F659 PolarHBondContact O-N 3.39Å
656	V	94.5	Very high	94.6	Very high	86 Å²	86	46.4 Å²	46.4	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-41.8	-178.4	171.5	0	0	0	0	110.9	R652 N653 N660	R652-V656 WeakPolarHBondContact O-CG2 3.42Å; R652-V656 PolarHBondContact O-N 2.68Å; N653-V656 PolarHBondContact O-N 3Å; V656-N660 WeakPolarHBondContact O-CB 3.42Å; V656-N660 PolarHBondContact O-N 3.36Å; V656-N660 PolarHBondContact O-ND2 2.95Å
657	F	94.4	Very high	94.4	Very high	122 Å²	122	51 Å²	51	54%	0.535	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-53.3	176.1	-176.5	-78.2	0	0	0	112	N653 E654 C655 K661	N653-F657 PolarHBondContact O-N 3.5Å; E654-F657 PolarHBondContact O-N 2.95Å; C655-F657 VanDerWaalsContact C-N 3.31Å; C655-F657 PolarHBondContact O-N 3.25Å; F657-K661 HydrophobicContact CE1-CD 4.34Å; F657-K661 PolarHBondContact O-N 3.49Å; F657-K661 VanDerWaalsContact O-N 3.16Å
658	D	96	Very high	94.1	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-39.4	-171.6	-80.6	7.2	0	0	0	112.2	K433 R436 Y592 E654 C655 K661 M662	K433-D658 WeakPolarHBondContact CE-OD2 3.45Å; K433-D658 IonicContact NZ-OD2 2.76Å; K433-D658 PolarHBondContact NZ-OD2 3.11Å; R436-D658 IonicContact CZ-OD1 2.78Å; R436-D658 IonicContact NH1-OD1 3.33Å; R436-D658 PolarHBondContact NH1-OD1 3.09Å; R436-D658 IonicContact NH1-OD2 3.58Å; R436-D658 IonicContact NH2-OD1 2.72Å; R436-D658 PolarHBondContact NH2-OD1 3.41Å; R436-D658 VanDerWaalsContact NH2-OD1 3.07Å; Y592-D658 HydrophobicContact CE2-CB 4.12Å; Y592-D658 WeakPolarHBondContact OH-CB 3.5Å; Y592-D658 PolarHBondContact OH-OD2 3.47Å; E654-D658 WeakPolarHBondContact O-CB 3.36Å; E654-D658 PolarHBondContact O-N 2.94Å; C655-D658 PolarHBondContact O-N 2.89Å; D658-K661 PolarHBondContact O-N 3.41Å; D658-M662 WeakPolarHBondContact O-CB 3.31Å; D658-M662 PolarHBondContact O-N 2.9Å
659	F	95.4	Very high	93.8	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-37.7	179.2	-80.8	-107.6	0	0	0	112.3	M505 L509 Y592 C655 K661 M662 I663	M505-F659 HydrophobicContact CE-CD2 4.36Å; M505-F659 HydrophobicContact CE-CE1 4.22Å; M505-F659 HydrophobicContact CE-CE2 3.48Å; M505-F659 VanDerWaalsContact CE-CE2 3.48Å; M505-F659 HydrophobicContact CE-CZ 3.4Å; M505-F659 VanDerWaalsContact CE-CZ 3.4Å; L509-F659 HydrophobicContact CD1-CZ 4.36Å; L509-F659 HydrophobicContact CD2-CE1 3.98Å; L509-F659 HydrophobicContact CD2-CZ 3.93Å; Y592-F659 HydrophobicContact CD1-CE2 4.25Å; Y592-F659 AromaticContact CD2-CE2 3.67Å; Y592-F659 HydrophobicContact CD2-CE2 3.67Å; Y592-F659 HydrophobicContact CD2-CZ 4.22Å; Y592-F659 HydrophobicContact CE1-CE2 4.31Å; Y592-F659 HydrophobicContact CE2-CD2 4.31Å; Y592-F659 AromaticContact CE2-CE2 3.73Å; Y592-F659 HydrophobicContact CE2-CE2 3.73Å; Y592-F659 AromaticContact CG-CE2 3.95Å; Y592-F659 HydrophobicContact CG-CE2 3.95Å; Y592-F659 HydrophobicContact CG-CZ 4.37Å; C655-F659 HydrophobicContact CB-CD2 4.42Å; C655-F659 WeakPolarHBondContact O-CB 3.41Å; C655-F659 VanDerWaalsContact O-CD2 3.29Å; C655-F659 WeakPolarHBondContact O-CD2 3.32Å; C655-F659 PolarHBondContact O-N 3.39Å; F659-K661 VanDerWaalsContact C-N 3.34Å; F659-K661 PolarHBondContact O-N 2.96Å; F659-M662 HydrophobicContact CB-CE 4.43Å; F659-M662 HydrophobicContact CD1-CE 3.46Å; F659-M662 VanDerWaalsContact CD1-CE 3.46Å; F659-M662 HydrophobicContact CD2-CE 4.02Å; F659-M662 HydrophobicContact CE1-CE 3.52Å; F659-M662 HydrophobicContact CE2-CE 4.09Å; F659-M662 HydrophobicContact CG-CE 3.72Å; F659-M662 HydrophobicContact CZ-CE 3.84Å; F659-I663 WeakPolarHBondContact O-CB 3.38Å; F659-I663 VanDerWaalsContact O-CG1 3.3Å; F659-I663 WeakPolarHBondContact O-CG1 3.49Å; F659-I663 PolarHBondContact O-N 3.44Å
660	N	94.4	Very high	93.6	Very high	119 Å²	119	56.8 Å²	56.8	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-45.5	172.1	-85.8	-60.7	0	0	0	111.5	V656 G664	V656-N660 WeakPolarHBondContact O-CB 3.42Å; V656-N660 PolarHBondContact O-N 3.36Å; V656-N660 PolarHBondContact O-ND2 2.95Å; N660-G664 PolarHBondContact O-N 2.77Å; N660-G664 VanDerWaalsContact O-N 3.11Å
661	K	92.4	Very high	93.5	Very high	116 Å²	116	60 Å²	60	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-52.5	177.1	179.7	-177.3	172.5	-169.6	0	111.9	F657 D658 F659 G664 Q665	F657-K661 HydrophobicContact CE1-CD 4.34Å; F657-K661 PolarHBondContact O-N 3.49Å; F657-K661 VanDerWaalsContact O-N 3.16Å; D658-K661 PolarHBondContact O-N 3.41Å; F659-K661 VanDerWaalsContact C-N 3.34Å; F659-K661 PolarHBondContact O-N 2.96Å; K661-G664 PolarHBondContact O-N 2.74Å; K661-Q665 WeakPolarHBondContact O-CB 3.49Å; K661-Q665 VanDerWaalsContact O-CG 3.29Å; K661-Q665 WeakPolarHBondContact O-CG 3.31Å; K661-Q665 PolarHBondContact O-N 2.93Å
662	M	92.5	Very high	93.4	Very high	15 Å²	15	64 Å²	64	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-50.2	-174.8	176.6	176.7	63.4	0	0	112.2	L585 N588 F589 D658 F659 Q665 F666	L585-M662 HydrophobicContact CD1-CE 4.34Å; L585-M662 HydrophobicContact CD1-CG 3.47Å; L585-M662 VanDerWaalsContact CD1-CG 3.47Å; L585-M662 HydrophobicContact CD1-SD 3.58Å; L585-M662 VanDerWaalsContact CD1-SD 3.58Å; N588-M662 HydrophobicContact CB-SD 3.37Å; N588-M662 WeakPolarHBondContact CB-SD 2.88Å; F589-M662 HydrophobicContact CD1-CE 4.26Å; F589-M662 HydrophobicContact CD1-SD 4.32Å; F589-M662 HydrophobicContact CE1-CE 3.82Å; F589-M662 HydrophobicContact CE1-SD 4.06Å; D658-M662 WeakPolarHBondContact O-CB 3.31Å; D658-M662 PolarHBondContact O-N 2.9Å; F659-M662 HydrophobicContact CB-CE 4.43Å; F659-M662 HydrophobicContact CD1-CE 3.46Å; F659-M662 VanDerWaalsContact CD1-CE 3.46Å; F659-M662 HydrophobicContact CD2-CE 4.02Å; F659-M662 HydrophobicContact CE1-CE 3.52Å; F659-M662 HydrophobicContact CE2-CE 4.09Å; F659-M662 HydrophobicContact CG-CE 3.72Å; F659-M662 HydrophobicContact CZ-CE 3.84Å; M662-Q665 PolarHBondContact O-N 3.17Å; M662-F666 WeakPolarHBondContact O-CB 3.31Å; M662-F666 PolarHBondContact O-N 2.92Å
663	I	92.6	Very high	93.4	Very high	54 Å²	54	59.6 Å²	59.6	28%	0.277	31%	0.312	S	S	.	.	H	α-helix	trans	-70.6	-36.6	179.1	-57.5	-58.1	0	0	0	110.7	F512 L585 F659 Q665 F666 L667	F512-I663 HydrophobicContact CE1-CD1 4.07Å; L585-I663 HydrophobicContact CD1-CD1 4.45Å; F659-I663 WeakPolarHBondContact O-CB 3.38Å; F659-I663 VanDerWaalsContact O-CG1 3.3Å; F659-I663 WeakPolarHBondContact O-CG1 3.49Å; F659-I663 PolarHBondContact O-N 3.44Å; I663-Q665 PolarHBondContact O-N 2.85Å; I663-F666 PolarHBondContact O-N 3.31Å; I663-L667 HydrophobicContact CG2-CD1 4.24Å; I663-L667 HydrophobicContact CG2-CG 4.47Å; I663-L667 WeakPolarHBondContact O-CG 3.22Å; I663-L667 PolarHBondContact O-N 3Å
664	G	91.4	Very high	93.5	Very high	40 Å²	40	60.7 Å²	60.7	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-41.4	172.1	0	0	0	0	0	113.2	N660 K661 L668	N660-G664 PolarHBondContact O-N 2.77Å; N660-G664 VanDerWaalsContact O-N 3.11Å; K661-G664 PolarHBondContact O-N 2.74Å; G664-L668 WeakPolarHBondContact O-CB 3.42Å; G664-L668 PolarHBondContact O-N 3.45Å
665	Q	90.6	Very high	93.6	Very high	96 Å²	96	64.8 Å²	64.8	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-39	175.4	-73.5	-176.4	-68.2	0	0	112.4	K661 M662 I663 L668 S669	K661-Q665 WeakPolarHBondContact O-CB 3.49Å; K661-Q665 VanDerWaalsContact O-CG 3.29Å; K661-Q665 WeakPolarHBondContact O-CG 3.31Å; K661-Q665 PolarHBondContact O-N 2.93Å; M662-Q665 PolarHBondContact O-N 3.17Å; I663-Q665 PolarHBondContact O-N 2.85Å; Q665-L668 PolarHBondContact O-N 3.32Å; Q665-S669 VanDerWaalsContact O-CB 3.23Å; Q665-S669 WeakPolarHBondContact O-CB 3.34Å; Q665-S669 PolarHBondContact O-N 2.99Å
666	F	90.5	Very high	93.7	Very high	39 Å²	39	65.2 Å²	65.2	17%	0.171	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-48	172.9	167.3	-100.3	0	0	0	111.9	L582 L585 M662 I663 S669 Q670	L582-F666 HydrophobicContact CD2-CD2 4.2Å; L582-F666 HydrophobicContact CD2-CE2 3.74Å; L585-F666 HydrophobicContact CD2-CD2 3.77Å; L585-F666 HydrophobicContact CD2-CE2 4.2Å; L585-F666 HydrophobicContact CD2-CG 4.23Å; M662-F666 WeakPolarHBondContact O-CB 3.31Å; M662-F666 PolarHBondContact O-N 2.92Å; I663-F666 PolarHBondContact O-N 3.31Å; F666-S669 WeakPolarHBondContact O-CB 3.37Å; F666-S669 PolarHBondContact O-N 3.03Å; F666-Q670 HydrophobicContact CD2-CG 4.41Å; F666-Q670 HydrophobicContact CE1-CG 4.37Å; F666-Q670 HydrophobicContact CE2-CG 3.97Å; F666-Q670 HydrophobicContact CZ-CG 3.94Å; F666-Q670 WeakPolarHBondContact O-CG 3.31Å; F666-Q670 PolarHBondContact O-N 3.01Å
667	L	92.3	Very high	93.8	Very high	97 Å²	97	62 Å²	62	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-43.6	178.8	-69.4	173.4	0	0	0	112.1	I663 S669 Q670 I671	I663-L667 HydrophobicContact CG2-CD1 4.24Å; I663-L667 HydrophobicContact CG2-CG 4.47Å; I663-L667 WeakPolarHBondContact O-CG 3.22Å; I663-L667 PolarHBondContact O-N 3Å; L667-S669 VanDerWaalsContact C-N 3.31Å; L667-S669 PolarHBondContact O-N 3.36Å; L667-Q670 PolarHBondContact O-N 3.23Å; L667-I671 WeakPolarHBondContact O-CD1 3.41Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.4Å; L667-I671 PolarHBondContact O-N 3.21Å
668	L	91.9	Very high	94	Very high	99 Å²	99	59.6 Å²	59.6	52%	0.518	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175	179.2	60.5	0	0	0	111.7	G664 Q665 I671 T672	G664-L668 WeakPolarHBondContact O-CB 3.42Å; G664-L668 PolarHBondContact O-N 3.45Å; Q665-L668 PolarHBondContact O-N 3.32Å; L668-I671 WeakPolarHBondContact O-CB 3.48Å; L668-I671 PolarHBondContact O-N 2.93Å; L668-T672 PolarHBondContact O-N 2.87Å; L668-T672 PolarHBondContact O-OG1 2.86Å
669	S	91.5	Very high	94.1	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-48.1	176	165.7	0	0	0	0	113	Q577 Y581 Q665 F666 L667 I671 T672 F673	Q577-S669 PolarHBondContact NE2-OG 2.95Å; Y581-S669 WeakPolarHBondContact CB-OG 3.42Å; Y581-S669 VanDerWaalsContact CD2-CB 3.44Å; Y581-S669 WeakPolarHBondContact CD2-OG 3.49Å; Y581-S669 VanDerWaalsContact CE2-OG 3.26Å; Y581-S669 WeakPolarHBondContact CE2-OG 3.36Å; Q665-S669 VanDerWaalsContact O-CB 3.23Å; Q665-S669 WeakPolarHBondContact O-CB 3.34Å; Q665-S669 PolarHBondContact O-N 2.99Å; F666-S669 WeakPolarHBondContact O-CB 3.37Å; F666-S669 PolarHBondContact O-N 3.03Å; L667-S669 VanDerWaalsContact C-N 3.31Å; L667-S669 PolarHBondContact O-N 3.36Å; S669-I671 VanDerWaalsContact C-N 3.32Å; S669-I671 PolarHBondContact O-N 3.24Å; S669-T672 PolarHBondContact O-N 3.32Å; S669-F673 WeakPolarHBondContact O-CB 3.48Å; S669-F673 PolarHBondContact O-N 2.88Å
670	Q	92.2	Very high	94.2	Very high	28 Å²	28	62.6 Å²	62.6	13%	0.131	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-42	177.1	-67.3	-62.1	-60.9	0	0	111	F666 L667 F673 Y674	F666-Q670 HydrophobicContact CD2-CG 4.41Å; F666-Q670 HydrophobicContact CE1-CG 4.37Å; F666-Q670 HydrophobicContact CE2-CG 3.97Å; F666-Q670 HydrophobicContact CZ-CG 3.94Å; F666-Q670 WeakPolarHBondContact O-CG 3.31Å; F666-Q670 PolarHBondContact O-N 3.01Å; L667-Q670 PolarHBondContact O-N 3.23Å; Q670-F673 PolarHBondContact O-N 2.93Å; Q670-Y674 HydrophobicContact CB-CE2 4.33Å; Q670-Y674 WeakPolarHBondContact O-CD2 3.4Å; Q670-Y674 PolarHBondContact O-N 3.35Å
671	I	93.7	Very high	94.3	Very high	90 Å²	90	60.3 Å²	60.3	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-51.9	175.3	-69.4	163.8	0	0	0	110.9	L667 L668 S669 F673 Y674 Q675	L667-I671 WeakPolarHBondContact O-CD1 3.41Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.4Å; L667-I671 PolarHBondContact O-N 3.21Å; L668-I671 WeakPolarHBondContact O-CB 3.48Å; L668-I671 PolarHBondContact O-N 2.93Å; S669-I671 VanDerWaalsContact C-N 3.32Å; S669-I671 PolarHBondContact O-N 3.24Å; I671-F673 VanDerWaalsContact C-N 3.32Å; I671-F673 PolarHBondContact O-N 3.13Å; I671-Y674 PolarHBondContact O-N 3.03Å; I671-Q675 HydrophobicContact CG2-CG 4.4Å; I671-Q675 WeakPolarHBondContact O-CB 3.34Å; I671-Q675 WeakPolarHBondContact O-CG 3.42Å; I671-Q675 PolarHBondContact O-N 3.45Å
672	T	95	Very high	94.6	Very high	84 Å²	84	60.4 Å²	60.4	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-36.8	179.3	-60.9	0	0	0	0	112.6	L668 S669 G676	L668-T672 PolarHBondContact O-N 2.87Å; L668-T672 PolarHBondContact O-OG1 2.86Å; S669-T672 PolarHBondContact O-N 3.32Å; T672-G676 PolarHBondContact O-N 3.09Å
673	F	95.5	Very high	94.8	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-53.1	176.6	172.1	-106.5	0	0	0	112.4	M523 M573 Y574 Q577 S669 Q670 I671 Q675 G676 I677	M523-F673 HydrophobicContact CE-CE1 3.74Å; M523-F673 HydrophobicContact CE-CE2 4.18Å; M523-F673 HydrophobicContact CE-CZ 3.54Å; M573-F673 HydrophobicContact CB-CE2 4.02Å; M573-F673 HydrophobicContact CE-CD2 4.3Å; Y574-F673 HydrophobicContact CD1-CE1 4.4Å; Y574-F673 AromaticContact CD1-CZ 3.67Å; Y574-F673 HydrophobicContact CD1-CZ 3.67Å; Y574-F673 AromaticContact CE1-CE1 4Å; Y574-F673 HydrophobicContact CE1-CE1 4Å; Y574-F673 AromaticContact CE1-CZ 3.66Å; Y574-F673 HydrophobicContact CE1-CZ 3.66Å; Y574-F673 HydrophobicContact CG-CZ 4.13Å; Q577-F673 HydrophobicContact CB-CD2 3.72Å; Q577-F673 HydrophobicContact CB-CE2 3.63Å; Q577-F673 HydrophobicContact CB-CZ 4.36Å; Q577-F673 HydrophobicContact CG-CB 4.33Å; Q577-F673 HydrophobicContact CG-CD1 4.35Å; Q577-F673 HydrophobicContact CG-CD2 3.49Å; Q577-F673 VanDerWaalsContact CG-CD2 3.49Å; Q577-F673 HydrophobicContact CG-CE2 3.78Å; Q577-F673 HydrophobicContact CG-CG 3.81Å; Q577-F673 HydrophobicContact CG-CZ 4.33Å; S669-F673 WeakPolarHBondContact O-CB 3.48Å; S669-F673 PolarHBondContact O-N 2.88Å; Q670-F673 PolarHBondContact O-N 2.93Å; I671-F673 VanDerWaalsContact C-N 3.32Å; I671-F673 PolarHBondContact O-N 3.13Å; F673-Q675 VanDerWaalsContact C-N 3.33Å; F673-Q675 PolarHBondContact O-N 2.77Å; F673-G676 PolarHBondContact O-N 2.86Å; F673-I677 HydrophobicContact CD1-CD1 4.37Å; F673-I677 HydrophobicContact CE1-CD1 3.75Å; F673-I677 HydrophobicContact CE2-CD1 4.12Å; F673-I677 HydrophobicContact CZ-CD1 3.61Å; F673-I677 PolarHBondContact O-N 3.33Å; F673-I677 VanDerWaalsContact O-N 3.16Å
674	Y	96.4	Very high	94.9	Very high	84 Å²	84	62 Å²	62	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-68.4	-32	179.2	-67.8	-62.8	0	0	0	112.6	Q670 I671 I677 V678	Q670-Y674 HydrophobicContact CB-CE2 4.33Å; Q670-Y674 WeakPolarHBondContact O-CD2 3.4Å; Q670-Y674 PolarHBondContact O-N 3.35Å; I671-Y674 PolarHBondContact O-N 3.03Å; Y674-I677 HydrophobicContact CD1-CD1 4.42Å; Y674-I677 PolarHBondContact O-N 2.85Å; Y674-V678 WeakPolarHBondContact O-CG2 3.41Å; Y674-V678 PolarHBondContact O-N 3.42Å
675	Q	97.3	Very high	95.2	Very high	105 Å²	105	66.6 Å²	66.6	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-48	170.5	-77.3	171.4	-22.4	0	0	111.6	I671 F673 I677 V678 D679	I671-Q675 HydrophobicContact CG2-CG 4.4Å; I671-Q675 WeakPolarHBondContact O-CB 3.34Å; I671-Q675 WeakPolarHBondContact O-CG 3.42Å; I671-Q675 PolarHBondContact O-N 3.45Å; F673-Q675 VanDerWaalsContact C-N 3.33Å; F673-Q675 PolarHBondContact O-N 2.77Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 2.76Å; Q675-V678 WeakPolarHBondContact O-CB 3.38Å; Q675-V678 PolarHBondContact O-N 3.2Å; Q675-V678 VanDerWaalsContact O-N 3.1Å; Q675-D679 PolarHBondContact O-N 3.38Å
676	G	97	Very high	95.5	Very high	22 Å²	22	64.7 Å²	64.7	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-34.9	177.3	0	0	0	0	0	113.8	T672 F673 K680	T672-G676 PolarHBondContact O-N 3.09Å; F673-G676 PolarHBondContact O-N 2.86Å; G676-K680 VanDerWaalsContact O-CG 3.26Å; G676-K680 WeakPolarHBondContact O-CG 3.26Å; G676-K680 PolarHBondContact O-N 2.78Å; G676-K680 VanDerWaalsContact O-N 3.07Å
677	I	97.1	Very high	95.7	Very high	18 Å²	18	67.4 Å²	67.4	9%	0.092	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-47.1	172.6	-65.6	178	0	0	0	110.2	I570 M573 Y574 F673 Y674 Q675 D679 K680 L681	I570-I677 HydrophobicContact CD1-CG2 4.15Å; I570-I677 HydrophobicContact CG1-CG2 4.33Å; I570-I677 HydrophobicContact CG2-CD1 4.29Å; I570-I677 HydrophobicContact CG2-CG1 4.29Å; I570-I677 HydrophobicContact CG2-CG2 4.34Å; M573-I677 HydrophobicContact CE-CG1 3.78Å; M573-I677 HydrophobicContact SD-CG1 4.28Å; Y574-I677 HydrophobicContact CE2-CD1 4.03Å; F673-I677 HydrophobicContact CD1-CD1 4.37Å; F673-I677 HydrophobicContact CE1-CD1 3.75Å; F673-I677 HydrophobicContact CE2-CD1 4.12Å; F673-I677 HydrophobicContact CZ-CD1 3.61Å; F673-I677 PolarHBondContact O-N 3.33Å; F673-I677 VanDerWaalsContact O-N 3.16Å; Y674-I677 HydrophobicContact CD1-CD1 4.42Å; Y674-I677 PolarHBondContact O-N 2.85Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 2.76Å; I677-D679 VanDerWaalsContact C-N 3.3Å; I677-D679 PolarHBondContact O-N 3.37Å; I677-K680 PolarHBondContact O-N 3.23Å; I677-L681 HydrophobicContact CG2-CD1 3.98Å; I677-L681 HydrophobicContact CG2-CG 4.44Å; I677-L681 WeakPolarHBondContact O-CG 3.42Å; I677-L681 PolarHBondContact O-N 3.16Å
678	V	98.1	Very high	95.8	Very high	73 Å²	73	67.6 Å²	67.6	44%	0.442	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-41	177.7	164.1	0	0	0	0	111.5	Y674 Q675 L681 K682	Y674-V678 WeakPolarHBondContact O-CG2 3.41Å; Y674-V678 PolarHBondContact O-N 3.42Å; Q675-V678 WeakPolarHBondContact O-CB 3.38Å; Q675-V678 PolarHBondContact O-N 3.2Å; Q675-V678 VanDerWaalsContact O-N 3.1Å; V678-L681 PolarHBondContact O-N 2.59Å; V678-K682 WeakPolarHBondContact O-CG 3.49Å; V678-K682 PolarHBondContact O-N 3.23Å
679	D	97.8	Very high	95.5	Very high	68 Å²	68	71.9 Å²	71.9	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-70.5	-38.1	179.7	-65.2	-29.5	0	0	0	112.2	Q675 I677 L681 K682 E683	Q675-D679 PolarHBondContact O-N 3.38Å; I677-D679 VanDerWaalsContact C-N 3.3Å; I677-D679 PolarHBondContact O-N 3.37Å; D679-L681 VanDerWaalsContact C-N 3.33Å; D679-L681 PolarHBondContact O-N 3Å; D679-K682 WeakPolarHBondContact O-CB 3.43Å; D679-K682 PolarHBondContact O-N 3.23Å; D679-K682 IonicContact OD1-NZ 2.58Å; D679-K682 PolarHBondContact OD1-NZ 3.05Å; D679-E683 WeakPolarHBondContact O-CG 3.43Å; D679-E683 PolarHBondContact O-N 3.42Å
680	K	97.5	Very high	95.7	Very high	55 Å²	55	75.3 Å²	75.3	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-38.3	170.9	-71.8	-80.5	158.3	-88.5	0	112.5	C566 K569 I570 M573 G676 I677 E683 A684	C566-K680 PolarHBondContact SG-O 2.97Å; K569-K680 HydrophobicContact CB-CD 4.25Å; K569-K680 HydrophobicContact CD-CD 4.15Å; I570-K680 HydrophobicContact CD1-CB 4.4Å; I570-K680 HydrophobicContact CG1-CB 4.25Å; M573-K680 HydrophobicContact SD-CG 4.41Å; G676-K680 VanDerWaalsContact O-CG 3.26Å; G676-K680 WeakPolarHBondContact O-CG 3.26Å; G676-K680 PolarHBondContact O-N 2.78Å; G676-K680 VanDerWaalsContact O-N 3.07Å; I677-K680 PolarHBondContact O-N 3.23Å; K680-E683 IonicContact NZ-OE1 2.64Å; K680-E683 PolarHBondContact NZ-OE1 2.67Å; K680-E683 IonicContact NZ-OE2 2.82Å; K680-E683 PolarHBondContact NZ-OE2 2.9Å; K680-E683 PolarHBondContact O-N 3.13Å; K680-A684 PolarHBondContact O-N 3.01Å; K680-A684 VanDerWaalsContact O-N 3.15Å
681	L	97.7	Very high	95.9	Very high	72 Å²	72	77.8 Å²	77.8	38%	0.377	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-35.6	174.9	-69.4	171.6	0	0	0	112.3	I570 I677 V678 D679 A684 Y685	I570-L681 HydrophobicContact CD1-CD2 3.85Å; I570-L681 HydrophobicContact CD1-CG 4.02Å; I677-L681 HydrophobicContact CG2-CD1 3.98Å; I677-L681 HydrophobicContact CG2-CG 4.44Å; I677-L681 WeakPolarHBondContact O-CG 3.42Å; I677-L681 PolarHBondContact O-N 3.16Å; V678-L681 PolarHBondContact O-N 2.59Å; D679-L681 VanDerWaalsContact C-N 3.33Å; D679-L681 PolarHBondContact O-N 3Å; L681-A684 PolarHBondContact O-N 3.45Å; L681-Y685 VanDerWaalsContact O-CB 3.29Å; L681-Y685 WeakPolarHBondContact O-CB 3.32Å; L681-Y685 PolarHBondContact O-N 3.21Å
682	K	97.5	Very high	96	Very high	118 Å²	118	77.1 Å²	77.1	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-44.6	171.2	-68.9	169.2	-166.7	156.7	0	112	V678 D679 A684 Y685 A686	V678-K682 WeakPolarHBondContact O-CG 3.49Å; V678-K682 PolarHBondContact O-N 3.23Å; D679-K682 WeakPolarHBondContact O-CB 3.43Å; D679-K682 PolarHBondContact O-N 3.23Å; D679-K682 IonicContact OD1-NZ 2.58Å; D679-K682 PolarHBondContact OD1-NZ 3.05Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.85Å; K682-Y685 PolarHBondContact O-N 2.86Å; K682-A686 WeakPolarHBondContact O-CB 3.15Å; K682-A686 PolarHBondContact O-N 2.79Å
683	E	96.3	Very high	96	Very high	93 Å²	93	76.7 Å²	76.7	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-55.7	-45	176.3	-74.2	163.7	-144.4	0	0	111.3	D679 K680 H687	D679-E683 WeakPolarHBondContact O-CG 3.43Å; D679-E683 PolarHBondContact O-N 3.42Å; K680-E683 IonicContact NZ-OE1 2.64Å; K680-E683 PolarHBondContact NZ-OE1 2.67Å; K680-E683 IonicContact NZ-OE2 2.82Å; K680-E683 PolarHBondContact NZ-OE2 2.9Å; K680-E683 PolarHBondContact O-N 3.13Å; E683-H687 PolarHBondContact O-CD2 2.79Å
684	A	96.5	Very high	96.1	Very high	8 Å²	8	80.9 Å²	80.9	7%	0.066	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-42	176.5	0	0	0	0	0	113	C566 K680 L681 K682 A686 H687 F688	C566-A684 HydrophobicContact CB-CB 3.77Å; K680-A684 PolarHBondContact O-N 3.01Å; K680-A684 VanDerWaalsContact O-N 3.15Å; L681-A684 PolarHBondContact O-N 3.45Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.85Å; A684-A686 VanDerWaalsContact C-N 3.32Å; A684-A686 PolarHBondContact O-N 3.3Å; A684-H687 PolarHBondContact O-N 2.82Å; A684-F688 WeakPolarHBondContact O-CD2 3Å
685	Y	97	Very high	96	Very high	138 Å²	138	80.7 Å²	80.7	54%	0.541	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-38.9	179.4	170	-92.5	0	0	0	112.4	L681 K682 H687 F688 E689	L681-Y685 VanDerWaalsContact O-CB 3.29Å; L681-Y685 WeakPolarHBondContact O-CB 3.32Å; L681-Y685 PolarHBondContact O-N 3.21Å; K682-Y685 PolarHBondContact O-N 2.86Å; Y685-H687 PolarHBondContact O-N 3.07Å; Y685-F688 PolarHBondContact O-N 2.9Å; Y685-E689 VanDerWaalsContact CE1-CD 3.49Å; Y685-E689 HydrophobicContact CE1-CG 4.03Å; Y685-E689 WeakPolarHBondContact CE1-OE1 3.37Å; Y685-E689 VanDerWaalsContact CZ-OE1 3.27Å; Y685-E689 PolarHBondContact OH-OE1 3.05Å
686	A	96.6	Very high	96	Very high	55 Å²	55	79 Å²	79	46%	0.455	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-0.7	179	0	0	0	0	0	114.9	K682 A684	K682-A686 WeakPolarHBondContact O-CB 3.15Å; K682-A686 PolarHBondContact O-N 2.79Å; A684-A686 VanDerWaalsContact C-N 3.32Å; A684-A686 PolarHBondContact O-N 3.3Å
687	H	94.8	Very high	95.9	Very high	97 Å²	97	83.4 Å²	83.4	45%	0.449	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.6	170.3	-67.5	-62.2	0	0	0	113.8	A559 L562 E683 A684 Y685	A559-H687 HydrophobicContact CB-CB 4.03Å; A559-H687 VanDerWaalsContact CB-O 3.29Å; A559-H687 WeakPolarHBondContact CB-O 3.27Å; L562-H687 HydrophobicContact CD1-CB 4.38Å; E683-H687 PolarHBondContact O-CD2 2.79Å; A684-H687 PolarHBondContact O-N 2.82Å; Y685-H687 PolarHBondContact O-N 3.07Å
688	F	94.2	Very high	95.8	Very high	101 Å²	101	88.8 Å²	88.8	44%	0.443	43%	0.434	S	S	.	.			trans	-108.2	3	173.5	-62.1	-91.4	0	0	0	113.3	L556 A559 T563 A684 Y685	L556-F688 HydrophobicContact CD1-CD1 4.45Å; L556-F688 HydrophobicContact CD1-CE1 4.03Å; A559-F688 HydrophobicContact CB-CD1 3.91Å; A559-F688 HydrophobicContact CB-CD2 4.23Å; A559-F688 HydrophobicContact CB-CE1 3.63Å; A559-F688 HydrophobicContact CB-CE2 3.97Å; A559-F688 HydrophobicContact CB-CG 4.21Å; A559-F688 HydrophobicContact CB-CZ 3.67Å; T563-F688 WeakPolarHBondContact OG1-CE2 3.33Å; T563-F688 WeakPolarHBondContact OG1-CZ 3.35Å; A684-F688 WeakPolarHBondContact O-CD2 3Å; Y685-F688 PolarHBondContact O-N 2.9Å
689	E	85.4	Confident	95.6	Very high	188 Å²	188	90.3 Å²	90.3	88%	0.879	43%	0.433	S	S	*	.			trans	-101.9	0	173.3	-60	-169	147.6	0	0	111.3	Y685	Y685-E689 VanDerWaalsContact CE1-CD 3.49Å; Y685-E689 HydrophobicContact CE1-CG 4.03Å; Y685-E689 WeakPolarHBondContact CE1-OE1 3.37Å; Y685-E689 VanDerWaalsContact CZ-OE1 3.27Å; Y685-E689 PolarHBondContact OH-OE1 3.05Å

Retrieved 689 of 689 residues in 1227.2 ms (Link to these results)

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