A0A077YX99_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077YX99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 549 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	41.3	Very low	46.4	Very low	225 Å²	225	168.5 Å²	168.5	100%	1.108	85%	0.849	S	S	*	*				0	129	0	-59.7	-167.8	-161.3	0	0	108.1
2	P	49.2	Very low	46.3	Very low	125 Å²	125	159.1 Å²	159.1	81%	0.812	83%	0.827	S	S	*	*			trans	-84.3	125.9	-177.9	32.5	-28.9	0	0	0	110.1	K4	P2-K4 PolarHBondContact O-N 3.07Å
3	F	52.8	Low	45.9	Very low	200 Å²	200	159.2 Å²	159.2	88%	0.877	82%	0.821	S	S	*	*			trans	-72.3	111.7	179	-65.8	-83.6	0	0	0	109.7	L5	F3-L5 PolarHBondContact O-N 3.27Å
4	K	44.9	Very low	46	Very low	196 Å²	196	161.1 Å²	161.1	85%	0.852	81%	0.814	S	S	*	*			trans	-65.1	105.7	170.2	-73.4	-177.6	176.9	179.9	0	108.4	P2 C6	P2-K4 PolarHBondContact O-N 3.07Å; K4-C6 PolarHBondContact O-N 3.05Å
5	L	48.7	Very low	46	Very low	153 Å²	153	161.1 Å²	161.1	80%	0.801	81%	0.81	S	S	*	*			trans	-61.4	106.2	170.8	-141.2	87.9	0	0	0	107.5	F3 Q7	F3-L5 PolarHBondContact O-N 3.27Å; L5-Q7 PolarHBondContact O-N 2.87Å
6	C	45.3	Very low	46.7	Very low	118 Å²	118	156.6 Å²	156.6	80%	0.797	79%	0.788	S	S	*	*			trans	-67.5	83.8	173.4	-70.5	0	0	0	0	109.2	K4 N8	K4-C6 PolarHBondContact O-N 3.05Å; C6-N8 PolarHBondContact O-N 2.79Å
7	Q	42.9	Very low	47.4	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	76%	0.764	S	S	*	*			trans	-66.3	76.2	164.8	-68.9	-176.4	-14.4	0	0	108.6	L5	L5-Q7 PolarHBondContact O-N 2.87Å
8	N	44.5	Very low	48.6	Very low	144 Å²	144	153.5 Å²	153.5	77%	0.77	77%	0.771	S	S	*	*			trans	-165.5	28.9	165.7	-97.8	-21.8	0	0	0	113.3	C6 R10	C6-N8 PolarHBondContact O-N 2.79Å; N8-R10 PolarHBondContact O-N 2.54Å
9	K	45.2	Very low	50.4	Low	205 Å²	205	152.2 Å²	152.2	89%	0.891	76%	0.762	S	S	*	*			trans	-76.7	78	159.7	-68.3	-170.6	-178.3	-179.6	0	107.6	A11	K9-A11 PolarHBondContact O-N 3.11Å
10	R	46.4	Very low	52.3	Low	222 Å²	222	149 Å²	149	84%	0.838	75%	0.745	S	S	*	*			trans	-46.6	124.5	162.7	-76.9	179	173.4	176	-3	106.6	N8 G12	N8-R10 PolarHBondContact O-N 2.54Å; R10-G12 PolarHBondContact O-N 3.16Å
11	A	49.5	Very low	54.1	Low	100 Å²	100	142.5 Å²	142.5	83%	0.826	71%	0.713	S	S	*	*			trans	-44.3	119	175.1	0	0	0	0	0	108	K9 H13	K9-A11 PolarHBondContact O-N 3.11Å; A11-H13 PolarHBondContact O-N 3.36Å
12	G	45	Very low	56.5	Low	56 Å²	56	134.9 Å²	134.9	58%	0.577	68%	0.675	S	S	*	*			trans	-55.7	110.2	-177.4	0	0	0	0	0	108.3	R10 Y14	R10-G12 PolarHBondContact O-N 3.16Å; G12-Y14 VanDerWaalsContact C-N 3.29Å; G12-Y14 VanDerWaalsContact O-CD2 3.23Å; G12-Y14 WeakPolarHBondContact O-CD2 3.4Å; G12-Y14 PolarHBondContact O-N 3.44Å
13	H	41.6	Very low	58.6	Low	161 Å²	161	128.9 Å²	128.9	75%	0.745	64%	0.637	S	S	*	*			trans	-61.6	101.3	164.2	-171.7	55.9	0	0	0	105.1	A11 E15	A11-H13 PolarHBondContact O-N 3.36Å; H13-E15 PolarHBondContact O-N 3.44Å
14	Y	47.3	Very low	60.7	Low	185 Å²	185	120.4 Å²	120.4	73%	0.725	60%	0.602	S	S	*	*			trans	-69.6	86.1	169.4	-64.4	-91	0	0	0	105.5	G12 L16	G12-Y14 VanDerWaalsContact C-N 3.29Å; G12-Y14 VanDerWaalsContact O-CD2 3.23Å; G12-Y14 WeakPolarHBondContact O-CD2 3.4Å; G12-Y14 PolarHBondContact O-N 3.44Å; Y14-L16 PolarHBondContact O-N 3.2Å
15	E	45.6	Very low	63.2	Low	162 Å²	162	111 Å²	111	76%	0.757	56%	0.561	S	S	*	*			trans	-57.7	109.2	159.1	-80.2	-176.9	163.5	0	0	105.2	H13 S17	H13-E15 PolarHBondContact O-N 3.44Å; E15-S17 PolarHBondContact O-N 3.08Å; E15-S17 VanDerWaalsContact O-N 3.13Å
16	L	56.6	Low	65.6	Low	88 Å²	88	107 Å²	107	46%	0.461	54%	0.539	S	S	.	.			trans	-45.9	125.6	160.9	-71	159.5	0	0	0	105.5	Y14 M20 I22 T36	Y14-L16 PolarHBondContact O-N 3.2Å; L16-M20 HydrophobicContact CD2-CB 4.4Å; L16-I22 HydrophobicContact CD1-CD1 3.73Å; L16-I22 HydrophobicContact CD1-CG1 3.78Å; L16-T36 HydrophobicContact CD2-CG2 4.23Å
17	S	59.1	Low	68.1	Low	55 Å²	55	102 Å²	102	39%	0.385	50%	0.503	S	S	.	.			trans	-49.4	150.1	177.6	54.6	0	0	0	0	108.5	E15 E19 M20	E15-S17 PolarHBondContact O-N 3.08Å; E15-S17 VanDerWaalsContact O-N 3.13Å; S17-E19 PolarHBondContact O-N 3.37Å; S17-M20 PolarHBondContact O-N 3.39Å
18	K	68.8	Low	70.7	Confident	203 Å²	203	95.6 Å²	95.6	88%	0.883	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.7	177.2	-71.9	-178.9	178.1	176.6	0	113.5	R83	K18-R83 PolarHBondContact O-NH1 3.3Å
19	E	82.3	Confident	73.1	Confident	129 Å²	129	92.3 Å²	92.3	60%	0.603	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.2	177.1	-59.5	171.5	177.7	0	0	114.3	S17 A38 S39	S17-E19 PolarHBondContact O-N 3.37Å; E19-A38 CarbonylContact O-C 3.58Å; E19-A38 VanDerWaalsContact O-CA 3.27Å; E19-A38 WeakPolarHBondContact O-CA 3.07Å; E19-S39 WeakPolarHBondContact O-CB 3.46Å; E19-S39 PolarHBondContact O-N 3.42Å
20	M	88.7	Confident	75.4	Confident	87 Å²	87	84.9 Å²	84.9	43%	0.429	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153	179.3	-61.1	-155.6	-176.4	0	0	112.8	L16 S17 T36 L37	L16-M20 HydrophobicContact CD2-CB 4.4Å; S17-M20 PolarHBondContact O-N 3.39Å; M20-T36 HydrophobicContact CB-CG2 4.46Å; M20-T36 HydrophobicContact SD-CG2 4.09Å; M20-L37 CarbonylContact C-O 3.47Å; M20-L37 VanDerWaalsContact CA-O 3.24Å; M20-L37 WeakPolarHBondContact CA-O 3.41Å
21	Y	90.2	Very high	77.8	Confident	14 Å²	14	76.7 Å²	76.7	6%	0.055	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157	176.1	64.6	-75.7	0	0	0	110.6	V23 L37 A38 R83 L94	Y21-V23 HydrophobicContact CD2-CG2 3.65Å; Y21-V23 HydrophobicContact CE2-CG2 3.28Å; Y21-L37 WeakPolarHBondContact CD1-O 3.47Å; Y21-L37 HydrophobicContact CE1-CB 3.99Å; Y21-L37 HydrophobicContact CE2-CB 4.41Å; Y21-L37 HydrophobicContact CE2-CD1 4.43Å; Y21-L37 PolarHBondContact N-O 2.9Å; Y21-L37 PolarHBondContact O-N 3.23Å; Y21-A38 VanDerWaalsContact CE1-O 3.24Å; Y21-A38 WeakPolarHBondContact CE1-O 3.41Å; Y21-R83 HydrophobicContact CE1-CB 3.94Å; Y21-R83 HydrophobicContact CE1-CG 4.45Å; Y21-R83 HydrophobicContact CE2-CB 4.34Å; Y21-R83 PolarHBondContact OH-N 3.31Å; Y21-L94 HydrophobicContact CD2-CD1 4.27Å; Y21-L94 HydrophobicContact CE2-CD1 3.81Å
22	I	91.6	Very high	80.1	Confident	64 Å²	64	76.2 Å²	76.2	33%	0.328	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.8	178.6	-62.3	172.6	0	0	0	109.2	L16 Q34 C35	L16-I22 HydrophobicContact CD1-CD1 3.73Å; L16-I22 HydrophobicContact CD1-CG1 3.78Å; I22-Q34 HydrophobicContact CG2-CB 4.25Å; I22-Q34 HydrophobicContact CG2-CG 4.45Å; I22-C35 CarbonylContact C-O 3.54Å; I22-C35 WeakPolarHBondContact CA-O 3.32Å
23	V	94.6	Very high	82.5	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	172.9	-177.8	0	0	0	0	108.9	Y21 V25 Q34 C35 L37 L82 L94 L96	Y21-V23 HydrophobicContact CD2-CG2 3.65Å; Y21-V23 HydrophobicContact CE2-CG2 3.28Å; V23-V25 HydrophobicContact CG1-CG2 4.19Å; V23-Q34 WeakPolarHBondContact O-CA 3.23Å; V23-C35 HydrophobicContact CB-CB 4.41Å; V23-C35 PolarHBondContact N-O 3.05Å; V23-C35 PolarHBondContact O-N 3.19Å; V23-L37 HydrophobicContact CB-CD1 4.41Å; V23-L37 HydrophobicContact CG2-CD1 3.77Å; V23-L37 HydrophobicContact CG2-CG 4.5Å; V23-L82 HydrophobicContact CG1-CD2 4.5Å; V23-L82 HydrophobicContact CG2-CD2 4.01Å; V23-L94 HydrophobicContact CG1-CB 4.15Å; V23-L94 HydrophobicContact CG2-CB 4.24Å; V23-L94 HydrophobicContact CG2-CD1 4.34Å; V23-L96 HydrophobicContact CG1-CB 4.48Å; V23-L96 HydrophobicContact CG1-CD1 3.63Å; V23-L96 HydrophobicContact CG1-CG 3.69Å
24	S	96.5	Very high	85.1	Confident	21 Å²	21	73 Å²	73	15%	0.147	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.8	172.3	-60.5	0	0	0	0	109.4	L94 R95 L96	S24-L94 PolarHBondContact N-O 2.91Å; S24-R95 CarbonylContact O-C 3.48Å; S24-R95 WeakPolarHBondContact O-CA 3.04Å; S24-L96 PolarHBondContact O-N 3.45Å
25	V	97.9	Very high	87.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115	178.7	-174.3	0	0	0	0	108.7	V23 L27 V32 L33 V50 L64 L96 F98	V23-V25 HydrophobicContact CG1-CG2 4.19Å; V25-L27 HydrophobicContact CG1-CD2 4.22Å; V25-V32 CarbonylContact O-C 3.6Å; V25-V32 WeakPolarHBondContact O-CA 3.33Å; V25-L33 PolarHBondContact N-O 3.23Å; V25-L33 PolarHBondContact O-N 3.32Å; V25-V50 HydrophobicContact CB-CG2 4.2Å; V25-V50 HydrophobicContact CG1-CG2 4.01Å; V25-V50 HydrophobicContact CG2-CG2 3.99Å; V25-L64 HydrophobicContact CG1-CD2 3.87Å; V25-L96 CarbonylContact C-O 3.53Å; V25-L96 WeakPolarHBondContact CA-O 3.42Å; V25-L96 HydrophobicContact CG2-CB 4.31Å; V25-F98 HydrophobicContact CG1-CB 3.99Å
26	Q	97.9	Very high	89.6	Confident	69 Å²	69	60.2 Å²	60.2	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.4	172.7	-176.7	171.8	-13.5	0	0	109.8	L96 F97 F98	Q26-L96 PolarHBondContact N-O 3.18Å; Q26-F97 HydrophobicContact CB-CD1 3.86Å; Q26-F97 HydrophobicContact CB-CE1 4.29Å; Q26-F97 HydrophobicContact CB-CG 4.5Å; Q26-F97 HydrophobicContact CG-CD1 4.21Å; Q26-F97 CarbonylContact O-C 3.58Å; Q26-F97 WeakPolarHBondContact O-CA 3.28Å; Q26-F98 PolarHBondContact O-N 3.41Å
27	L	97.9	Very high	91.4	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.058	31%	0.305	C	S	.	.			trans	-90.9	168.6	-178.9	-58.8	-176	0	0	0	111.4	V25 D29 G30 S31 L33 V50 L54 F98 Y118	V25-L27 HydrophobicContact CG1-CD2 4.22Å; L27-D29 VanDerWaalsContact C-N 3.28Å; L27-D29 VanDerWaalsContact CB-OD1 3.29Å; L27-D29 WeakPolarHBondContact CB-OD1 3.3Å; L27-D29 PolarHBondContact O-N 2.8Å; L27-G30 PolarHBondContact O-N 2.99Å; L27-S31 VanDerWaalsContact CD1-OG 3.29Å; L27-S31 WeakPolarHBondContact CD1-OG 3.34Å; L27-S31 PolarHBondContact N-O 3.21Å; L27-L33 HydrophobicContact CD1-CB 4.46Å; L27-V50 HydrophobicContact CD2-CG1 3.81Å; L27-L54 HydrophobicContact CD1-CD1 4.26Å; L27-L54 HydrophobicContact CD1-CD2 3.81Å; L27-L54 HydrophobicContact CD1-CG 4.44Å; L27-L54 HydrophobicContact CD2-CD1 4.21Å; L27-F98 HydrophobicContact CD2-CB 3.7Å; L27-F98 HydrophobicContact CD2-CD1 4.19Å; L27-F98 HydrophobicContact CD2-CG 4.03Å; L27-Y118 HydrophobicContact CB-CE1 4.42Å
28	L	96.7	Very high	93	Very high	31 Å²	31	54.7 Å²	54.7	16%	0.162	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.3	-178.2	-69.3	175	0	0	0	113.3	G30 Y118 L121 Q122	L28-G30 PolarHBondContact O-N 3.36Å; L28-Y118 HydrophobicContact CB-CD1 3.93Å; L28-Y118 HydrophobicContact CB-CE1 4.23Å; L28-Y118 HydrophobicContact CD1-CD1 4.02Å; L28-Y118 VanDerWaalsContact CD1-O 3.31Å; L28-Y118 WeakPolarHBondContact CD1-O 3.46Å; L28-Y118 HydrophobicContact CG-CD1 4.29Å; L28-L121 HydrophobicContact CB-CB 3.86Å; L28-L121 HydrophobicContact CB-CD1 4.15Å; L28-Q122 HydrophobicContact CD1-CB 3.83Å
29	D	95.1	Very high	94	Very high	75 Å²	75	47 Å²	47	40%	0.401	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	0.7	173.1	66	-2.9	0	0	0	112.8	L27 S31 L121	L27-D29 VanDerWaalsContact C-N 3.28Å; L27-D29 VanDerWaalsContact CB-OD1 3.29Å; L27-D29 WeakPolarHBondContact CB-OD1 3.3Å; L27-D29 PolarHBondContact O-N 2.8Å; D29-S31 VanDerWaalsContact C-N 3.31Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.26Å; D29-S31 PolarHBondContact OD2-OG 3.04Å; D29-L121 HydrophobicContact CB-CD1 3.88Å
30	G	94.3	Very high	94.5	Very high	49 Å²	49	46.7 Å²	46.7	51%	0.505	27%	0.265	S	S	.	.	S	Bend	trans	86.5	-8.1	-177.9	0	0	0	0	0	114.7	L27 L28	L27-G30 PolarHBondContact O-N 2.99Å; L28-G30 PolarHBondContact O-N 3.36Å
31	S	96.4	Very high	94.8	Very high	50 Å²	50	43.4 Å²	43.4	35%	0.35	25%	0.251	S	S	.	.			trans	-70.5	161.1	175.1	72.5	0	0	0	0	111.7	L27 D29	L27-S31 VanDerWaalsContact CD1-OG 3.29Å; L27-S31 WeakPolarHBondContact CD1-OG 3.34Å; L27-S31 PolarHBondContact N-O 3.21Å; D29-S31 VanDerWaalsContact C-N 3.31Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 3.46Å; D29-S31 PolarHBondContact OD1-OG 3.26Å; D29-S31 PolarHBondContact OD2-OG 3.04Å
32	V	97.2	Very high	95.2	Very high	91 Å²	91	44.6 Å²	44.6	55%	0.552	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.2	-179.6	-177.5	0	0	0	0	109.8	V25	V25-V32 CarbonylContact O-C 3.6Å; V25-V32 WeakPolarHBondContact O-CA 3.33Å
33	L	96.7	Very high	95.4	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.3	175.4	-174.5	67.2	0	0	0	110.6	V25 L27 Y49 V50 R53	V25-L33 PolarHBondContact N-O 3.23Å; V25-L33 PolarHBondContact O-N 3.32Å; L27-L33 HydrophobicContact CD1-CB 4.46Å; L33-Y49 HydrophobicContact CD1-CE1 4.44Å; L33-Y49 HydrophobicContact CD2-CD1 4.14Å; L33-Y49 HydrophobicContact CD2-CE1 3.93Å; L33-Y49 HydrophobicContact CG-CE1 4.14Å; L33-V50 HydrophobicContact CD2-CB 4.24Å; L33-V50 HydrophobicContact CD2-CG1 4.35Å; L33-V50 HydrophobicContact CD2-CG2 3.98Å; L33-R53 HydrophobicContact CD1-CB 4.37Å; L33-R53 HydrophobicContact CD1-CG 4.3Å; L33-R53 HydrophobicContact CD2-CB 3.83Å; L33-R53 HydrophobicContact CD2-CG 4.03Å
34	Q	95.8	Very high	95.6	Very high	127 Å²	127	44.5 Å²	44.5	59%	0.593	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.1	172.7	-68.1	-175.1	-20.2	0	0	110.9	I22 V23	I22-Q34 HydrophobicContact CG2-CB 4.25Å; I22-Q34 HydrophobicContact CG2-CG 4.45Å; V23-Q34 WeakPolarHBondContact O-CA 3.23Å
35	C	94.5	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.8	179.4	-50	0	0	0	0	108.6	I22 V23 L37 Y49	I22-C35 CarbonylContact C-O 3.54Å; I22-C35 WeakPolarHBondContact CA-O 3.32Å; V23-C35 HydrophobicContact CB-CB 4.41Å; V23-C35 PolarHBondContact N-O 3.05Å; V23-C35 PolarHBondContact O-N 3.19Å; C35-L37 HydrophobicContact CB-CD2 4.44Å; C35-L37 HydrophobicContact CB-CG 4.3Å; C35-Y49 HydrophobicContact CB-CD1 3.9Å; C35-Y49 HydrophobicContact CB-CE1 4.07Å; C35-Y49 WeakPolarHBondContact SG-CD1 3.45Å
36	T	93.4	Very high	95.6	Very high	80 Å²	80	46.7 Å²	46.7	49%	0.491	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.4	170.5	-57.5	0	0	0	0	108.1	L16 M20	L16-T36 HydrophobicContact CD2-CG2 4.23Å; M20-T36 HydrophobicContact CB-CG2 4.46Å; M20-T36 HydrophobicContact SD-CG2 4.09Å
37	L	93.7	Very high	95.6	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.4	-173.8	-60.9	177.9	0	0	0	110.9	M20 Y21 V23 C35 V45 C46 L82	M20-L37 CarbonylContact C-O 3.47Å; M20-L37 VanDerWaalsContact CA-O 3.24Å; M20-L37 WeakPolarHBondContact CA-O 3.41Å; Y21-L37 WeakPolarHBondContact CD1-O 3.47Å; Y21-L37 HydrophobicContact CE1-CB 3.99Å; Y21-L37 HydrophobicContact CE2-CB 4.41Å; Y21-L37 HydrophobicContact CE2-CD1 4.43Å; Y21-L37 PolarHBondContact N-O 2.9Å; Y21-L37 PolarHBondContact O-N 3.23Å; V23-L37 HydrophobicContact CB-CD1 4.41Å; V23-L37 HydrophobicContact CG2-CD1 3.77Å; V23-L37 HydrophobicContact CG2-CG 4.5Å; C35-L37 HydrophobicContact CB-CD2 4.44Å; C35-L37 HydrophobicContact CB-CG 4.3Å; L37-V45 HydrophobicContact CD2-CG1 4.29Å; L37-C46 HydrophobicContact CD1-CB 3.69Å; L37-C46 HydrophobicContact CD2-CB 4.38Å; L37-L82 HydrophobicContact CD1-CD2 3.62Å
38	A	93.6	Very high	95.6	Very high	19 Å²	19	46.6 Å²	46.6	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	156.2	169.5	0	0	0	0	0	110.5	E19 Y21 E40 S41	E19-A38 CarbonylContact O-C 3.58Å; E19-A38 VanDerWaalsContact O-CA 3.27Å; E19-A38 WeakPolarHBondContact O-CA 3.07Å; Y21-A38 VanDerWaalsContact CE1-O 3.24Å; Y21-A38 WeakPolarHBondContact CE1-O 3.41Å; A38-E40 VanDerWaalsContact CB-OE1 3.29Å; A38-E40 WeakPolarHBondContact CB-OE1 3.44Å; A38-E40 PolarHBondContact O-N 3.02Å; A38-E40 VanDerWaalsContact O-N 3.09Å; A38-S41 PolarHBondContact N-OG 2.9Å; A38-S41 WeakPolarHBondContact O-CB 3.43Å; A38-S41 PolarHBondContact O-N 2.89Å; A38-S41 PolarHBondContact O-OG 3.08Å; A38-S41 VanDerWaalsContact O-OG 3.12Å
39	S	89.9	Confident	95.6	Very high	42 Å²	42	48.8 Å²	48.8	29%	0.294	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.4	-172.9	66.3	0	0	0	0	114	E19	E19-S39 WeakPolarHBondContact O-CB 3.46Å; E19-S39 PolarHBondContact O-N 3.42Å
40	E	91.6	Very high	95.8	Very high	123 Å²	123	45.2 Å²	45.2	58%	0.575	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.5	179.3	69.3	-76.4	180	0	0	113.5	A38 T42	A38-E40 VanDerWaalsContact CB-OE1 3.29Å; A38-E40 WeakPolarHBondContact CB-OE1 3.44Å; A38-E40 PolarHBondContact O-N 3.02Å; A38-E40 VanDerWaalsContact O-N 3.09Å; E40-T42 PolarHBondContact O-N 2.93Å
41	S	95.8	Very high	95.9	Very high	18 Å²	18	43.1 Å²	43.1	13%	0.126	24%	0.237	C	C	.	.			trans	-58.6	132.2	178.4	-60.6	0	0	0	0	110.8	A38 L82	A38-S41 PolarHBondContact N-OG 2.9Å; A38-S41 WeakPolarHBondContact O-CB 3.43Å; A38-S41 PolarHBondContact O-N 2.89Å; A38-S41 PolarHBondContact O-OG 3.08Å; A38-S41 VanDerWaalsContact O-OG 3.12Å; S41-L82 PolarHBondContact O-N 3.39Å
42	T	97.4	Very high	95.9	Very high	38 Å²	38	47.1 Å²	47.1	23%	0.233	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-79.6	167.9	178.2	63.6	0	0	0	0	111.4	E40 Q44 V45 C46 L78 K80	E40-T42 PolarHBondContact O-N 2.93Å; T42-Q44 PolarHBondContact O-N 3.11Å; T42-Q44 PolarHBondContact OG1-N 2.8Å; T42-V45 PolarHBondContact O-N 2.91Å; T42-V45 PolarHBondContact OG1-N 3.44Å; T42-C46 PolarHBondContact O-N 2.88Å; T42-L78 VanDerWaalsContact CB-O 3.31Å; T42-L78 WeakPolarHBondContact CB-O 3.46Å; T42-K80 VanDerWaalsContact CA-O 3.3Å; T42-K80 WeakPolarHBondContact CA-O 3.39Å
43	G	96.7	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-34	170.7	0	0	0	0	0	112.1	C46 L47 L78 K80	G43-C46 WeakPolarHBondContact O-CB 3.37Å; G43-C46 PolarHBondContact O-N 3.41Å; G43-L47 PolarHBondContact O-N 2.93Å; G43-L78 PolarHBondContact N-O 3.46Å; G43-K80 PolarHBondContact N-O 3.18Å; G43-K80 VanDerWaalsContact N-O 3.13Å
44	Q	97.8	Very high	95.9	Very high	63 Å²	63	50.5 Å²	50.5	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-46	176.7	-170.5	61.3	48.8	0	0	112.2	T42 C46 L47 D48 L78	T42-Q44 PolarHBondContact O-N 3.11Å; T42-Q44 PolarHBondContact OG1-N 2.8Å; Q44-C46 PolarHBondContact O-N 2.96Å; Q44-L47 PolarHBondContact O-N 3.32Å; Q44-L47 VanDerWaalsContact O-N 3.07Å; Q44-D48 PolarHBondContact NE2-OD1 3.4Å; Q44-D48 WeakPolarHBondContact O-CB 3.12Å; Q44-D48 PolarHBondContact O-N 2.95Å; Q44-L78 HydrophobicContact CB-CB 4.24Å; Q44-L78 PolarHBondContact N-O 2.81Å
45	V	97.6	Very high	95.9	Very high	67 Å²	67	49.7 Å²	49.7	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-38.7	178	176.3	0	0	0	0	111.4	L37 T42 Y49	L37-V45 HydrophobicContact CD2-CG1 4.29Å; T42-V45 PolarHBondContact O-N 2.91Å; T42-V45 PolarHBondContact OG1-N 3.44Å; V45-Y49 PolarHBondContact O-N 3.36Å; V45-Y49 VanDerWaalsContact O-N 3.09Å
46	C	97.7	Very high	96	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-44.9	175	-171.6	0	0	0	0	111.6	L37 T42 G43 Q44 Y49 V50 L64 L82	L37-C46 HydrophobicContact CD1-CB 3.69Å; L37-C46 HydrophobicContact CD2-CB 4.38Å; T42-C46 PolarHBondContact O-N 2.88Å; G43-C46 WeakPolarHBondContact O-CB 3.37Å; G43-C46 PolarHBondContact O-N 3.41Å; Q44-C46 PolarHBondContact O-N 2.96Å; C46-Y49 PolarHBondContact O-N 2.98Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.38Å; C46-V50 PolarHBondContact O-N 3.39Å; C46-L64 HydrophobicContact CB-CD1 3.84Å; C46-L82 HydrophobicContact CB-CD2 4.09Å
47	L	98.3	Very high	96	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-44.6	178.3	179.5	62.8	0	0	0	111.2	G43 Q44 Y49 V50 C51 F62 L64 L78 F98	G43-L47 PolarHBondContact O-N 2.93Å; Q44-L47 PolarHBondContact O-N 3.32Å; Q44-L47 VanDerWaalsContact O-N 3.07Å; L47-Y49 VanDerWaalsContact C-N 3.3Å; L47-Y49 PolarHBondContact O-N 2.98Å; L47-V50 WeakPolarHBondContact O-CB 3.49Å; L47-V50 PolarHBondContact O-N 2.87Å; L47-V50 VanDerWaalsContact O-N 3.11Å; L47-C51 PolarHBondContact O-N 2.98Å; L47-C51 PolarHBondContact O-SG 3.22Å; L47-C51 VanDerWaalsContact O-SG 3.39Å; L47-F62 HydrophobicContact CD1-CB 4.35Å; L47-F62 WeakPolarHBondContact CD2-O 3.35Å; L47-L64 HydrophobicContact CB-CD1 4.07Å; L47-L64 HydrophobicContact CB-CG 4.31Å; L47-L64 HydrophobicContact CD1-CD2 4.36Å; L47-L64 HydrophobicContact CD1-CG 4.21Å; L47-L78 HydrophobicContact CB-CD2 4.34Å; L47-L78 HydrophobicContact CD2-CD1 3.58Å; L47-L78 HydrophobicContact CD2-CD2 4.25Å; L47-F98 HydrophobicContact CD1-CD2 3.96Å; L47-F98 HydrophobicContact CD1-CE2 3.7Å
48	D	97.7	Very high	96.1	Very high	74 Å²	74	57.1 Å²	57.1	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-42.1	177.7	-66.5	-21.1	0	0	0	111.3	Q44 C51 L52	Q44-D48 PolarHBondContact NE2-OD1 3.4Å; Q44-D48 WeakPolarHBondContact O-CB 3.12Å; Q44-D48 PolarHBondContact O-N 2.95Å; D48-C51 PolarHBondContact O-N 3.13Å; D48-L52 WeakPolarHBondContact O-CB 3.47Å; D48-L52 PolarHBondContact O-N 3.24Å
49	Y	97.3	Very high	96.2	Very high	77 Å²	77	58 Å²	58	30%	0.302	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-44.6	174.2	177.4	-94	0	0	0	111.8	L33 C35 V45 C46 L47 L52 R53	L33-Y49 HydrophobicContact CD1-CE1 4.44Å; L33-Y49 HydrophobicContact CD2-CD1 4.14Å; L33-Y49 HydrophobicContact CD2-CE1 3.93Å; L33-Y49 HydrophobicContact CG-CE1 4.14Å; C35-Y49 HydrophobicContact CB-CD1 3.9Å; C35-Y49 HydrophobicContact CB-CE1 4.07Å; C35-Y49 WeakPolarHBondContact SG-CD1 3.45Å; V45-Y49 PolarHBondContact O-N 3.36Å; V45-Y49 VanDerWaalsContact O-N 3.09Å; C46-Y49 PolarHBondContact O-N 2.98Å; L47-Y49 VanDerWaalsContact C-N 3.3Å; L47-Y49 PolarHBondContact O-N 2.98Å; Y49-L52 PolarHBondContact O-N 2.95Å; Y49-R53 HydrophobicContact CD1-CG 4.23Å; Y49-R53 HydrophobicContact CD2-CG 4.49Å; Y49-R53 HydrophobicContact CE1-CG 3.86Å; Y49-R53 HydrophobicContact CE2-CG 4.12Å; Y49-R53 WeakPolarHBondContact O-CB 3.5Å; Y49-R53 VanDerWaalsContact O-CG 3.25Å; Y49-R53 WeakPolarHBondContact O-CG 3.48Å; Y49-R53 PolarHBondContact O-N 2.83Å; Y49-R53 PolarHBondContact OH-NH1 2.9Å
50	V	98.1	Very high	96.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-50.8	176.2	174.6	0	0	0	0	110.3	V25 L27 L33 C46 L47 L52 R53 L54 F98	V25-V50 HydrophobicContact CB-CG2 4.2Å; V25-V50 HydrophobicContact CG1-CG2 4.01Å; V25-V50 HydrophobicContact CG2-CG2 3.99Å; L27-V50 HydrophobicContact CD2-CG1 3.81Å; L33-V50 HydrophobicContact CD2-CB 4.24Å; L33-V50 HydrophobicContact CD2-CG1 4.35Å; L33-V50 HydrophobicContact CD2-CG2 3.98Å; C46-V50 VanDerWaalsContact O-CG2 3.28Å; C46-V50 WeakPolarHBondContact O-CG2 3.38Å; C46-V50 PolarHBondContact O-N 3.39Å; L47-V50 WeakPolarHBondContact O-CB 3.49Å; L47-V50 PolarHBondContact O-N 2.87Å; L47-V50 VanDerWaalsContact O-N 3.11Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 3.44Å; V50-R53 PolarHBondContact O-N 3.31Å; V50-L54 HydrophobicContact CG1-CD1 3.93Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 WeakPolarHBondContact O-CG 3.29Å; V50-L54 PolarHBondContact O-N 3.37Å; V50-F98 HydrophobicContact CG1-CD2 3.77Å; V50-F98 HydrophobicContact CG1-CE2 4.03Å; V50-F98 HydrophobicContact CG1-CG 4.23Å
51	C	97.4	Very high	96.7	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-40.3	-179.9	-68.8	0	0	0	0	112.5	L47 D48 L54 N55 L56 S59	L47-C51 PolarHBondContact O-N 2.98Å; L47-C51 PolarHBondContact O-SG 3.22Å; L47-C51 VanDerWaalsContact O-SG 3.39Å; D48-C51 PolarHBondContact O-N 3.13Å; C51-L54 CarbonylContact O-C 3.6Å; C51-L54 PolarHBondContact O-N 2.94Å; C51-N55 PolarHBondContact O-N 3.15Å; C51-L56 HydrophobicContact CB-CB 4.07Å; C51-L56 HydrophobicContact CB-CD1 4.48Å; C51-L56 PolarHBondContact O-N 3.2Å; C51-S59 WeakPolarHBondContact SG-CB 3.45Å
52	L	97	Very high	96.8	Very high	134 Å²	134	54.7 Å²	54.7	70%	0.702	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-45	174.8	-179.1	67	0	0	0	111.4	D48 Y49 V50 L54 N55	D48-L52 WeakPolarHBondContact O-CB 3.47Å; D48-L52 PolarHBondContact O-N 3.24Å; Y49-L52 PolarHBondContact O-N 2.95Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 3.44Å; L52-L54 PolarHBondContact O-N 3.49Å; L52-N55 PolarHBondContact O-N 3.12Å; L52-N55 VanDerWaalsContact O-N 3.1Å
53	R	97	Very high	96.8	Very high	149 Å²	149	52.9 Å²	52.9	56%	0.562	25%	0.252	S	S	*	.	H	α-helix	trans	-65.3	-29.2	178.5	-72.1	-60.8	-58.2	-96.5	-0.3	113	L33 Y49 V50	L33-R53 HydrophobicContact CD1-CB 4.37Å; L33-R53 HydrophobicContact CD1-CG 4.3Å; L33-R53 HydrophobicContact CD2-CB 3.83Å; L33-R53 HydrophobicContact CD2-CG 4.03Å; Y49-R53 HydrophobicContact CD1-CG 4.23Å; Y49-R53 HydrophobicContact CD2-CG 4.49Å; Y49-R53 HydrophobicContact CE1-CG 3.86Å; Y49-R53 HydrophobicContact CE2-CG 4.12Å; Y49-R53 WeakPolarHBondContact O-CB 3.5Å; Y49-R53 VanDerWaalsContact O-CG 3.25Å; Y49-R53 WeakPolarHBondContact O-CG 3.48Å; Y49-R53 PolarHBondContact O-N 2.83Å; Y49-R53 PolarHBondContact OH-NH1 2.9Å; V50-R53 PolarHBondContact O-N 3.31Å
54	L	96.4	Very high	96.9	Very high	34 Å²	34	53 Å²	53	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-87.2	-6.7	175.1	-65	179.9	0	0	0	113.6	L27 V50 C51 L52 L56 F98 V114 Y118	L27-L54 HydrophobicContact CD1-CD1 4.26Å; L27-L54 HydrophobicContact CD1-CD2 3.81Å; L27-L54 HydrophobicContact CD1-CG 4.44Å; L27-L54 HydrophobicContact CD2-CD1 4.21Å; V50-L54 HydrophobicContact CG1-CD1 3.93Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 WeakPolarHBondContact O-CG 3.29Å; V50-L54 PolarHBondContact O-N 3.37Å; C51-L54 CarbonylContact O-C 3.6Å; C51-L54 PolarHBondContact O-N 2.94Å; L52-L54 PolarHBondContact O-N 3.49Å; L54-L56 HydrophobicContact CB-CD1 3.9Å; L54-L56 HydrophobicContact CB-CG 3.82Å; L54-L56 HydrophobicContact CD1-CD1 3.71Å; L54-L56 HydrophobicContact CD1-CG 4.48Å; L54-L56 HydrophobicContact CG-CD1 4.46Å; L54-L56 PolarHBondContact O-N 2.96Å; L54-F98 HydrophobicContact CD1-CE1 4.22Å; L54-F98 HydrophobicContact CD1-CZ 4.38Å; L54-V114 WeakPolarHBondContact O-CG1 3.26Å; L54-Y118 HydrophobicContact CD1-CE1 4.03Å; L54-Y118 HydrophobicContact CD1-CE2 4.04Å; L54-Y118 HydrophobicContact CD2-CE2 4.32Å; L54-Y118 WeakPolarHBondContact CD2-OH 3.47Å
55	N	95.9	Very high	96.8	Very high	110 Å²	110	51.3 Å²	51.3	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	34	-171	-165.8	39.8	0	0	0	112.9	C51 L52 R57	C51-N55 PolarHBondContact O-N 3.15Å; L52-N55 PolarHBondContact O-N 3.12Å; L52-N55 VanDerWaalsContact O-N 3.1Å; N55-R57 PolarHBondContact O-N 3.32Å
56	L	95.7	Very high	96.7	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	23%	0.228	C	C	.	.			trans	-75.2	118.5	178	-81.3	168.9	0	0	0	110.6	C51 L54 F62 F98 V114 Y118	C51-L56 HydrophobicContact CB-CB 4.07Å; C51-L56 HydrophobicContact CB-CD1 4.48Å; C51-L56 PolarHBondContact O-N 3.2Å; L54-L56 HydrophobicContact CB-CD1 3.9Å; L54-L56 HydrophobicContact CB-CG 3.82Å; L54-L56 HydrophobicContact CD1-CD1 3.71Å; L54-L56 HydrophobicContact CD1-CG 4.48Å; L54-L56 HydrophobicContact CG-CD1 4.46Å; L54-L56 PolarHBondContact O-N 2.96Å; L56-F62 HydrophobicContact CD1-CD2 4.29Å; L56-F62 HydrophobicContact CD1-CE2 4.14Å; L56-F62 HydrophobicContact CD2-CE2 3.89Å; L56-F62 HydrophobicContact CD2-CZ 4.15Å; L56-F98 HydrophobicContact CD1-CE1 4.12Å; L56-F98 HydrophobicContact CD1-CE2 4.38Å; L56-F98 HydrophobicContact CD1-CZ 3.5Å; L56-F98 VanDerWaalsContact CD1-CZ 3.5Å; L56-V114 HydrophobicContact CD2-CB 3.86Å; L56-V114 HydrophobicContact CD2-CG1 3.5Å; L56-V114 VanDerWaalsContact CD2-CG1 3.5Å; L56-V114 HydrophobicContact CG-CG1 3.88Å; L56-Y118 HydrophobicContact CD2-CD2 4.38Å
57	R	94.2	Very high	96.4	Very high	194 Å²	194	53.2 Å²	53.2	73%	0.732	25%	0.248	S	C	*	.	S	Bend	trans	-84.9	-36.7	179.9	-63.2	178	175.7	165	1.1	112.8	N55 S59 D112	N55-R57 PolarHBondContact O-N 3.32Å; R57-S59 PolarHBondContact O-N 2.97Å; R57-D112 HydrophobicContact CB-CB 4.1Å; R57-D112 PolarHBondContact N-OD2 3.39Å; R57-D112 VanDerWaalsContact N-OD2 3.11Å
58	Q	95.4	Very high	95.9	Very high	35 Å²	35	53.9 Å²	53.9	16%	0.164	25%	0.252	C	S	.	.			trans	-100.3	61.7	178.5	-61.2	-178.7	-85.1	0	0	110.5	I60 F61 T109 T111 D112 T115	Q58-I60 PolarHBondContact O-N 2.91Å; Q58-I60 VanDerWaalsContact O-N 3.12Å; Q58-F61 HydrophobicContact CB-CD2 4.09Å; Q58-F61 HydrophobicContact CB-CE2 4.09Å; Q58-T109 PolarHBondContact NE2-O 3.34Å; Q58-T111 PolarHBondContact OE1-OG1 3.43Å; Q58-D112 HydrophobicContact CB-CB 4.5Å; Q58-D112 HydrophobicContact CG-CB 4Å; Q58-T115 HydrophobicContact CB-CG2 4.03Å
59	S	95	Very high	95.3	Very high	36 Å²	36	55.5 Å²	55.5	25%	0.252	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-61.9	-19.5	-179.3	58.4	0	0	0	0	113.9	C51 R57 F61 F62	C51-S59 WeakPolarHBondContact SG-CB 3.45Å; R57-S59 PolarHBondContact O-N 2.97Å; S59-F61 PolarHBondContact O-N 3.24Å; S59-F62 PolarHBondContact O-N 3.42Å; S59-F62 VanDerWaalsContact O-N 3.08Å
60	I	95	Very high	94.6	Very high	101 Å²	101	57.9 Å²	57.9	52%	0.518	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.5	-175	62	169.3	0	0	0	114.3	Q58 F62 Y102 F301	Q58-I60 PolarHBondContact O-N 2.91Å; Q58-I60 VanDerWaalsContact O-N 3.12Å; I60-F62 VanDerWaalsContact C-N 3.31Å; I60-Y102 WeakPolarHBondContact O-CD2 3.47Å; I60-Y102 VanDerWaalsContact O-CE2 3.3Å; I60-Y102 WeakPolarHBondContact O-CE2 3.29Å; I60-F301 HydrophobicContact CD1-CE2 4.39Å
61	F	97	Very high	94.1	Very high	10 Å²	10	64 Å²	64	4%	0.044	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-81.2	-11.2	-176.8	-64.5	-65.9	0	0	0	113.9	Q58 S59 V100 I101 Y102 T115 F119 F301	Q58-F61 HydrophobicContact CB-CD2 4.09Å; Q58-F61 HydrophobicContact CB-CE2 4.09Å; S59-F61 PolarHBondContact O-N 3.24Å; F61-V100 WeakPolarHBondContact O-CA 3.34Å; F61-I101 PolarHBondContact O-N 3.39Å; F61-Y102 PolarHBondContact O-N 3.27Å; F61-T115 HydrophobicContact CD2-CG2 4.02Å; F61-F119 HydrophobicContact CB-CE2 3.48Å; F61-F119 VanDerWaalsContact CB-CE2 3.48Å; F61-F119 HydrophobicContact CB-CZ 3.67Å; F61-F119 HydrophobicContact CD1-CE2 4.32Å; F61-F119 AromaticContact CD1-CZ 3.91Å; F61-F119 HydrophobicContact CD1-CZ 3.91Å; F61-F119 AromaticContact CD2-CE2 3.81Å; F61-F119 HydrophobicContact CD2-CE2 3.81Å; F61-F119 HydrophobicContact CD2-CZ 4.21Å; F61-F119 AromaticContact CG-CE2 3.62Å; F61-F119 HydrophobicContact CG-CE2 3.62Å; F61-F119 AromaticContact CG-CZ 3.68Å; F61-F119 HydrophobicContact CG-CZ 3.68Å; F61-F301 HydrophobicContact CD1-CZ 4.11Å; F61-F301 AromaticContact CE1-CZ 3.94Å; F61-F301 HydrophobicContact CE1-CZ 3.94Å
62	F	98.2	Very high	93.7	Very high	3 Å²	3	67.6 Å²	67.6	1%	0.013	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	155.7	-169.1	-59.8	-80.9	0	0	0	112.3	L47 L56 S59 I60 F98 G99 V100 T115 F119	L47-F62 HydrophobicContact CD1-CB 4.35Å; L47-F62 WeakPolarHBondContact CD2-O 3.35Å; L56-F62 HydrophobicContact CD1-CD2 4.29Å; L56-F62 HydrophobicContact CD1-CE2 4.14Å; L56-F62 HydrophobicContact CD2-CE2 3.89Å; L56-F62 HydrophobicContact CD2-CZ 4.15Å; S59-F62 PolarHBondContact O-N 3.42Å; S59-F62 VanDerWaalsContact O-N 3.08Å; I60-F62 VanDerWaalsContact C-N 3.31Å; F62-F98 HydrophobicContact CB-CD2 4.39Å; F62-F98 HydrophobicContact CB-CE1 4.49Å; F62-F98 HydrophobicContact CB-CE2 3.45Å; F62-F98 VanDerWaalsContact CB-CE2 3.45Å; F62-F98 HydrophobicContact CB-CZ 3.51Å; F62-F98 HydrophobicContact CD1-CD1 4.43Å; F62-F98 AromaticContact CD1-CE1 3.47Å; F62-F98 HydrophobicContact CD1-CE1 3.47Å; F62-F98 VanDerWaalsContact CD1-CE1 3.47Å; F62-F98 HydrophobicContact CD1-CE2 4.02Å; F62-F98 AromaticContact CD1-CZ 3.21Å; F62-F98 HydrophobicContact CD1-CZ 3.21Å; F62-F98 AromaticContact CD2-CZ 3.94Å; F62-F98 HydrophobicContact CD2-CZ 3.94Å; F62-F98 AromaticContact CE1-CE1 3.81Å; F62-F98 HydrophobicContact CE1-CE1 3.81Å; F62-F98 AromaticContact CE1-CZ 3.85Å; F62-F98 HydrophobicContact CE1-CZ 3.85Å; F62-F98 HydrophobicContact CE2-CZ 4.47Å; F62-F98 HydrophobicContact CG-CE1 4.03Å; F62-F98 AromaticContact CG-CE2 3.8Å; F62-F98 HydrophobicContact CG-CE2 3.8Å; F62-F98 AromaticContact CG-CZ 3.26Å; F62-F98 HydrophobicContact CG-CZ 3.26Å; F62-F98 HydrophobicContact CZ-CZ 4.43Å; F62-G99 CarbonylContact C-O 3.38Å; F62-G99 VanDerWaalsContact CA-O 3.32Å; F62-G99 WeakPolarHBondContact CA-O 3.16Å; F62-V100 HydrophobicContact CD1-CG2 4.04Å; F62-V100 HydrophobicContact CE1-CG2 3.73Å; F62-T115 HydrophobicContact CE2-CG2 3.82Å; F62-T115 HydrophobicContact CZ-CG2 3.97Å; F62-F119 HydrophobicContact CZ-CD2 4.22Å; F62-F119 HydrophobicContact CZ-CE2 4.41Å
63	G	97.9	Very high	93.5	Very high	1 Å²	1	65 Å²	65	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	179.6	174.3	0	0	0	0	0	111.6	G99	G63-G99 PolarHBondContact N-O 2.96Å; G63-G99 PolarHBondContact O-N 3.41Å
64	L	98.4	Very high	93.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.5	172.3	-62.3	172.4	0	0	0	108.5	V25 C46 L47 I76 L96 F97 F98	V25-L64 HydrophobicContact CG1-CD2 3.87Å; C46-L64 HydrophobicContact CB-CD1 3.84Å; L47-L64 HydrophobicContact CB-CD1 4.07Å; L47-L64 HydrophobicContact CB-CG 4.31Å; L47-L64 HydrophobicContact CD1-CD2 4.36Å; L47-L64 HydrophobicContact CD1-CG 4.21Å; L64-I76 HydrophobicContact CB-CB 4.24Å; L64-I76 HydrophobicContact CB-CG1 4.06Å; L64-I76 WeakPolarHBondContact O-CB 3.36Å; L64-I76 WeakPolarHBondContact O-CG1 3.25Å; L64-I76 PolarHBondContact O-N 2.89Å; L64-L96 HydrophobicContact CB-CD1 4.4Å; L64-L96 HydrophobicContact CD1-CD1 4.02Å; L64-F97 CarbonylContact C-O 3.55Å; L64-F97 WeakPolarHBondContact CA-O 3.38Å; L64-F98 HydrophobicContact CD2-CB 4.46Å; L64-F98 HydrophobicContact CD2-CD2 4.3Å
65	R	96.5	Very high	93.5	Very high	28 Å²	28	59 Å²	59	11%	0.106	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.5	172.5	65.1	-171.2	176.7	174.5	0.6	110.5	Y73 R74 W75 L96 F97	R65-Y73 HydrophobicContact CG-CD1 4.21Å; R65-R74 CarbonylContact C-O 3.45Å; R65-R74 WeakPolarHBondContact CA-O 3.38Å; R65-R74 WeakPolarHBondContact CB-O 3.48Å; R65-W75 HydrophobicContact CB-CD2 4.37Å; R65-W75 HydrophobicContact CB-CE3 4.06Å; R65-W75 HydrophobicContact CB-CZ3 4.4Å; R65-L96 CarbonylContact O-C 3.59Å; R65-L96 WeakPolarHBondContact O-CA 3.24Å; R65-F97 HydrophobicContact CG-CB 3.62Å; R65-F97 HydrophobicContact CG-CD2 4.47Å; R65-F97 HydrophobicContact CG-CG 4.41Å; R65-F97 WeakPolarHBondContact CG-O 3.45Å; R65-F97 PolarHBondContact N-O 3.23Å; R65-F97 PolarHBondContact O-N 3.46Å
66	C	94.6	Very high	93.6	Very high	14 Å²	14	54.1 Å²	54.1	10%	0.095	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	156.5	169.6	64.1	0	0	0	0	110.3	Y73 R74 I76 F86 L96	C66-Y73 CarbonylContact O-C 3.53Å; C66-Y73 VanDerWaalsContact O-CA 3.29Å; C66-Y73 WeakPolarHBondContact O-CA 3.29Å; C66-R74 PolarHBondContact N-O 3Å; C66-R74 PolarHBondContact O-N 3.29Å; C66-I76 HydrophobicContact CB-CD1 3.94Å; C66-F86 HydrophobicContact CB-CE1 3.61Å; C66-F86 HydrophobicContact CB-CZ 3.78Å; C66-L96 HydrophobicContact CB-CD2 3.91Å
67	K	92	Very high	93.6	Very high	93 Å²	93	56 Å²	56	40%	0.404	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.9	169.9	-165.4	178.7	-168.8	-171.8	0	107.9	M71 Y73 F97	K67-M71 HydrophobicContact CD-SD 4.05Å; K67-M71 WeakPolarHBondContact CE-SD 3.45Å; K67-M71 PolarHBondContact NZ-SD 3.38Å; K67-Y73 HydrophobicContact CB-CD1 4.25Å; K67-Y73 HydrophobicContact CB-CE1 4.04Å; K67-Y73 HydrophobicContact CG-CE1 4.32Å; K67-F97 HydrophobicContact CB-CE2 4.17Å
68	T	87.2	Confident	93.7	Very high	18 Å²	18	48.4 Å²	48.4	11%	0.11	23%	0.233	C	C	.	.			trans	-72.6	166	178.4	61.8	0	0	0	0	111.4	R70 M71 V72 R74	T68-R70 PolarHBondContact O-N 3.21Å; T68-M71 WeakPolarHBondContact O-CA 3.25Å; T68-M71 PolarHBondContact O-N 3.24Å; T68-V72 WeakPolarHBondContact CB-O 3.44Å; T68-V72 WeakPolarHBondContact CG2-O 3.3Å; T68-V72 PolarHBondContact N-O 3.04Å; T68-V72 PolarHBondContact OG1-N 3.48Å; T68-V72 PolarHBondContact OG1-O 2.88Å; T68-R74 HydrophobicContact CG2-CB 4.17Å; T68-R74 HydrophobicContact CG2-CG 3.78Å
69	N	84.4	Confident	93.7	Very high	109 Å²	109	53.6 Å²	53.6	58%	0.583	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27	170.9	60.9	-2.7	0	0	0	113.6	M71	N69-M71 PolarHBondContact O-N 3.14Å
70	R	84.4	Confident	93.8	Very high	127 Å²	127	55.8 Å²	55.8	48%	0.479	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	10.5	172.8	-61.7	-170.5	-173.8	172.1	9.2	113.8	T68 V72 D284	T68-R70 PolarHBondContact O-N 3.21Å; R70-V72 HydrophobicContact CB-CG2 4.45Å; R70-V72 PolarHBondContact O-N 2.93Å; R70-D284 IonicContact CZ-OD2 2.87Å; R70-D284 IonicContact NH1-OD2 3.01Å; R70-D284 PolarHBondContact NH1-OD2 3.33Å; R70-D284 IonicContact NH2-OD2 3.89Å
71	M	85.7	Confident	93.7	Very high	128 Å²	128	52.8 Å²	52.8	63%	0.631	25%	0.254	S	S	*	.	S	Bend	trans	61.7	18.7	-178.1	-58.6	-68.3	165.4	0	0	114.8	K67 T68 N69	K67-M71 HydrophobicContact CD-SD 4.05Å; K67-M71 WeakPolarHBondContact CE-SD 3.45Å; K67-M71 PolarHBondContact NZ-SD 3.38Å; T68-M71 WeakPolarHBondContact O-CA 3.25Å; T68-M71 PolarHBondContact O-N 3.24Å; N69-M71 PolarHBondContact O-N 3.14Å
72	V	90	Very high	93.6	Very high	81 Å²	81	52.3 Å²	52.3	49%	0.491	25%	0.252	S	S	.	.			trans	-98.7	137.7	176.4	179.5	0	0	0	0	109.5	T68 R70	T68-V72 WeakPolarHBondContact CB-O 3.44Å; T68-V72 WeakPolarHBondContact CG2-O 3.3Å; T68-V72 PolarHBondContact N-O 3.04Å; T68-V72 PolarHBondContact OG1-N 3.48Å; T68-V72 PolarHBondContact OG1-O 2.88Å; R70-V72 HydrophobicContact CB-CG2 4.45Å; R70-V72 PolarHBondContact O-N 2.93Å
73	Y	93.3	Very high	93.3	Very high	80 Å²	80	54.9 Å²	54.9	31%	0.314	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	173	-69.5	-80.7	0	0	0	110.7	R65 C66 K67 F97	R65-Y73 HydrophobicContact CG-CD1 4.21Å; C66-Y73 CarbonylContact O-C 3.53Å; C66-Y73 VanDerWaalsContact O-CA 3.29Å; C66-Y73 WeakPolarHBondContact O-CA 3.29Å; K67-Y73 HydrophobicContact CB-CD1 4.25Å; K67-Y73 HydrophobicContact CB-CE1 4.04Å; K67-Y73 HydrophobicContact CG-CE1 4.32Å; Y73-F97 HydrophobicContact CD1-CD2 4.17Å; Y73-F97 HydrophobicContact CD1-CE2 4.35Å; Y73-F97 HydrophobicContact CE1-CD1 4.26Å; Y73-F97 AromaticContact CE1-CD2 3.73Å; Y73-F97 HydrophobicContact CE1-CD2 3.73Å; Y73-F97 HydrophobicContact CE1-CE1 4.11Å; Y73-F97 AromaticContact CE1-CE2 3.62Å; Y73-F97 HydrophobicContact CE1-CE2 3.62Å; Y73-F97 HydrophobicContact CE1-CG 4.08Å; Y73-F97 AromaticContact CE1-CZ 3.82Å; Y73-F97 HydrophobicContact CE1-CZ 3.82Å
74	R	95.3	Very high	93	Very high	29 Å²	29	62.8 Å²	62.8	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.1	173.6	-71	-170.2	-176.4	148.4	-7.8	111.1	R65 C66 T68 E286 Y290	R65-R74 CarbonylContact C-O 3.45Å; R65-R74 WeakPolarHBondContact CA-O 3.38Å; R65-R74 WeakPolarHBondContact CB-O 3.48Å; C66-R74 PolarHBondContact N-O 3Å; C66-R74 PolarHBondContact O-N 3.29Å; T68-R74 HydrophobicContact CG2-CB 4.17Å; T68-R74 HydrophobicContact CG2-CG 3.78Å; R74-E286 IonicContact CZ-OE1 3.77Å; R74-E286 IonicContact CZ-OE2 2.65Å; R74-E286 IonicContact NH1-OE1 3.79Å; R74-E286 PolarHBondContact NH1-OE1 3.19Å; R74-E286 IonicContact NH1-OE2 3.93Å; R74-E286 PolarHBondContact NH1-OE2 2.9Å; R74-E286 VanDerWaalsContact NH2-CD 3.32Å; R74-E286 IonicContact NH2-OE1 2.77Å; R74-E286 IonicContact NH2-OE2 2.76Å; R74-E286 PolarHBondContact NH2-OE2 2.86Å; R74-Y290 WeakPolarHBondContact CA-OH 3.38Å; R74-Y290 HydrophobicContact CB-CD2 4.24Å; R74-Y290 HydrophobicContact CB-CE2 3.68Å; R74-Y290 HydrophobicContact CG-CD1 4.34Å; R74-Y290 HydrophobicContact CG-CD2 4.19Å; R74-Y290 HydrophobicContact CG-CE1 4.09Å; R74-Y290 HydrophobicContact CG-CE2 3.93Å; R74-Y290 HydrophobicContact CG-CG 4.38Å
75	W	97.4	Very high	92.7	Very high	28 Å²	28	65.5 Å²	65.5	11%	0.106	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	139.3	172.5	-66.1	107.9	0	0	0	111.1	R65 V100 I101 E220 Y290 F293 L294	R65-W75 HydrophobicContact CB-CD2 4.37Å; R65-W75 HydrophobicContact CB-CE3 4.06Å; R65-W75 HydrophobicContact CB-CZ3 4.4Å; W75-V100 WeakPolarHBondContact CH2-O 3.08Å; W75-V100 WeakPolarHBondContact CZ2-O 3.35Å; W75-I101 HydrophobicContact CB-CD1 4.18Å; W75-I101 HydrophobicContact CD2-CB 4.26Å; W75-I101 HydrophobicContact CD2-CD1 3.62Å; W75-I101 HydrophobicContact CD2-CG1 3.83Å; W75-I101 HydrophobicContact CE3-CB 4.1Å; W75-I101 HydrophobicContact CE3-CD1 3.82Å; W75-I101 HydrophobicContact CE3-CG1 4.11Å; W75-I101 HydrophobicContact CG-CD1 3.78Å; W75-I101 HydrophobicContact CG-CG1 4.29Å; W75-I101 HydrophobicContact CH2-CB 3.75Å; W75-I101 HydrophobicContact CH2-CG1 4.29Å; W75-I101 HydrophobicContact CZ2-CB 3.91Å; W75-I101 HydrophobicContact CZ2-CG1 4.02Å; W75-I101 HydrophobicContact CZ3-CB 3.85Å; W75-I101 HydrophobicContact CZ3-CD1 4.45Å; W75-I101 HydrophobicContact CZ3-CG1 4.34Å; W75-E220 PolarHBondContact NE1-OE2 3.47Å; W75-Y290 HydrophobicContact CB-CE2 4.37Å; W75-Y290 PolarHBondContact N-OH 3.19Å; W75-F293 HydrophobicContact CB-CE1 4.43Å; W75-L294 HydrophobicContact CG-CD1 4.27Å
76	I	97.1	Very high	92.4	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.036	31%	0.308	C	S	.	.			trans	-77.3	138.5	176.5	-63.3	-61.1	0	0	0	109.5	L64 C66 L78 L82 F86 L96	L64-I76 HydrophobicContact CB-CB 4.24Å; L64-I76 HydrophobicContact CB-CG1 4.06Å; L64-I76 WeakPolarHBondContact O-CB 3.36Å; L64-I76 WeakPolarHBondContact O-CG1 3.25Å; L64-I76 PolarHBondContact O-N 2.89Å; C66-I76 HydrophobicContact CB-CD1 3.94Å; I76-L78 HydrophobicContact CG2-CD2 4.46Å; I76-L78 PolarHBondContact O-N 3.38Å; I76-L78 VanDerWaalsContact O-N 3.11Å; I76-L82 HydrophobicContact CD1-CD1 4.34Å; I76-L82 HydrophobicContact CG1-CD1 4.43Å; I76-L82 HydrophobicContact CG2-CD1 3.74Å; I76-F86 HydrophobicContact CD1-CE2 4.24Å; I76-F86 HydrophobicContact CD1-CZ 3.68Å; I76-L96 HydrophobicContact CD1-CD2 4.19Å; I76-L96 HydrophobicContact CG1-CD2 4.31Å
77	E	96.5	Very high	91.9	Very high	53 Å²	53	69.4 Å²	69.4	25%	0.248	33%	0.329	C	S	.	.			trans	-76.1	98.5	170.6	-58.6	-168.4	-109.7	0	0	109	D79 K80 Q85 F293	E77-D79 PolarHBondContact O-N 3.09Å; E77-K80 HydrophobicContact CB-CB 4.29Å; E77-K80 HydrophobicContact CB-CD 3.95Å; E77-K80 HydrophobicContact CB-CG 4.17Å; E77-K80 HydrophobicContact CG-CD 4.42Å; E77-K80 PolarHBondContact O-N 3.01Å; E77-K80 VanDerWaalsContact O-N 3.07Å; E77-K80 IonicContact OE1-NZ 3.85Å; E77-K80 PolarHBondContact OE1-NZ 2.98Å; E77-K80 WeakPolarHBondContact OE2-CE 3.13Å; E77-K80 IonicContact OE2-NZ 2.78Å; E77-K80 PolarHBondContact OE2-NZ 3.37Å; E77-Q85 PolarHBondContact O-NE2 3.42Å; E77-F293 HydrophobicContact CB-CE2 4.26Å; E77-F293 HydrophobicContact CB-CZ 4.31Å; E77-F293 HydrophobicContact CG-CD1 4.45Å; E77-F293 HydrophobicContact CG-CD2 4.05Å; E77-F293 HydrophobicContact CG-CE1 4.15Å; E77-F293 HydrophobicContact CG-CE2 3.73Å; E77-F293 HydrophobicContact CG-CG 4.41Å; E77-F293 HydrophobicContact CG-CZ 3.78Å
78	L	96.8	Very high	91.3	Very high	35 Å²	35	73.6 Å²	73.6	18%	0.183	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.9	-171.1	-62.6	177.5	0	0	0	113.6	T42 G43 Q44 L47 I76 K80	T42-L78 VanDerWaalsContact CB-O 3.31Å; T42-L78 WeakPolarHBondContact CB-O 3.46Å; G43-L78 PolarHBondContact N-O 3.46Å; Q44-L78 HydrophobicContact CB-CB 4.24Å; Q44-L78 PolarHBondContact N-O 2.81Å; L47-L78 HydrophobicContact CB-CD2 4.34Å; L47-L78 HydrophobicContact CD2-CD1 3.58Å; L47-L78 HydrophobicContact CD2-CD2 4.25Å; I76-L78 HydrophobicContact CG2-CD2 4.46Å; I76-L78 PolarHBondContact O-N 3.38Å; I76-L78 VanDerWaalsContact O-N 3.11Å; L78-K80 VanDerWaalsContact C-N 3.25Å; L78-K80 PolarHBondContact O-N 2.76Å
79	D	95.6	Very high	90.8	Very high	143 Å²	143	77.6 Å²	77.6	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.2	179.7	-61.7	-36.7	0	0	0	113.7	E77	E77-D79 PolarHBondContact O-N 3.09Å
80	K	95.7	Very high	90.4	Very high	83 Å²	83	75.6 Å²	75.6	36%	0.361	36%	0.364	S	S	.	.	S	Bend	trans	-102.9	150.5	-176.1	-67.1	-177.8	-178.4	169.1	0	111.8	T42 G43 E77 L78 L82 Q85	T42-K80 VanDerWaalsContact CA-O 3.3Å; T42-K80 WeakPolarHBondContact CA-O 3.39Å; G43-K80 PolarHBondContact N-O 3.18Å; G43-K80 VanDerWaalsContact N-O 3.13Å; E77-K80 HydrophobicContact CB-CB 4.29Å; E77-K80 HydrophobicContact CB-CD 3.95Å; E77-K80 HydrophobicContact CB-CG 4.17Å; E77-K80 HydrophobicContact CG-CD 4.42Å; E77-K80 PolarHBondContact O-N 3.01Å; E77-K80 VanDerWaalsContact O-N 3.07Å; E77-K80 IonicContact OE1-NZ 3.85Å; E77-K80 PolarHBondContact OE1-NZ 2.98Å; E77-K80 WeakPolarHBondContact OE2-CE 3.13Å; E77-K80 IonicContact OE2-NZ 2.78Å; E77-K80 PolarHBondContact OE2-NZ 3.37Å; L78-K80 VanDerWaalsContact C-N 3.25Å; L78-K80 PolarHBondContact O-N 2.76Å; K80-L82 PolarHBondContact O-N 3.1Å; K80-L82 VanDerWaalsContact O-N 3.16Å; K80-Q85 HydrophobicContact CB-CG 4.38Å; K80-Q85 PolarHBondContact O-NE2 2.99Å
81	P	94.8	Very high	90	Very high	38 Å²	38	71.2 Å²	71.2	25%	0.247	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-54.4	121.5	173.3	-26	35.3	0	0	0	110.9	R83 K84	P81-R83 PolarHBondContact O-N 3.42Å; P81-K84 HydrophobicContact CB-CB 4.21Å; P81-K84 HydrophobicContact CB-CD 3.93Å; P81-K84 HydrophobicContact CB-CG 3.99Å; P81-K84 HydrophobicContact CG-CD 4.09Å; P81-K84 PolarHBondContact O-N 3.24Å; P81-K84 VanDerWaalsContact O-N 3.15Å
82	L	94.8	Very high	89.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.5	-47.1	-169.2	175.9	67	0	0	0	111.2	V23 L37 S41 C46 I76 K80 K84 Q85 F86 L96	V23-L82 HydrophobicContact CG1-CD2 4.5Å; V23-L82 HydrophobicContact CG2-CD2 4.01Å; L37-L82 HydrophobicContact CD1-CD2 3.62Å; S41-L82 PolarHBondContact O-N 3.39Å; C46-L82 HydrophobicContact CB-CD2 4.09Å; I76-L82 HydrophobicContact CD1-CD1 4.34Å; I76-L82 HydrophobicContact CG1-CD1 4.43Å; I76-L82 HydrophobicContact CG2-CD1 3.74Å; K80-L82 PolarHBondContact O-N 3.1Å; K80-L82 VanDerWaalsContact O-N 3.16Å; L82-K84 PolarHBondContact O-N 3.36Å; L82-Q85 WeakPolarHBondContact O-CB 3.4Å; L82-Q85 PolarHBondContact O-N 3.44Å; L82-Q85 VanDerWaalsContact O-N 3.12Å; L82-F86 HydrophobicContact CD1-CE2 3.86Å; L82-F86 HydrophobicContact CG-CE2 4.32Å; L82-F86 VanDerWaalsContact O-CD2 3.24Å; L82-F86 WeakPolarHBondContact O-CD2 3.42Å; L82-F86 WeakPolarHBondContact O-CE2 3.29Å; L82-L96 HydrophobicContact CD1-CD1 3.97Å; L82-L96 HydrophobicContact CD2-CD1 3.94Å
83	R	90.7	Very high	88.9	Confident	57 Å²	57	75 Å²	75	22%	0.215	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-58.9	-30	179	-169	173.9	178.6	168.4	6.1	113.7	K18 Y21 P81 Q85 Q91	K18-R83 PolarHBondContact O-NH1 3.3Å; Y21-R83 HydrophobicContact CE1-CB 3.94Å; Y21-R83 HydrophobicContact CE1-CG 4.45Å; Y21-R83 HydrophobicContact CE2-CB 4.34Å; Y21-R83 PolarHBondContact OH-N 3.31Å; P81-R83 PolarHBondContact O-N 3.42Å; R83-Q85 VanDerWaalsContact C-N 3.3Å; R83-Q85 PolarHBondContact O-N 3.18Å; R83-Q91 HydrophobicContact CG-CB 4.33Å; R83-Q91 HydrophobicContact CG-CG 3.85Å; R83-Q91 VanDerWaalsContact NE-OE1 3.14Å; R83-Q91 PolarHBondContact O-NE2 3.47Å
84	K	91.5	Very high	88.7	Confident	166 Å²	166	71.5 Å²	71.5	72%	0.722	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-79.9	-10.5	-178.2	-64.9	-174.5	-175.6	174.3	0	113.5	P81 L82 F86	P81-K84 HydrophobicContact CB-CB 4.21Å; P81-K84 HydrophobicContact CB-CD 3.93Å; P81-K84 HydrophobicContact CB-CG 3.99Å; P81-K84 HydrophobicContact CG-CD 4.09Å; P81-K84 PolarHBondContact O-N 3.24Å; P81-K84 VanDerWaalsContact O-N 3.15Å; L82-K84 PolarHBondContact O-N 3.36Å; K84-F86 VanDerWaalsContact C-N 3.27Å
85	Q	92.8	Very high	88.6	Confident	59 Å²	59	77.7 Å²	77.7	28%	0.276	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-82.1	-7.6	176.6	-61.6	-176.1	55.9	0	0	112.6	E77 K80 L82 R83	E77-Q85 PolarHBondContact O-NE2 3.42Å; K80-Q85 HydrophobicContact CB-CG 4.38Å; K80-Q85 PolarHBondContact O-NE2 2.99Å; L82-Q85 WeakPolarHBondContact O-CB 3.4Å; L82-Q85 PolarHBondContact O-N 3.44Å; L82-Q85 VanDerWaalsContact O-N 3.12Å; R83-Q85 VanDerWaalsContact C-N 3.3Å; R83-Q85 PolarHBondContact O-N 3.18Å
86	F	89.9	Confident	88.6	Confident	20 Å²	20	76.3 Å²	76.3	9%	0.088	37%	0.369	C	S	.	.	S	Bend	trans	-118.9	150.4	-177	-59.8	-85.1	0	0	0	112.2	C66 I76 L82 K84 E90 Q91 L94 L96	C66-F86 HydrophobicContact CB-CE1 3.61Å; C66-F86 HydrophobicContact CB-CZ 3.78Å; I76-F86 HydrophobicContact CD1-CE2 4.24Å; I76-F86 HydrophobicContact CD1-CZ 3.68Å; L82-F86 HydrophobicContact CD1-CE2 3.86Å; L82-F86 HydrophobicContact CG-CE2 4.32Å; L82-F86 VanDerWaalsContact O-CD2 3.24Å; L82-F86 WeakPolarHBondContact O-CD2 3.42Å; L82-F86 WeakPolarHBondContact O-CE2 3.29Å; K84-F86 VanDerWaalsContact C-N 3.27Å; F86-E90 HydrophobicContact CB-CB 4.29Å; F86-Q91 HydrophobicContact CB-CG 4.29Å; F86-Q91 PolarHBondContact O-NE2 3.07Å; F86-L94 HydrophobicContact CB-CD2 3.88Å; F86-L94 HydrophobicContact CD1-CD2 3.69Å; F86-L94 HydrophobicContact CD2-CD1 3.74Å; F86-L94 HydrophobicContact CD2-CD2 3.5Å; F86-L94 HydrophobicContact CD2-CG 4.29Å; F86-L94 HydrophobicContact CE1-CD2 4.05Å; F86-L94 HydrophobicContact CE2-CD1 3.93Å; F86-L94 HydrophobicContact CE2-CD2 3.89Å; F86-L94 HydrophobicContact CE2-CG 4.49Å; F86-L94 HydrophobicContact CG-CD1 4.45Å; F86-L94 HydrophobicContact CG-CD2 3.4Å; F86-L94 HydrophobicContact CZ-CD2 4.15Å; F86-L96 HydrophobicContact CE2-CD2 4.37Å; F86-L96 HydrophobicContact CZ-CD2 3.7Å
87	D	85.1	Confident	88.7	Confident	103 Å²	103	77 Å²	77	55%	0.551	37%	0.371	S	S	*	.			trans	-64.6	152.8	173.2	-74.5	-31.3	0	0	0	111.6	S89 E90 Q91	D87-S89 PolarHBondContact O-N 3.3Å; D87-E90 PolarHBondContact O-N 3.41Å; D87-Q91 WeakPolarHBondContact O-CG 3.28Å; D87-Q91 PolarHBondContact O-N 3.39Å
88	K	79	Confident	88.8	Confident	182 Å²	182	74.5 Å²	74.5	79%	0.791	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.7	-177.2	-67	-177.7	-178.7	177.7	0	113.3
89	S	75.3	Confident	88.8	Confident	102 Å²	102	72.8 Å²	72.8	71%	0.713	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-30	176.6	46.3	0	0	0	0	113.4	D87	D87-S89 PolarHBondContact O-N 3.3Å
90	E	77.2	Confident	88.9	Confident	67 Å²	67	66 Å²	66	31%	0.313	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-20.3	-175.5	-61.4	-176.6	162.6	0	0	112.5	F86 D87 N92 Q93 L94	F86-E90 HydrophobicContact CB-CB 4.29Å; D87-E90 PolarHBondContact O-N 3.41Å; E90-N92 PolarHBondContact O-N 2.92Å; E90-N92 VanDerWaalsContact O-N 3.08Å; E90-Q93 PolarHBondContact O-N 3.43Å; E90-L94 HydrophobicContact CB-CD2 4.48Å; E90-L94 VanDerWaalsContact O-CD2 3.27Å; E90-L94 WeakPolarHBondContact O-CD2 3.29Å
91	Q	76.2	Confident	89	Confident	35 Å²	35	62.5 Å²	62.5	16%	0.164	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	-174.7	-74.6	175.3	27.5	0	0	115.5	R83 F86 D87	R83-Q91 HydrophobicContact CG-CB 4.33Å; R83-Q91 HydrophobicContact CG-CG 3.85Å; R83-Q91 VanDerWaalsContact NE-OE1 3.14Å; R83-Q91 PolarHBondContact O-NE2 3.47Å; F86-Q91 HydrophobicContact CB-CG 4.29Å; F86-Q91 PolarHBondContact O-NE2 3.07Å; D87-Q91 WeakPolarHBondContact O-CG 3.28Å; D87-Q91 PolarHBondContact O-N 3.39Å
92	N	71.8	Confident	89.1	Confident	135 Å²	135	62 Å²	62	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.4	-177.4	-69.4	-20.8	0	0	0	113.2	E90	E90-N92 PolarHBondContact O-N 2.92Å; E90-N92 VanDerWaalsContact O-N 3.08Å
93	Q	79.9	Confident	89.2	Confident	154 Å²	154	63.1 Å²	63.1	72%	0.72	30%	0.298	S	S	*	.	S	Bend	trans	-149.1	79.7	178.3	-167.9	177.8	11.5	0	0	110.3	E90 R95	E90-Q93 PolarHBondContact O-N 3.43Å; Q93-R95 PolarHBondContact O-N 3.26Å
94	L	90	Very high	89.3	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.6	178.6	-64.6	178.1	0	0	0	110.4	Y21 V23 S24 F86 E90	Y21-L94 HydrophobicContact CD2-CD1 4.27Å; Y21-L94 HydrophobicContact CE2-CD1 3.81Å; V23-L94 HydrophobicContact CG1-CB 4.15Å; V23-L94 HydrophobicContact CG2-CB 4.24Å; V23-L94 HydrophobicContact CG2-CD1 4.34Å; S24-L94 PolarHBondContact N-O 2.91Å; F86-L94 HydrophobicContact CB-CD2 3.88Å; F86-L94 HydrophobicContact CD1-CD2 3.69Å; F86-L94 HydrophobicContact CD2-CD1 3.74Å; F86-L94 HydrophobicContact CD2-CD2 3.5Å; F86-L94 HydrophobicContact CD2-CG 4.29Å; F86-L94 HydrophobicContact CE1-CD2 4.05Å; F86-L94 HydrophobicContact CE2-CD1 3.93Å; F86-L94 HydrophobicContact CE2-CD2 3.89Å; F86-L94 HydrophobicContact CE2-CG 4.49Å; F86-L94 HydrophobicContact CG-CD1 4.45Å; F86-L94 HydrophobicContact CG-CD2 3.4Å; F86-L94 HydrophobicContact CZ-CD2 4.15Å; E90-L94 HydrophobicContact CB-CD2 4.48Å; E90-L94 VanDerWaalsContact O-CD2 3.27Å; E90-L94 WeakPolarHBondContact O-CD2 3.29Å
95	R	93.5	Very high	89.4	Confident	159 Å²	159	56.6 Å²	56.6	60%	0.6	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.7	170.2	-172.7	-179.8	-68.9	-178.5	-1.7	109.4	S24 Q93 F97	S24-R95 CarbonylContact O-C 3.48Å; S24-R95 WeakPolarHBondContact O-CA 3.04Å; Q93-R95 PolarHBondContact O-N 3.26Å; R95-F97 HydrophobicContact CG-CE2 4.31Å; R95-F97 HydrophobicContact CG-CZ 4.27Å
96	L	97.3	Very high	89.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	164.8	174.4	-54.1	-175.8	0	0	0	110.1	V23 S24 V25 Q26 L64 R65 C66 I76 L82 F86	V23-L96 HydrophobicContact CG1-CB 4.48Å; V23-L96 HydrophobicContact CG1-CD1 3.63Å; V23-L96 HydrophobicContact CG1-CG 3.69Å; S24-L96 PolarHBondContact O-N 3.45Å; V25-L96 CarbonylContact C-O 3.53Å; V25-L96 WeakPolarHBondContact CA-O 3.42Å; V25-L96 HydrophobicContact CG2-CB 4.31Å; Q26-L96 PolarHBondContact N-O 3.18Å; L64-L96 HydrophobicContact CB-CD1 4.4Å; L64-L96 HydrophobicContact CD1-CD1 4.02Å; R65-L96 CarbonylContact O-C 3.59Å; R65-L96 WeakPolarHBondContact O-CA 3.24Å; C66-L96 HydrophobicContact CB-CD2 3.91Å; I76-L96 HydrophobicContact CD1-CD2 4.19Å; I76-L96 HydrophobicContact CG1-CD2 4.31Å; L82-L96 HydrophobicContact CD1-CD1 3.97Å; L82-L96 HydrophobicContact CD2-CD1 3.94Å; F86-L96 HydrophobicContact CE2-CD2 4.37Å; F86-L96 HydrophobicContact CZ-CD2 3.7Å
97	F	97.9	Very high	89.5	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.088	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.8	175.9	-52.7	-105.4	0	0	0	108.1	Q26 L64 R65 K67 Y73 R95	Q26-F97 HydrophobicContact CB-CD1 3.86Å; Q26-F97 HydrophobicContact CB-CE1 4.29Å; Q26-F97 HydrophobicContact CB-CG 4.5Å; Q26-F97 HydrophobicContact CG-CD1 4.21Å; Q26-F97 CarbonylContact O-C 3.58Å; Q26-F97 WeakPolarHBondContact O-CA 3.28Å; L64-F97 CarbonylContact C-O 3.55Å; L64-F97 WeakPolarHBondContact CA-O 3.38Å; R65-F97 HydrophobicContact CG-CB 3.62Å; R65-F97 HydrophobicContact CG-CD2 4.47Å; R65-F97 HydrophobicContact CG-CG 4.41Å; R65-F97 WeakPolarHBondContact CG-O 3.45Å; R65-F97 PolarHBondContact N-O 3.23Å; R65-F97 PolarHBondContact O-N 3.46Å; K67-F97 HydrophobicContact CB-CE2 4.17Å; Y73-F97 HydrophobicContact CD1-CD2 4.17Å; Y73-F97 HydrophobicContact CD1-CE2 4.35Å; Y73-F97 HydrophobicContact CE1-CD1 4.26Å; Y73-F97 AromaticContact CE1-CD2 3.73Å; Y73-F97 HydrophobicContact CE1-CD2 3.73Å; Y73-F97 HydrophobicContact CE1-CE1 4.11Å; Y73-F97 AromaticContact CE1-CE2 3.62Å; Y73-F97 HydrophobicContact CE1-CE2 3.62Å; Y73-F97 HydrophobicContact CE1-CG 4.08Å; Y73-F97 AromaticContact CE1-CZ 3.82Å; Y73-F97 HydrophobicContact CE1-CZ 3.82Å; R95-F97 HydrophobicContact CG-CE2 4.31Å; R95-F97 HydrophobicContact CG-CZ 4.27Å
98	F	98.4	Very high	89.8	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.4	172.8	-179.9	-103.4	0	0	0	109.7	V25 Q26 L27 L47 V50 L54 L56 F62 L64 Y118	V25-F98 HydrophobicContact CG1-CB 3.99Å; Q26-F98 PolarHBondContact O-N 3.41Å; L27-F98 HydrophobicContact CD2-CB 3.7Å; L27-F98 HydrophobicContact CD2-CD1 4.19Å; L27-F98 HydrophobicContact CD2-CG 4.03Å; L47-F98 HydrophobicContact CD1-CD2 3.96Å; L47-F98 HydrophobicContact CD1-CE2 3.7Å; V50-F98 HydrophobicContact CG1-CD2 3.77Å; V50-F98 HydrophobicContact CG1-CE2 4.03Å; V50-F98 HydrophobicContact CG1-CG 4.23Å; L54-F98 HydrophobicContact CD1-CE1 4.22Å; L54-F98 HydrophobicContact CD1-CZ 4.38Å; L56-F98 HydrophobicContact CD1-CE1 4.12Å; L56-F98 HydrophobicContact CD1-CE2 4.38Å; L56-F98 HydrophobicContact CD1-CZ 3.5Å; L56-F98 VanDerWaalsContact CD1-CZ 3.5Å; F62-F98 HydrophobicContact CB-CD2 4.39Å; F62-F98 HydrophobicContact CB-CE1 4.49Å; F62-F98 HydrophobicContact CB-CE2 3.45Å; F62-F98 VanDerWaalsContact CB-CE2 3.45Å; F62-F98 HydrophobicContact CB-CZ 3.51Å; F62-F98 HydrophobicContact CD1-CD1 4.43Å; F62-F98 AromaticContact CD1-CE1 3.47Å; F62-F98 HydrophobicContact CD1-CE1 3.47Å; F62-F98 VanDerWaalsContact CD1-CE1 3.47Å; F62-F98 HydrophobicContact CD1-CE2 4.02Å; F62-F98 AromaticContact CD1-CZ 3.21Å; F62-F98 HydrophobicContact CD1-CZ 3.21Å; F62-F98 AromaticContact CD2-CZ 3.94Å; F62-F98 HydrophobicContact CD2-CZ 3.94Å; F62-F98 AromaticContact CE1-CE1 3.81Å; F62-F98 HydrophobicContact CE1-CE1 3.81Å; F62-F98 AromaticContact CE1-CZ 3.85Å; F62-F98 HydrophobicContact CE1-CZ 3.85Å; F62-F98 HydrophobicContact CE2-CZ 4.47Å; F62-F98 HydrophobicContact CG-CE1 4.03Å; F62-F98 AromaticContact CG-CE2 3.8Å; F62-F98 HydrophobicContact CG-CE2 3.8Å; F62-F98 AromaticContact CG-CZ 3.26Å; F62-F98 HydrophobicContact CG-CZ 3.26Å; F62-F98 HydrophobicContact CZ-CZ 4.43Å; L64-F98 HydrophobicContact CD2-CB 4.46Å; L64-F98 HydrophobicContact CD2-CD2 4.3Å; F98-Y118 HydrophobicContact CD1-CD1 4.03Å; F98-Y118 HydrophobicContact CD1-CE1 4.13Å; F98-Y118 AromaticContact CE1-CD1 3.64Å; F98-Y118 HydrophobicContact CE1-CD1 3.64Å; F98-Y118 HydrophobicContact CE1-CE1 4Å; F98-Y118 HydrophobicContact CE1-CG 4.25Å
99	G	97.9	Very high	90.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	171	179.2	0	0	0	0	0	113.1	F62 G63	F62-G99 CarbonylContact C-O 3.38Å; F62-G99 VanDerWaalsContact CA-O 3.32Å; F62-G99 WeakPolarHBondContact CA-O 3.16Å; G63-G99 PolarHBondContact N-O 2.96Å; G63-G99 PolarHBondContact O-N 3.41Å
100	V	97.9	Very high	91.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.1	176.2	-178.5	0	0	0	0	109.1	F61 F62 W75 Y102 H103 F119 Q122	F61-V100 WeakPolarHBondContact O-CA 3.34Å; F62-V100 HydrophobicContact CD1-CG2 4.04Å; F62-V100 HydrophobicContact CE1-CG2 3.73Å; W75-V100 WeakPolarHBondContact CH2-O 3.08Å; W75-V100 WeakPolarHBondContact CZ2-O 3.35Å; V100-Y102 WeakPolarHBondContact CG1-O 3.43Å; V100-H103 PolarHBondContact O-CE1 3.32Å; V100-F119 HydrophobicContact CG1-CD1 4.29Å; V100-F119 HydrophobicContact CG1-CE1 3.64Å; V100-F119 HydrophobicContact CG1-CE2 4.17Å; V100-F119 HydrophobicContact CG1-CZ 3.58Å; V100-F119 HydrophobicContact CG2-CD1 4.34Å; V100-F119 HydrophobicContact CG2-CD2 4.19Å; V100-F119 HydrophobicContact CG2-CE1 4.44Å; V100-F119 HydrophobicContact CG2-CE2 4.31Å; V100-F119 HydrophobicContact CG2-CG 4.23Å; V100-F119 HydrophobicContact CG2-CZ 4.43Å; V100-Q122 HydrophobicContact CB-CB 4.33Å; V100-Q122 HydrophobicContact CB-CG 3.89Å; V100-Q122 HydrophobicContact CG2-CB 3.71Å; V100-Q122 HydrophobicContact CG2-CG 3.85Å; V100-Q122 VanDerWaalsContact N-OE1 3.16Å
101	I	97.3	Very high	92.2	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.041	25%	0.247	C	C	.	.			trans	-98.7	-33.2	176.4	-169.2	171	0	0	0	111.8	F61 W75 L294 L297 Q298	F61-I101 PolarHBondContact O-N 3.39Å; W75-I101 HydrophobicContact CB-CD1 4.18Å; W75-I101 HydrophobicContact CD2-CB 4.26Å; W75-I101 HydrophobicContact CD2-CD1 3.62Å; W75-I101 HydrophobicContact CD2-CG1 3.83Å; W75-I101 HydrophobicContact CE3-CB 4.1Å; W75-I101 HydrophobicContact CE3-CD1 3.82Å; W75-I101 HydrophobicContact CE3-CG1 4.11Å; W75-I101 HydrophobicContact CG-CD1 3.78Å; W75-I101 HydrophobicContact CG-CG1 4.29Å; W75-I101 HydrophobicContact CH2-CB 3.75Å; W75-I101 HydrophobicContact CH2-CG1 4.29Å; W75-I101 HydrophobicContact CZ2-CB 3.91Å; W75-I101 HydrophobicContact CZ2-CG1 4.02Å; W75-I101 HydrophobicContact CZ3-CB 3.85Å; W75-I101 HydrophobicContact CZ3-CD1 4.45Å; W75-I101 HydrophobicContact CZ3-CG1 4.34Å; I101-L294 HydrophobicContact CD1-CD1 4.37Å; I101-L297 HydrophobicContact CD1-CD2 3.51Å; I101-Q298 PolarHBondContact O-NE2 2.88Å
102	Y	96.9	Very high	93.1	Very high	29 Å²	29	48 Å²	48	11%	0.114	24%	0.242	C	C	.	.	S	Bend	trans	-111.4	113.1	177.5	-51.3	-67.1	0	0	0	110.8	I60 F61 V100 L297 F301	I60-Y102 WeakPolarHBondContact O-CD2 3.47Å; I60-Y102 VanDerWaalsContact O-CE2 3.3Å; I60-Y102 WeakPolarHBondContact O-CE2 3.29Å; F61-Y102 PolarHBondContact O-N 3.27Å; V100-Y102 WeakPolarHBondContact CG1-O 3.43Å; Y102-L297 HydrophobicContact CE1-CG 4.13Å; Y102-L297 WeakPolarHBondContact OH-CD1 3.44Å; Y102-L297 WeakPolarHBondContact OH-CG 3.49Å; Y102-F301 HydrophobicContact CD1-CB 3.67Å; Y102-F301 AromaticContact CD1-CD1 3.59Å; Y102-F301 HydrophobicContact CD1-CD1 3.59Å; Y102-F301 HydrophobicContact CD1-CD2 4.04Å; Y102-F301 HydrophobicContact CD1-CE1 4.23Å; Y102-F301 AromaticContact CD1-CG 3.47Å; Y102-F301 HydrophobicContact CD1-CG 3.47Å; Y102-F301 VanDerWaalsContact CD1-CG 3.47Å; Y102-F301 HydrophobicContact CD2-CD1 4.34Å; Y102-F301 AromaticContact CD2-CD2 3.67Å; Y102-F301 HydrophobicContact CD2-CD2 3.67Å; Y102-F301 HydrophobicContact CD2-CE1 4.41Å; Y102-F301 AromaticContact CD2-CE2 3.73Å; Y102-F301 HydrophobicContact CD2-CE2 3.73Å; Y102-F301 AromaticContact CD2-CG 3.99Å; Y102-F301 HydrophobicContact CD2-CG 3.99Å; Y102-F301 HydrophobicContact CD2-CZ 4.12Å; Y102-F301 HydrophobicContact CE1-CB 3.4Å; Y102-F301 VanDerWaalsContact CE1-CB 3.4Å; Y102-F301 HydrophobicContact CE1-CD1 4.23Å; Y102-F301 HydrophobicContact CE1-CD2 4.1Å; Y102-F301 AromaticContact CE1-CG 3.66Å; Y102-F301 HydrophobicContact CE1-CG 3.66Å; Y102-F301 AromaticContact CE2-CD2 3.74Å; Y102-F301 HydrophobicContact CE2-CD2 3.74Å; Y102-F301 HydrophobicContact CE2-CE2 4.17Å; Y102-F301 HydrophobicContact CE2-CG 4.15Å; Y102-F301 HydrophobicContact CG-CB 4.33Å; Y102-F301 AromaticContact CG-CD1 3.65Å; Y102-F301 HydrophobicContact CG-CD1 3.65Å; Y102-F301 AromaticContact CG-CD2 3.82Å; Y102-F301 HydrophobicContact CG-CD2 3.82Å; Y102-F301 AromaticContact CG-CE1 3.83Å; Y102-F301 HydrophobicContact CG-CE1 3.83Å; Y102-F301 AromaticContact CG-CE2 3.97Å; Y102-F301 HydrophobicContact CG-CE2 3.97Å; Y102-F301 AromaticContact CG-CG 3.65Å; Y102-F301 HydrophobicContact CG-CG 3.65Å; Y102-F301 AromaticContact CG-CZ 3.99Å; Y102-F301 HydrophobicContact CG-CZ 3.99Å; Y102-F301 AromaticContact CZ-CD2 3.94Å; Y102-F301 AromaticContact CZ-CG 3.98Å
103	H	95.8	Very high	94.3	Very high	23 Å²	23	47.9 Å²	47.9	11%	0.106	24%	0.237	C	C	.	.			trans	-90.9	108.6	-179	-67.9	74.6	0	0	0	109.3	V100 M123 Y217 G218 F302	V100-H103 PolarHBondContact O-CE1 3.32Å; H103-M123 WeakPolarHBondContact NE2-CE 3.27Å; H103-Y217 HydrophobicContact CB-CD1 4.47Å; H103-Y217 HydrophobicContact CB-CE1 3.77Å; H103-G218 VanDerWaalsContact CG-CA 3.44Å; H103-F302 WeakPolarHBondContact O-CZ 3.22Å
104	T	94	Very high	95.1	Very high	7 Å²	7	42 Å²	42	4%	0.043	21%	0.211	C	C	.	.			trans	-68.9	130.9	180	177	0	0	0	0	111.2	N106 T109 I110 F119 Q212 Y217	T104-N106 WeakPolarHBondContact CG2-O 3.21Å; T104-N106 PolarHBondContact O-N 2.68Å; T104-N106 PolarHBondContact OG1-N 3.49Å; T104-N106 PolarHBondContact OG1-O 3.39Å; T104-T109 WeakPolarHBondContact CB-OG1 3.45Å; T104-T109 WeakPolarHBondContact CG2-OG1 3.31Å; T104-T109 PolarHBondContact OG1-OG1 2.95Å; T104-I110 HydrophobicContact CG2-CD1 3.84Å; T104-I110 HydrophobicContact CG2-CG1 3.84Å; T104-F119 HydrophobicContact CG2-CE1 4.06Å; T104-F119 HydrophobicContact CG2-CZ 4.26Å; T104-Q212 PolarHBondContact O-NE2 3.41Å; T104-Y217 PolarHBondContact O-OH 3Å
105	P	92.4	Very high	95.4	Very high	78 Å²	78	41.7 Å²	41.7	51%	0.506	21%	0.21	S	C	.	.	S	Bend	trans	-69.4	-20.5	176	29	-35.1	0	0	0	112.7	Q212	P105-Q212 PolarHBondContact O-NE2 2.82Å
106	N	91.7	Very high	95.6	Very high	70 Å²	70	35.5 Å²	35.5	37%	0.374	19%	0.186	S	C	.	.			trans	-116.8	120.9	179.3	179.9	-0.6	0	0	0	109.9	T104 H108 T109	T104-N106 WeakPolarHBondContact CG2-O 3.21Å; T104-N106 PolarHBondContact O-N 2.68Å; T104-N106 PolarHBondContact OG1-N 3.49Å; T104-N106 PolarHBondContact OG1-O 3.39Å; N106-H108 PolarHBondContact O-N 3.45Å; N106-H108 WeakPolarHBondContact OD1-CB 3.5Å; N106-H108 PolarHBondContact OD1-CD2 3.39Å; N106-H108 PolarHBondContact OD1-N 3.2Å; N106-T109 HydrophobicContact CB-CG2 4.02Å; N106-T109 PolarHBondContact O-N 3.5Å; N106-T109 PolarHBondContact O-OG1 2.91Å
107	V	93.1	Very high	95.7	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.048	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63.9	-27.8	179.2	67.7	0	0	0	0	112.8	T109 I110 L205 I208	V107-T109 PolarHBondContact O-N 3.49Å; V107-I110 WeakPolarHBondContact O-CB 3.48Å; V107-I110 PolarHBondContact O-N 3.49Å; V107-I110 VanDerWaalsContact O-N 3.12Å; V107-L205 HydrophobicContact CG2-CD2 3.61Å; V107-I208 HydrophobicContact CB-CG2 4.33Å; V107-I208 HydrophobicContact CG2-CB 3.95Å; V107-I208 HydrophobicContact CG2-CG2 3.71Å
108	H	91.5	Very high	95.7	Very high	143 Å²	143	38 Å²	38	66%	0.662	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-72.3	-11.3	-177.8	-61.6	-64.9	0	0	0	113.9	N106 I110	N106-H108 PolarHBondContact O-N 3.45Å; N106-H108 WeakPolarHBondContact OD1-CB 3.5Å; N106-H108 PolarHBondContact OD1-CD2 3.39Å; N106-H108 PolarHBondContact OD1-N 3.2Å; H108-I110 PolarHBondContact O-N 3.19Å
109	T	92.6	Very high	95.6	Very high	42 Å²	42	37.9 Å²	37.9	26%	0.258	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-71.4	-16.8	171.5	66.8	0	0	0	0	111.9	Q58 T104 N106 V107 T111	Q58-T109 PolarHBondContact NE2-O 3.34Å; T104-T109 WeakPolarHBondContact CB-OG1 3.45Å; T104-T109 WeakPolarHBondContact CG2-OG1 3.31Å; T104-T109 PolarHBondContact OG1-OG1 2.95Å; N106-T109 HydrophobicContact CB-CG2 4.02Å; N106-T109 PolarHBondContact O-N 3.5Å; N106-T109 PolarHBondContact O-OG1 2.91Å; V107-T109 PolarHBondContact O-N 3.49Å; T109-T111 PolarHBondContact O-N 2.67Å
110	I	94.8	Very high	95.7	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.195	C	C	.	.			trans	-88.1	96.2	175.9	-48.8	170.1	0	0	0	108.7	T104 V107 H108 T115 R116 F119	T104-I110 HydrophobicContact CG2-CD1 3.84Å; T104-I110 HydrophobicContact CG2-CG1 3.84Å; V107-I110 WeakPolarHBondContact O-CB 3.48Å; V107-I110 PolarHBondContact O-N 3.49Å; V107-I110 VanDerWaalsContact O-N 3.12Å; H108-I110 PolarHBondContact O-N 3.19Å; I110-T115 HydrophobicContact CG2-CG2 3.66Å; I110-R116 HydrophobicContact CG2-CB 3.78Å; I110-F119 HydrophobicContact CD1-CB 4.05Å; I110-F119 HydrophobicContact CD1-CD1 3.72Å; I110-F119 HydrophobicContact CD1-CD2 3.84Å; I110-F119 HydrophobicContact CD1-CE1 4.04Å; I110-F119 HydrophobicContact CD1-CE2 4.13Å; I110-F119 HydrophobicContact CD1-CG 3.6Å; I110-F119 HydrophobicContact CD1-CZ 4.23Å; I110-F119 HydrophobicContact CG1-CD2 4.47Å; I110-F119 HydrophobicContact CG1-CE2 4.45Å
111	T	94.6	Very high	95.7	Very high	112 Å²	112	38.4 Å²	38.4	69%	0.687	20%	0.198	S	C	*	.			trans	-95.7	-26.6	-178.1	57.6	0	0	0	0	112.3	Q58 T109	Q58-T111 PolarHBondContact OE1-OG1 3.43Å; T109-T111 PolarHBondContact O-N 2.67Å
112	D	95.9	Very high	95.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	20%	0.197	C	C	.	.			trans	-81.7	130.8	179.1	177.7	47.7	0	0	0	112	R57 Q58 T115 R116	R57-D112 HydrophobicContact CB-CB 4.1Å; R57-D112 PolarHBondContact N-OD2 3.39Å; R57-D112 VanDerWaalsContact N-OD2 3.11Å; Q58-D112 HydrophobicContact CB-CB 4.5Å; Q58-D112 HydrophobicContact CG-CB 4Å; D112-T115 PolarHBondContact O-N 3.33Å; D112-T115 WeakPolarHBondContact OD2-CB 3.32Å; D112-T115 PolarHBondContact OD2-N 3.42Å; D112-T115 VanDerWaalsContact OD2-N 3.1Å; D112-T115 PolarHBondContact OD2-OG1 2.63Å; D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 2.91Å
113	E	96.4	Very high	95.7	Very high	132 Å²	132	37 Å²	37	62%	0.617	19%	0.192	S	C	*	.	H	α-helix	trans	-66.6	-39.9	-176.4	67	-172.7	179.4	0	0	112.7	R116 Y117	E113-R116 PolarHBondContact O-N 2.9Å; E113-Y117 PolarHBondContact O-N 2.8Å
114	V	97.2	Very high	95.8	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-43.6	178.5	-172.5	0	0	0	0	109.3	L54 L56 R116 Y117 Y118	L54-V114 WeakPolarHBondContact O-CG1 3.26Å; L56-V114 HydrophobicContact CD2-CB 3.86Å; L56-V114 HydrophobicContact CD2-CG1 3.5Å; L56-V114 VanDerWaalsContact CD2-CG1 3.5Å; L56-V114 HydrophobicContact CG-CG1 3.88Å; V114-R116 VanDerWaalsContact C-N 3.32Å; V114-R116 PolarHBondContact O-N 2.83Å; V114-Y117 PolarHBondContact O-N 2.83Å; V114-Y118 HydrophobicContact CG1-CD2 3.93Å; V114-Y118 HydrophobicContact CG1-CE2 4Å; V114-Y118 WeakPolarHBondContact O-CD2 3.37Å; V114-Y118 PolarHBondContact O-N 2.64Å
115	T	97.2	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-46.1	174.7	-61	0	0	0	0	111	Q58 F61 F62 I110 D112 Y117 Y118 F119	Q58-T115 HydrophobicContact CB-CG2 4.03Å; F61-T115 HydrophobicContact CD2-CG2 4.02Å; F62-T115 HydrophobicContact CE2-CG2 3.82Å; F62-T115 HydrophobicContact CZ-CG2 3.97Å; I110-T115 HydrophobicContact CG2-CG2 3.66Å; D112-T115 PolarHBondContact O-N 3.33Å; D112-T115 WeakPolarHBondContact OD2-CB 3.32Å; D112-T115 PolarHBondContact OD2-N 3.42Å; D112-T115 VanDerWaalsContact OD2-N 3.1Å; D112-T115 PolarHBondContact OD2-OG1 2.63Å; T115-Y117 PolarHBondContact O-N 2.84Å; T115-Y118 PolarHBondContact O-N 3.06Å; T115-F119 HydrophobicContact CG2-CD2 3.78Å; T115-F119 HydrophobicContact CG2-CE2 3.88Å; T115-F119 WeakPolarHBondContact O-CD2 3.4Å; T115-F119 PolarHBondContact O-N 3.18Å
116	R	97.7	Very high	96.1	Very high	29 Å²	29	35.7 Å²	35.7	11%	0.109	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-45.6	177.2	-178.5	176.7	53.3	-111.8	-2.7	112.2	I110 D112 E113 V114 Y118 F119 Y120 E204 L205 I208	I110-R116 HydrophobicContact CG2-CB 3.78Å; D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 2.91Å; E113-R116 PolarHBondContact O-N 2.9Å; V114-R116 VanDerWaalsContact C-N 3.32Å; V114-R116 PolarHBondContact O-N 2.83Å; R116-Y118 PolarHBondContact O-N 2.93Å; R116-F119 WeakPolarHBondContact O-CB 3.4Å; R116-F119 PolarHBondContact O-N 2.78Å; R116-Y120 PolarHBondContact O-N 2.84Å; R116-E204 HydrophobicContact CG-CB 4.01Å; R116-E204 IonicContact CZ-OE2 3.2Å; R116-E204 IonicContact NE-OE2 3.68Å; R116-E204 PolarHBondContact NE-OE2 2.9Å; R116-E204 IonicContact NH2-OE2 3.84Å; R116-L205 VanDerWaalsContact CD-CD2 3.44Å; R116-L205 HydrophobicContact CG-CD2 4.34Å; R116-I208 HydrophobicContact CG-CD1 3.82Å
117	Y	97.9	Very high	96.3	Very high	62 Å²	62	32.6 Å²	32.6	24%	0.243	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-46.6	177.2	178.3	-109.6	0	0	0	111.9	E113 V114 T115 F119 Y120 L121	E113-Y117 PolarHBondContact O-N 2.8Å; V114-Y117 PolarHBondContact O-N 2.83Å; T115-Y117 PolarHBondContact O-N 2.84Å; Y117-F119 PolarHBondContact O-N 3.38Å; Y117-Y120 HydrophobicContact CD2-CD1 4.06Å; Y117-Y120 HydrophobicContact CE2-CD1 4.13Å; Y117-Y120 HydrophobicContact CE2-CE1 4.19Å; Y117-Y120 WeakPolarHBondContact O-CB 3.28Å; Y117-Y120 PolarHBondContact O-N 3.29Å; Y117-L121 HydrophobicContact CD1-CD1 3.98Å; Y117-L121 HydrophobicContact CE1-CD1 3.46Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.46Å; Y117-L121 HydrophobicContact CE1-CG 4.14Å; Y117-L121 HydrophobicContact CE2-CD2 4.42Å; Y117-L121 HydrophobicContact CE2-CG 4.4Å; Y117-L121 WeakPolarHBondContact O-CG 3.36Å; Y117-L121 PolarHBondContact O-N 2.94Å
118	Y	98.1	Very high	96.4	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-31.9	177.4	-85.7	-91	0	0	0	113.3	L27 L28 L54 L56 F98 V114 T115 R116 L121 Q122	L27-Y118 HydrophobicContact CB-CE1 4.42Å; L28-Y118 HydrophobicContact CB-CD1 3.93Å; L28-Y118 HydrophobicContact CB-CE1 4.23Å; L28-Y118 HydrophobicContact CD1-CD1 4.02Å; L28-Y118 VanDerWaalsContact CD1-O 3.31Å; L28-Y118 WeakPolarHBondContact CD1-O 3.46Å; L28-Y118 HydrophobicContact CG-CD1 4.29Å; L54-Y118 HydrophobicContact CD1-CE1 4.03Å; L54-Y118 HydrophobicContact CD1-CE2 4.04Å; L54-Y118 HydrophobicContact CD2-CE2 4.32Å; L54-Y118 WeakPolarHBondContact CD2-OH 3.47Å; L56-Y118 HydrophobicContact CD2-CD2 4.38Å; F98-Y118 HydrophobicContact CD1-CD1 4.03Å; F98-Y118 HydrophobicContact CD1-CE1 4.13Å; F98-Y118 AromaticContact CE1-CD1 3.64Å; F98-Y118 HydrophobicContact CE1-CD1 3.64Å; F98-Y118 HydrophobicContact CE1-CE1 4Å; F98-Y118 HydrophobicContact CE1-CG 4.25Å; V114-Y118 HydrophobicContact CG1-CD2 3.93Å; V114-Y118 HydrophobicContact CG1-CE2 4Å; V114-Y118 WeakPolarHBondContact O-CD2 3.37Å; V114-Y118 PolarHBondContact O-N 2.64Å; T115-Y118 PolarHBondContact O-N 3.06Å; R116-Y118 PolarHBondContact O-N 2.93Å; Y118-L121 HydrophobicContact CD1-CD1 4.47Å; Y118-L121 PolarHBondContact O-N 3.33Å; Y118-Q122 PolarHBondContact O-N 2.95Å
119	F	97.9	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-45.4	169.4	-101.2	-95.1	0	0	0	111.7	F61 F62 V100 T104 I110 T115 R116 Y117 L121 Q122 M123 I208	F61-F119 HydrophobicContact CB-CE2 3.48Å; F61-F119 VanDerWaalsContact CB-CE2 3.48Å; F61-F119 HydrophobicContact CB-CZ 3.67Å; F61-F119 HydrophobicContact CD1-CE2 4.32Å; F61-F119 AromaticContact CD1-CZ 3.91Å; F61-F119 HydrophobicContact CD1-CZ 3.91Å; F61-F119 AromaticContact CD2-CE2 3.81Å; F61-F119 HydrophobicContact CD2-CE2 3.81Å; F61-F119 HydrophobicContact CD2-CZ 4.21Å; F61-F119 AromaticContact CG-CE2 3.62Å; F61-F119 HydrophobicContact CG-CE2 3.62Å; F61-F119 AromaticContact CG-CZ 3.68Å; F61-F119 HydrophobicContact CG-CZ 3.68Å; F62-F119 HydrophobicContact CZ-CD2 4.22Å; F62-F119 HydrophobicContact CZ-CE2 4.41Å; V100-F119 HydrophobicContact CG1-CD1 4.29Å; V100-F119 HydrophobicContact CG1-CE1 3.64Å; V100-F119 HydrophobicContact CG1-CE2 4.17Å; V100-F119 HydrophobicContact CG1-CZ 3.58Å; V100-F119 HydrophobicContact CG2-CD1 4.34Å; V100-F119 HydrophobicContact CG2-CD2 4.19Å; V100-F119 HydrophobicContact CG2-CE1 4.44Å; V100-F119 HydrophobicContact CG2-CE2 4.31Å; V100-F119 HydrophobicContact CG2-CG 4.23Å; V100-F119 HydrophobicContact CG2-CZ 4.43Å; T104-F119 HydrophobicContact CG2-CE1 4.06Å; T104-F119 HydrophobicContact CG2-CZ 4.26Å; I110-F119 HydrophobicContact CD1-CB 4.05Å; I110-F119 HydrophobicContact CD1-CD1 3.72Å; I110-F119 HydrophobicContact CD1-CD2 3.84Å; I110-F119 HydrophobicContact CD1-CE1 4.04Å; I110-F119 HydrophobicContact CD1-CE2 4.13Å; I110-F119 HydrophobicContact CD1-CG 3.6Å; I110-F119 HydrophobicContact CD1-CZ 4.23Å; I110-F119 HydrophobicContact CG1-CD2 4.47Å; I110-F119 HydrophobicContact CG1-CE2 4.45Å; T115-F119 HydrophobicContact CG2-CD2 3.78Å; T115-F119 HydrophobicContact CG2-CE2 3.88Å; T115-F119 WeakPolarHBondContact O-CD2 3.4Å; T115-F119 PolarHBondContact O-N 3.18Å; R116-F119 WeakPolarHBondContact O-CB 3.4Å; R116-F119 PolarHBondContact O-N 2.78Å; Y117-F119 PolarHBondContact O-N 3.38Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 2.83Å; F119-Q122 PolarHBondContact O-N 3.43Å; F119-M123 VanDerWaalsContact O-CG 3.31Å; F119-M123 WeakPolarHBondContact O-CG 3.27Å; F119-M123 PolarHBondContact O-N 3.21Å; F119-I208 HydrophobicContact CB-CD1 3.84Å; F119-I208 HydrophobicContact CB-CG1 4.41Å
120	Y	98.1	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-48.3	173.9	149.4	-103.7	0	0	0	111.1	R116 Y117 Q122 M123 R124 S146 V149 Y207	R116-Y120 PolarHBondContact O-N 2.84Å; Y117-Y120 HydrophobicContact CD2-CD1 4.06Å; Y117-Y120 HydrophobicContact CE2-CD1 4.13Å; Y117-Y120 HydrophobicContact CE2-CE1 4.19Å; Y117-Y120 WeakPolarHBondContact O-CB 3.28Å; Y117-Y120 PolarHBondContact O-N 3.29Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 2.91Å; Y120-M123 PolarHBondContact O-N 3.25Å; Y120-R124 HydrophobicContact CE2-CB 4.3Å; Y120-R124 WeakPolarHBondContact O-CB 3.43Å; Y120-R124 PolarHBondContact O-N 3.07Å; Y120-R124 WeakPolarHBondContact OH-CD 3.4Å; Y120-R124 PolarHBondContact OH-NH1 3.06Å; Y120-R124 VanDerWaalsContact OH-NH1 3.11Å; Y120-S146 PolarHBondContact OH-OG 3.35Å; Y120-V149 HydrophobicContact CD1-CG1 4.07Å; Y120-V149 HydrophobicContact CE1-CB 4.42Å; Y120-V149 HydrophobicContact CE1-CG1 3.65Å; Y120-V149 HydrophobicContact CE2-CG2 4.47Å; Y120-Y207 AromaticContact CD2-CD1 3.89Å; Y120-Y207 HydrophobicContact CD2-CD1 3.89Å; Y120-Y207 AromaticContact CD2-CD2 3.98Å; Y120-Y207 HydrophobicContact CD2-CD2 3.98Å; Y120-Y207 HydrophobicContact CD2-CE1 4.35Å; Y120-Y207 HydrophobicContact CD2-CE2 4.42Å; Y120-Y207 AromaticContact CD2-CG 3.72Å; Y120-Y207 HydrophobicContact CD2-CG 3.72Å; Y120-Y207 HydrophobicContact CE2-CD1 4.42Å; Y120-Y207 AromaticContact CE2-CD2 3.81Å; Y120-Y207 HydrophobicContact CE2-CD2 3.81Å; Y120-Y207 HydrophobicContact CE2-CE2 4.01Å; Y120-Y207 HydrophobicContact CE2-CG 4.06Å
121	L	98.2	Very high	96.3	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-41.9	179	-69	177.7	0	0	0	112.3	L28 D29 Y117 Y118 F119 R124 A125	L28-L121 HydrophobicContact CB-CB 3.86Å; L28-L121 HydrophobicContact CB-CD1 4.15Å; D29-L121 HydrophobicContact CB-CD1 3.88Å; Y117-L121 HydrophobicContact CD1-CD1 3.98Å; Y117-L121 HydrophobicContact CE1-CD1 3.46Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.46Å; Y117-L121 HydrophobicContact CE1-CG 4.14Å; Y117-L121 HydrophobicContact CE2-CD2 4.42Å; Y117-L121 HydrophobicContact CE2-CG 4.4Å; Y117-L121 WeakPolarHBondContact O-CG 3.36Å; Y117-L121 PolarHBondContact O-N 2.94Å; Y118-L121 HydrophobicContact CD1-CD1 4.47Å; Y118-L121 PolarHBondContact O-N 3.33Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 2.83Å; L121-R124 PolarHBondContact O-N 2.96Å; L121-A125 WeakPolarHBondContact O-CB 3.5Å; L121-A125 PolarHBondContact O-N 3.45Å
122	Q	97.9	Very high	96.4	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-50.3	174.9	-179.3	70	56.4	0	0	111	L28 V100 Y118 F119 Y120 R124 A125 D126	L28-Q122 HydrophobicContact CD1-CB 3.83Å; V100-Q122 HydrophobicContact CB-CB 4.33Å; V100-Q122 HydrophobicContact CB-CG 3.89Å; V100-Q122 HydrophobicContact CG2-CB 3.71Å; V100-Q122 HydrophobicContact CG2-CG 3.85Å; V100-Q122 VanDerWaalsContact N-OE1 3.16Å; Y118-Q122 PolarHBondContact O-N 2.95Å; F119-Q122 PolarHBondContact O-N 3.43Å; Y120-Q122 VanDerWaalsContact C-N 3.33Å; Y120-Q122 PolarHBondContact O-N 2.91Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.69Å; Q122-A125 PolarHBondContact O-N 3.39Å; Q122-D126 VanDerWaalsContact NE2-CG 3.27Å; Q122-D126 PolarHBondContact NE2-OD1 2.92Å; Q122-D126 PolarHBondContact NE2-OD2 2.9Å; Q122-D126 VanDerWaalsContact O-CG 3.3Å; Q122-D126 PolarHBondContact O-N 3.29Å
123	M	97.6	Very high	96.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-179.1	-65.8	-58.1	94.2	0	0	111.7	H103 F119 Y120 D126 I127 L132 Y207 A211 Y217	H103-M123 WeakPolarHBondContact NE2-CE 3.27Å; F119-M123 VanDerWaalsContact O-CG 3.31Å; F119-M123 WeakPolarHBondContact O-CG 3.27Å; F119-M123 PolarHBondContact O-N 3.21Å; Y120-M123 PolarHBondContact O-N 3.25Å; M123-D126 PolarHBondContact O-N 3Å; M123-I127 WeakPolarHBondContact O-CD1 3.33Å; M123-I127 VanDerWaalsContact O-CG1 3.32Å; M123-I127 WeakPolarHBondContact O-CG1 3.37Å; M123-I127 PolarHBondContact O-N 2.98Å; M123-L132 HydrophobicContact SD-CD1 3.94Å; M123-Y207 HydrophobicContact CB-CD1 4.13Å; M123-Y207 HydrophobicContact CB-CE1 3.78Å; M123-A211 HydrophobicContact CB-CB 3.92Å; M123-A211 HydrophobicContact CG-CB 3.93Å; M123-A211 HydrophobicContact SD-CB 3.99Å; M123-Y217 HydrophobicContact CE-CE2 4.26Å; M123-Y217 HydrophobicContact SD-CD2 3.67Å; M123-Y217 HydrophobicContact SD-CE2 3.37Å; M123-Y217 WeakPolarHBondContact SD-CE2 3.47Å
124	R	97.4	Very high	96.2	Very high	39 Å²	39	25.2 Å²	25.2	15%	0.147	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-48.7	173.6	179.8	176.8	169.8	-162.3	-1.9	111.9	Y120 L121 Q122 D126 I127 L128 S146 E150 Y207	Y120-R124 HydrophobicContact CE2-CB 4.3Å; Y120-R124 WeakPolarHBondContact O-CB 3.43Å; Y120-R124 PolarHBondContact O-N 3.07Å; Y120-R124 WeakPolarHBondContact OH-CD 3.4Å; Y120-R124 PolarHBondContact OH-NH1 3.06Å; Y120-R124 VanDerWaalsContact OH-NH1 3.11Å; L121-R124 PolarHBondContact O-N 2.96Å; Q122-R124 VanDerWaalsContact C-N 3.3Å; Q122-R124 PolarHBondContact O-N 2.69Å; R124-D126 VanDerWaalsContact C-N 3.32Å; R124-D126 PolarHBondContact O-N 3.05Å; R124-I127 PolarHBondContact O-N 3.12Å; R124-L128 HydrophobicContact CG-CD1 3.81Å; R124-L128 HydrophobicContact CG-CG 4.35Å; R124-L128 WeakPolarHBondContact O-CB 3.45Å; R124-L128 VanDerWaalsContact O-CG 3.24Å; R124-L128 WeakPolarHBondContact O-CG 3.5Å; R124-L128 PolarHBondContact O-N 3.11Å; R124-S146 PolarHBondContact NE-OG 3.26Å; R124-E150 IonicContact CZ-OE1 3.23Å; R124-E150 IonicContact NH1-OE1 2.83Å; R124-E150 PolarHBondContact NH1-OE1 2.82Å; R124-Y207 VanDerWaalsContact CA-OH 3.29Å; R124-Y207 WeakPolarHBondContact CA-OH 3.44Å; R124-Y207 HydrophobicContact CB-CE1 4.36Å
125	A	96.3	Very high	96	Very high	30 Å²	30	26.5 Å²	26.5	25%	0.248	13%	0.134	C	C	.	.	H	α-helix	trans	-58	-45.9	177	0	0	0	0	0	111.5	L121 Q122 I127 L128 E129	L121-A125 WeakPolarHBondContact O-CB 3.5Å; L121-A125 PolarHBondContact O-N 3.45Å; Q122-A125 PolarHBondContact O-N 3.39Å; A125-I127 PolarHBondContact O-N 3.41Å; A125-L128 PolarHBondContact O-N 3.09Å; A125-E129 WeakPolarHBondContact O-CB 3.5Å; A125-E129 WeakPolarHBondContact O-CG 3.37Å; A125-E129 PolarHBondContact O-N 2.83Å
126	D	95.8	Very high	95.9	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.064	15%	0.149	C	C	.	.	H	α-helix	trans	-67.3	-34.3	-177.5	-67.2	-26.9	0	0	0	112.9	Q122 M123 R124 G130 R131 L132	Q122-D126 VanDerWaalsContact NE2-CG 3.27Å; Q122-D126 PolarHBondContact NE2-OD1 2.92Å; Q122-D126 PolarHBondContact NE2-OD2 2.9Å; Q122-D126 VanDerWaalsContact O-CG 3.3Å; Q122-D126 PolarHBondContact O-N 3.29Å; M123-D126 PolarHBondContact O-N 3Å; R124-D126 VanDerWaalsContact C-N 3.32Å; R124-D126 PolarHBondContact O-N 3.05Å; D126-G130 PolarHBondContact O-N 3.34Å; D126-R131 HydrophobicContact CB-CB 4.1Å; D126-R131 WeakPolarHBondContact O-CB 3.42Å; D126-R131 PolarHBondContact O-N 3.41Å; D126-R131 WeakPolarHBondContact OD1-CD 3.37Å; D126-R131 IonicContact OD1-NE 3.67Å; D126-L132 HydrophobicContact CB-CD1 4.08Å; D126-L132 HydrophobicContact CB-CG 3.95Å; D126-L132 PolarHBondContact O-N 2.84Å
127	I	96.3	Very high	95.8	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-46.7	172.6	-72.2	157.1	0	0	0	111	M123 R124 A125 E129 G130 L132 V134 L142 P171 Y207 A211	M123-I127 WeakPolarHBondContact O-CD1 3.33Å; M123-I127 VanDerWaalsContact O-CG1 3.32Å; M123-I127 WeakPolarHBondContact O-CG1 3.37Å; M123-I127 PolarHBondContact O-N 2.98Å; R124-I127 PolarHBondContact O-N 3.12Å; A125-I127 PolarHBondContact O-N 3.41Å; I127-E129 PolarHBondContact O-N 3.43Å; I127-G130 PolarHBondContact O-N 3.32Å; I127-G130 VanDerWaalsContact O-N 3.08Å; I127-L132 HydrophobicContact CD1-CD1 4.45Å; I127-L132 HydrophobicContact CG1-CB 3.88Å; I127-L132 HydrophobicContact CG1-CD1 3.98Å; I127-L132 HydrophobicContact CG1-CG 4.47Å; I127-V134 HydrophobicContact CG1-CG1 4.1Å; I127-V134 HydrophobicContact CG2-CG1 4.31Å; I127-V134 HydrophobicContact CG2-CG2 4.16Å; I127-L142 HydrophobicContact CD1-CD1 3.64Å; I127-L142 HydrophobicContact CD1-CD2 4.31Å; I127-L142 HydrophobicContact CD1-CG 4.44Å; I127-P171 HydrophobicContact CG2-CG 3.91Å; I127-Y207 HydrophobicContact CD1-CE1 3.74Å; I127-Y207 VanDerWaalsContact CD1-OH 3.24Å; I127-Y207 WeakPolarHBondContact CD1-OH 3.35Å; I127-A211 HydrophobicContact CD1-CB 4.32Å
128	L	95.5	Very high	95.7	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-36.5	-178.1	-67.6	175.6	0	0	0	112.4	R124 A125 G130 M168	R124-L128 HydrophobicContact CG-CD1 3.81Å; R124-L128 HydrophobicContact CG-CG 4.35Å; R124-L128 WeakPolarHBondContact O-CB 3.45Å; R124-L128 VanDerWaalsContact O-CG 3.24Å; R124-L128 WeakPolarHBondContact O-CG 3.5Å; R124-L128 PolarHBondContact O-N 3.11Å; A125-L128 PolarHBondContact O-N 3.09Å; L128-G130 PolarHBondContact O-N 3.46Å; L128-M168 HydrophobicContact CD1-CG 4Å; L128-M168 WeakPolarHBondContact CD1-O 3.24Å; L128-M168 HydrophobicContact CD1-SD 4.36Å; L128-M168 HydrophobicContact CD2-CG 4.14Å; L128-M168 HydrophobicContact CG-CG 4.47Å
129	E	92.7	Very high	95.7	Very high	99 Å²	99	32.4 Å²	32.4	46%	0.463	17%	0.169	S	C	.	.	H	α-helix	trans	-71.7	-17.8	172.8	-72.7	-175.9	-173.3	0	0	112.7	A125 I127 R131	A125-E129 WeakPolarHBondContact O-CB 3.5Å; A125-E129 WeakPolarHBondContact O-CG 3.37Å; A125-E129 PolarHBondContact O-N 2.83Å; I127-E129 PolarHBondContact O-N 3.43Å; E129-R131 HydrophobicContact CB-CG 4.28Å; E129-R131 IonicContact OE2-CZ 2.61Å; E129-R131 VanDerWaalsContact OE2-CZ 3.23Å; E129-R131 IonicContact OE2-NE 3.69Å; E129-R131 PolarHBondContact OE2-NE 3.47Å; E129-R131 IonicContact OE2-NH2 3.25Å; E129-R131 PolarHBondContact OE2-NH2 3.4Å
130	G	92.1	Very high	95.6	Very high	20 Å²	20	33.2 Å²	33.2	21%	0.206	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	20.4	-177.8	0	0	0	0	0	114.2	D126 I127 L128	D126-G130 PolarHBondContact O-N 3.34Å; I127-G130 PolarHBondContact O-N 3.32Å; I127-G130 VanDerWaalsContact O-N 3.08Å; L128-G130 PolarHBondContact O-N 3.46Å
131	R	92.6	Very high	95.7	Very high	100 Å²	100	36.1 Å²	36.1	38%	0.377	19%	0.189	S	C	.	.	S	Bend	trans	-72.5	-37.6	170.7	-60.8	-172.9	-164.5	-155	-1.7	111.7	D126 E129 Y354	D126-R131 HydrophobicContact CB-CB 4.1Å; D126-R131 WeakPolarHBondContact O-CB 3.42Å; D126-R131 PolarHBondContact O-N 3.41Å; D126-R131 WeakPolarHBondContact OD1-CD 3.37Å; D126-R131 IonicContact OD1-NE 3.67Å; E129-R131 HydrophobicContact CB-CG 4.28Å; E129-R131 IonicContact OE2-CZ 2.61Å; E129-R131 VanDerWaalsContact OE2-CZ 3.23Å; E129-R131 IonicContact OE2-NE 3.69Å; E129-R131 PolarHBondContact OE2-NE 3.47Å; E129-R131 IonicContact OE2-NH2 3.25Å; E129-R131 PolarHBondContact OE2-NH2 3.4Å; R131-Y354 PolarHBondContact O-OH 3.11Å
132	L	94.9	Very high	95.7	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.186	C	C	.	.	S	Bend	trans	-94.3	122.4	171.2	-63.5	-179.4	0	0	0	109.4	M123 D126 I127 V134 A211 C214 G216 Y217	M123-L132 HydrophobicContact SD-CD1 3.94Å; D126-L132 HydrophobicContact CB-CD1 4.08Å; D126-L132 HydrophobicContact CB-CG 3.95Å; D126-L132 PolarHBondContact O-N 2.84Å; I127-L132 HydrophobicContact CD1-CD1 4.45Å; I127-L132 HydrophobicContact CG1-CB 3.88Å; I127-L132 HydrophobicContact CG1-CD1 3.98Å; I127-L132 HydrophobicContact CG1-CG 4.47Å; L132-V134 PolarHBondContact O-N 2.61Å; L132-A211 HydrophobicContact CD1-CB 4.43Å; L132-C214 HydrophobicContact CB-CB 4.31Å; L132-G216 WeakPolarHBondContact CD2-O 3.42Å; L132-Y217 VanDerWaalsContact CD2-N 3.32Å
133	L	92.7	Very high	95.7	Very high	35 Å²	35	35.4 Å²	35.4	18%	0.183	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-79.2	122	176.7	-59.2	-171.6	0	0	0	109.7	E215 M353 Y354	L133-E215 HydrophobicContact CB-CB 4.34Å; L133-E215 PolarHBondContact N-O 3.01Å; L133-M353 HydrophobicContact CD2-CE 3.8Å; L133-Y354 HydrophobicContact CD1-CD2 3.62Å; L133-Y354 HydrophobicContact CD1-CE2 3.26Å; L133-Y354 HydrophobicContact CD2-CE2 4.31Å; L133-Y354 HydrophobicContact CG-CD2 4.25Å; L133-Y354 HydrophobicContact CG-CE2 3.53Å
134	V	95.3	Very high	95.7	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.103	19%	0.186	C	C	.	.			trans	-124.8	140.8	-178.5	-65	0	0	0	0	110.4	I127 L132 A139 L142 P171 C214	I127-V134 HydrophobicContact CG1-CG1 4.1Å; I127-V134 HydrophobicContact CG2-CG1 4.31Å; I127-V134 HydrophobicContact CG2-CG2 4.16Å; L132-V134 PolarHBondContact O-N 2.61Å; V134-A139 HydrophobicContact CG2-CB 3.87Å; V134-L142 HydrophobicContact CG1-CD1 4.05Å; V134-P171 HydrophobicContact CG2-CG 3.83Å; V134-C214 HydrophobicContact CG1-CB 4.36Å
135	S	94.9	Very high	95.8	Very high	57 Å²	57	34.6 Å²	34.6	40%	0.399	18%	0.183	S	C	.	.			trans	-69.9	155.4	167.5	67.2	0	0	0	0	110.2	Q137 K138 A139	S135-Q137 PolarHBondContact O-N 3.18Å; S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 WeakPolarHBondContact OG-CB 3.24Å; S135-K138 PolarHBondContact OG-N 3Å; S135-A139 PolarHBondContact O-N 3.13Å
136	P	93.2	Very high	95.9	Very high	47 Å²	47	33.3 Å²	33.3	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-54.7	-39.2	177.8	-27.4	35.2	0	0	0	113.2	A139 I140 L174	P136-A139 PolarHBondContact O-N 2.78Å; P136-I140 WeakPolarHBondContact O-CD1 3.43Å; P136-I140 VanDerWaalsContact O-CG1 3.3Å; P136-I140 WeakPolarHBondContact O-CG1 3.37Å; P136-I140 PolarHBondContact O-N 2.93Å; P136-L174 HydrophobicContact CG-CD2 4.29Å
137	Q	95.6	Very high	96	Very high	136 Å²	136	32.8 Å²	32.8	64%	0.636	17%	0.17	S	C	*	.	H	α-helix	trans	-66.7	-40.5	177.9	-65.8	73.9	27.4	0	0	112	S135 I140 L141	S135-Q137 PolarHBondContact O-N 3.18Å; Q137-I140 PolarHBondContact O-N 3.23Å; Q137-L141 PolarHBondContact O-N 2.79Å; Q137-L141 VanDerWaalsContact O-N 3.11Å
138	K	97	Very high	96.1	Very high	39 Å²	39	32.7 Å²	32.7	17%	0.17	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-36.6	177.3	-172	167.5	-74.8	-121.5	0	111.1	S135 I140 L141 L142 E210 Q213 C214	S135-K138 PolarHBondContact O-N 3.39Å; S135-K138 WeakPolarHBondContact OG-CB 3.24Å; S135-K138 PolarHBondContact OG-N 3Å; K138-I140 VanDerWaalsContact C-N 3.35Å; K138-I140 PolarHBondContact O-N 2.85Å; K138-L141 PolarHBondContact O-N 3.35Å; K138-L142 HydrophobicContact CG-CD1 3.78Å; K138-L142 HydrophobicContact CG-CG 4.34Å; K138-L142 WeakPolarHBondContact O-CB 3.46Å; K138-L142 WeakPolarHBondContact O-CD1 3.31Å; K138-L142 VanDerWaalsContact O-CG 3.3Å; K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.17Å; K138-E210 WeakPolarHBondContact CE-OE2 3.47Å; K138-E210 PolarHBondContact NZ-O 3.3Å; K138-E210 IonicContact NZ-OE2 2.7Å; K138-E210 PolarHBondContact NZ-OE2 3.15Å; K138-Q213 VanDerWaalsContact NZ-OE1 3.09Å; K138-C214 VanDerWaalsContact CD-SG 3.57Å
139	A	97	Very high	96.2	Very high	2 Å²	2	32 Å²	32	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-43.3	172.7	0	0	0	0	0	112	V134 S135 P136 L142 A143 L170 L174	V134-A139 HydrophobicContact CG2-CB 3.87Å; S135-A139 PolarHBondContact O-N 3.13Å; P136-A139 PolarHBondContact O-N 2.78Å; A139-L142 PolarHBondContact O-N 3.01Å; A139-A143 VanDerWaalsContact O-CB 3.28Å; A139-A143 WeakPolarHBondContact O-CB 3.5Å; A139-A143 PolarHBondContact O-N 3.08Å; A139-L170 HydrophobicContact CB-CD2 4.15Å; A139-L174 HydrophobicContact CB-CD1 3.85Å
140	I	97.6	Very high	96.3	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-45.8	174.9	-69.8	161.6	0	0	0	111.2	P136 Q137 K138 A143 S144 L184 Q187 V188	P136-I140 WeakPolarHBondContact O-CD1 3.43Å; P136-I140 VanDerWaalsContact O-CG1 3.3Å; P136-I140 WeakPolarHBondContact O-CG1 3.37Å; P136-I140 PolarHBondContact O-N 2.93Å; Q137-I140 PolarHBondContact O-N 3.23Å; K138-I140 VanDerWaalsContact C-N 3.35Å; K138-I140 PolarHBondContact O-N 2.85Å; I140-A143 PolarHBondContact O-N 3.41Å; I140-S144 PolarHBondContact O-N 3.48Å; I140-S144 PolarHBondContact O-OG 3.38Å; I140-L184 HydrophobicContact CD1-CD2 3.83Å; I140-L184 HydrophobicContact CG1-CD2 4.23Å; I140-Q187 HydrophobicContact CD1-CB 3.9Å; I140-Q187 HydrophobicContact CG1-CB 4.38Å; I140-Q187 HydrophobicContact CG2-CB 4.01Å; I140-V188 HydrophobicContact CB-CG2 4.25Å; I140-V188 HydrophobicContact CG1-CG2 4.26Å; I140-V188 HydrophobicContact CG2-CG2 4Å
141	L	98.2	Very high	96.5	Very high	61 Å²	61	32.8 Å²	32.8	32%	0.319	16%	0.163	S	C	.	.	H	α-helix	trans	-61.4	-48.9	178.9	179.7	63.5	0	0	0	111.7	Q137 K138 S144 Y145 E210	Q137-L141 PolarHBondContact O-N 2.79Å; Q137-L141 VanDerWaalsContact O-N 3.11Å; K138-L141 PolarHBondContact O-N 3.35Å; L141-S144 VanDerWaalsContact O-CB 3.32Å; L141-S144 WeakPolarHBondContact O-CB 3.19Å; L141-S144 PolarHBondContact O-N 2.79Å; L141-S144 VanDerWaalsContact O-N 3.13Å; L141-Y145 HydrophobicContact CD1-CE1 4.25Å; L141-Y145 HydrophobicContact CD1-CE2 3.84Å; L141-Y145 HydrophobicContact CD2-CE2 4.07Å; L141-Y145 HydrophobicContact CG-CD2 4.22Å; L141-Y145 HydrophobicContact CG-CE2 3.62Å; L141-Y145 PolarHBondContact O-N 3.45Å; L141-E210 HydrophobicContact CD2-CG 4.1Å
142	L	98.4	Very high	96.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178.6	-72.6	160.7	0	0	0	111.4	I127 V134 K138 A139 S144 Y145 S146 Y207 E210	I127-L142 HydrophobicContact CD1-CD1 3.64Å; I127-L142 HydrophobicContact CD1-CD2 4.31Å; I127-L142 HydrophobicContact CD1-CG 4.44Å; V134-L142 HydrophobicContact CG1-CD1 4.05Å; K138-L142 HydrophobicContact CG-CD1 3.78Å; K138-L142 HydrophobicContact CG-CG 4.34Å; K138-L142 WeakPolarHBondContact O-CB 3.46Å; K138-L142 WeakPolarHBondContact O-CD1 3.31Å; K138-L142 VanDerWaalsContact O-CG 3.3Å; K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.17Å; A139-L142 PolarHBondContact O-N 3.01Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 3.29Å; L142-Y145 PolarHBondContact O-N 2.85Å; L142-S146 PolarHBondContact O-N 3.31Å; L142-Y207 HydrophobicContact CB-CD2 4.37Å; L142-Y207 HydrophobicContact CB-CE2 3.81Å; L142-Y207 HydrophobicContact CD2-CD1 3.91Å; L142-Y207 HydrophobicContact CD2-CD2 3.96Å; L142-Y207 HydrophobicContact CD2-CE1 3.89Å; L142-Y207 HydrophobicContact CD2-CE2 3.96Å; L142-Y207 HydrophobicContact CD2-CG 3.9Å; L142-Y207 WeakPolarHBondContact O-CD2 3.43Å; L142-Y207 WeakPolarHBondContact O-CE2 3.32Å; L142-E210 HydrophobicContact CD2-CB 3.78Å; L142-E210 HydrophobicContact CG-CB 4.47Å
143	A	98.1	Very high	96.8	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-38.2	173.9	0	0	0	0	0	112	A139 I140 S146 L147 L169 L170 V188	A139-A143 VanDerWaalsContact O-CB 3.28Å; A139-A143 WeakPolarHBondContact O-CB 3.5Å; A139-A143 PolarHBondContact O-N 3.08Å; I140-A143 PolarHBondContact O-N 3.41Å; A143-S146 WeakPolarHBondContact O-CB 3.49Å; A143-S146 PolarHBondContact O-N 3.27Å; A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.13Å; A143-L169 HydrophobicContact CB-CB 4.3Å; A143-L170 HydrophobicContact CB-CD2 4.26Å; A143-V188 HydrophobicContact CB-CB 4.49Å; A143-V188 HydrophobicContact CB-CG1 3.86Å; A143-V188 HydrophobicContact CB-CG2 3.72Å
144	S	98.4	Very high	97	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.8	-53.2	0	0	0	0	111.7	I140 L141 L142 S146 L147 Q148 V188 L195	I140-S144 PolarHBondContact O-N 3.48Å; I140-S144 PolarHBondContact O-OG 3.38Å; L141-S144 VanDerWaalsContact O-CB 3.32Å; L141-S144 WeakPolarHBondContact O-CB 3.19Å; L141-S144 PolarHBondContact O-N 2.79Å; L141-S144 VanDerWaalsContact O-N 3.13Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 3.29Å; S144-S146 VanDerWaalsContact C-N 3.33Å; S144-S146 PolarHBondContact O-N 3.11Å; S144-L147 PolarHBondContact O-N 3.49Å; S144-Q148 PolarHBondContact O-N 3Å; S144-Q148 VanDerWaalsContact O-N 3.13Å; S144-V188 PolarHBondContact OG-O 3.45Å; S144-V188 VanDerWaalsContact OG-O 3.13Å; S144-L195 WeakPolarHBondContact O-CD1 3.4Å
145	Y	98.6	Very high	97	Very high	21 Å²	21	34.7 Å²	34.7	8%	0.082	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-40.9	173	-66.8	-38.8	0	0	0	111.8	L141 L142 L147 Q148 V149 L195 L206 E210	L141-Y145 HydrophobicContact CD1-CE1 4.25Å; L141-Y145 HydrophobicContact CD1-CE2 3.84Å; L141-Y145 HydrophobicContact CD2-CE2 4.07Å; L141-Y145 HydrophobicContact CG-CD2 4.22Å; L141-Y145 HydrophobicContact CG-CE2 3.62Å; L141-Y145 PolarHBondContact O-N 3.45Å; L142-Y145 PolarHBondContact O-N 2.85Å; Y145-L147 VanDerWaalsContact C-N 3.29Å; Y145-L147 PolarHBondContact O-N 3.17Å; Y145-Q148 PolarHBondContact O-N 3.43Å; Y145-Q148 VanDerWaalsContact O-N 3.17Å; Y145-V149 WeakPolarHBondContact O-CG2 3.4Å; Y145-V149 PolarHBondContact O-N 3.24Å; Y145-L195 HydrophobicContact CD1-CD1 3.59Å; Y145-L195 HydrophobicContact CD1-CD2 4.09Å; Y145-L195 HydrophobicContact CE1-CD1 4.07Å; Y145-L195 HydrophobicContact CE1-CD2 3.7Å; Y145-L206 HydrophobicContact CD1-CB 4.39Å; Y145-L206 HydrophobicContact CD2-CB 4.28Å; Y145-L206 HydrophobicContact CE1-CB 4.07Å; Y145-L206 HydrophobicContact CE1-CD1 3.87Å; Y145-L206 HydrophobicContact CE2-CB 3.91Å; Y145-E210 HydrophobicContact CE2-CG 3.96Å
146	S	98.2	Very high	96.9	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-39.8	176.8	-171.2	0	0	0	0	112.1	Y120 R124 L142 A143 S144 V149 E150	Y120-S146 PolarHBondContact OH-OG 3.35Å; R124-S146 PolarHBondContact NE-OG 3.26Å; L142-S146 PolarHBondContact O-N 3.31Å; A143-S146 WeakPolarHBondContact O-CB 3.49Å; A143-S146 PolarHBondContact O-N 3.27Å; S144-S146 VanDerWaalsContact C-N 3.33Å; S144-S146 PolarHBondContact O-N 3.11Å; S146-V149 PolarHBondContact O-N 3.3Å; S146-E150 VanDerWaalsContact O-CG 3.25Å; S146-E150 WeakPolarHBondContact O-CG 3.45Å; S146-E150 PolarHBondContact O-N 3.08Å; S146-E150 VanDerWaalsContact O-N 3.08Å
147	L	98.1	Very high	96.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-40.5	175.8	-68.9	178.5	0	0	0	111.8	A143 S144 Y145 V149 E150 F151 F164 L169 V188 Y192	A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.13Å; S144-L147 PolarHBondContact O-N 3.49Å; Y145-L147 VanDerWaalsContact C-N 3.29Å; Y145-L147 PolarHBondContact O-N 3.17Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 3.01Å; L147-E150 PolarHBondContact O-N 3.33Å; L147-F151 HydrophobicContact CB-CD2 4.49Å; L147-F151 HydrophobicContact CD2-CD2 3.86Å; L147-F151 HydrophobicContact CD2-CE2 3.68Å; L147-F151 WeakPolarHBondContact O-CB 3.47Å; L147-F151 PolarHBondContact O-N 2.85Å; L147-F164 HydrophobicContact CD1-CD2 4.05Å; L147-F164 HydrophobicContact CD1-CE2 3.66Å; L147-F164 HydrophobicContact CD1-CZ 3.93Å; L147-F164 HydrophobicContact CD2-CD1 4.01Å; L147-F164 HydrophobicContact CD2-CE1 3.57Å; L147-F164 HydrophobicContact CD2-CE2 4.2Å; L147-F164 HydrophobicContact CD2-CZ 3.67Å; L147-F164 HydrophobicContact CG-CZ 4.39Å; L147-L169 HydrophobicContact CD1-CD1 4.39Å; L147-L169 HydrophobicContact CD2-CD1 4.21Å; L147-L169 HydrophobicContact CD2-CD2 3.7Å; L147-L169 HydrophobicContact CG-CD2 4.19Å; L147-V188 HydrophobicContact CD1-CG1 3.59Å; L147-V188 HydrophobicContact CG-CG1 4.49Å; L147-Y192 HydrophobicContact CB-CD1 3.73Å; L147-Y192 HydrophobicContact CB-CD2 3.97Å; L147-Y192 HydrophobicContact CB-CE1 3.84Å; L147-Y192 HydrophobicContact CB-CE2 4.07Å; L147-Y192 HydrophobicContact CB-CG 3.84Å; L147-Y192 HydrophobicContact CD1-CD1 3.61Å; L147-Y192 HydrophobicContact CD1-CE1 4.24Å; L147-Y192 HydrophobicContact CD1-CG 4.08Å; L147-Y192 HydrophobicContact CG-CD1 4.31Å
148	Q	98.3	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-36.3	174.6	-169.7	72.3	17.6	0	0	112	S144 Y145 G152 D153 Y192 L195 L198 A203	S144-Q148 PolarHBondContact O-N 3Å; S144-Q148 VanDerWaalsContact O-N 3.13Å; Y145-Q148 PolarHBondContact O-N 3.43Å; Y145-Q148 VanDerWaalsContact O-N 3.17Å; Q148-G152 VanDerWaalsContact O-CA 3.3Å; Q148-G152 WeakPolarHBondContact O-CA 3.37Å; Q148-G152 PolarHBondContact O-N 2.84Å; Q148-G152 PolarHBondContact OE1-O 3.45Å; Q148-D153 PolarHBondContact NE2-OD1 3.46Å; Q148-Y192 HydrophobicContact CB-CD2 4.38Å; Q148-Y192 HydrophobicContact CB-CE2 4.21Å; Q148-L195 HydrophobicContact CB-CD1 4.07Å; Q148-L195 HydrophobicContact CG-CB 4.32Å; Q148-L195 PolarHBondContact NE2-O 3.03Å; Q148-L198 HydrophobicContact CG-CB 4.35Å; Q148-L198 HydrophobicContact CG-CD2 4.38Å; Q148-L198 PolarHBondContact NE2-O 2.62Å; Q148-A203 HydrophobicContact CB-CB 4.03Å; Q148-A203 HydrophobicContact CG-CB 3.92Å
149	V	98	Very high	96.7	Very high	4 Å²	4	44 Å²	44	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-44.7	176.4	173.2	0	0	0	0	111.6	Y120 Y145 S146 L147 Q200 A203 E204	Y120-V149 HydrophobicContact CD1-CG1 4.07Å; Y120-V149 HydrophobicContact CE1-CB 4.42Å; Y120-V149 HydrophobicContact CE1-CG1 3.65Å; Y120-V149 HydrophobicContact CE2-CG2 4.47Å; Y145-V149 WeakPolarHBondContact O-CG2 3.4Å; Y145-V149 PolarHBondContact O-N 3.24Å; S146-V149 PolarHBondContact O-N 3.3Å; L147-V149 VanDerWaalsContact C-N 3.29Å; L147-V149 PolarHBondContact O-N 3.01Å; V149-Q200 HydrophobicContact CG1-CG 4.14Å; V149-A203 HydrophobicContact CG2-CB 3.66Å; V149-E204 HydrophobicContact CG1-CG 4.01Å; V149-E204 HydrophobicContact CG2-CG 3.81Å
150	E	95.7	Very high	96.5	Very high	75 Å²	75	45.9 Å²	45.9	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-81.2	-34.7	-173	-64.7	-72.4	-170.7	0	0	113.6	R124 S146 L147	R124-E150 IonicContact CZ-OE1 3.23Å; R124-E150 IonicContact NH1-OE1 2.83Å; R124-E150 PolarHBondContact NH1-OE1 2.82Å; S146-E150 VanDerWaalsContact O-CG 3.25Å; S146-E150 WeakPolarHBondContact O-CG 3.45Å; S146-E150 PolarHBondContact O-N 3.08Å; S146-E150 VanDerWaalsContact O-N 3.08Å; L147-E150 PolarHBondContact O-N 3.33Å
151	F	96.3	Very high	96.2	Very high	62 Å²	62	46 Å²	46	27%	0.272	22%	0.222	S	C	.	.	H	α-helix	trans	-118.6	-9.3	-170.7	-61	-71.2	0	0	0	114.6	L147 H159 F164 W167 Y192	L147-F151 HydrophobicContact CB-CD2 4.49Å; L147-F151 HydrophobicContact CD2-CD2 3.86Å; L147-F151 HydrophobicContact CD2-CE2 3.68Å; L147-F151 WeakPolarHBondContact O-CB 3.47Å; L147-F151 PolarHBondContact O-N 2.85Å; F151-H159 AromaticContact CG-NE2 3.92Å; F151-F164 HydrophobicContact CD2-CE1 4.29Å; F151-F164 HydrophobicContact CD2-CZ 4.45Å; F151-F164 AromaticContact CE2-CE1 3.65Å; F151-F164 HydrophobicContact CE2-CE1 3.65Å; F151-F164 HydrophobicContact CE2-CZ 4.25Å; F151-F164 HydrophobicContact CZ-CE1 4.09Å; F151-W167 AromaticContact CE1-CH2 3.93Å; F151-W167 HydrophobicContact CE1-CH2 3.93Å; F151-W167 HydrophobicContact CE1-CZ2 4.29Å; F151-W167 HydrophobicContact CE1-CZ3 4.5Å; F151-W167 HydrophobicContact CE2-CE3 4.22Å; F151-W167 HydrophobicContact CE2-CH2 4.03Å; F151-W167 AromaticContact CE2-CZ3 3.82Å; F151-W167 HydrophobicContact CE2-CZ3 3.82Å; F151-W167 HydrophobicContact CZ-CD2 4.47Å; F151-W167 HydrophobicContact CZ-CE3 4.11Å; F151-W167 AromaticContact CZ-CH2 3.2Å; F151-W167 HydrophobicContact CZ-CH2 3.2Å; F151-W167 AromaticContact CZ-CZ2 3.57Å; F151-W167 HydrophobicContact CZ-CZ2 3.57Å; F151-W167 AromaticContact CZ-CZ3 3.48Å; F151-W167 HydrophobicContact CZ-CZ3 3.48Å; F151-W167 VanDerWaalsContact CZ-CZ3 3.48Å; F151-Y192 WeakPolarHBondContact CB-OH 3.4Å
152	G	96.6	Very high	96	Very high	28 Å²	28	48.7 Å²	48.7	29%	0.289	23%	0.234	S	C	.	.			trans	68	-145.1	-170.3	0	0	0	0	0	111.3	Q148 Y192	Q148-G152 VanDerWaalsContact O-CA 3.3Å; Q148-G152 WeakPolarHBondContact O-CA 3.37Å; Q148-G152 PolarHBondContact O-N 2.84Å; Q148-G152 PolarHBondContact OE1-O 3.45Å; G152-Y192 WeakPolarHBondContact O-CE2 3.3Å; G152-Y192 VanDerWaalsContact O-CZ 3.29Å; G152-Y192 PolarHBondContact O-OH 3.29Å
153	D	97.3	Very high	95.7	Very high	76 Å²	76	51.7 Å²	51.7	41%	0.406	25%	0.252	S	S	.	.	S	Bend	trans	-64.5	147.1	-175.3	-74.9	-18.3	0	0	0	113.9	Q148 Y192 G197	Q148-D153 PolarHBondContact NE2-OD1 3.46Å; D153-Y192 PolarHBondContact O-OH 3.46Å; D153-G197 PolarHBondContact OD1-N 3.43Å; D153-G197 PolarHBondContact OD2-N 3.43Å
154	F	96.4	Very high	95.5	Very high	38 Å²	38	51.6 Å²	51.6	17%	0.167	25%	0.251	C	S	.	.			trans	-63.4	134.6	-179.6	176.3	-87.9	0	0	0	113	E156 H159 I189 Y192 K193	F154-E156 VanDerWaalsContact CE1-CA 3.4Å; F154-E156 HydrophobicContact CE1-CB 3.82Å; F154-E156 VanDerWaalsContact CE1-N 3.3Å; F154-E156 HydrophobicContact CZ-CB 4.32Å; F154-H159 HydrophobicContact CD2-CB 3.76Å; F154-H159 HydrophobicContact CE2-CB 3.47Å; F154-H159 VanDerWaalsContact CE2-CB 3.47Å; F154-H159 WeakPolarHBondContact CE2-O 3.47Å; F154-H159 HydrophobicContact CZ-CB 4.25Å; F154-I189 HydrophobicContact CD2-CG2 4.47Å; F154-I189 HydrophobicContact CE2-CG2 3.62Å; F154-I189 HydrophobicContact CZ-CG2 4.08Å; F154-Y192 HydrophobicContact CB-CD1 4.33Å; F154-Y192 HydrophobicContact CB-CD2 4.46Å; F154-Y192 HydrophobicContact CB-CE1 4.17Å; F154-Y192 HydrophobicContact CB-CE2 4.3Å; F154-Y192 HydrophobicContact CB-CG 4.44Å; F154-Y192 AromaticContact CD2-CD1 3.55Å; F154-Y192 HydrophobicContact CD2-CD1 3.55Å; F154-Y192 AromaticContact CD2-CE1 3.73Å; F154-Y192 HydrophobicContact CD2-CE1 3.73Å; F154-Y192 HydrophobicContact CD2-CG 4.21Å; F154-Y192 HydrophobicContact CE2-CD1 4.41Å; F154-Y192 HydrophobicContact CG-CD1 4.42Å; F154-Y192 HydrophobicContact CG-CE1 4.44Å; F154-K193 HydrophobicContact CB-CG 4.4Å; F154-K193 HydrophobicContact CD1-CD 4.31Å; F154-K193 HydrophobicContact CD1-CG 3.51Å; F154-K193 HydrophobicContact CD2-CG 3.88Å; F154-K193 HydrophobicContact CE1-CD 4.01Å; F154-K193 HydrophobicContact CE1-CG 3.68Å; F154-K193 HydrophobicContact CE2-CG 4.03Å; F154-K193 HydrophobicContact CG-CG 3.63Å; F154-K193 HydrophobicContact CZ-CD 4.17Å; F154-K193 HydrophobicContact CZ-CG 3.94Å
155	D	95.1	Very high	95.1	Very high	55 Å²	55	56.7 Å²	56.7	29%	0.294	27%	0.27	S	S	.	.			trans	-123	120.2	171.4	178.7	-11.2	0	0	0	109.8	F157 R158 H159	D155-F157 PolarHBondContact O-N 2.97Å; D155-F157 PolarHBondContact OD1-N 3.17Å; D155-R158 HydrophobicContact CB-CB 4.2Å; D155-R158 HydrophobicContact CB-CG 4.44Å; D155-R158 PolarHBondContact O-N 3.42Å; D155-R158 WeakPolarHBondContact OD2-CD 3.43Å; D155-R158 WeakPolarHBondContact OD2-CG 3.45Å; D155-H159 PolarHBondContact N-ND1 2.9Å; D155-H159 VanDerWaalsContact O-CB 3.29Å; D155-H159 WeakPolarHBondContact O-CB 3.37Å; D155-H159 PolarHBondContact O-N 3.45Å
156	E	93.6	Very high	94.6	Very high	124 Å²	124	62.8 Å²	62.8	58%	0.579	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.3	-176.6	-171.3	149.3	-119.9	0	0	114	F154 K193	F154-E156 VanDerWaalsContact CE1-CA 3.4Å; F154-E156 HydrophobicContact CE1-CB 3.82Å; F154-E156 VanDerWaalsContact CE1-N 3.3Å; F154-E156 HydrophobicContact CZ-CB 4.32Å; E156-K193 IonicContact OE1-NZ 2.95Å; E156-K193 PolarHBondContact OE1-NZ 3.29Å
157	F	92.7	Very high	94.2	Very high	186 Å²	186	67.7 Å²	67.7	82%	0.816	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.2	-179	-60.1	-73.7	0	0	0	112.8	D155	D155-F157 PolarHBondContact O-N 2.97Å; D155-F157 PolarHBondContact OD1-N 3.17Å
158	R	92.9	Very high	93.9	Very high	156 Å²	156	73.2 Å²	73.2	59%	0.589	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-31.8	-175.6	-64.1	177.2	65	-155.9	-4.4	113.1	D155	D155-R158 HydrophobicContact CB-CB 4.2Å; D155-R158 HydrophobicContact CB-CG 4.44Å; D155-R158 PolarHBondContact O-N 3.42Å; D155-R158 WeakPolarHBondContact OD2-CD 3.43Å; D155-R158 WeakPolarHBondContact OD2-CG 3.45Å
159	H	94.5	Very high	93.7	Very high	7 Å²	7	73.9 Å²	73.9	3%	0.032	35%	0.352	C	S	.	.	S	Bend	trans	-106.9	67.3	-169.2	-59.2	154.9	0	0	0	111	F151 F154 D155 F164 Y192	F151-H159 AromaticContact CG-NE2 3.92Å; F154-H159 HydrophobicContact CD2-CB 3.76Å; F154-H159 HydrophobicContact CE2-CB 3.47Å; F154-H159 VanDerWaalsContact CE2-CB 3.47Å; F154-H159 WeakPolarHBondContact CE2-O 3.47Å; F154-H159 HydrophobicContact CZ-CB 4.25Å; D155-H159 PolarHBondContact N-ND1 2.9Å; D155-H159 VanDerWaalsContact O-CB 3.29Å; D155-H159 WeakPolarHBondContact O-CB 3.37Å; D155-H159 PolarHBondContact O-N 3.45Å; H159-F164 HydrophobicContact CB-CE2 3.69Å; H159-F164 HydrophobicContact CB-CZ 3.7Å; H159-F164 AromaticContact CD2-CZ 3.83Å; H159-F164 AromaticContact CG-CZ 3.84Å; H159-Y192 HydrophobicContact CB-CE1 4.18Å; H159-Y192 PolarHBondContact CE1-OH 3.32Å; H159-Y192 AromaticContact CG-CE1 3.85Å; H159-Y192 AromaticContact ND1-CE1 3.38Å; H159-Y192 WeakPolarHBondContact ND1-CE1 3.35Å; H159-Y192 AromaticContact ND1-CZ 3.74Å; H159-Y192 PolarHBondContact ND1-OH 3.26Å
160	T	92.9	Very high	93.5	Very high	42 Å²	42	74 Å²	74	26%	0.258	35%	0.353	S	S	.	.			trans	-97.3	167.1	-179.8	80.5	0	0	0	0	112.3	E162 V163 F164	T160-E162 WeakPolarHBondContact CB-OE2 3.34Å; T160-E162 PolarHBondContact O-N 3.03Å; T160-E162 PolarHBondContact OG1-N 3.48Å; T160-E162 PolarHBondContact OG1-OE2 3.2Å; T160-V163 PolarHBondContact O-N 3.47Å; T160-V163 PolarHBondContact OG1-N 3.26Å; T160-F164 PolarHBondContact O-N 2.92Å
161	V	92.8	Very high	93.4	Very high	19 Å²	19	70.4 Å²	70.4	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-36.1	178.2	177	0	0	0	0	110.9	F164 R165 E182 I185 R186 I189	V161-F164 PolarHBondContact O-N 3.17Å; V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 3.33Å; V161-E182 HydrophobicContact CG1-CB 4.39Å; V161-E182 HydrophobicContact CG1-CG 4.36Å; V161-I185 HydrophobicContact CB-CG2 4.28Å; V161-I185 HydrophobicContact CG1-CB 4.36Å; V161-I185 HydrophobicContact CG1-CG2 3.97Å; V161-I185 HydrophobicContact CG2-CG2 4.3Å; V161-R186 HydrophobicContact CG2-CG 3.66Å; V161-I189 HydrophobicContact CB-CD1 4.39Å; V161-I189 HydrophobicContact CG2-CD1 3.64Å
162	E	92.5	Very high	93	Very high	119 Å²	119	74.2 Å²	74.2	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-64.9	-41.8	-179.8	-58.6	70.4	-151.4	0	0	110.8	T160	T160-E162 WeakPolarHBondContact CB-OE2 3.34Å; T160-E162 PolarHBondContact O-N 3.03Å; T160-E162 PolarHBondContact OG1-N 3.48Å; T160-E162 PolarHBondContact OG1-OE2 3.2Å
163	V	92.8	Very high	92.6	Very high	64 Å²	64	75.9 Å²	75.9	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-47.7	177	175.4	0	0	0	0	110.6	T160 R165 W167	T160-V163 PolarHBondContact O-N 3.47Å; T160-V163 PolarHBondContact OG1-N 3.26Å; V163-R165 VanDerWaalsContact C-N 3.3Å; V163-R165 PolarHBondContact O-N 2.96Å; V163-W167 PolarHBondContact O-NE1 2.94Å
164	F	94.2	Very high	92.2	Very high	1 Å²	1	73.7 Å²	73.7	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-79.8	-6.9	-175.8	-66.5	-35.2	0	0	0	114.9	L147 F151 H159 T160 V161 D166 W167 L169 I185 I189 Y192	L147-F164 HydrophobicContact CD1-CD2 4.05Å; L147-F164 HydrophobicContact CD1-CE2 3.66Å; L147-F164 HydrophobicContact CD1-CZ 3.93Å; L147-F164 HydrophobicContact CD2-CD1 4.01Å; L147-F164 HydrophobicContact CD2-CE1 3.57Å; L147-F164 HydrophobicContact CD2-CE2 4.2Å; L147-F164 HydrophobicContact CD2-CZ 3.67Å; L147-F164 HydrophobicContact CG-CZ 4.39Å; F151-F164 HydrophobicContact CD2-CE1 4.29Å; F151-F164 HydrophobicContact CD2-CZ 4.45Å; F151-F164 AromaticContact CE2-CE1 3.65Å; F151-F164 HydrophobicContact CE2-CE1 3.65Å; F151-F164 HydrophobicContact CE2-CZ 4.25Å; F151-F164 HydrophobicContact CZ-CE1 4.09Å; H159-F164 HydrophobicContact CB-CE2 3.69Å; H159-F164 HydrophobicContact CB-CZ 3.7Å; H159-F164 AromaticContact CD2-CZ 3.83Å; H159-F164 AromaticContact CG-CZ 3.84Å; T160-F164 PolarHBondContact O-N 2.92Å; V161-F164 PolarHBondContact O-N 3.17Å; F164-D166 VanDerWaalsContact C-N 3.27Å; F164-D166 PolarHBondContact O-N 2.92Å; F164-W167 HydrophobicContact CD1-CD2 4.5Å; F164-W167 HydrophobicContact CD1-CG 4.25Å; F164-W167 PolarHBondContact O-N 2.9Å; F164-L169 HydrophobicContact CB-CD1 3.8Å; F164-L169 HydrophobicContact CD1-CD1 4.43Å; F164-L169 HydrophobicContact CG-CD1 4.1Å; F164-I185 HydrophobicContact CB-CG2 3.92Å; F164-I189 HydrophobicContact CD2-CD1 4.02Å; F164-I189 HydrophobicContact CD2-CG1 3.88Å; F164-I189 HydrophobicContact CE2-CG1 4.12Å; F164-Y192 HydrophobicContact CE2-CD1 4.39Å; F164-Y192 HydrophobicContact CE2-CE1 4.47Å; F164-Y192 HydrophobicContact CZ-CE1 4.29Å
165	R	89.5	Confident	91.7	Very high	108 Å²	108	74.5 Å²	74.5	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-38.8	175.6	-174.8	-177.5	-61.6	-160.8	-2.1	112.6	V161 V163 W167 E182	V161-R165 WeakPolarHBondContact O-CB 3.46Å; V161-R165 PolarHBondContact O-N 3.33Å; V163-R165 VanDerWaalsContact C-N 3.3Å; V163-R165 PolarHBondContact O-N 2.96Å; R165-W167 VanDerWaalsContact C-N 3.28Å; R165-E182 IonicContact CZ-OE1 3.69Å; R165-E182 VanDerWaalsContact CZ-OE1 3.25Å; R165-E182 IonicContact NH1-OE1 3.89Å; R165-E182 VanDerWaalsContact NH2-CD 3.3Å; R165-E182 IonicContact NH2-OE1 2.81Å; R165-E182 PolarHBondContact NH2-OE1 2.67Å
166	D	88	Confident	91.3	Very high	148 Å²	148	79.8 Å²	79.8	79%	0.791	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.6	-178.1	-62.1	-29.7	0	0	0	112.6	F164	F164-D166 VanDerWaalsContact C-N 3.27Å; F164-D166 PolarHBondContact O-N 2.92Å
167	W	91	Very high	91	Very high	108 Å²	108	75.2 Å²	75.2	41%	0.409	35%	0.354	S	S	.	.	S	Bend	trans	-91	137.6	-178.9	-73.9	58.9	0	0	0	111.5	F151 V163 F164 R165 L169	F151-W167 AromaticContact CE1-CH2 3.93Å; F151-W167 HydrophobicContact CE1-CH2 3.93Å; F151-W167 HydrophobicContact CE1-CZ2 4.29Å; F151-W167 HydrophobicContact CE1-CZ3 4.5Å; F151-W167 HydrophobicContact CE2-CE3 4.22Å; F151-W167 HydrophobicContact CE2-CH2 4.03Å; F151-W167 AromaticContact CE2-CZ3 3.82Å; F151-W167 HydrophobicContact CE2-CZ3 3.82Å; F151-W167 HydrophobicContact CZ-CD2 4.47Å; F151-W167 HydrophobicContact CZ-CE3 4.11Å; F151-W167 AromaticContact CZ-CH2 3.2Å; F151-W167 HydrophobicContact CZ-CH2 3.2Å; F151-W167 AromaticContact CZ-CZ2 3.57Å; F151-W167 HydrophobicContact CZ-CZ2 3.57Å; F151-W167 AromaticContact CZ-CZ3 3.48Å; F151-W167 HydrophobicContact CZ-CZ3 3.48Å; F151-W167 VanDerWaalsContact CZ-CZ3 3.48Å; V163-W167 PolarHBondContact O-NE1 2.94Å; F164-W167 HydrophobicContact CD1-CD2 4.5Å; F164-W167 HydrophobicContact CD1-CG 4.25Å; F164-W167 PolarHBondContact O-N 2.9Å; R165-W167 VanDerWaalsContact C-N 3.28Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 HydrophobicContact CB-CD1 4.31Å; W167-L169 HydrophobicContact CB-CD2 4.38Å; W167-L169 HydrophobicContact CB-CG 3.92Å; W167-L169 PolarHBondContact O-N 3.4Å
168	M	91.5	Very high	90.8	Very high	117 Å²	117	70.3 Å²	70.3	58%	0.576	34%	0.341	S	S	*	.			trans	-79.1	81.1	174.8	-162.9	174.8	-62.1	0	0	110.4	L128	L128-M168 HydrophobicContact CD1-CG 4Å; L128-M168 WeakPolarHBondContact CD1-O 3.24Å; L128-M168 HydrophobicContact CD1-SD 4.36Å; L128-M168 HydrophobicContact CD2-CG 4.14Å; L128-M168 HydrophobicContact CG-CG 4.47Å
169	L	92.9	Very high	90.6	Very high	14 Å²	14	69 Å²	69	7%	0.073	34%	0.341	C	S	.	.			trans	-99.8	-28.1	-178.4	-65	177.3	0	0	0	113.8	A143 L147 F164 W167	A143-L169 HydrophobicContact CB-CB 4.3Å; L147-L169 HydrophobicContact CD1-CD1 4.39Å; L147-L169 HydrophobicContact CD2-CD1 4.21Å; L147-L169 HydrophobicContact CD2-CD2 3.7Å; L147-L169 HydrophobicContact CG-CD2 4.19Å; F164-L169 HydrophobicContact CB-CD1 3.8Å; F164-L169 HydrophobicContact CD1-CD1 4.43Å; F164-L169 HydrophobicContact CG-CD1 4.1Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 HydrophobicContact CB-CD1 4.31Å; W167-L169 HydrophobicContact CB-CD2 4.38Å; W167-L169 HydrophobicContact CB-CG 3.92Å; W167-L169 PolarHBondContact O-N 3.4Å
170	L	94.7	Very high	90.5	Very high	6 Å²	6	73 Å²	73	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-123.1	148.8	-171	-66.1	164.9	0	0	0	110.7	A139 A143 T175 L181 L184 V188	A139-L170 HydrophobicContact CB-CD2 4.15Å; A143-L170 HydrophobicContact CB-CD2 4.26Å; L170-T175 HydrophobicContact CB-CG2 4.12Å; L170-L181 HydrophobicContact CD1-CD1 3.98Å; L170-L184 HydrophobicContact CD1-CB 3.61Å; L170-L184 HydrophobicContact CD1-CD1 4.08Å; L170-L184 HydrophobicContact CD1-CG 4.49Å; L170-V188 HydrophobicContact CD2-CG2 4.39Å
171	P	93.4	Very high	90.4	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.006	36%	0.357	C	S	.	.			trans	-53.7	140.7	173.9	-25.5	32.4	0	0	0	112.5	I127 V134 H173 L174	I127-P171 HydrophobicContact CG2-CG 3.91Å; V134-P171 HydrophobicContact CG2-CG 3.83Å; P171-H173 WeakPolarHBondContact CB-CE1 3.29Å; P171-H173 WeakPolarHBondContact CB-ND1 3.24Å; P171-H173 PolarHBondContact O-N 3.06Å; P171-L174 HydrophobicContact CG-CD1 4.46Å; P171-L174 PolarHBondContact O-N 3.17Å
172	K	88.3	Confident	90.4	Very high	141 Å²	141	73.8 Å²	73.8	61%	0.613	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-52.5	-35.5	-175	-64.8	179.4	-177.3	174.4	0	113.9	L174 T175	K172-L174 VanDerWaalsContact C-N 3.26Å; K172-L174 PolarHBondContact O-N 2.93Å; K172-T175 WeakPolarHBondContact CA-OG1 3.28Å; K172-T175 PolarHBondContact O-N 3.09Å; K172-T175 VanDerWaalsContact O-N 3.12Å; K172-T175 PolarHBondContact O-OG1 2.96Å
173	H	87.4	Confident	90.5	Very high	64 Å²	64	72.1 Å²	72.1	30%	0.296	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-67.4	-22.2	-180	69.5	-91.8	0	0	0	113.8	P171 Q176	P171-H173 WeakPolarHBondContact CB-CE1 3.29Å; P171-H173 WeakPolarHBondContact CB-ND1 3.24Å; P171-H173 PolarHBondContact O-N 3.06Å; H173-Q176 WeakPolarHBondContact O-CG 3.11Å
174	L	88.2	Confident	90.6	Very high	30 Å²	30	69.9 Å²	69.9	16%	0.157	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-86.9	-14.3	173.9	-60.4	-177.4	0	0	0	112.8	P136 A139 P171 K172 L184	P136-L174 HydrophobicContact CG-CD2 4.29Å; A139-L174 HydrophobicContact CB-CD1 3.85Å; P171-L174 HydrophobicContact CG-CD1 4.46Å; P171-L174 PolarHBondContact O-N 3.17Å; K172-L174 VanDerWaalsContact C-N 3.26Å; K172-L174 PolarHBondContact O-N 2.93Å; L174-L184 HydrophobicContact CB-CD1 4.09Å
175	T	86.6	Confident	90.7	Very high	54 Å²	54	70 Å²	70	33%	0.331	34%	0.343	S	S	.	.			trans	-92.5	13.5	-175.2	66.3	0	0	0	0	114.1	L170 K172 S177 L181	L170-T175 HydrophobicContact CB-CG2 4.12Å; K172-T175 WeakPolarHBondContact CA-OG1 3.28Å; K172-T175 PolarHBondContact O-N 3.09Å; K172-T175 VanDerWaalsContact O-N 3.12Å; K172-T175 PolarHBondContact O-OG1 2.96Å; T175-S177 VanDerWaalsContact C-N 3.34Å; T175-S177 PolarHBondContact O-N 3.37Å; T175-L181 HydrophobicContact CG2-CD1 3.97Å
176	Q	86.1	Confident	91.1	Very high	166 Å²	166	69.7 Å²	69.7	78%	0.776	34%	0.342	S	S	*	.	S	Bend	trans	-68.6	-26.2	-170.3	-68.2	179.6	1.1	0	0	114.7	H173	H173-Q176 WeakPolarHBondContact O-CG 3.11Å
177	S	88.3	Confident	91.5	Very high	29 Å²	29	67 Å²	67	20%	0.203	33%	0.325	C	S	.	.	S	Bend	trans	-124.5	137.8	176.2	72.5	0	0	0	0	111.2	T175 Q179 I180 L181	T175-S177 VanDerWaalsContact C-N 3.34Å; T175-S177 PolarHBondContact O-N 3.37Å; S177-Q179 VanDerWaalsContact C-N 3.33Å; S177-Q179 PolarHBondContact O-N 3.29Å; S177-I180 PolarHBondContact O-N 2.9Å; S177-I180 WeakPolarHBondContact OG-CB 3.32Å; S177-I180 WeakPolarHBondContact OG-CD1 3.42Å; S177-I180 WeakPolarHBondContact OG-CG1 3.35Å; S177-I180 PolarHBondContact OG-N 3.23Å; S177-L181 WeakPolarHBondContact O-CB 3.24Å; S177-L181 PolarHBondContact O-N 3.33Å
178	P	88	Confident	91.9	Very high	83 Å²	83	61.9 Å²	61.9	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-34.9	-176.1	25.1	-32.6	0	0	0	112.2	L181 E182	P178-L181 PolarHBondContact O-N 3.29Å; P178-E182 WeakPolarHBondContact O-CG 3.15Å; P178-E182 PolarHBondContact O-N 3.45Å
179	Q	90	Very high	92.2	Very high	129 Å²	129	57 Å²	57	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-47	178.6	-60.7	84.3	5.6	0	0	111.7	S177 L181 E182 D183	S177-Q179 VanDerWaalsContact C-N 3.33Å; S177-Q179 PolarHBondContact O-N 3.29Å; Q179-L181 VanDerWaalsContact C-N 3.29Å; Q179-L181 PolarHBondContact O-N 2.8Å; Q179-E182 PolarHBondContact O-N 3.42Å; Q179-D183 PolarHBondContact O-N 3.1Å; Q179-D183 VanDerWaalsContact O-N 3.12Å
180	I	90.7	Very high	92.4	Very high	91 Å²	91	61.9 Å²	61.9	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-39.4	177	-62.7	175.1	0	0	0	110	S177 E182 D183 L184	S177-I180 PolarHBondContact O-N 2.9Å; S177-I180 WeakPolarHBondContact OG-CB 3.32Å; S177-I180 WeakPolarHBondContact OG-CD1 3.42Å; S177-I180 WeakPolarHBondContact OG-CG1 3.35Å; S177-I180 PolarHBondContact OG-N 3.23Å; I180-E182 PolarHBondContact O-N 2.93Å; I180-D183 PolarHBondContact O-N 3.48Å; I180-L184 HydrophobicContact CG2-CD1 3.87Å; I180-L184 HydrophobicContact CG2-CG 4.1Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 VanDerWaalsContact O-CG 3.25Å; I180-L184 WeakPolarHBondContact O-CG 3.47Å; I180-L184 PolarHBondContact O-N 2.96Å
181	L	92.3	Very high	92.5	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-47.5	176.8	178.2	58.4	0	0	0	111.7	L170 T175 S177 P178 Q179 D183 L184 I185	L170-L181 HydrophobicContact CD1-CD1 3.98Å; T175-L181 HydrophobicContact CG2-CD1 3.97Å; S177-L181 WeakPolarHBondContact O-CB 3.24Å; S177-L181 PolarHBondContact O-N 3.33Å; P178-L181 PolarHBondContact O-N 3.29Å; Q179-L181 VanDerWaalsContact C-N 3.29Å; Q179-L181 PolarHBondContact O-N 2.8Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 2.78Å; L181-L184 PolarHBondContact O-N 3.39Å; L181-I185 HydrophobicContact CD1-CD1 3.89Å; L181-I185 HydrophobicContact CD1-CG1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 3.07Å
182	E	93.1	Very high	92.7	Very high	47 Å²	47	62.4 Å²	62.4	22%	0.22	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-42.5	176.7	-71.8	-176.8	-169	0	0	112.4	V161 R165 P178 Q179 I180 L184 I185 R186	V161-E182 HydrophobicContact CG1-CB 4.39Å; V161-E182 HydrophobicContact CG1-CG 4.36Å; R165-E182 IonicContact CZ-OE1 3.69Å; R165-E182 VanDerWaalsContact CZ-OE1 3.25Å; R165-E182 IonicContact NH1-OE1 3.89Å; R165-E182 VanDerWaalsContact NH2-CD 3.3Å; R165-E182 IonicContact NH2-OE1 2.81Å; R165-E182 PolarHBondContact NH2-OE1 2.67Å; P178-E182 WeakPolarHBondContact O-CG 3.15Å; P178-E182 PolarHBondContact O-N 3.45Å; Q179-E182 PolarHBondContact O-N 3.42Å; I180-E182 PolarHBondContact O-N 2.93Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.35Å; E182-I185 PolarHBondContact O-N 3.41Å; E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.49Å; E182-R186 PolarHBondContact O-N 2.98Å; E182-R186 IonicContact OE2-CZ 3.53Å; E182-R186 IonicContact OE2-NH1 2.67Å; E182-R186 IonicContact OE2-NH2 2.92Å; E182-R186 PolarHBondContact OE2-NH2 3.4Å
183	D	94.1	Very high	93.2	Very high	84 Å²	84	59.4 Å²	59.4	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-36.2	177.9	-74.1	-25.1	0	0	0	112.7	Q179 I180 L181 R186 Q187	Q179-D183 PolarHBondContact O-N 3.1Å; Q179-D183 VanDerWaalsContact O-N 3.12Å; I180-D183 PolarHBondContact O-N 3.48Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-D183 PolarHBondContact O-N 2.78Å; D183-R186 IonicContact OD1-CZ 2.67Å; D183-R186 IonicContact OD1-NH1 3.6Å; D183-R186 PolarHBondContact OD1-NH1 3.05Å; D183-Q187 WeakPolarHBondContact O-CG 3.49Å; D183-Q187 PolarHBondContact O-N 3.44Å; D183-Q187 PolarHBondContact O-NE2 3.25Å
184	L	95.5	Very high	93.7	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-43.3	173.1	-68.1	174.8	0	0	0	111	I140 L170 L174 I180 L181 E182 R186 Q187 V188	I140-L184 HydrophobicContact CD1-CD2 3.83Å; I140-L184 HydrophobicContact CG1-CD2 4.23Å; L170-L184 HydrophobicContact CD1-CB 3.61Å; L170-L184 HydrophobicContact CD1-CD1 4.08Å; L170-L184 HydrophobicContact CD1-CG 4.49Å; L174-L184 HydrophobicContact CB-CD1 4.09Å; I180-L184 HydrophobicContact CG2-CD1 3.87Å; I180-L184 HydrophobicContact CG2-CG 4.1Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 VanDerWaalsContact O-CG 3.25Å; I180-L184 WeakPolarHBondContact O-CG 3.47Å; I180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 3.39Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.35Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.42Å; L184-Q187 WeakPolarHBondContact O-CB 3.42Å; L184-Q187 PolarHBondContact O-N 2.99Å; L184-Q187 VanDerWaalsContact O-N 3.11Å; L184-V188 WeakPolarHBondContact O-CG2 3.46Å; L184-V188 PolarHBondContact O-N 3.33Å
185	I	96.3	Very high	94.1	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-40.6	176.5	-68.9	167.3	0	0	0	110.8	V161 F164 L181 E182 Q187 V188 I189	V161-I185 HydrophobicContact CB-CG2 4.28Å; V161-I185 HydrophobicContact CG1-CB 4.36Å; V161-I185 HydrophobicContact CG1-CG2 3.97Å; V161-I185 HydrophobicContact CG2-CG2 4.3Å; F164-I185 HydrophobicContact CB-CG2 3.92Å; L181-I185 HydrophobicContact CD1-CD1 3.89Å; L181-I185 HydrophobicContact CD1-CG1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.85Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.38Å; L181-I185 PolarHBondContact O-N 3.07Å; E182-I185 PolarHBondContact O-N 3.41Å; I185-Q187 VanDerWaalsContact C-N 3.29Å; I185-Q187 PolarHBondContact O-N 3.12Å; I185-V188 WeakPolarHBondContact O-CB 3.49Å; I185-V188 PolarHBondContact O-N 3.43Å; I185-V188 VanDerWaalsContact O-N 3.17Å; I185-I189 HydrophobicContact CG2-CD1 3.97Å; I185-I189 HydrophobicContact CG2-CG1 4.42Å; I185-I189 WeakPolarHBondContact O-CG1 3.32Å; I185-I189 PolarHBondContact O-N 2.88Å
186	R	96.6	Very high	94.6	Very high	101 Å²	101	64.7 Å²	64.7	38%	0.381	33%	0.332	S	S	.	.	H	α-helix	trans	-57.6	-43.2	173.3	-72.7	172.9	-169.6	109.3	12	111.4	V161 E182 D183 L184 I189 L190	V161-R186 HydrophobicContact CG2-CG 3.66Å; E182-R186 VanDerWaalsContact O-CG 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.49Å; E182-R186 PolarHBondContact O-N 2.98Å; E182-R186 IonicContact OE2-CZ 3.53Å; E182-R186 IonicContact OE2-NH1 2.67Å; E182-R186 IonicContact OE2-NH2 2.92Å; E182-R186 PolarHBondContact OE2-NH2 3.4Å; D183-R186 IonicContact OD1-CZ 2.67Å; D183-R186 IonicContact OD1-NH1 3.6Å; D183-R186 PolarHBondContact OD1-NH1 3.05Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.42Å; R186-I189 PolarHBondContact O-N 3.29Å; R186-L190 WeakPolarHBondContact O-CG 3.49Å; R186-L190 PolarHBondContact O-N 3.28Å
187	Q	97.3	Very high	95.1	Very high	92 Å²	92	59.6 Å²	59.6	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-66.9	-38.6	176.1	-71.3	175.3	78.2	0	0	112.6	I140 D183 L184 I185 I189 L190 G191	I140-Q187 HydrophobicContact CD1-CB 3.9Å; I140-Q187 HydrophobicContact CG1-CB 4.38Å; I140-Q187 HydrophobicContact CG2-CB 4.01Å; D183-Q187 WeakPolarHBondContact O-CG 3.49Å; D183-Q187 PolarHBondContact O-N 3.44Å; D183-Q187 PolarHBondContact O-NE2 3.25Å; L184-Q187 WeakPolarHBondContact O-CB 3.42Å; L184-Q187 PolarHBondContact O-N 2.99Å; L184-Q187 VanDerWaalsContact O-N 3.11Å; I185-Q187 VanDerWaalsContact C-N 3.29Å; I185-Q187 PolarHBondContact O-N 3.12Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; Q187-L190 PolarHBondContact O-N 2.87Å; Q187-G191 PolarHBondContact O-N 3.26Å
188	V	97.9	Very high	95.6	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-44.4	172.9	171.5	0	0	0	0	110.6	I140 A143 S144 L147 L170 L184 I185 L190 G191 Y192	I140-V188 HydrophobicContact CB-CG2 4.25Å; I140-V188 HydrophobicContact CG1-CG2 4.26Å; I140-V188 HydrophobicContact CG2-CG2 4Å; A143-V188 HydrophobicContact CB-CB 4.49Å; A143-V188 HydrophobicContact CB-CG1 3.86Å; A143-V188 HydrophobicContact CB-CG2 3.72Å; S144-V188 PolarHBondContact OG-O 3.45Å; S144-V188 VanDerWaalsContact OG-O 3.13Å; L147-V188 HydrophobicContact CD1-CG1 3.59Å; L147-V188 HydrophobicContact CG-CG1 4.49Å; L170-V188 HydrophobicContact CD2-CG2 4.39Å; L184-V188 WeakPolarHBondContact O-CG2 3.46Å; L184-V188 PolarHBondContact O-N 3.33Å; I185-V188 WeakPolarHBondContact O-CB 3.49Å; I185-V188 PolarHBondContact O-N 3.43Å; I185-V188 VanDerWaalsContact O-N 3.17Å; V188-L190 VanDerWaalsContact C-N 3.35Å; V188-L190 PolarHBondContact O-N 3.3Å; V188-G191 PolarHBondContact O-N 3.47Å; V188-Y192 VanDerWaalsContact O-CB 3.28Å; V188-Y192 WeakPolarHBondContact O-CB 3.36Å; V188-Y192 PolarHBondContact O-N 2.7Å
189	I	97.7	Very high	96	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-40.9	176.9	-71.5	168.7	0	0	0	111.3	F154 V161 F164 I185 R186 Q187 Y192 K193	F154-I189 HydrophobicContact CD2-CG2 4.47Å; F154-I189 HydrophobicContact CE2-CG2 3.62Å; F154-I189 HydrophobicContact CZ-CG2 4.08Å; V161-I189 HydrophobicContact CB-CD1 4.39Å; V161-I189 HydrophobicContact CG2-CD1 3.64Å; F164-I189 HydrophobicContact CD2-CD1 4.02Å; F164-I189 HydrophobicContact CD2-CG1 3.88Å; F164-I189 HydrophobicContact CE2-CG1 4.12Å; I185-I189 HydrophobicContact CG2-CD1 3.97Å; I185-I189 HydrophobicContact CG2-CG1 4.42Å; I185-I189 WeakPolarHBondContact O-CG1 3.32Å; I185-I189 PolarHBondContact O-N 2.88Å; R186-I189 PolarHBondContact O-N 3.29Å; Q187-I189 VanDerWaalsContact C-N 3.34Å; I189-Y192 PolarHBondContact O-N 3.43Å; I189-K193 HydrophobicContact CG2-CD 4.4Å; I189-K193 HydrophobicContact CG2-CG 4.49Å; I189-K193 WeakPolarHBondContact O-CB 3.35Å; I189-K193 WeakPolarHBondContact O-CG 3.32Å; I189-K193 PolarHBondContact O-N 2.89Å
190	L	97.7	Very high	96.4	Very high	115 Å²	115	56.4 Å²	56.4	60%	0.602	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-41.7	175.1	-69.9	173.7	0	0	0	112	R186 Q187 V188 S194	R186-L190 WeakPolarHBondContact O-CG 3.49Å; R186-L190 PolarHBondContact O-N 3.28Å; Q187-L190 PolarHBondContact O-N 2.87Å; V188-L190 VanDerWaalsContact C-N 3.35Å; V188-L190 PolarHBondContact O-N 3.3Å; L190-S194 PolarHBondContact O-N 2.94Å
191	G	97.3	Very high	96.7	Very high	19 Å²	19	58.4 Å²	58.4	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-47.8	172.7	0	0	0	0	0	111.2	Q187 V188 K193 S194 L195	Q187-G191 PolarHBondContact O-N 3.26Å; V188-G191 PolarHBondContact O-N 3.47Å; G191-K193 PolarHBondContact O-N 3.19Å; G191-S194 WeakPolarHBondContact O-CB 3.3Å; G191-S194 PolarHBondContact O-N 2.91Å; G191-S194 PolarHBondContact O-OG 3.11Å; G191-L195 WeakPolarHBondContact O-CG 3.31Å
192	Y	98.1	Very high	96.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-43.9	178.8	-178.7	-153.9	0	0	0	112.6	L147 Q148 F151 G152 D153 F154 H159 F164 V188 I189 S194 L195	L147-Y192 HydrophobicContact CB-CD1 3.73Å; L147-Y192 HydrophobicContact CB-CD2 3.97Å; L147-Y192 HydrophobicContact CB-CE1 3.84Å; L147-Y192 HydrophobicContact CB-CE2 4.07Å; L147-Y192 HydrophobicContact CB-CG 3.84Å; L147-Y192 HydrophobicContact CD1-CD1 3.61Å; L147-Y192 HydrophobicContact CD1-CE1 4.24Å; L147-Y192 HydrophobicContact CD1-CG 4.08Å; L147-Y192 HydrophobicContact CG-CD1 4.31Å; Q148-Y192 HydrophobicContact CB-CD2 4.38Å; Q148-Y192 HydrophobicContact CB-CE2 4.21Å; F151-Y192 WeakPolarHBondContact CB-OH 3.4Å; G152-Y192 WeakPolarHBondContact O-CE2 3.3Å; G152-Y192 VanDerWaalsContact O-CZ 3.29Å; G152-Y192 PolarHBondContact O-OH 3.29Å; D153-Y192 PolarHBondContact O-OH 3.46Å; F154-Y192 HydrophobicContact CB-CD1 4.33Å; F154-Y192 HydrophobicContact CB-CD2 4.46Å; F154-Y192 HydrophobicContact CB-CE1 4.17Å; F154-Y192 HydrophobicContact CB-CE2 4.3Å; F154-Y192 HydrophobicContact CB-CG 4.44Å; F154-Y192 AromaticContact CD2-CD1 3.55Å; F154-Y192 HydrophobicContact CD2-CD1 3.55Å; F154-Y192 AromaticContact CD2-CE1 3.73Å; F154-Y192 HydrophobicContact CD2-CE1 3.73Å; F154-Y192 HydrophobicContact CD2-CG 4.21Å; F154-Y192 HydrophobicContact CE2-CD1 4.41Å; F154-Y192 HydrophobicContact CG-CD1 4.42Å; F154-Y192 HydrophobicContact CG-CE1 4.44Å; H159-Y192 HydrophobicContact CB-CE1 4.18Å; H159-Y192 PolarHBondContact CE1-OH 3.32Å; H159-Y192 AromaticContact CG-CE1 3.85Å; H159-Y192 AromaticContact ND1-CE1 3.38Å; H159-Y192 WeakPolarHBondContact ND1-CE1 3.35Å; H159-Y192 AromaticContact ND1-CZ 3.74Å; H159-Y192 PolarHBondContact ND1-OH 3.26Å; F164-Y192 HydrophobicContact CE2-CD1 4.39Å; F164-Y192 HydrophobicContact CE2-CE1 4.47Å; F164-Y192 HydrophobicContact CZ-CE1 4.29Å; V188-Y192 VanDerWaalsContact O-CB 3.28Å; V188-Y192 WeakPolarHBondContact O-CB 3.36Å; V188-Y192 PolarHBondContact O-N 2.7Å; I189-Y192 PolarHBondContact O-N 3.43Å; Y192-S194 PolarHBondContact O-N 3.05Å; Y192-L195 WeakPolarHBondContact O-CB 3.49Å; Y192-L195 PolarHBondContact O-N 3.48Å
193	K	97.5	Very high	97.2	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-53.9	-34.5	171.7	-78.5	-179.8	173.5	-164	0	112.5	F154 E156 I189 G191 L195	F154-K193 HydrophobicContact CB-CG 4.4Å; F154-K193 HydrophobicContact CD1-CD 4.31Å; F154-K193 HydrophobicContact CD1-CG 3.51Å; F154-K193 HydrophobicContact CD2-CG 3.88Å; F154-K193 HydrophobicContact CE1-CD 4.01Å; F154-K193 HydrophobicContact CE1-CG 3.68Å; F154-K193 HydrophobicContact CE2-CG 4.03Å; F154-K193 HydrophobicContact CG-CG 3.63Å; F154-K193 HydrophobicContact CZ-CD 4.17Å; F154-K193 HydrophobicContact CZ-CG 3.94Å; E156-K193 IonicContact OE1-NZ 2.95Å; E156-K193 PolarHBondContact OE1-NZ 3.29Å; I189-K193 HydrophobicContact CG2-CD 4.4Å; I189-K193 HydrophobicContact CG2-CG 4.49Å; I189-K193 WeakPolarHBondContact O-CB 3.35Å; I189-K193 WeakPolarHBondContact O-CG 3.32Å; I189-K193 PolarHBondContact O-N 2.89Å; G191-K193 PolarHBondContact O-N 3.19Å; K193-L195 VanDerWaalsContact C-N 3.28Å; K193-L195 PolarHBondContact O-N 3.38Å
194	S	97.5	Very high	97.4	Very high	89 Å²	89	54.8 Å²	54.8	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.1	-179.1	79.1	0	0	0	0	114.7	L190 G191 Y192	L190-S194 PolarHBondContact O-N 2.94Å; G191-S194 WeakPolarHBondContact O-CB 3.3Å; G191-S194 PolarHBondContact O-N 2.91Å; G191-S194 PolarHBondContact O-OG 3.11Å; Y192-S194 PolarHBondContact O-N 3.05Å
195	L	97.7	Very high	97.5	Very high	22 Å²	22	55.4 Å²	55.4	12%	0.115	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.9	-178.4	-58.6	177	0	0	0	113.4	S144 Y145 Q148 G191 Y192 K193 G197 L198	S144-L195 WeakPolarHBondContact O-CD1 3.4Å; Y145-L195 HydrophobicContact CD1-CD1 3.59Å; Y145-L195 HydrophobicContact CD1-CD2 4.09Å; Y145-L195 HydrophobicContact CE1-CD1 4.07Å; Y145-L195 HydrophobicContact CE1-CD2 3.7Å; Q148-L195 HydrophobicContact CB-CD1 4.07Å; Q148-L195 HydrophobicContact CG-CB 4.32Å; Q148-L195 PolarHBondContact NE2-O 3.03Å; G191-L195 WeakPolarHBondContact O-CG 3.31Å; Y192-L195 WeakPolarHBondContact O-CB 3.49Å; Y192-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact C-N 3.28Å; K193-L195 PolarHBondContact O-N 3.38Å; L195-G197 PolarHBondContact O-N 3.18Å; L195-L198 HydrophobicContact CB-CB 4.45Å; L195-L198 HydrophobicContact CB-CD2 4.44Å; L195-L198 HydrophobicContact CD2-CD2 4.18Å; L195-L198 WeakPolarHBondContact O-CB 3.31Å; L195-L198 PolarHBondContact O-N 3.27Å
196	Q	96.9	Very high	97.5	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	131.2	-178.7	-172.7	178.9	6.5	0	0	112.2	L198	Q196-L198 VanDerWaalsContact C-N 3.28Å
197	G	97.3	Very high	97.6	Very high	58 Å²	58	53.3 Å²	53.3	60%	0.598	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.9	-177.5	0	0	0	0	0	114.4	D153 L195 P199	D153-G197 PolarHBondContact OD1-N 3.43Å; D153-G197 PolarHBondContact OD2-N 3.43Å; L195-G197 PolarHBondContact O-N 3.18Å; G197-P199 WeakPolarHBondContact O-CD 3.47Å
198	L	98	Very high	97.7	Very high	27 Å²	27	49 Å²	49	14%	0.141	26%	0.264	C	S	.	.			trans	-75.5	118.5	172.7	-173	74.1	0	0	0	109.5	Q148 L195 Q196 Q202 A203 L206	Q148-L198 HydrophobicContact CG-CB 4.35Å; Q148-L198 HydrophobicContact CG-CD2 4.38Å; Q148-L198 PolarHBondContact NE2-O 2.62Å; L195-L198 HydrophobicContact CB-CB 4.45Å; L195-L198 HydrophobicContact CB-CD2 4.44Å; L195-L198 HydrophobicContact CD2-CD2 4.18Å; L195-L198 WeakPolarHBondContact O-CB 3.31Å; L195-L198 PolarHBondContact O-N 3.27Å; Q196-L198 VanDerWaalsContact C-N 3.28Å; L198-Q202 HydrophobicContact CD1-CB 4.01Å; L198-Q202 VanDerWaalsContact CD1-CD 3.47Å; L198-Q202 HydrophobicContact CD1-CG 3.73Å; L198-Q202 HydrophobicContact CG-CB 4.39Å; L198-A203 HydrophobicContact CD2-CB 3.83Å; L198-A203 HydrophobicContact CG-CB 4.45Å; L198-L206 HydrophobicContact CD1-CD1 4.2Å; L198-L206 HydrophobicContact CD2-CD1 3.92Å
199	P	97.4	Very high	97.6	Very high	49 Å²	49	50.8 Å²	50.8	32%	0.318	28%	0.276	S	S	.	.			trans	-69.6	150.4	-179.8	29.6	-34.8	0	0	0	111.3	G197 W201 Q202 A203	G197-P199 WeakPolarHBondContact O-CD 3.47Å; P199-W201 VanDerWaalsContact C-N 3.34Å; P199-W201 HydrophobicContact CG-CZ2 4.22Å; P199-W201 PolarHBondContact O-N 3.42Å; P199-Q202 HydrophobicContact CG-CB 3.79Å; P199-Q202 WeakPolarHBondContact O-CB 3.48Å; P199-Q202 PolarHBondContact O-N 2.92Å; P199-A203 PolarHBondContact O-N 3Å; P199-A203 VanDerWaalsContact O-N 3.07Å
200	Q	97.3	Very high	97.6	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-48.9	-50.8	-177.6	176.5	179.6	-18.4	0	0	112.9	V149 Q202 A203 E204	V149-Q200 HydrophobicContact CG1-CG 4.14Å; Q200-Q202 PolarHBondContact O-N 3.37Å; Q200-Q202 VanDerWaalsContact O-N 3.17Å; Q200-A203 WeakPolarHBondContact O-CB 3.17Å; Q200-A203 PolarHBondContact O-N 3.46Å; Q200-E204 PolarHBondContact NE2-OE1 3.47Å; Q200-E204 WeakPolarHBondContact O-CG 3.05Å; Q200-E204 PolarHBondContact O-N 3.36Å
201	W	96.3	Very high	97.6	Very high	133 Å²	133	46.4 Å²	46.4	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-31	-179.1	70	-93.5	0	0	0	113.2	P199 L205	P199-W201 VanDerWaalsContact C-N 3.34Å; P199-W201 HydrophobicContact CG-CZ2 4.22Å; P199-W201 PolarHBondContact O-N 3.42Å; W201-L205 HydrophobicContact CE3-CD1 3.57Å; W201-L205 HydrophobicContact CE3-CG 4.42Å; W201-L205 HydrophobicContact CZ3-CD1 3.46Å; W201-L205 VanDerWaalsContact CZ3-CD1 3.46Å; W201-L205 WeakPolarHBondContact O-CG 3.49Å; W201-L205 PolarHBondContact O-N 2.75Å
202	Q	97.7	Very high	97.5	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.36	25%	0.251	S	S	.	.	H	α-helix	trans	-79.6	-35.5	178.2	-168.4	175.7	-1	0	0	110.9	L198 P199 Q200 E204 L205 L206	L198-Q202 HydrophobicContact CD1-CB 4.01Å; L198-Q202 VanDerWaalsContact CD1-CD 3.47Å; L198-Q202 HydrophobicContact CD1-CG 3.73Å; L198-Q202 HydrophobicContact CG-CB 4.39Å; P199-Q202 HydrophobicContact CG-CB 3.79Å; P199-Q202 WeakPolarHBondContact O-CB 3.48Å; P199-Q202 PolarHBondContact O-N 2.92Å; Q200-Q202 PolarHBondContact O-N 3.37Å; Q200-Q202 VanDerWaalsContact O-N 3.17Å; Q202-E204 VanDerWaalsContact C-N 3.33Å; Q202-L205 PolarHBondContact O-N 3.13Å; Q202-L206 WeakPolarHBondContact O-CB 3.37Å; Q202-L206 VanDerWaalsContact O-CG 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.15Å; Q202-L206 PolarHBondContact O-N 2.9Å
203	A	98.3	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-40.2	170.6	0	0	0	0	0	111.7	Q148 V149 L198 P199 Q200 L206 Y207	Q148-A203 HydrophobicContact CB-CB 4.03Å; Q148-A203 HydrophobicContact CG-CB 3.92Å; V149-A203 HydrophobicContact CG2-CB 3.66Å; L198-A203 HydrophobicContact CD2-CB 3.83Å; L198-A203 HydrophobicContact CG-CB 4.45Å; P199-A203 PolarHBondContact O-N 3Å; P199-A203 VanDerWaalsContact O-N 3.07Å; Q200-A203 WeakPolarHBondContact O-CB 3.17Å; Q200-A203 PolarHBondContact O-N 3.46Å; A203-L206 PolarHBondContact O-N 2.86Å; A203-Y207 WeakPolarHBondContact O-CB 3.47Å; A203-Y207 PolarHBondContact O-N 3.22Å
204	E	98	Very high	97.3	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-49.4	172	-66.5	163.9	-175.7	0	0	111.5	R116 V149 Q200 Q202 L206 Y207 I208	R116-E204 HydrophobicContact CG-CB 4.01Å; R116-E204 IonicContact CZ-OE2 3.2Å; R116-E204 IonicContact NE-OE2 3.68Å; R116-E204 PolarHBondContact NE-OE2 2.9Å; R116-E204 IonicContact NH2-OE2 3.84Å; V149-E204 HydrophobicContact CG1-CG 4.01Å; V149-E204 HydrophobicContact CG2-CG 3.81Å; Q200-E204 PolarHBondContact NE2-OE1 3.47Å; Q200-E204 WeakPolarHBondContact O-CG 3.05Å; Q200-E204 PolarHBondContact O-N 3.36Å; Q202-E204 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 2.99Å; E204-Y207 WeakPolarHBondContact O-CB 3.33Å; E204-Y207 PolarHBondContact O-N 2.8Å; E204-I208 WeakPolarHBondContact O-CD1 3.5Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.45Å; E204-I208 PolarHBondContact O-N 2.86Å
205	L	97.6	Very high	97.1	Very high	29 Å²	29	49.4 Å²	49.4	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-45	178.2	-74.7	175.8	0	0	0	112.3	V107 R116 W201 Q202 I208 S209	V107-L205 HydrophobicContact CG2-CD2 3.61Å; R116-L205 VanDerWaalsContact CD-CD2 3.44Å; R116-L205 HydrophobicContact CG-CD2 4.34Å; W201-L205 HydrophobicContact CE3-CD1 3.57Å; W201-L205 HydrophobicContact CE3-CG 4.42Å; W201-L205 HydrophobicContact CZ3-CD1 3.46Å; W201-L205 VanDerWaalsContact CZ3-CD1 3.46Å; W201-L205 WeakPolarHBondContact O-CG 3.49Å; W201-L205 PolarHBondContact O-N 2.75Å; Q202-L205 PolarHBondContact O-N 3.13Å; L205-I208 PolarHBondContact O-N 2.84Å; L205-S209 VanDerWaalsContact O-CB 3.32Å; L205-S209 WeakPolarHBondContact O-CB 3.25Å; L205-S209 PolarHBondContact O-N 2.96Å
206	L	98.1	Very high	96.8	Very high	56 Å²	56	48.7 Å²	48.7	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-40	178.5	-71.5	174.6	0	0	0	111.4	Y145 L198 Q202 A203 E204 S209 E210	Y145-L206 HydrophobicContact CD1-CB 4.39Å; Y145-L206 HydrophobicContact CD2-CB 4.28Å; Y145-L206 HydrophobicContact CE1-CB 4.07Å; Y145-L206 HydrophobicContact CE1-CD1 3.87Å; Y145-L206 HydrophobicContact CE2-CB 3.91Å; L198-L206 HydrophobicContact CD1-CD1 4.2Å; L198-L206 HydrophobicContact CD2-CD1 3.92Å; Q202-L206 WeakPolarHBondContact O-CB 3.37Å; Q202-L206 VanDerWaalsContact O-CG 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.15Å; Q202-L206 PolarHBondContact O-N 2.9Å; A203-L206 PolarHBondContact O-N 2.86Å; E204-L206 PolarHBondContact O-N 2.99Å; L206-S209 PolarHBondContact O-N 2.95Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.41Å; L206-E210 PolarHBondContact O-N 3.38Å
207	Y	98.5	Very high	96.8	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-51.6	174.4	-167.3	-69.3	0	0	0	111	Y120 M123 R124 I127 L142 A203 E204 S209 E210 A211	Y120-Y207 AromaticContact CD2-CD1 3.89Å; Y120-Y207 HydrophobicContact CD2-CD1 3.89Å; Y120-Y207 AromaticContact CD2-CD2 3.98Å; Y120-Y207 HydrophobicContact CD2-CD2 3.98Å; Y120-Y207 HydrophobicContact CD2-CE1 4.35Å; Y120-Y207 HydrophobicContact CD2-CE2 4.42Å; Y120-Y207 AromaticContact CD2-CG 3.72Å; Y120-Y207 HydrophobicContact CD2-CG 3.72Å; Y120-Y207 HydrophobicContact CE2-CD1 4.42Å; Y120-Y207 AromaticContact CE2-CD2 3.81Å; Y120-Y207 HydrophobicContact CE2-CD2 3.81Å; Y120-Y207 HydrophobicContact CE2-CE2 4.01Å; Y120-Y207 HydrophobicContact CE2-CG 4.06Å; M123-Y207 HydrophobicContact CB-CD1 4.13Å; M123-Y207 HydrophobicContact CB-CE1 3.78Å; R124-Y207 VanDerWaalsContact CA-OH 3.29Å; R124-Y207 WeakPolarHBondContact CA-OH 3.44Å; R124-Y207 HydrophobicContact CB-CE1 4.36Å; I127-Y207 HydrophobicContact CD1-CE1 3.74Å; I127-Y207 VanDerWaalsContact CD1-OH 3.24Å; I127-Y207 WeakPolarHBondContact CD1-OH 3.35Å; L142-Y207 HydrophobicContact CB-CD2 4.37Å; L142-Y207 HydrophobicContact CB-CE2 3.81Å; L142-Y207 HydrophobicContact CD2-CD1 3.91Å; L142-Y207 HydrophobicContact CD2-CD2 3.96Å; L142-Y207 HydrophobicContact CD2-CE1 3.89Å; L142-Y207 HydrophobicContact CD2-CE2 3.96Å; L142-Y207 HydrophobicContact CD2-CG 3.9Å; L142-Y207 WeakPolarHBondContact O-CD2 3.43Å; L142-Y207 WeakPolarHBondContact O-CE2 3.32Å; A203-Y207 WeakPolarHBondContact O-CB 3.47Å; A203-Y207 PolarHBondContact O-N 3.22Å; E204-Y207 WeakPolarHBondContact O-CB 3.33Å; E204-Y207 PolarHBondContact O-N 2.8Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; Y207-S209 PolarHBondContact O-N 2.88Å; Y207-E210 PolarHBondContact O-N 3.21Å; Y207-A211 WeakPolarHBondContact O-CB 3.29Å; Y207-A211 PolarHBondContact O-N 3.18Å
208	I	98	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-43.2	-179.2	-64	161.2	0	0	0	110.5	V107 R116 F119 E204 L205 E210 A211 Q212	V107-I208 HydrophobicContact CB-CG2 4.33Å; V107-I208 HydrophobicContact CG2-CB 3.95Å; V107-I208 HydrophobicContact CG2-CG2 3.71Å; R116-I208 HydrophobicContact CG-CD1 3.82Å; F119-I208 HydrophobicContact CB-CD1 3.84Å; F119-I208 HydrophobicContact CB-CG1 4.41Å; E204-I208 WeakPolarHBondContact O-CD1 3.5Å; E204-I208 VanDerWaalsContact O-CG1 3.3Å; E204-I208 WeakPolarHBondContact O-CG1 3.45Å; E204-I208 PolarHBondContact O-N 2.86Å; L205-I208 PolarHBondContact O-N 2.84Å; I208-E210 PolarHBondContact O-N 3.38Å; I208-A211 PolarHBondContact O-N 3.41Å; I208-Q212 WeakPolarHBondContact O-CG 3.37Å; I208-Q212 PolarHBondContact O-N 3.12Å
209	S	97.5	Very high	96.6	Very high	39 Å²	39	41.6 Å²	41.6	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-38.3	179.1	-173.2	0	0	0	0	112.9	L205 L206 Y207 Q213	L205-S209 VanDerWaalsContact O-CB 3.32Å; L205-S209 WeakPolarHBondContact O-CB 3.25Å; L205-S209 PolarHBondContact O-N 2.96Å; L206-S209 PolarHBondContact O-N 2.95Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; Y207-S209 PolarHBondContact O-N 2.88Å; S209-Q213 PolarHBondContact O-NE2 3.01Å
210	E	97.5	Very high	96.4	Very high	39 Å²	39	41.8 Å²	41.8	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-71.2	-36	174.5	-74.6	-58.7	137.8	0	0	112.3	K138 L141 L142 Y145 L206 Y207 I208 Q213 C214	K138-E210 WeakPolarHBondContact CE-OE2 3.47Å; K138-E210 PolarHBondContact NZ-O 3.3Å; K138-E210 IonicContact NZ-OE2 2.7Å; K138-E210 PolarHBondContact NZ-OE2 3.15Å; L141-E210 HydrophobicContact CD2-CG 4.1Å; L142-E210 HydrophobicContact CD2-CB 3.78Å; L142-E210 HydrophobicContact CG-CB 4.47Å; Y145-E210 HydrophobicContact CE2-CG 3.96Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.41Å; L206-E210 PolarHBondContact O-N 3.38Å; Y207-E210 PolarHBondContact O-N 3.21Å; I208-E210 PolarHBondContact O-N 3.38Å; E210-Q213 PolarHBondContact O-N 3Å; E210-C214 PolarHBondContact O-SG 3.4Å
211	A	96.9	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-36.2	175.5	0	0	0	0	0	112.5	M123 I127 L132 Y207 I208 Q213 C214	M123-A211 HydrophobicContact CB-CB 3.92Å; M123-A211 HydrophobicContact CG-CB 3.93Å; M123-A211 HydrophobicContact SD-CB 3.99Å; I127-A211 HydrophobicContact CD1-CB 4.32Å; L132-A211 HydrophobicContact CD1-CB 4.43Å; Y207-A211 WeakPolarHBondContact O-CB 3.29Å; Y207-A211 PolarHBondContact O-N 3.18Å; I208-A211 PolarHBondContact O-N 3.41Å; A211-Q213 PolarHBondContact O-N 3.49Å; A211-C214 VanDerWaalsContact O-CB 3.25Å; A211-C214 WeakPolarHBondContact O-CB 3.49Å; A211-C214 PolarHBondContact O-N 3.33Å
212	Q	96.1	Very high	96.3	Very high	35 Å²	35	32.9 Å²	32.9	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-27.6	173.9	-81.5	172.2	-25.3	0	0	113.5	T104 P105 I208 C214 Y217	T104-Q212 PolarHBondContact O-NE2 3.41Å; P105-Q212 PolarHBondContact O-NE2 2.82Å; I208-Q212 WeakPolarHBondContact O-CG 3.37Å; I208-Q212 PolarHBondContact O-N 3.12Å; Q212-C214 VanDerWaalsContact C-N 3.32Å; Q212-Y217 HydrophobicContact CB-CE1 4.5Å; Q212-Y217 HydrophobicContact CB-CE2 4.42Å; Q212-Y217 HydrophobicContact CG-CD1 4.32Å; Q212-Y217 HydrophobicContact CG-CD2 4.25Å; Q212-Y217 HydrophobicContact CG-CE1 3.78Å; Q212-Y217 HydrophobicContact CG-CE2 3.66Å; Q212-Y217 VanDerWaalsContact CG-CZ 3.43Å
213	Q	95.5	Very high	96.2	Very high	122 Å²	122	31.9 Å²	31.9	57%	0.57	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.4	178.5	-59.1	169.2	26.7	0	0	113.2	K138 S209 E210 A211	K138-Q213 VanDerWaalsContact NZ-OE1 3.09Å; S209-Q213 PolarHBondContact O-NE2 3.01Å; E210-Q213 PolarHBondContact O-N 3Å; A211-Q213 PolarHBondContact O-N 3.49Å
214	C	95	Very high	96.1	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.068	17%	0.169	C	C	.	.	S	Bend	trans	-84.7	147	-177.8	-59.8	0	0	0	0	111	L132 V134 K138 E210 A211 Q212 G216 Y217	L132-C214 HydrophobicContact CB-CB 4.31Å; V134-C214 HydrophobicContact CG1-CB 4.36Å; K138-C214 VanDerWaalsContact CD-SG 3.57Å; E210-C214 PolarHBondContact O-SG 3.4Å; A211-C214 VanDerWaalsContact O-CB 3.25Å; A211-C214 WeakPolarHBondContact O-CB 3.49Å; A211-C214 PolarHBondContact O-N 3.33Å; Q212-C214 VanDerWaalsContact C-N 3.32Å; C214-G216 PolarHBondContact O-N 2.79Å; C214-Y217 WeakPolarHBondContact O-CB 3.32Å; C214-Y217 PolarHBondContact O-N 3.4Å
215	E	92.3	Very high	96	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-68.5	132.3	176.3	-175.3	-178	169.3	0	0	110.2	L133 K244 Y354	L133-E215 HydrophobicContact CB-CB 4.34Å; L133-E215 PolarHBondContact N-O 3.01Å; E215-K244 IonicContact OE1-NZ 2.94Å; E215-K244 PolarHBondContact OE1-NZ 3.48Å; E215-Y354 HydrophobicContact CG-CE2 4.21Å; E215-Y354 PolarHBondContact O-OH 3.18Å
216	G	93.2	Very high	95.8	Very high	7 Å²	7	37.1 Å²	37.1	7%	0.072	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-3.5	-174.5	0	0	0	0	0	114.4	L132 C214 G218 E219 Y354	L132-G216 WeakPolarHBondContact CD2-O 3.42Å; C214-G216 PolarHBondContact O-N 2.79Å; G216-G218 PolarHBondContact O-N 2.89Å; G216-G218 VanDerWaalsContact O-N 3.1Å; G216-E219 WeakPolarHBondContact CA-OE2 3.3Å; G216-E219 PolarHBondContact O-N 3.2Å; G216-Y354 WeakPolarHBondContact CA-OH 3.43Å
217	Y	96.2	Very high	95.4	Very high	23 Å²	23	41 Å²	41	9%	0.09	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	116.2	-179.1	179.8	-92.7	0	0	0	111.8	H103 T104 M123 L132 Q212 C214 E219	H103-Y217 HydrophobicContact CB-CD1 4.47Å; H103-Y217 HydrophobicContact CB-CE1 3.77Å; T104-Y217 PolarHBondContact O-OH 3Å; M123-Y217 HydrophobicContact CE-CE2 4.26Å; M123-Y217 HydrophobicContact SD-CD2 3.67Å; M123-Y217 HydrophobicContact SD-CE2 3.37Å; M123-Y217 WeakPolarHBondContact SD-CE2 3.47Å; L132-Y217 VanDerWaalsContact CD2-N 3.32Å; Q212-Y217 HydrophobicContact CB-CE1 4.5Å; Q212-Y217 HydrophobicContact CB-CE2 4.42Å; Q212-Y217 HydrophobicContact CG-CD1 4.32Å; Q212-Y217 HydrophobicContact CG-CD2 4.25Å; Q212-Y217 HydrophobicContact CG-CE1 3.78Å; Q212-Y217 HydrophobicContact CG-CE2 3.66Å; Q212-Y217 VanDerWaalsContact CG-CZ 3.43Å; C214-Y217 WeakPolarHBondContact O-CB 3.32Å; C214-Y217 PolarHBondContact O-N 3.4Å; Y217-E219 PolarHBondContact O-N 3.31Å
218	G	94.9	Very high	95	Very high	13 Å²	13	46.8 Å²	46.8	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	16.8	-178.4	0	0	0	0	0	114.4	H103 G216 Y236	H103-G218 VanDerWaalsContact CG-CA 3.44Å; G216-G218 PolarHBondContact O-N 2.89Å; G216-G218 VanDerWaalsContact O-N 3.1Å; G218-Y236 WeakPolarHBondContact O-CE2 3.33Å
219	E	95.3	Very high	94.7	Very high	48 Å²	48	48.9 Å²	48.9	22%	0.224	26%	0.255	C	S	.	.			trans	-102.9	131.7	179.8	-53.5	-179.3	165.2	0	0	110.7	G216 Y217 Y221 Y236 K244	G216-E219 WeakPolarHBondContact CA-OE2 3.3Å; G216-E219 PolarHBondContact O-N 3.2Å; Y217-E219 PolarHBondContact O-N 3.31Å; E219-Y221 HydrophobicContact CB-CD2 4.42Å; E219-Y221 HydrophobicContact CB-CE2 3.62Å; E219-Y221 WeakPolarHBondContact OE2-CE2 3.46Å; E219-Y221 PolarHBondContact OE2-OH 2.95Å; E219-Y236 VanDerWaalsContact CA-O 3.29Å; E219-Y236 WeakPolarHBondContact CA-O 3.45Å; E219-K244 IonicContact OE2-NZ 3.86Å
220	E	94.8	Very high	94.5	Very high	52 Å²	52	50.8 Å²	50.8	24%	0.243	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	169.8	-167.3	172.1	148.3	0	0	108.6	W75 F222 G235 Y236 L294	W75-E220 PolarHBondContact NE1-OE2 3.47Å; E220-F222 HydrophobicContact CG-CE2 4.04Å; E220-F222 HydrophobicContact CG-CZ 4.15Å; E220-F222 WeakPolarHBondContact OE1-CZ 3.33Å; E220-G235 WeakPolarHBondContact O-CA 3.44Å; E220-Y236 HydrophobicContact CB-CE1 3.68Å; E220-Y236 HydrophobicContact CB-CE2 4.26Å; E220-Y236 WeakPolarHBondContact CB-OH 3.37Å; E220-Y236 PolarHBondContact O-N 3.41Å; E220-Y236 PolarHBondContact OE2-OH 2.9Å; E220-L294 HydrophobicContact CG-CD2 4.49Å; E220-L294 WeakPolarHBondContact OE1-CD2 3.38Å
221	Y	95.3	Very high	94.4	Very high	29 Å²	29	53 Å²	53	11%	0.114	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.7	-173.4	-67.9	-83.8	0	0	0	111.8	E219 F233 I242 K244	E219-Y221 HydrophobicContact CB-CD2 4.42Å; E219-Y221 HydrophobicContact CB-CE2 3.62Å; E219-Y221 WeakPolarHBondContact OE2-CE2 3.46Å; E219-Y221 PolarHBondContact OE2-OH 2.95Å; Y221-F233 HydrophobicContact CD1-CB 3.97Å; Y221-F233 HydrophobicContact CG-CB 4.49Å; Y221-I242 HydrophobicContact CE1-CG1 4.46Å; Y221-I242 HydrophobicContact CE1-CG2 3.7Å; Y221-K244 HydrophobicContact CD1-CD 4.49Å; Y221-K244 HydrophobicContact CE1-CD 3.67Å; Y221-K244 HydrophobicContact CE1-CG 3.99Å; Y221-K244 WeakPolarHBondContact OH-CE 3.42Å; Y221-K244 PolarHBondContact OH-NZ 3.17Å
222	F	95.9	Very high	94.4	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.066	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.8	175.4	-61.1	-93.7	0	0	0	109.5	E220 F233 V234 M282 T287 Y290 A291 L294 F295	E220-F222 HydrophobicContact CG-CE2 4.04Å; E220-F222 HydrophobicContact CG-CZ 4.15Å; E220-F222 WeakPolarHBondContact OE1-CZ 3.33Å; F222-F233 WeakPolarHBondContact O-CA 3.38Å; F222-V234 HydrophobicContact CB-CG1 4.21Å; F222-V234 PolarHBondContact N-O 3.16Å; F222-V234 PolarHBondContact O-N 3.45Å; F222-M282 HydrophobicContact CB-CE 3.4Å; F222-M282 HydrophobicContact CD1-CE 4.33Å; F222-M282 HydrophobicContact CG-CE 4.1Å; F222-T287 HydrophobicContact CD1-CG2 4.34Å; F222-Y290 AromaticContact CE1-CD1 3.68Å; F222-Y290 HydrophobicContact CE1-CD1 3.68Å; F222-Y290 AromaticContact CE1-CE1 3.71Å; F222-Y290 HydrophobicContact CE1-CE1 3.71Å; F222-Y290 HydrophobicContact CZ-CD1 4.07Å; F222-Y290 AromaticContact CZ-CE1 3.77Å; F222-Y290 HydrophobicContact CZ-CE1 3.77Å; F222-A291 HydrophobicContact CD1-CB 4.14Å; F222-A291 HydrophobicContact CD2-CB 4.31Å; F222-A291 HydrophobicContact CE1-CB 4.33Å; F222-A291 HydrophobicContact CG-CB 4.13Å; F222-L294 HydrophobicContact CE2-CD2 4.19Å; F222-L294 HydrophobicContact CZ-CD2 3.85Å; F222-F295 AromaticContact CD2-CE2 3.61Å; F222-F295 HydrophobicContact CD2-CE2 3.61Å; F222-F295 HydrophobicContact CD2-CZ 4.14Å; F222-F295 HydrophobicContact CE2-CD2 4.44Å; F222-F295 AromaticContact CE2-CE2 3.62Å; F222-F295 HydrophobicContact CE2-CE2 3.62Å
223	P	95.7	Very high	94.4	Very high	57 Å²	57	53 Å²	53	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.3	173.9	29.4	-33.1	0	0	0	110.3	F233	P223-F233 HydrophobicContact CB-CD1 4.14Å; P223-F233 HydrophobicContact CB-CE1 3.91Å
224	G	95.6	Very high	94.4	Very high	9 Å²	9	47.3 Å²	47.3	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-174.7	175.4	0	0	0	0	0	111.6	V232 Q281	G224-V232 PolarHBondContact N-O 3.13Å; G224-V232 PolarHBondContact O-N 3.24Å; G224-Q281 CarbonylContact C-O 3.47Å; G224-Q281 VanDerWaalsContact CA-O 3.22Å; G224-Q281 WeakPolarHBondContact CA-O 3.46Å
225	R	96	Very high	94.5	Very high	123 Å²	123	46.9 Å²	46.9	46%	0.464	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.1	174.9	-67.4	-179.5	176.3	178.7	0.6	111.4	N230 D231 F280 Q281	R225-N230 CarbonylContact C-O 3.53Å; R225-N230 VanDerWaalsContact CA-O 3.23Å; R225-N230 WeakPolarHBondContact CA-O 3.41Å; R225-D231 WeakPolarHBondContact CG-OD1 3.37Å; R225-D231 IonicContact CZ-OD1 3.95Å; R225-D231 IonicContact NE-OD1 3.86Å; R225-D231 PolarHBondContact NE-OD1 3.12Å; R225-D231 IonicContact NH2-OD1 2.7Å; R225-F280 CarbonylContact O-C 3.59Å; R225-F280 WeakPolarHBondContact O-CA 3.49Å; R225-Q281 HydrophobicContact CB-CB 4.36Å; R225-Q281 PolarHBondContact N-O 3.43Å; R225-Q281 PolarHBondContact O-N 2.67Å
226	D	93.1	Very high	94.7	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.08	23%	0.229	C	C	.	.			trans	-73.4	178.8	173.4	67.7	10.7	0	0	0	112.1	D228 G229 N230 V232 R245	D226-D228 PolarHBondContact O-N 2.89Å; D226-D228 WeakPolarHBondContact OD1-CA 3.44Å; D226-D228 WeakPolarHBondContact OD1-CB 3.34Å; D226-D228 PolarHBondContact OD1-N 3.21Å; D226-D228 VanDerWaalsContact OD1-N 3.15Å; D226-G229 PolarHBondContact O-N 3.5Å; D226-G229 PolarHBondContact OD1-N 3.08Å; D226-N230 PolarHBondContact N-O 3.12Å; D226-N230 WeakPolarHBondContact OD1-CB 3.46Å; D226-N230 PolarHBondContact OD1-N 3.06Å; D226-N230 PolarHBondContact OD1-ND2 2.89Å; D226-N230 PolarHBondContact OD2-ND2 3.4Å; D226-N230 VanDerWaalsContact OD2-ND2 3.15Å; D226-V232 HydrophobicContact CB-CG1 4.23Å; D226-V232 HydrophobicContact CB-CG2 4.34Å; D226-R245 IonicContact OD2-CZ 3.52Å; D226-R245 IonicContact OD2-NH1 3.51Å; D226-R245 IonicContact OD2-NH2 3.5Å; D226-R245 PolarHBondContact OD2-NH2 3.36Å
227	E	90.3	Very high	94.8	Very high	137 Å²	137	44 Å²	44	64%	0.64	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.3	178.5	-64.4	-170.7	154.6	0	0	113.3	G229 C279	E227-G229 PolarHBondContact O-N 3.24Å; E227-C279 HydrophobicContact CG-CB 3.72Å; E227-C279 WeakPolarHBondContact OE1-CB 3.42Å
228	D	90.5	Very high	94.7	Very high	128 Å²	128	44.1 Å²	44.1	68%	0.684	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.2	176.4	-59.7	-47	0	0	0	112.1	D226 N230	D226-D228 PolarHBondContact O-N 2.89Å; D226-D228 WeakPolarHBondContact OD1-CA 3.44Å; D226-D228 WeakPolarHBondContact OD1-CB 3.34Å; D226-D228 PolarHBondContact OD1-N 3.21Å; D226-D228 VanDerWaalsContact OD1-N 3.15Å; D228-N230 VanDerWaalsContact CB-ND2 3.34Å; D228-N230 WeakPolarHBondContact CB-ND2 3.33Å
229	G	91	Very high	94.6	Very high	43 Å²	43	48.5 Å²	48.5	44%	0.443	25%	0.251	S	S	.	.			trans	82.7	11.2	-179.2	0	0	0	0	0	114.8	D226 E227	D226-G229 PolarHBondContact O-N 3.5Å; D226-G229 PolarHBondContact OD1-N 3.08Å; E227-G229 PolarHBondContact O-N 3.24Å
230	N	94.3	Very high	94.6	Very high	79 Å²	79	46.2 Å²	46.2	42%	0.422	24%	0.24	S	C	.	.			trans	-78.2	140.5	176	-53.3	-62.6	0	0	0	110.8	R225 D226 D228 V232	R225-N230 CarbonylContact C-O 3.53Å; R225-N230 VanDerWaalsContact CA-O 3.23Å; R225-N230 WeakPolarHBondContact CA-O 3.41Å; D226-N230 PolarHBondContact N-O 3.12Å; D226-N230 WeakPolarHBondContact OD1-CB 3.46Å; D226-N230 PolarHBondContact OD1-N 3.06Å; D226-N230 PolarHBondContact OD1-ND2 2.89Å; D226-N230 PolarHBondContact OD2-ND2 3.4Å; D226-N230 VanDerWaalsContact OD2-ND2 3.15Å; D228-N230 VanDerWaalsContact CB-ND2 3.34Å; D228-N230 WeakPolarHBondContact CB-ND2 3.33Å; N230-V232 PolarHBondContact O-N 3.36Å
231	D	95.3	Very high	94.6	Very high	87 Å²	87	43.9 Å²	43.9	47%	0.465	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.9	173.1	-61.4	-47	0	0	0	110.3	R225	R225-D231 WeakPolarHBondContact CG-OD1 3.37Å; R225-D231 IonicContact CZ-OD1 3.95Å; R225-D231 IonicContact NE-OD1 3.86Å; R225-D231 PolarHBondContact NE-OD1 3.12Å; R225-D231 IonicContact NH2-OD1 2.7Å
232	V	96.2	Very high	94.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.8	-176.7	-59.4	0	0	0	0	110.8	G224 D226 N230 V243 R245 F280	G224-V232 PolarHBondContact N-O 3.13Å; G224-V232 PolarHBondContact O-N 3.24Å; D226-V232 HydrophobicContact CB-CG1 4.23Å; D226-V232 HydrophobicContact CB-CG2 4.34Å; N230-V232 PolarHBondContact O-N 3.36Å; V232-V243 HydrophobicContact CB-CG1 4.26Å; V232-R245 HydrophobicContact CG1-CG 3.89Å; V232-F280 HydrophobicContact CG2-CD1 3.68Å; V232-F280 HydrophobicContact CG2-CE1 3.9Å
233	F	96.3	Very high	94.6	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.2	169.4	-65.2	-85	0	0	0	109	Y221 F222 P223 V243 K244 H355 M358	Y221-F233 HydrophobicContact CD1-CB 3.97Å; Y221-F233 HydrophobicContact CG-CB 4.49Å; F222-F233 WeakPolarHBondContact O-CA 3.38Å; P223-F233 HydrophobicContact CB-CD1 4.14Å; P223-F233 HydrophobicContact CB-CE1 3.91Å; F233-V243 WeakPolarHBondContact O-CA 3.3Å; F233-K244 HydrophobicContact CB-CB 4.19Å; F233-K244 PolarHBondContact N-O 3.32Å; F233-K244 PolarHBondContact O-N 3.34Å; F233-H355 AromaticContact CE2-CE1 3.64Å; F233-H355 AromaticContact CE2-NE2 3.97Å; F233-M358 HydrophobicContact CE1-CB 4.44Å
234	V	96.5	Very high	94.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.9	173.2	62.2	0	0	0	0	108.9	F222 V243 F268 F280 M282 F295	F222-V234 HydrophobicContact CB-CG1 4.21Å; F222-V234 PolarHBondContact N-O 3.16Å; F222-V234 PolarHBondContact O-N 3.45Å; V234-V243 HydrophobicContact CG2-CG2 4.41Å; V234-F268 HydrophobicContact CG1-CD1 4.31Å; V234-F268 HydrophobicContact CG1-CE1 4.38Å; V234-F268 HydrophobicContact CG2-CE1 3.98Å; V234-F280 HydrophobicContact CB-CD1 4.37Å; V234-F280 HydrophobicContact CB-CD2 4.43Å; V234-F280 HydrophobicContact CB-CE1 4.36Å; V234-F280 HydrophobicContact CB-CE2 4.4Å; V234-F280 HydrophobicContact CB-CG 4.39Å; V234-F280 HydrophobicContact CB-CZ 4.37Å; V234-F280 HydrophobicContact CG1-CG 4.38Å; V234-F280 HydrophobicContact CG2-CD2 4.15Å; V234-F280 HydrophobicContact CG2-CE2 3.86Å; V234-F280 HydrophobicContact CG2-CZ 4.09Å; V234-M282 HydrophobicContact CG1-SD 4.36Å; V234-F295 HydrophobicContact CG2-CE1 3.87Å; V234-F295 HydrophobicContact CG2-CZ 4.06Å
235	G	96.7	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	178.6	-179.8	0	0	0	0	0	111.9	E220 I242	E220-G235 WeakPolarHBondContact O-CA 3.44Å; G235-I242 PolarHBondContact N-O 3.45Å; G235-I242 PolarHBondContact O-N 3.34Å; G235-I242 VanDerWaalsContact O-O 3.13Å
236	Y	96.9	Very high	93.9	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	164.3	169.4	60.5	-100.8	0	0	0	110.2	G218 E219 E220 G240 L294 F295 Q298	G218-Y236 WeakPolarHBondContact O-CE2 3.33Å; E219-Y236 VanDerWaalsContact CA-O 3.29Å; E219-Y236 WeakPolarHBondContact CA-O 3.45Å; E220-Y236 HydrophobicContact CB-CE1 3.68Å; E220-Y236 HydrophobicContact CB-CE2 4.26Å; E220-Y236 WeakPolarHBondContact CB-OH 3.37Å; E220-Y236 PolarHBondContact O-N 3.41Å; E220-Y236 PolarHBondContact OE2-OH 2.9Å; Y236-G240 CarbonylContact C-O 3.56Å; Y236-G240 WeakPolarHBondContact CA-O 3.09Å; Y236-L294 HydrophobicContact CE1-CD2 3.64Å; Y236-L294 HydrophobicContact CE1-CG 3.68Å; Y236-F295 AromaticContact CD1-CD2 3.69Å; Y236-F295 HydrophobicContact CD1-CD2 3.69Å; Y236-F295 AromaticContact CD1-CE2 3.63Å; Y236-F295 HydrophobicContact CD1-CE2 3.63Å; Y236-F295 HydrophobicContact CD1-CG 4.31Å; Y236-F295 HydrophobicContact CD1-CZ 4.17Å; Y236-F295 HydrophobicContact CE1-CD2 4.28Å; Y236-F295 HydrophobicContact CE1-CE2 4.25Å; Y236-Q298 HydrophobicContact CD1-CG 4.1Å; Y236-Q298 HydrophobicContact CD2-CB 4.3Å; Y236-Q298 HydrophobicContact CD2-CG 3.74Å; Y236-Q298 HydrophobicContact CE1-CG 3.92Å; Y236-Q298 HydrophobicContact CE2-CG 3.58Å; Y236-Q298 HydrophobicContact CG-CB 4.37Å; Y236-Q298 HydrophobicContact CG-CG 4Å; Y236-Q298 PolarHBondContact OH-NE2 2.89Å
237	Y	94.9	Very high	93.6	Very high	20 Å²	20	52.3 Å²	52.3	8%	0.078	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	178.9	169.1	70.7	-71.9	0	0	0	108.3	E239 G240 L241 I242 K252 W255	Y237-E239 VanDerWaalsContact C-N 3.29Å; Y237-E239 HydrophobicContact CD2-CB 4.14Å; Y237-E239 HydrophobicContact CD2-CG 4.3Å; Y237-E239 HydrophobicContact CE2-CB 3.41Å; Y237-E239 VanDerWaalsContact CE2-CB 3.41Å; Y237-E239 HydrophobicContact CE2-CG 3.76Å; Y237-E239 PolarHBondContact O-N 3.12Å; Y237-G240 WeakPolarHBondContact CD1-O 3.4Å; Y237-G240 VanDerWaalsContact CE1-CA 3.45Å; Y237-G240 PolarHBondContact N-O 2.74Å; Y237-G240 PolarHBondContact O-N 2.9Å; Y237-G240 VanDerWaalsContact O-O 3.09Å; Y237-L241 WeakPolarHBondContact CE1-O 3.17Å; Y237-I242 HydrophobicContact CD1-CB 4.1Å; Y237-I242 HydrophobicContact CD1-CG2 4.34Å; Y237-K252 HydrophobicContact CE1-CB 4.39Å; Y237-K252 HydrophobicContact CE1-CD 4.45Å; Y237-K252 HydrophobicContact CE1-CG 4.36Å; Y237-W255 PolarHBondContact O-NE1 3.32Å
238	S	93	Very high	93.5	Very high	26 Å²	26	48.6 Å²	48.6	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.5	-174.6	56.4	0	0	0	0	114.1	W255 F302	S238-W255 PolarHBondContact O-NE1 2.81Å; S238-F302 WeakPolarHBondContact O-CB 3.33Å; S238-F302 WeakPolarHBondContact O-CD1 3.23Å; S238-F302 WeakPolarHBondContact O-CD2 3.33Å; S238-F302 WeakPolarHBondContact O-CG 3.34Å
239	E	93	Very high	93.6	Very high	105 Å²	105	47.7 Å²	47.7	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.8	-177.9	-40.6	179.7	171	0	0	113.9	Y237 R254 W255	Y237-E239 VanDerWaalsContact C-N 3.29Å; Y237-E239 HydrophobicContact CD2-CB 4.14Å; Y237-E239 HydrophobicContact CD2-CG 4.3Å; Y237-E239 HydrophobicContact CE2-CB 3.41Å; Y237-E239 VanDerWaalsContact CE2-CB 3.41Å; Y237-E239 HydrophobicContact CE2-CG 3.76Å; Y237-E239 PolarHBondContact O-N 3.12Å; E239-R254 CarbonylContact O-C 3.55Å; E239-R254 WeakPolarHBondContact O-CA 3.45Å; E239-W255 VanDerWaalsContact O-CD1 3.25Å; E239-W255 PolarHBondContact O-N 2.85Å
240	G	95	Very high	93.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-153.3	-173.9	0	0	0	0	0	117.5	Y236 Y237 Y253 W255	Y236-G240 CarbonylContact C-O 3.56Å; Y236-G240 WeakPolarHBondContact CA-O 3.09Å; Y237-G240 WeakPolarHBondContact CD1-O 3.4Å; Y237-G240 VanDerWaalsContact CE1-CA 3.45Å; Y237-G240 PolarHBondContact N-O 2.74Å; Y237-G240 PolarHBondContact O-N 2.9Å; Y237-G240 VanDerWaalsContact O-O 3.09Å; G240-Y253 CarbonylContact C-O 3.53Å; G240-Y253 WeakPolarHBondContact CA-O 3.38Å; G240-W255 VanDerWaalsContact CA-CE2 3.43Å; G240-W255 VanDerWaalsContact N-NE1 3.14Å; G240-W255 WeakPolarHBondContact O-CZ2 3.45Å
241	L	95.6	Very high	93.5	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.3	175.8	-59.4	171.6	0	0	0	110.8	Y237 K252 Y253 W255 V258 V270 F295	Y237-L241 WeakPolarHBondContact CE1-O 3.17Å; L241-K252 WeakPolarHBondContact O-CA 3.49Å; L241-Y253 HydrophobicContact CB-CD2 4.42Å; L241-Y253 PolarHBondContact N-O 3.03Å; L241-Y253 PolarHBondContact O-N 3.03Å; L241-W255 HydrophobicContact CD1-CZ3 4.49Å; L241-W255 HydrophobicContact CD2-CH2 3.59Å; L241-W255 HydrophobicContact CD2-CZ3 3.51Å; L241-W255 HydrophobicContact CG-CE3 4.37Å; L241-W255 HydrophobicContact CG-CH2 4.15Å; L241-W255 HydrophobicContact CG-CZ3 3.73Å; L241-V258 HydrophobicContact CD1-CG1 4.46Å; L241-V258 HydrophobicContact CD1-CG2 3.45Å; L241-V258 VanDerWaalsContact CD1-CG2 3.45Å; L241-V258 HydrophobicContact CG-CG2 4.11Å; L241-V270 HydrophobicContact CD1-CB 4.21Å; L241-V270 HydrophobicContact CD1-CG1 3.31Å; L241-V270 HydrophobicContact CD1-CG2 4.02Å; L241-F295 HydrophobicContact CD2-CD1 3.18Å; L241-F295 HydrophobicContact CD2-CE1 3.39Å; L241-F295 HydrophobicContact CD2-CG 4.34Å
242	I	95	Very high	93.5	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	175.8	-177.5	163.1	0	0	0	109.9	Y221 G235 Y237 K244 P250 L251 K252	Y221-I242 HydrophobicContact CE1-CG1 4.46Å; Y221-I242 HydrophobicContact CE1-CG2 3.7Å; G235-I242 PolarHBondContact N-O 3.45Å; G235-I242 PolarHBondContact O-N 3.34Å; G235-I242 VanDerWaalsContact O-O 3.13Å; Y237-I242 HydrophobicContact CD1-CB 4.1Å; Y237-I242 HydrophobicContact CD1-CG2 4.34Å; I242-K244 HydrophobicContact CG1-CG 4.43Å; I242-P250 HydrophobicContact CD1-CB 3.79Å; I242-P250 HydrophobicContact CD1-CG 4.31Å; I242-P250 HydrophobicContact CG1-CB 3.84Å; I242-L251 CarbonylContact C-O 3.57Å; I242-L251 WeakPolarHBondContact CA-O 3.47Å; I242-K252 HydrophobicContact CD1-CG 4.45Å; I242-K252 HydrophobicContact CG1-CG 4.38Å
243	V	95.1	Very high	93.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.1	175.9	-174.4	0	0	0	0	108.2	V232 F233 V234 P250 L251 Y253 F280	V232-V243 HydrophobicContact CB-CG1 4.26Å; F233-V243 WeakPolarHBondContact O-CA 3.3Å; V234-V243 HydrophobicContact CG2-CG2 4.41Å; V243-P250 WeakPolarHBondContact O-CA 3.4Å; V243-L251 HydrophobicContact CB-CB 4.29Å; V243-L251 PolarHBondContact N-O 3.49Å; V243-L251 PolarHBondContact O-N 2.87Å; V243-Y253 HydrophobicContact CG2-CE2 4.11Å; V243-F280 HydrophobicContact CG1-CE1 3.99Å; V243-F280 HydrophobicContact CG1-CZ 4.28Å; V243-F280 HydrophobicContact CG2-CE1 4.29Å; V243-F280 HydrophobicContact CG2-CZ 3.74Å
244	K	94.1	Very high	93.3	Very high	38 Å²	38	55.3 Å²	55.3	17%	0.165	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.4	175.6	-77.1	-177.8	177.4	176.5	0	109.2	E215 E219 Y221 F233 I242 P250	E215-K244 IonicContact OE1-NZ 2.94Å; E215-K244 PolarHBondContact OE1-NZ 3.48Å; E219-K244 IonicContact OE2-NZ 3.86Å; Y221-K244 HydrophobicContact CD1-CD 4.49Å; Y221-K244 HydrophobicContact CE1-CD 3.67Å; Y221-K244 HydrophobicContact CE1-CG 3.99Å; Y221-K244 WeakPolarHBondContact OH-CE 3.42Å; Y221-K244 PolarHBondContact OH-NZ 3.17Å; F233-K244 HydrophobicContact CB-CB 4.19Å; F233-K244 PolarHBondContact N-O 3.32Å; F233-K244 PolarHBondContact O-N 3.34Å; I242-K244 HydrophobicContact CG1-CG 4.43Å; K244-P250 HydrophobicContact CG-CB 4Å
245	R	92.7	Very high	93.2	Very high	103 Å²	103	55.4 Å²	55.4	39%	0.389	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	161.9	170.5	-59	-173.2	176.2	-144.2	-4.8	109.3	D226 V232 Q247	D226-R245 IonicContact OD2-CZ 3.52Å; D226-R245 IonicContact OD2-NH1 3.51Å; D226-R245 IonicContact OD2-NH2 3.5Å; D226-R245 PolarHBondContact OD2-NH2 3.36Å; V232-R245 HydrophobicContact CG1-CG 3.89Å; R245-Q247 PolarHBondContact O-N 3.08Å
246	L	86.2	Confident	92.9	Very high	102 Å²	102	60.5 Å²	60.5	53%	0.534	31%	0.306	S	S	.	.	S	Bend	trans	-57.4	-31.9	176.4	-57.3	-177.2	0	0	0	112.7	H355	L246-H355 WeakPolarHBondContact CD2-CE1 3.2Å; L246-H355 WeakPolarHBondContact CD2-NE2 3.33Å
247	Q	86.5	Confident	92.6	Very high	175 Å²	175	63.6 Å²	63.6	82%	0.818	32%	0.321	S	S	*	.	S	Bend	trans	-133.6	136.9	-179	-62.4	-178.9	8.8	0	0	109.7	R245	R245-Q247 PolarHBondContact O-N 3.08Å
248	G	88.9	Confident	92.5	Very high	59 Å²	59	62.9 Å²	62.9	61%	0.608	32%	0.318	S	S	*	.	S	Bend	trans	100.6	170.6	177.4	0	0	0	0	0	114.1
249	P	91.6	Very high	92.4	Very high	109 Å²	109	65.7 Å²	65.7	71%	0.708	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-67.9	150.4	178.3	29.4	-34.5	0	0	0	111.1	L251	P249-L251 PolarHBondContact O-N 2.86Å
250	P	92.3	Very high	92.4	Very high	59 Å²	59	61.5 Å²	61.5	38%	0.383	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.2	136.7	174	25.3	-32.5	0	0	0	111.1	I242 V243 K244	I242-P250 HydrophobicContact CD1-CB 3.79Å; I242-P250 HydrophobicContact CD1-CG 4.31Å; I242-P250 HydrophobicContact CG1-CB 3.84Å; V243-P250 WeakPolarHBondContact O-CA 3.4Å; K244-P250 HydrophobicContact CG-CB 4Å
251	L	92.7	Very high	92.4	Very high	64 Å²	64	61.9 Å²	61.9	34%	0.335	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.9	171.2	-57.1	174.4	0	0	0	108.6	I242 V243 P249 Y253	I242-L251 CarbonylContact C-O 3.57Å; I242-L251 WeakPolarHBondContact CA-O 3.47Å; V243-L251 HydrophobicContact CB-CB 4.29Å; V243-L251 PolarHBondContact N-O 3.49Å; V243-L251 PolarHBondContact O-N 2.87Å; P249-L251 PolarHBondContact O-N 2.86Å; L251-Y253 HydrophobicContact CB-CE2 3.93Å
252	K	93.8	Very high	92.3	Very high	115 Å²	115	66.9 Å²	66.9	50%	0.5	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.3	178.9	-68.1	-175	174.5	-170	0	109.7	Y237 L241 I242	Y237-K252 HydrophobicContact CE1-CB 4.39Å; Y237-K252 HydrophobicContact CE1-CD 4.45Å; Y237-K252 HydrophobicContact CE1-CG 4.36Å; L241-K252 WeakPolarHBondContact O-CA 3.49Å; I242-K252 HydrophobicContact CD1-CG 4.45Å; I242-K252 HydrophobicContact CG1-CG 4.38Å
253	Y	94.1	Very high	92.3	Very high	33 Å²	33	69.2 Å²	69.2	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.8	175.2	-53.8	-82.9	0	0	0	107.9	G240 L241 V243 L251 E257 L275 L278	G240-Y253 CarbonylContact C-O 3.53Å; G240-Y253 WeakPolarHBondContact CA-O 3.38Å; L241-Y253 HydrophobicContact CB-CD2 4.42Å; L241-Y253 PolarHBondContact N-O 3.03Å; L241-Y253 PolarHBondContact O-N 3.03Å; V243-Y253 HydrophobicContact CG2-CE2 4.11Å; L251-Y253 HydrophobicContact CB-CE2 3.93Å; Y253-E257 WeakPolarHBondContact CA-OE2 3.42Å; Y253-L275 HydrophobicContact CD1-CD1 3.7Å; Y253-L275 HydrophobicContact CE1-CD1 3.43Å; Y253-L275 VanDerWaalsContact CE1-CD1 3.43Å; Y253-L278 HydrophobicContact CD1-CD1 4.5Å; Y253-L278 HydrophobicContact CD2-CD1 3.7Å; Y253-L278 HydrophobicContact CE1-CD1 4.29Å; Y253-L278 HydrophobicContact CE2-CD1 3.44Å; Y253-L278 VanDerWaalsContact CE2-CD1 3.44Å; Y253-L278 HydrophobicContact CG-CD1 4.22Å
254	R	94.2	Very high	92.3	Very high	133 Å²	133	74.1 Å²	74.1	50%	0.502	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	155.2	-178.6	-67.4	-164.4	171.4	101.1	-3.1	111.4	E239 E256 E257	E239-R254 CarbonylContact O-C 3.55Å; E239-R254 WeakPolarHBondContact O-CA 3.45Å; R254-E256 VanDerWaalsContact CB-OE2 3.29Å; R254-E256 WeakPolarHBondContact CB-OE2 3.45Å; R254-E256 PolarHBondContact O-N 3.4Å; R254-E256 VanDerWaalsContact O-N 3.16Å; R254-E257 HydrophobicContact CB-CG 4.38Å; R254-E257 PolarHBondContact N-OE2 3.18Å; R254-E257 WeakPolarHBondContact O-CB 3.25Å; R254-E257 PolarHBondContact O-N 3.25Å
255	W	94.5	Very high	92.3	Very high	4 Å²	4	80.4 Å²	80.4	2%	0.015	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.7	176	-69.9	128	0	0	0	112.2	Y237 S238 E239 G240 L241 E257 V258 I261 Q298 S299 F302 R303	Y237-W255 PolarHBondContact O-NE1 3.32Å; S238-W255 PolarHBondContact O-NE1 2.81Å; E239-W255 VanDerWaalsContact O-CD1 3.25Å; E239-W255 PolarHBondContact O-N 2.85Å; G240-W255 VanDerWaalsContact CA-CE2 3.43Å; G240-W255 VanDerWaalsContact N-NE1 3.14Å; G240-W255 WeakPolarHBondContact O-CZ2 3.45Å; L241-W255 HydrophobicContact CD1-CZ3 4.49Å; L241-W255 HydrophobicContact CD2-CH2 3.59Å; L241-W255 HydrophobicContact CD2-CZ3 3.51Å; L241-W255 HydrophobicContact CG-CE3 4.37Å; L241-W255 HydrophobicContact CG-CH2 4.15Å; L241-W255 HydrophobicContact CG-CZ3 3.73Å; W255-E257 VanDerWaalsContact C-N 3.26Å; W255-E257 PolarHBondContact O-N 3.23Å; W255-V258 HydrophobicContact CE3-CG2 4.38Å; W255-V258 PolarHBondContact O-N 2.85Å; W255-I261 HydrophobicContact CZ3-CD1 4.09Å; W255-Q298 HydrophobicContact CH2-CB 4.4Å; W255-Q298 HydrophobicContact CZ2-CB 4.02Å; W255-S299 VanDerWaalsContact CE3-CB 3.48Å; W255-S299 VanDerWaalsContact CE3-OG 3.29Å; W255-F302 AromaticContact NE1-CD2 3.96Å; W255-R303 HydrophobicContact CB-CG 4.06Å; W255-R303 PolarHBondContact O-NE 2.83Å; W255-R303 VanDerWaalsContact O-NE 3.11Å; W255-R303 PolarHBondContact O-NH2 3.48Å
256	E	91.3	Very high	92.5	Very high	106 Å²	106	81.9 Å²	81.9	50%	0.495	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-65.8	-28	177.1	-64.3	70.2	-148.9	0	0	113.1	R254	R254-E256 VanDerWaalsContact CB-OE2 3.29Å; R254-E256 WeakPolarHBondContact CB-OE2 3.45Å; R254-E256 PolarHBondContact O-N 3.4Å; R254-E256 VanDerWaalsContact O-N 3.16Å
257	E	90.6	Very high	93	Very high	74 Å²	74	80.2 Å²	80.2	35%	0.346	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-83	-18.2	-177.7	-62.3	165.5	173.6	0	0	112	Y253 R254 W255 C272 A273	Y253-E257 WeakPolarHBondContact CA-OE2 3.42Å; R254-E257 HydrophobicContact CB-CG 4.38Å; R254-E257 PolarHBondContact N-OE2 3.18Å; R254-E257 WeakPolarHBondContact O-CB 3.25Å; R254-E257 PolarHBondContact O-N 3.25Å; W255-E257 VanDerWaalsContact C-N 3.26Å; W255-E257 PolarHBondContact O-N 3.23Å; E257-C272 CarbonylContact O-C 3.59Å; E257-C272 WeakPolarHBondContact O-CA 3.24Å; E257-A273 PolarHBondContact O-N 3Å
258	V	92.1	Very high	93.4	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.024	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.1	-177	178.1	0	0	0	0	110.1	L241 W255 I261 V270 N271 R303	L241-V258 HydrophobicContact CD1-CG1 4.46Å; L241-V258 HydrophobicContact CD1-CG2 3.45Å; L241-V258 VanDerWaalsContact CD1-CG2 3.45Å; L241-V258 HydrophobicContact CG-CG2 4.11Å; W255-V258 HydrophobicContact CE3-CG2 4.38Å; W255-V258 PolarHBondContact O-N 2.85Å; V258-I261 HydrophobicContact CG1-CD1 4.1Å; V258-I261 HydrophobicContact CG1-CG1 3.75Å; V258-V270 HydrophobicContact CG1-CG1 3.75Å; V258-V270 HydrophobicContact CG2-CG1 4.17Å; V258-N271 CarbonylContact C-O 3.55Å; V258-R303 PolarHBondContact O-NH2 3.4Å
259	C	91	Very high	93.7	Very high	86 Å²	86	70.5 Å²	70.5	58%	0.581	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-34.9	176.6	-72.7	0	0	0	0	112.9	N271 A273	C259-N271 HydrophobicContact CB-CB 4.3Å; C259-N271 PolarHBondContact N-O 3.29Å; C259-A273 WeakPolarHBondContact SG-CA 3.47Å; C259-A273 WeakPolarHBondContact SG-CB 3.02Å; C259-A273 PolarHBondContact SG-N 2.88Å
260	G	92.5	Very high	93.9	Very high	16 Å²	16	65.4 Å²	65.4	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	154.2	-178.4	0	0	0	0	0	113.1	N271	G260-N271 PolarHBondContact N-O 2.8Å; G260-N271 PolarHBondContact O-N 3.42Å
261	I	95.9	Very high	93.9	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.7	-175.2	-55.9	179.2	0	0	0	108.3	W255 V258 F268 V270 A292 F295 N296	W255-I261 HydrophobicContact CZ3-CD1 4.09Å; V258-I261 HydrophobicContact CG1-CD1 4.1Å; V258-I261 HydrophobicContact CG1-CG1 3.75Å; I261-F268 HydrophobicContact CG2-CD2 4.43Å; I261-F268 HydrophobicContact CG2-CE2 3.36Å; I261-F268 HydrophobicContact CG2-CZ 3.67Å; I261-V270 HydrophobicContact CG1-CG1 4.38Å; I261-V270 HydrophobicContact CG1-CG2 4.44Å; I261-V270 HydrophobicContact CG2-CG2 4.42Å; I261-A292 HydrophobicContact CG2-CB 4.4Å; I261-F295 HydrophobicContact CD1-CB 3.73Å; I261-F295 HydrophobicContact CG2-CB 4.19Å; I261-N296 PolarHBondContact O-ND2 3.48Å; I261-N296 VanDerWaalsContact O-ND2 3.1Å
262	H	94	Very high	93.7	Very high	109 Å²	109	62.2 Å²	62.2	51%	0.505	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	157.5	-172.3	-54.5	92.4	0	0	0	110.7	T269	H262-T269 PolarHBondContact N-O 3.4Å; H262-T269 PolarHBondContact O-N 3.47Å
263	C	94.4	Very high	93.1	Very high	52 Å²	52	59.5 Å²	59.5	35%	0.351	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.6	168.7	63.9	0	0	0	0	110.2	N267 A288 A292	C263-N267 CarbonylContact C-O 3.47Å; C263-N267 VanDerWaalsContact CA-O 3.26Å; C263-N267 WeakPolarHBondContact CA-O 3.4Å; C263-A288 HydrophobicContact CB-CB 4.39Å; C263-A292 HydrophobicContact CB-CB 3.92Å
264	N	95	Very high	92.1	Very high	108 Å²	108	66.3 Å²	66.3	58%	0.578	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	110.9	172	-178	1.6	0	0	0	109.1	R266 N267	N264-R266 PolarHBondContact O-N 3.25Å; N264-R266 VanDerWaalsContact O-N 3.14Å; N264-N267 PolarHBondContact N-O 2.92Å; N264-N267 WeakPolarHBondContact O-CB 3.18Å; N264-N267 PolarHBondContact O-N 2.86Å
265	K	94.6	Very high	91.1	Very high	170 Å²	170	64.3 Å²	64.3	74%	0.739	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-117.9	-170.7	-58.6	173.3	-178.2	176.5	0	109.5	A285	K265-A285 WeakPolarHBondContact O-CA 3.44Å; K265-A285 WeakPolarHBondContact O-CB 3.4Å
266	R	96.1	Very high	90.4	Very high	134 Å²	134	68.4 Å²	68.4	51%	0.506	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.6	179.3	-57.2	-169	-176.4	-169.2	4.2	113.7	N264 M282 E283 A285	N264-R266 PolarHBondContact O-N 3.25Å; N264-R266 VanDerWaalsContact O-N 3.14Å; R266-M282 PolarHBondContact O-N 2.87Å; R266-E283 PolarHBondContact NH1-O 2.9Å; R266-A285 HydrophobicContact CG-CB 4.4Å
267	N	96.1	Very high	90.1	Very high	67 Å²	67	67.1 Å²	67.1	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.9	-177	-62.1	-2.9	0	0	0	108.9	C263 N264 F280	C263-N267 CarbonylContact C-O 3.47Å; C263-N267 VanDerWaalsContact CA-O 3.26Å; C263-N267 WeakPolarHBondContact CA-O 3.4Å; N264-N267 PolarHBondContact N-O 2.92Å; N264-N267 WeakPolarHBondContact O-CB 3.18Å; N264-N267 PolarHBondContact O-N 2.86Å; N267-F280 CarbonylContact C-O 3.58Å; N267-F280 WeakPolarHBondContact CA-O 3.14Å
268	F	96.7	Very high	90.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	172.5	172.3	-108.8	0	0	0	107.7	V234 I261 V270 F280 M282 A291 A292 F295	V234-F268 HydrophobicContact CG1-CD1 4.31Å; V234-F268 HydrophobicContact CG1-CE1 4.38Å; V234-F268 HydrophobicContact CG2-CE1 3.98Å; I261-F268 HydrophobicContact CG2-CD2 4.43Å; I261-F268 HydrophobicContact CG2-CE2 3.36Å; I261-F268 HydrophobicContact CG2-CZ 3.67Å; F268-V270 HydrophobicContact CE1-CG2 3.66Å; F268-V270 HydrophobicContact CZ-CG2 3.69Å; F268-F280 HydrophobicContact CB-CB 4.41Å; F268-F280 HydrophobicContact CD1-CB 4.18Å; F268-F280 AromaticContact CD1-CD2 3.67Å; F268-F280 HydrophobicContact CD1-CD2 3.67Å; F268-F280 HydrophobicContact CD1-CG 4.31Å; F268-F280 HydrophobicContact CE1-CD2 4.08Å; F268-F280 PolarHBondContact N-O 3.32Å; F268-F280 PolarHBondContact O-N 3.38Å; F268-M282 HydrophobicContact CB-CG 3.8Å; F268-M282 HydrophobicContact CB-SD 4.07Å; F268-A291 HydrophobicContact CD2-CB 4.41Å; F268-A291 HydrophobicContact CE2-CB 4.48Å; F268-A292 HydrophobicContact CD2-CB 4.05Å; F268-A292 HydrophobicContact CE2-CB 3.97Å; F268-F295 HydrophobicContact CE1-CD1 4.17Å; F268-F295 HydrophobicContact CE1-CE1 4.04Å; F268-F295 HydrophobicContact CZ-CB 4.41Å; F268-F295 AromaticContact CZ-CD1 3.54Å; F268-F295 HydrophobicContact CZ-CD1 3.54Å; F268-F295 AromaticContact CZ-CE1 3.87Å; F268-F295 HydrophobicContact CZ-CE1 3.87Å; F268-F295 AromaticContact CZ-CG 3.95Å; F268-F295 HydrophobicContact CZ-CG 3.95Å; F268-F295 HydrophobicContact CZ-CZ 4.48Å
269	T	95.4	Very high	90.2	Very high	30 Å²	30	66 Å²	66	18%	0.184	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.6	-172.6	-51.7	0	0	0	0	110.6	H262 N277 L278	H262-T269 PolarHBondContact N-O 3.4Å; H262-T269 PolarHBondContact O-N 3.47Å; T269-N277 HydrophobicContact CG2-CB 3.98Å; T269-L278 CarbonylContact C-O 3.58Å; T269-L278 WeakPolarHBondContact CA-O 3.31Å
270	V	95.1	Very high	90.4	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.8	174.3	179.8	0	0	0	0	108.1	L241 V258 I261 F268 N277 L278	L241-V270 HydrophobicContact CD1-CB 4.21Å; L241-V270 HydrophobicContact CD1-CG1 3.31Å; L241-V270 HydrophobicContact CD1-CG2 4.02Å; V258-V270 HydrophobicContact CG1-CG1 3.75Å; V258-V270 HydrophobicContact CG2-CG1 4.17Å; I261-V270 HydrophobicContact CG1-CG1 4.38Å; I261-V270 HydrophobicContact CG1-CG2 4.44Å; I261-V270 HydrophobicContact CG2-CG2 4.42Å; F268-V270 HydrophobicContact CE1-CG2 3.66Å; F268-V270 HydrophobicContact CZ-CG2 3.69Å; V270-N277 CarbonylContact O-C 3.6Å; V270-N277 WeakPolarHBondContact O-CA 3.35Å; V270-L278 HydrophobicContact CB-CB 4.27Å; V270-L278 PolarHBondContact N-O 2.9Å; V270-L278 PolarHBondContact O-N 3.11Å
271	N	92.7	Very high	90.6	Very high	47 Å²	47	66.2 Å²	66.2	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.3	174.6	-61.4	-2.5	0	0	0	108.4	V258 C259 G260 N277	V258-N271 CarbonylContact C-O 3.55Å; C259-N271 HydrophobicContact CB-CB 4.3Å; C259-N271 PolarHBondContact N-O 3.29Å; G260-N271 PolarHBondContact N-O 2.8Å; G260-N271 PolarHBondContact O-N 3.42Å; N271-N277 WeakPolarHBondContact CA-OD1 3.29Å; N271-N277 WeakPolarHBondContact CB-OD1 3.43Å; N271-N277 VanDerWaalsContact CG-OD1 3.26Å; N271-N277 PolarHBondContact OD1-OD1 3.06Å; N271-N277 VanDerWaalsContact OD1-OD1 3.08Å
272	C	87.8	Confident	90.6	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145	176.2	-64.5	0	0	0	0	109.5	E257 E274 L275	E257-C272 CarbonylContact O-C 3.59Å; E257-C272 WeakPolarHBondContact O-CA 3.24Å; C272-E274 PolarHBondContact O-N 3.4Å; C272-L275 HydrophobicContact CB-CB 3.95Å
273	A	80.3	Confident	90.6	Very high	58 Å²	58	67.2 Å²	67.2	48%	0.479	35%	0.35	S	S	.	.	S	Bend	trans	-62.5	-42.9	-173.9	0	0	0	0	0	113.2	E257 C259	E257-A273 PolarHBondContact O-N 3Å; C259-A273 WeakPolarHBondContact SG-CA 3.47Å; C259-A273 WeakPolarHBondContact SG-CB 3.02Å; C259-A273 PolarHBondContact SG-N 2.88Å
274	E	74.3	Confident	90.6	Very high	177 Å²	177	65.7 Å²	65.7	83%	0.827	34%	0.338	S	S	*	.	S	Bend	trans	-109.6	3.3	-170.1	-59.1	-61.3	155.9	0	0	113.1	C272	C272-E274 PolarHBondContact O-N 3.4Å
275	L	72.9	Confident	90.6	Very high	90 Å²	90	62.7 Å²	62.7	47%	0.471	33%	0.328	S	S	.	.	S	Bend	trans	-133.8	162.1	-172.5	-66.8	168.6	0	0	0	111.1	Y253 C272	Y253-L275 HydrophobicContact CD1-CD1 3.7Å; Y253-L275 HydrophobicContact CE1-CD1 3.43Å; Y253-L275 VanDerWaalsContact CE1-CD1 3.43Å; C272-L275 HydrophobicContact CB-CB 3.95Å
276	S	78.7	Confident	90.6	Very high	90 Å²	90	59 Å²	59	63%	0.629	31%	0.313	S	S	*	.			trans	-57.2	148.5	168.5	54.4	0	0	0	0	110.7	L278	S276-L278 PolarHBondContact O-N 3.01Å
277	N	86.2	Confident	90.5	Very high	79 Å²	79	53.6 Å²	53.6	42%	0.422	30%	0.295	S	S	.	.			trans	-57.2	129.8	174	-60.7	-37.5	0	0	0	109.1	T269 V270 N271 C279	T269-N277 HydrophobicContact CG2-CB 3.98Å; V270-N277 CarbonylContact O-C 3.6Å; V270-N277 WeakPolarHBondContact O-CA 3.35Å; N271-N277 WeakPolarHBondContact CA-OD1 3.29Å; N271-N277 WeakPolarHBondContact CB-OD1 3.43Å; N271-N277 VanDerWaalsContact CG-OD1 3.26Å; N271-N277 PolarHBondContact OD1-OD1 3.06Å; N271-N277 VanDerWaalsContact OD1-OD1 3.08Å; N277-C279 PolarHBondContact O-N 3.28Å
278	L	91.1	Very high	90.6	Very high	26 Å²	26	50.4 Å²	50.4	14%	0.136	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.9	173.6	-53.7	173.3	0	0	0	107.6	Y253 T269 V270 S276 F280	Y253-L278 HydrophobicContact CD1-CD1 4.5Å; Y253-L278 HydrophobicContact CD2-CD1 3.7Å; Y253-L278 HydrophobicContact CE1-CD1 4.29Å; Y253-L278 HydrophobicContact CE2-CD1 3.44Å; Y253-L278 VanDerWaalsContact CE2-CD1 3.44Å; Y253-L278 HydrophobicContact CG-CD1 4.22Å; T269-L278 CarbonylContact C-O 3.58Å; T269-L278 WeakPolarHBondContact CA-O 3.31Å; V270-L278 HydrophobicContact CB-CB 4.27Å; V270-L278 PolarHBondContact N-O 2.9Å; V270-L278 PolarHBondContact O-N 3.11Å; S276-L278 PolarHBondContact O-N 3.01Å; L278-F280 HydrophobicContact CB-CE2 3.59Å; L278-F280 HydrophobicContact CB-CZ 3.87Å
279	C	93	Very high	90.5	Very high	29 Å²	29	56.5 Å²	56.5	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.5	177.3	-167.4	0	0	0	0	110.6	E227 N277	E227-C279 HydrophobicContact CG-CB 3.72Å; E227-C279 WeakPolarHBondContact OE1-CB 3.42Å; N277-C279 PolarHBondContact O-N 3.28Å
280	F	96.1	Very high	90.5	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.6	179.1	-54.5	-81	0	0	0	110.2	R225 V232 V234 V243 N267 F268 L278 M282	R225-F280 CarbonylContact O-C 3.59Å; R225-F280 WeakPolarHBondContact O-CA 3.49Å; V232-F280 HydrophobicContact CG2-CD1 3.68Å; V232-F280 HydrophobicContact CG2-CE1 3.9Å; V234-F280 HydrophobicContact CB-CD1 4.37Å; V234-F280 HydrophobicContact CB-CD2 4.43Å; V234-F280 HydrophobicContact CB-CE1 4.36Å; V234-F280 HydrophobicContact CB-CE2 4.4Å; V234-F280 HydrophobicContact CB-CG 4.39Å; V234-F280 HydrophobicContact CB-CZ 4.37Å; V234-F280 HydrophobicContact CG1-CG 4.38Å; V234-F280 HydrophobicContact CG2-CD2 4.15Å; V234-F280 HydrophobicContact CG2-CE2 3.86Å; V234-F280 HydrophobicContact CG2-CZ 4.09Å; V243-F280 HydrophobicContact CG1-CE1 3.99Å; V243-F280 HydrophobicContact CG1-CZ 4.28Å; V243-F280 HydrophobicContact CG2-CE1 4.29Å; V243-F280 HydrophobicContact CG2-CZ 3.74Å; N267-F280 CarbonylContact C-O 3.58Å; N267-F280 WeakPolarHBondContact CA-O 3.14Å; F268-F280 HydrophobicContact CB-CB 4.41Å; F268-F280 HydrophobicContact CD1-CB 4.18Å; F268-F280 AromaticContact CD1-CD2 3.67Å; F268-F280 HydrophobicContact CD1-CD2 3.67Å; F268-F280 HydrophobicContact CD1-CG 4.31Å; F268-F280 HydrophobicContact CE1-CD2 4.08Å; F268-F280 PolarHBondContact N-O 3.32Å; F268-F280 PolarHBondContact O-N 3.38Å; L278-F280 HydrophobicContact CB-CE2 3.59Å; L278-F280 HydrophobicContact CB-CZ 3.87Å; F280-M282 HydrophobicContact CB-SD 4.38Å
281	Q	96.6	Very high	90.6	Very high	99 Å²	99	56.2 Å²	56.2	46%	0.463	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.1	171.6	-171.3	178.2	32.6	0	0	109.8	G224 R225	G224-Q281 CarbonylContact C-O 3.47Å; G224-Q281 VanDerWaalsContact CA-O 3.22Å; G224-Q281 WeakPolarHBondContact CA-O 3.46Å; R225-Q281 HydrophobicContact CB-CB 4.36Å; R225-Q281 PolarHBondContact N-O 3.43Å; R225-Q281 PolarHBondContact O-N 2.67Å
282	M	96.1	Very high	90.8	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	166.5	179.9	-49.6	-65.3	-78.1	0	0	111	F222 V234 R266 F268 F280 D284 T287 A288 A291	F222-M282 HydrophobicContact CB-CE 3.4Å; F222-M282 HydrophobicContact CD1-CE 4.33Å; F222-M282 HydrophobicContact CG-CE 4.1Å; V234-M282 HydrophobicContact CG1-SD 4.36Å; R266-M282 PolarHBondContact O-N 2.87Å; F268-M282 HydrophobicContact CB-CG 3.8Å; F268-M282 HydrophobicContact CB-SD 4.07Å; F280-M282 HydrophobicContact CB-SD 4.38Å; M282-D284 VanDerWaalsContact C-N 3.31Å; M282-D284 PolarHBondContact O-N 3.23Å; M282-T287 HydrophobicContact CE-CG2 4.05Å; M282-A288 HydrophobicContact CB-CB 4.02Å; M282-A288 HydrophobicContact CG-CB 3.73Å; M282-A291 HydrophobicContact CE-CB 4.02Å
283	E	94.1	Very high	91.2	Very high	133 Å²	133	56.1 Å²	56.1	62%	0.621	30%	0.298	S	S	*	.	S	Bend	trans	-53.3	-48.9	177	-174.8	-175.2	170.5	0	0	111.9	R266	R266-E283 PolarHBondContact NH1-O 2.9Å
284	D	94.1	Very high	92	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	28%	0.275	C	S	.	.	S	Bend	trans	-145.9	167.6	-176.9	73.8	71.8	0	0	0	112.6	R70 M282 E286 T287 A288	R70-D284 IonicContact CZ-OD2 2.87Å; R70-D284 IonicContact NH1-OD2 3.01Å; R70-D284 PolarHBondContact NH1-OD2 3.33Å; R70-D284 IonicContact NH2-OD2 3.89Å; M282-D284 VanDerWaalsContact C-N 3.31Å; M282-D284 PolarHBondContact O-N 3.23Å; D284-E286 VanDerWaalsContact C-N 3.33Å; D284-E286 PolarHBondContact O-N 3.45Å; D284-E286 VanDerWaalsContact OD1-CA 3.29Å; D284-E286 WeakPolarHBondContact OD1-CA 3.44Å; D284-E286 WeakPolarHBondContact OD1-CB 3.49Å; D284-E286 PolarHBondContact OD1-N 3.46Å; D284-T287 PolarHBondContact OD1-N 2.94Å; D284-T287 PolarHBondContact OD1-OG1 2.73Å; D284-T287 PolarHBondContact OD2-OG1 2.91Å; D284-A288 PolarHBondContact O-N 2.81Å; D284-A288 VanDerWaalsContact O-N 3.1Å
285	A	95.6	Very high	93.1	Very high	46 Å²	46	45 Å²	45	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-73.2	-25.5	-174.7	0	0	0	0	0	113.6	K265 R266 K289	K265-A285 WeakPolarHBondContact O-CA 3.44Å; K265-A285 WeakPolarHBondContact O-CB 3.4Å; R266-A285 HydrophobicContact CG-CB 4.4Å; A285-K289 WeakPolarHBondContact O-CB 3.46Å; A285-K289 PolarHBondContact O-N 3.48Å; A285-K289 VanDerWaalsContact O-N 3.09Å
286	E	93.4	Very high	94.2	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-72.8	-43	176.6	-168.1	-168.6	-164.3	0	0	110.2	R74 D284 K289 Y290	R74-E286 IonicContact CZ-OE1 3.77Å; R74-E286 IonicContact CZ-OE2 2.65Å; R74-E286 IonicContact NH1-OE1 3.79Å; R74-E286 PolarHBondContact NH1-OE1 3.19Å; R74-E286 IonicContact NH1-OE2 3.93Å; R74-E286 PolarHBondContact NH1-OE2 2.9Å; R74-E286 VanDerWaalsContact NH2-CD 3.32Å; R74-E286 IonicContact NH2-OE1 2.77Å; R74-E286 IonicContact NH2-OE2 2.76Å; R74-E286 PolarHBondContact NH2-OE2 2.86Å; D284-E286 VanDerWaalsContact C-N 3.33Å; D284-E286 PolarHBondContact O-N 3.45Å; D284-E286 VanDerWaalsContact OD1-CA 3.29Å; D284-E286 WeakPolarHBondContact OD1-CA 3.44Å; D284-E286 WeakPolarHBondContact OD1-CB 3.49Å; D284-E286 PolarHBondContact OD1-N 3.46Å; E286-K289 PolarHBondContact O-N 3.07Å; E286-Y290 WeakPolarHBondContact O-CB 3.35Å; E286-Y290 PolarHBondContact O-N 3.11Å
287	T	95.1	Very high	95.1	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-42.4	174.8	-61.6	0	0	0	0	111.4	F222 M282 D284 K289 Y290 A291	F222-T287 HydrophobicContact CD1-CG2 4.34Å; M282-T287 HydrophobicContact CE-CG2 4.05Å; D284-T287 PolarHBondContact OD1-N 2.94Å; D284-T287 PolarHBondContact OD1-OG1 2.73Å; D284-T287 PolarHBondContact OD2-OG1 2.91Å; T287-K289 PolarHBondContact O-N 2.83Å; T287-Y290 PolarHBondContact O-N 3.49Å; T287-A291 WeakPolarHBondContact O-CB 3.39Å; T287-A291 PolarHBondContact O-N 3.33Å
288	A	96.7	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-42.3	173.5	0	0	0	0	0	112.9	C263 M282 D284 A292	C263-A288 HydrophobicContact CB-CB 4.39Å; M282-A288 HydrophobicContact CB-CB 4.02Å; M282-A288 HydrophobicContact CG-CB 3.73Å; D284-A288 PolarHBondContact O-N 2.81Å; D284-A288 VanDerWaalsContact O-N 3.1Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 2.92Å
289	K	96.1	Very high	95.8	Very high	129 Å²	129	37.2 Å²	37.2	56%	0.561	19%	0.188	S	C	*	.	H	α-helix	trans	-66.1	-42.1	177	-175.5	-179.8	178	-176.4	0	112.1	A285 E286 T287 A292 F293	A285-K289 WeakPolarHBondContact O-CB 3.46Å; A285-K289 PolarHBondContact O-N 3.48Å; A285-K289 VanDerWaalsContact O-N 3.09Å; E286-K289 PolarHBondContact O-N 3.07Å; T287-K289 PolarHBondContact O-N 2.83Å; K289-A292 PolarHBondContact O-N 3.32Å; K289-F293 WeakPolarHBondContact O-CB 3.41Å; K289-F293 PolarHBondContact O-N 3.33Å
290	Y	95.5	Very high	95.9	Very high	25 Å²	25	43.4 Å²	43.4	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-45.5	177.2	175	-105.8	0	0	0	111.7	R74 W75 F222 E286 T287 A292 F293 L294	R74-Y290 WeakPolarHBondContact CA-OH 3.38Å; R74-Y290 HydrophobicContact CB-CD2 4.24Å; R74-Y290 HydrophobicContact CB-CE2 3.68Å; R74-Y290 HydrophobicContact CG-CD1 4.34Å; R74-Y290 HydrophobicContact CG-CD2 4.19Å; R74-Y290 HydrophobicContact CG-CE1 4.09Å; R74-Y290 HydrophobicContact CG-CE2 3.93Å; R74-Y290 HydrophobicContact CG-CG 4.38Å; W75-Y290 HydrophobicContact CB-CE2 4.37Å; W75-Y290 PolarHBondContact N-OH 3.19Å; F222-Y290 AromaticContact CE1-CD1 3.68Å; F222-Y290 HydrophobicContact CE1-CD1 3.68Å; F222-Y290 AromaticContact CE1-CE1 3.71Å; F222-Y290 HydrophobicContact CE1-CE1 3.71Å; F222-Y290 HydrophobicContact CZ-CD1 4.07Å; F222-Y290 AromaticContact CZ-CE1 3.77Å; F222-Y290 HydrophobicContact CZ-CE1 3.77Å; E286-Y290 WeakPolarHBondContact O-CB 3.35Å; E286-Y290 PolarHBondContact O-N 3.11Å; T287-Y290 PolarHBondContact O-N 3.49Å; Y290-A292 VanDerWaalsContact C-N 3.34Å; Y290-A292 PolarHBondContact O-N 3.2Å; Y290-F293 HydrophobicContact CD2-CD1 4.24Å; Y290-F293 HydrophobicContact CE2-CD1 4.36Å; Y290-F293 WeakPolarHBondContact O-CB 3.15Å; Y290-F293 PolarHBondContact O-N 2.93Å; Y290-L294 HydrophobicContact CE1-CD2 4.26Å; Y290-L294 WeakPolarHBondContact O-CB 3.36Å; Y290-L294 PolarHBondContact O-N 3.32Å
291	A	96.8	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-46.4	174.2	0	0	0	0	0	111	F222 F268 M282 T287 F293 L294 F295	F222-A291 HydrophobicContact CD1-CB 4.14Å; F222-A291 HydrophobicContact CD2-CB 4.31Å; F222-A291 HydrophobicContact CE1-CB 4.33Å; F222-A291 HydrophobicContact CG-CB 4.13Å; F268-A291 HydrophobicContact CD2-CB 4.41Å; F268-A291 HydrophobicContact CE2-CB 4.48Å; M282-A291 HydrophobicContact CE-CB 4.02Å; T287-A291 WeakPolarHBondContact O-CB 3.39Å; T287-A291 PolarHBondContact O-N 3.33Å; A291-F293 PolarHBondContact O-N 3.18Å; A291-L294 PolarHBondContact O-N 3.21Å; A291-F295 HydrophobicContact CB-CE2 4.49Å; A291-F295 WeakPolarHBondContact O-CB 3.29Å; A291-F295 WeakPolarHBondContact O-CD2 3.36Å; A291-F295 WeakPolarHBondContact O-CG 3.21Å; A291-F295 PolarHBondContact O-N 3.38Å
292	A	96.9	Very high	95.7	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-43	175.5	0	0	0	0	0	113.5	I261 C263 F268 A288 K289 Y290 N296	I261-A292 HydrophobicContact CG2-CB 4.4Å; C263-A292 HydrophobicContact CB-CB 3.92Å; F268-A292 HydrophobicContact CD2-CB 4.05Å; F268-A292 HydrophobicContact CE2-CB 3.97Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 2.92Å; K289-A292 PolarHBondContact O-N 3.32Å; Y290-A292 VanDerWaalsContact C-N 3.34Å; Y290-A292 PolarHBondContact O-N 3.2Å; A292-N296 WeakPolarHBondContact O-CB 3.36Å; A292-N296 PolarHBondContact O-N 3Å; A292-N296 VanDerWaalsContact O-N 3.08Å; A292-N296 PolarHBondContact O-ND2 3.3Å
293	F	95.9	Very high	95.5	Very high	48 Å²	48	44.1 Å²	44.1	21%	0.211	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-52.6	173.4	158	-104	0	0	0	111.1	W75 E77 K289 Y290 A291 F295 N296 L297	W75-F293 HydrophobicContact CB-CE1 4.43Å; E77-F293 HydrophobicContact CB-CE2 4.26Å; E77-F293 HydrophobicContact CB-CZ 4.31Å; E77-F293 HydrophobicContact CG-CD1 4.45Å; E77-F293 HydrophobicContact CG-CD2 4.05Å; E77-F293 HydrophobicContact CG-CE1 4.15Å; E77-F293 HydrophobicContact CG-CE2 3.73Å; E77-F293 HydrophobicContact CG-CG 4.41Å; E77-F293 HydrophobicContact CG-CZ 3.78Å; K289-F293 WeakPolarHBondContact O-CB 3.41Å; K289-F293 PolarHBondContact O-N 3.33Å; Y290-F293 HydrophobicContact CD2-CD1 4.24Å; Y290-F293 HydrophobicContact CE2-CD1 4.36Å; Y290-F293 WeakPolarHBondContact O-CB 3.15Å; Y290-F293 PolarHBondContact O-N 2.93Å; A291-F293 PolarHBondContact O-N 3.18Å; F293-F295 PolarHBondContact O-N 2.94Å; F293-N296 PolarHBondContact O-N 3.45Å; F293-L297 HydrophobicContact CE1-CD2 4.38Å; F293-L297 HydrophobicContact CE2-CD2 4.43Å; F293-L297 HydrophobicContact CZ-CD2 3.89Å; F293-L297 WeakPolarHBondContact O-CB 3.36Å; F293-L297 PolarHBondContact O-N 3.1Å
294	L	96.9	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-42.1	-174	-172.5	59.5	0	0	0	111.9	W75 I101 E220 F222 Y236 Y290 A291 N296 L297 Q298	W75-L294 HydrophobicContact CG-CD1 4.27Å; I101-L294 HydrophobicContact CD1-CD1 4.37Å; E220-L294 HydrophobicContact CG-CD2 4.49Å; E220-L294 WeakPolarHBondContact OE1-CD2 3.38Å; F222-L294 HydrophobicContact CE2-CD2 4.19Å; F222-L294 HydrophobicContact CZ-CD2 3.85Å; Y236-L294 HydrophobicContact CE1-CD2 3.64Å; Y236-L294 HydrophobicContact CE1-CG 3.68Å; Y290-L294 HydrophobicContact CE1-CD2 4.26Å; Y290-L294 WeakPolarHBondContact O-CB 3.36Å; Y290-L294 PolarHBondContact O-N 3.32Å; A291-L294 PolarHBondContact O-N 3.21Å; L294-N296 PolarHBondContact O-N 3.04Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.44Å; L294-L297 PolarHBondContact O-N 3.05Å; L294-Q298 VanDerWaalsContact O-CG 3.29Å; L294-Q298 WeakPolarHBondContact O-CG 3.04Å; L294-Q298 PolarHBondContact O-N 3.17Å
295	F	97.6	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-40.3	178.7	-79.9	-133.5	0	0	0	111.7	F222 V234 Y236 L241 I261 F268 A291 F293 L297 Q298 S299	F222-F295 AromaticContact CD2-CE2 3.61Å; F222-F295 HydrophobicContact CD2-CE2 3.61Å; F222-F295 HydrophobicContact CD2-CZ 4.14Å; F222-F295 HydrophobicContact CE2-CD2 4.44Å; F222-F295 AromaticContact CE2-CE2 3.62Å; F222-F295 HydrophobicContact CE2-CE2 3.62Å; V234-F295 HydrophobicContact CG2-CE1 3.87Å; V234-F295 HydrophobicContact CG2-CZ 4.06Å; Y236-F295 AromaticContact CD1-CD2 3.69Å; Y236-F295 HydrophobicContact CD1-CD2 3.69Å; Y236-F295 AromaticContact CD1-CE2 3.63Å; Y236-F295 HydrophobicContact CD1-CE2 3.63Å; Y236-F295 HydrophobicContact CD1-CG 4.31Å; Y236-F295 HydrophobicContact CD1-CZ 4.17Å; Y236-F295 HydrophobicContact CE1-CD2 4.28Å; Y236-F295 HydrophobicContact CE1-CE2 4.25Å; L241-F295 HydrophobicContact CD2-CD1 3.18Å; L241-F295 HydrophobicContact CD2-CE1 3.39Å; L241-F295 HydrophobicContact CD2-CG 4.34Å; I261-F295 HydrophobicContact CD1-CB 3.73Å; I261-F295 HydrophobicContact CG2-CB 4.19Å; F268-F295 HydrophobicContact CE1-CD1 4.17Å; F268-F295 HydrophobicContact CE1-CE1 4.04Å; F268-F295 HydrophobicContact CZ-CB 4.41Å; F268-F295 AromaticContact CZ-CD1 3.54Å; F268-F295 HydrophobicContact CZ-CD1 3.54Å; F268-F295 AromaticContact CZ-CE1 3.87Å; F268-F295 HydrophobicContact CZ-CE1 3.87Å; F268-F295 AromaticContact CZ-CG 3.95Å; F268-F295 HydrophobicContact CZ-CG 3.95Å; F268-F295 HydrophobicContact CZ-CZ 4.48Å; A291-F295 HydrophobicContact CB-CE2 4.49Å; A291-F295 WeakPolarHBondContact O-CB 3.29Å; A291-F295 WeakPolarHBondContact O-CD2 3.36Å; A291-F295 WeakPolarHBondContact O-CG 3.21Å; A291-F295 PolarHBondContact O-N 3.38Å; F293-F295 PolarHBondContact O-N 2.94Å; F295-L297 VanDerWaalsContact C-N 3.3Å; F295-L297 PolarHBondContact O-N 3.44Å; F295-Q298 PolarHBondContact O-N 3.37Å; F295-S299 VanDerWaalsContact O-CB 3.23Å; F295-S299 WeakPolarHBondContact O-CB 3.04Å; F295-S299 PolarHBondContact O-N 2.7Å
296	N	96.8	Very high	94.2	Very high	72 Å²	72	41.8 Å²	41.8	39%	0.385	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-39.6	173	-84.7	-69.1	0	0	0	111.4	I261 A292 F293 L294 K300	I261-N296 PolarHBondContact O-ND2 3.48Å; I261-N296 VanDerWaalsContact O-ND2 3.1Å; A292-N296 WeakPolarHBondContact O-CB 3.36Å; A292-N296 PolarHBondContact O-N 3Å; A292-N296 VanDerWaalsContact O-N 3.08Å; A292-N296 PolarHBondContact O-ND2 3.3Å; F293-N296 PolarHBondContact O-N 3.45Å; L294-N296 PolarHBondContact O-N 3.04Å; N296-K300 VanDerWaalsContact O-CB 3.24Å; N296-K300 WeakPolarHBondContact O-CB 3.29Å; N296-K300 PolarHBondContact O-N 3.2Å
297	L	96.2	Very high	93.5	Very high	42 Å²	42	39.3 Å²	39.3	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-49.1	178	-171.4	66.3	0	0	0	111.4	I101 Y102 F293 L294 F295 K300 F301	I101-L297 HydrophobicContact CD1-CD2 3.51Å; Y102-L297 HydrophobicContact CE1-CG 4.13Å; Y102-L297 WeakPolarHBondContact OH-CD1 3.44Å; Y102-L297 WeakPolarHBondContact OH-CG 3.49Å; F293-L297 HydrophobicContact CE1-CD2 4.38Å; F293-L297 HydrophobicContact CE2-CD2 4.43Å; F293-L297 HydrophobicContact CZ-CD2 3.89Å; F293-L297 WeakPolarHBondContact O-CB 3.36Å; F293-L297 PolarHBondContact O-N 3.1Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.44Å; L294-L297 PolarHBondContact O-N 3.05Å; F295-L297 VanDerWaalsContact C-N 3.3Å; F295-L297 PolarHBondContact O-N 3.44Å; L297-K300 PolarHBondContact O-N 2.97Å; L297-F301 PolarHBondContact O-N 3.37Å; L297-F301 VanDerWaalsContact O-N 3.09Å
298	Q	96.9	Very high	92.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.7	-65	-67.4	-12.5	0	0	111.7	I101 Y236 W255 L294 F295 K300 F301 F302	I101-Q298 PolarHBondContact O-NE2 2.88Å; Y236-Q298 HydrophobicContact CD1-CG 4.1Å; Y236-Q298 HydrophobicContact CD2-CB 4.3Å; Y236-Q298 HydrophobicContact CD2-CG 3.74Å; Y236-Q298 HydrophobicContact CE1-CG 3.92Å; Y236-Q298 HydrophobicContact CE2-CG 3.58Å; Y236-Q298 HydrophobicContact CG-CB 4.37Å; Y236-Q298 HydrophobicContact CG-CG 4Å; Y236-Q298 PolarHBondContact OH-NE2 2.89Å; W255-Q298 HydrophobicContact CH2-CB 4.4Å; W255-Q298 HydrophobicContact CZ2-CB 4.02Å; L294-Q298 VanDerWaalsContact O-CG 3.29Å; L294-Q298 WeakPolarHBondContact O-CG 3.04Å; L294-Q298 PolarHBondContact O-N 3.17Å; F295-Q298 PolarHBondContact O-N 3.37Å; Q298-K300 VanDerWaalsContact C-N 3.35Å; Q298-K300 PolarHBondContact O-N 3.26Å; Q298-F301 PolarHBondContact O-N 3.49Å; Q298-F302 VanDerWaalsContact O-CD2 3.31Å; Q298-F302 WeakPolarHBondContact O-CD2 3.35Å; Q298-F302 PolarHBondContact O-N 2.65Å; Q298-F302 VanDerWaalsContact OE1-CE2 3.23Å
299	S	95.2	Very high	91.3	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-46.4	178.6	-172	0	0	0	0	112	W255 F295 F301 R303	W255-S299 VanDerWaalsContact CE3-CB 3.48Å; W255-S299 VanDerWaalsContact CE3-OG 3.29Å; F295-S299 VanDerWaalsContact O-CB 3.23Å; F295-S299 WeakPolarHBondContact O-CB 3.04Å; F295-S299 PolarHBondContact O-N 2.7Å; S299-F301 PolarHBondContact O-N 2.93Å; S299-R303 VanDerWaalsContact O-CB 3.28Å; S299-R303 WeakPolarHBondContact O-CB 3.45Å; S299-R303 WeakPolarHBondContact O-CG 3.45Å; S299-R303 PolarHBondContact O-N 2.76Å; S299-R303 PolarHBondContact OG-NE 2.95Å; S299-R303 PolarHBondContact OG-NH2 3.49Å
300	K	94.8	Very high	89.7	Confident	160 Å²	160	47.6 Å²	47.6	70%	0.696	24%	0.239	S	C	*	.	H	α-helix	trans	-61.4	-44.9	178.5	-177.3	-178.4	176.9	-173.8	0	111.5	N296 L297 Q298 S304	N296-K300 VanDerWaalsContact O-CB 3.24Å; N296-K300 WeakPolarHBondContact O-CB 3.29Å; N296-K300 PolarHBondContact O-N 3.2Å; L297-K300 PolarHBondContact O-N 2.97Å; Q298-K300 VanDerWaalsContact C-N 3.35Å; Q298-K300 PolarHBondContact O-N 3.26Å; K300-S304 WeakPolarHBondContact O-CB 3.29Å; K300-S304 PolarHBondContact O-N 3.18Å
301	F	95.1	Very high	88	Confident	24 Å²	24	53.9 Å²	53.9	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-58	179.5	178.5	-94.9	0	0	0	111.3	I60 F61 Y102 L297 Q298 S299 R303 S304 V305	I60-F301 HydrophobicContact CD1-CE2 4.39Å; F61-F301 HydrophobicContact CD1-CZ 4.11Å; F61-F301 AromaticContact CE1-CZ 3.94Å; F61-F301 HydrophobicContact CE1-CZ 3.94Å; Y102-F301 HydrophobicContact CD1-CB 3.67Å; Y102-F301 AromaticContact CD1-CD1 3.59Å; Y102-F301 HydrophobicContact CD1-CD1 3.59Å; Y102-F301 HydrophobicContact CD1-CD2 4.04Å; Y102-F301 HydrophobicContact CD1-CE1 4.23Å; Y102-F301 AromaticContact CD1-CG 3.47Å; Y102-F301 HydrophobicContact CD1-CG 3.47Å; Y102-F301 VanDerWaalsContact CD1-CG 3.47Å; Y102-F301 HydrophobicContact CD2-CD1 4.34Å; Y102-F301 AromaticContact CD2-CD2 3.67Å; Y102-F301 HydrophobicContact CD2-CD2 3.67Å; Y102-F301 HydrophobicContact CD2-CE1 4.41Å; Y102-F301 AromaticContact CD2-CE2 3.73Å; Y102-F301 HydrophobicContact CD2-CE2 3.73Å; Y102-F301 AromaticContact CD2-CG 3.99Å; Y102-F301 HydrophobicContact CD2-CG 3.99Å; Y102-F301 HydrophobicContact CD2-CZ 4.12Å; Y102-F301 HydrophobicContact CE1-CB 3.4Å; Y102-F301 VanDerWaalsContact CE1-CB 3.4Å; Y102-F301 HydrophobicContact CE1-CD1 4.23Å; Y102-F301 HydrophobicContact CE1-CD2 4.1Å; Y102-F301 AromaticContact CE1-CG 3.66Å; Y102-F301 HydrophobicContact CE1-CG 3.66Å; Y102-F301 AromaticContact CE2-CD2 3.74Å; Y102-F301 HydrophobicContact CE2-CD2 3.74Å; Y102-F301 HydrophobicContact CE2-CE2 4.17Å; Y102-F301 HydrophobicContact CE2-CG 4.15Å; Y102-F301 HydrophobicContact CG-CB 4.33Å; Y102-F301 AromaticContact CG-CD1 3.65Å; Y102-F301 HydrophobicContact CG-CD1 3.65Å; Y102-F301 AromaticContact CG-CD2 3.82Å; Y102-F301 HydrophobicContact CG-CD2 3.82Å; Y102-F301 AromaticContact CG-CE1 3.83Å; Y102-F301 HydrophobicContact CG-CE1 3.83Å; Y102-F301 AromaticContact CG-CE2 3.97Å; Y102-F301 HydrophobicContact CG-CE2 3.97Å; Y102-F301 AromaticContact CG-CG 3.65Å; Y102-F301 HydrophobicContact CG-CG 3.65Å; Y102-F301 AromaticContact CG-CZ 3.99Å; Y102-F301 HydrophobicContact CG-CZ 3.99Å; Y102-F301 AromaticContact CZ-CD2 3.94Å; Y102-F301 AromaticContact CZ-CG 3.98Å; L297-F301 PolarHBondContact O-N 3.37Å; L297-F301 VanDerWaalsContact O-N 3.09Å; Q298-F301 PolarHBondContact O-N 3.49Å; S299-F301 PolarHBondContact O-N 2.93Å; F301-R303 PolarHBondContact O-N 3.48Å; F301-S304 WeakPolarHBondContact O-CB 3.36Å; F301-S304 PolarHBondContact O-N 3Å; F301-S304 PolarHBondContact O-OG 3.1Å; F301-V305 HydrophobicContact CD1-CG2 4.28Å; F301-V305 HydrophobicContact CE1-CG2 3.86Å; F301-V305 HydrophobicContact CE2-CG2 4.43Å; F301-V305 HydrophobicContact CZ-CG2 3.95Å; F301-V305 PolarHBondContact O-N 2.64Å; F301-V305 VanDerWaalsContact O-N 3.1Å
302	F	94.6	Very high	86.1	Confident	14 Å²	14	58 Å²	58	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-35.2	-173.9	-73	-66.7	0	0	0	113.1	H103 S238 W255 Q298 S304 V305 S306	H103-F302 WeakPolarHBondContact O-CZ 3.22Å; S238-F302 WeakPolarHBondContact O-CB 3.33Å; S238-F302 WeakPolarHBondContact O-CD1 3.23Å; S238-F302 WeakPolarHBondContact O-CD2 3.33Å; S238-F302 WeakPolarHBondContact O-CG 3.34Å; W255-F302 AromaticContact NE1-CD2 3.96Å; Q298-F302 VanDerWaalsContact O-CD2 3.31Å; Q298-F302 WeakPolarHBondContact O-CD2 3.35Å; Q298-F302 PolarHBondContact O-N 2.65Å; Q298-F302 VanDerWaalsContact OE1-CE2 3.23Å; F302-S304 VanDerWaalsContact C-N 3.27Å; F302-S304 PolarHBondContact O-N 3.48Å; F302-V305 PolarHBondContact O-N 3.44Å; F302-S306 PolarHBondContact O-N 3.5Å; F302-S306 PolarHBondContact O-OG 3.25Å; F302-S306 VanDerWaalsContact O-OG 3.13Å
303	R	92.2	Very high	84	Confident	88 Å²	88	62.6 Å²	62.6	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-36.2	171.6	-74.1	-179.4	-177.4	173.6	14	112.9	W255 V258 S299 F301 A307	W255-R303 HydrophobicContact CB-CG 4.06Å; W255-R303 PolarHBondContact O-NE 2.83Å; W255-R303 VanDerWaalsContact O-NE 3.11Å; W255-R303 PolarHBondContact O-NH2 3.48Å; V258-R303 PolarHBondContact O-NH2 3.4Å; S299-R303 VanDerWaalsContact O-CB 3.28Å; S299-R303 WeakPolarHBondContact O-CB 3.45Å; S299-R303 WeakPolarHBondContact O-CG 3.45Å; S299-R303 PolarHBondContact O-N 2.76Å; S299-R303 PolarHBondContact OG-NE 2.95Å; S299-R303 PolarHBondContact OG-NH2 3.49Å; F301-R303 PolarHBondContact O-N 3.48Å; R303-A307 VanDerWaalsContact O-CB 3.29Å; R303-A307 WeakPolarHBondContact O-CB 3.28Å; R303-A307 PolarHBondContact O-N 3.09Å
304	S	89.9	Confident	81.6	Confident	64 Å²	64	64.2 Å²	64.2	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-68.6	-38.7	177.3	77	0	0	0	0	111.7	K300 F301 F302 A307 V308	K300-S304 WeakPolarHBondContact O-CB 3.29Å; K300-S304 PolarHBondContact O-N 3.18Å; F301-S304 WeakPolarHBondContact O-CB 3.36Å; F301-S304 PolarHBondContact O-N 3Å; F301-S304 PolarHBondContact O-OG 3.1Å; F302-S304 VanDerWaalsContact C-N 3.27Å; F302-S304 PolarHBondContact O-N 3.48Å; S304-A307 PolarHBondContact O-N 3.23Å; S304-V308 WeakPolarHBondContact O-CG2 3.46Å; S304-V308 PolarHBondContact O-N 3.22Å
305	V	86.2	Confident	78.7	Confident	49 Å²	49	73.1 Å²	73.1	30%	0.297	37%	0.374	S	S	.	.	H	α-helix	trans	-65.6	-51	176.5	177.1	0	0	0	0	110.7	F301 F302 A307 V308 E309	F301-V305 HydrophobicContact CD1-CG2 4.28Å; F301-V305 HydrophobicContact CE1-CG2 3.86Å; F301-V305 HydrophobicContact CE2-CG2 4.43Å; F301-V305 HydrophobicContact CZ-CG2 3.95Å; F301-V305 PolarHBondContact O-N 2.64Å; F301-V305 VanDerWaalsContact O-N 3.1Å; F302-V305 PolarHBondContact O-N 3.44Å; V305-A307 PolarHBondContact O-N 3.22Å; V305-V308 WeakPolarHBondContact O-CB 3.33Å; V305-V308 PolarHBondContact O-N 3.35Å; V305-E309 PolarHBondContact O-N 3.03Å
306	S	80.2	Confident	75.8	Confident	36 Å²	36	77.9 Å²	77.9	25%	0.252	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-24.2	179.2	-53.5	0	0	0	0	113.3	F302 R310	F302-S306 PolarHBondContact O-N 3.5Å; F302-S306 PolarHBondContact O-OG 3.25Å; F302-S306 VanDerWaalsContact O-OG 3.13Å; S306-R310 WeakPolarHBondContact O-CB 3.41Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 3.48Å; S306-R310 PolarHBondContact O-NE 3.03Å
307	A	78.2	Confident	72.7	Confident	39 Å²	39	83.5 Å²	83.5	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-73.8	-31.4	172.1	0	0	0	0	0	112.5	R303 S304 V305 K311	R303-A307 VanDerWaalsContact O-CB 3.29Å; R303-A307 WeakPolarHBondContact O-CB 3.28Å; R303-A307 PolarHBondContact O-N 3.09Å; S304-A307 PolarHBondContact O-N 3.23Å; V305-A307 PolarHBondContact O-N 3.22Å; A307-K311 WeakPolarHBondContact O-CG 3.45Å; A307-K311 PolarHBondContact O-N 3.13Å
308	V	75.7	Confident	70	Confident	82 Å²	82	86 Å²	86	50%	0.497	44%	0.444	S	S	.	.	H	α-helix	trans	-73.4	-44.6	174.6	173.4	0	0	0	0	110.5	S304 V305 R310 K311 N312	S304-V308 WeakPolarHBondContact O-CG2 3.46Å; S304-V308 PolarHBondContact O-N 3.22Å; V305-V308 WeakPolarHBondContact O-CB 3.33Å; V305-V308 PolarHBondContact O-N 3.35Å; V308-R310 PolarHBondContact O-N 3.17Å; V308-K311 PolarHBondContact O-N 2.94Å; V308-K311 VanDerWaalsContact O-N 3.16Å; V308-N312 PolarHBondContact O-N 3.37Å
309	E	69.6	Low	67.1	Low	87 Å²	87	91.4 Å²	91.4	41%	0.407	47%	0.473	S	S	.	.	H	α-helix	trans	-59.4	-46.9	176.6	-69.7	177.2	161.1	0	0	111.5	V305 K311 N312 D313	V305-E309 PolarHBondContact O-N 3.03Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.01Å; E309-N312 CarbonylContact O-C 3.54Å; E309-N312 WeakPolarHBondContact O-CB 3.22Å; E309-N312 PolarHBondContact O-N 2.98Å; E309-D313 PolarHBondContact O-N 3.23Å
310	R	62.1	Low	64	Low	156 Å²	156	98.6 Å²	98.6	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-60	-32.6	175.3	-78.2	-175.2	-75.8	170.6	-11	114.2	S306 V308 A314	S306-R310 WeakPolarHBondContact O-CB 3.41Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 3.48Å; S306-R310 PolarHBondContact O-NE 3.03Å; V308-R310 PolarHBondContact O-N 3.17Å; R310-A314 WeakPolarHBondContact O-CB 3.31Å; R310-A314 PolarHBondContact O-N 3.02Å
311	K	60.5	Low	60.8	Low	157 Å²	157	97 Å²	97	68%	0.683	52%	0.519	S	S	*	.	H	α-helix	trans	-71.7	-35.1	174.8	-76.9	177	179.6	-177.3	0	111.9	A307 V308 E309	A307-K311 WeakPolarHBondContact O-CG 3.45Å; A307-K311 PolarHBondContact O-N 3.13Å; V308-K311 PolarHBondContact O-N 2.94Å; V308-K311 VanDerWaalsContact O-N 3.16Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.01Å
312	N	56.6	Low	57.6	Low	86 Å²	86	100.6 Å²	100.6	46%	0.46	55%	0.547	S	S	.	.	H	α-helix	trans	-73	-41.2	176.4	-66.1	-17.3	0	0	0	111	V308 E309 F315 L316	V308-N312 PolarHBondContact O-N 3.37Å; E309-N312 CarbonylContact O-C 3.54Å; E309-N312 WeakPolarHBondContact O-CB 3.22Å; E309-N312 PolarHBondContact O-N 2.98Å; N312-F315 CarbonylContact O-C 3.58Å; N312-F315 WeakPolarHBondContact O-CA 3.47Å; N312-F315 WeakPolarHBondContact O-CB 3.44Å; N312-F315 PolarHBondContact O-N 3.24Å; N312-L316 WeakPolarHBondContact O-CB 2.99Å; N312-L316 PolarHBondContact O-N 3.16Å
313	D	51.7	Low	54.3	Low	103 Å²	103	105.7 Å²	105.7	55%	0.551	58%	0.583	S	S	*	*	H	α-helix	trans	-65.2	-38.8	176.6	-70.2	-18.4	0	0	0	111.8	E309 F315 L316 E317	E309-D313 PolarHBondContact O-N 3.23Å; D313-F315 PolarHBondContact O-N 3.08Å; D313-F315 VanDerWaalsContact O-N 3.08Å; D313-L316 PolarHBondContact O-N 3.35Å; D313-E317 PolarHBondContact O-N 2.82Å; D313-E317 VanDerWaalsContact O-N 3.11Å
314	A	46.5	Very low	51.4	Low	82 Å²	82	107.4 Å²	107.4	68%	0.678	61%	0.606	S	S	*	*	H	α-helix	trans	-61.4	-16.5	172	0	0	0	0	0	113.4	R310	R310-A314 WeakPolarHBondContact O-CB 3.31Å; R310-A314 PolarHBondContact O-N 3.02Å
315	F	37	Very low	48.6	Very low	187 Å²	187	116.2 Å²	116.2	82%	0.82	63%	0.629	S	S	*	*	H	α-helix	trans	-100.6	-20.5	174.9	-124.7	-90.9	0	0	0	113.2	N312 D313	N312-F315 CarbonylContact O-C 3.58Å; N312-F315 WeakPolarHBondContact O-CA 3.47Å; N312-F315 WeakPolarHBondContact O-CB 3.44Å; N312-F315 PolarHBondContact O-N 3.24Å; D313-F315 PolarHBondContact O-N 3.08Å; D313-F315 VanDerWaalsContact O-N 3.08Å
316	L	34.8	Very low	45.9	Very low	100 Å²	100	122 Å²	122	52%	0.524	66%	0.658	S	S	.	*	H	α-helix	trans	-108.1	1.1	-171.5	-85.7	162.8	0	0	0	114.8	N312 D313 S318 D319	N312-L316 WeakPolarHBondContact O-CB 2.99Å; N312-L316 PolarHBondContact O-N 3.16Å; D313-L316 PolarHBondContact O-N 3.35Å; L316-S318 PolarHBondContact O-N 3.01Å; L316-D319 PolarHBondContact O-N 3.06Å
317	E	32.4	Very low	43.4	Very low	189 Å²	189	132.1 Å²	132.1	88%	0.883	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	1.8	175.3	-147.4	178.1	-173.1	0	0	114.2	D313	D313-E317 PolarHBondContact O-N 2.82Å; D313-E317 VanDerWaalsContact O-N 3.11Å
318	S	40.6	Very low	41.1	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-33.2	174.8	179.4	0	0	0	0	114.7	L316	L316-S318 PolarHBondContact O-N 3.01Å
319	D	35.7	Very low	39	Very low	116 Å²	116	142 Å²	142	62%	0.62	73%	0.729	S	S	*	*	S	Bend	trans	-155.1	110.8	-166.6	-71.5	-68	0	0	0	111.4	L316	L316-D319 PolarHBondContact O-N 3.06Å
320	L	30.5	Very low	36.9	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	75%	0.746	S	S	*	*			trans	174.3	72.5	146.7	-91.2	156	0	0	0	111.2
321	S	27.6	Very low	35.5	Very low	126 Å²	126	144.2 Å²	144.2	88%	0.881	75%	0.754	S	S	*	*			trans	-102.4	67.7	163.8	54.2	0	0	0	0	110.9
322	S	26.8	Very low	33.8	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	76%	0.758	S	S	*	*			trans	-179.5	108.6	157.5	-174.8	0	0	0	0	111.3
323	C	26.6	Very low	32.3	Very low	121 Å²	121	148.8 Å²	148.8	82%	0.818	78%	0.775	S	S	*	*			trans	-147.5	134	154.3	-96.4	0	0	0	0	110.4
324	P	30.2	Very low	31.1	Very low	124 Å²	124	155.1 Å²	155.1	81%	0.805	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-90.7	149.5	-169.9	13	4.8	0	0	0	113.9
325	R	31.4	Very low	29.9	Very low	249 Å²	249	160.3 Å²	160.3	94%	0.94	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.3	134.6	-174.9	-67	179.5	170.6	176	-3	113.6
326	L	29.9	Very low	29.4	Very low	171 Å²	171	154.2 Å²	154.2	90%	0.895	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.4	141.1	176.4	-73.2	160.4	0	0	0	112.8
327	R	27.9	Very low	29.3	Very low	247 Å²	247	158 Å²	158	93%	0.932	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.7	133	-179.6	-67.7	-179.6	-168.3	145	3.1	111.4
328	K	28.9	Very low	29.2	Very low	198 Å²	198	154.9 Å²	154.9	86%	0.861	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.8	138	167	-74.4	-179.8	176.2	-179.4	0	110.3
329	V	32.2	Very low	28.7	Very low	130 Å²	130	157.1 Å²	157.1	79%	0.788	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.6	130.7	173.3	-177.1	0	0	0	0	109.7
330	P	25.6	Very low	28.5	Very low	116 Å²	116	158.3 Å²	158.3	75%	0.753	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73	128	177.9	-15.5	29.7	0	0	0	112.5
331	F	31.7	Very low	28.5	Very low	175 Å²	175	160.1 Å²	160.1	77%	0.768	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.1	118.1	169.6	179.6	-107.8	0	0	0	110.1	R333	F331-R333 HydrophobicContact CD1-CG 3.87Å; F331-R333 HydrophobicContact CE1-CB 4.34Å; F331-R333 HydrophobicContact CE1-CG 3.43Å; F331-R333 VanDerWaalsContact CE1-CG 3.43Å; F331-R333 PolarHBondContact O-N 3.11Å
332	V	26.6	Very low	28.8	Very low	126 Å²	126	165.2 Å²	165.2	76%	0.764	81%	0.811	S	S	*	*			trans	-84.6	102.4	171.2	179.7	0	0	0	0	108.4	R334	V332-R334 PolarHBondContact O-N 3.05Å
333	R	23.3	Very low	29.2	Very low	212 Å²	212	167.4 Å²	167.4	80%	0.8	82%	0.815	S	S	*	*			trans	-66.9	112.9	163	-88.8	-171.4	-169.6	-162.2	4	108.1	F331 E335	F331-R333 HydrophobicContact CD1-CG 3.87Å; F331-R333 HydrophobicContact CE1-CB 4.34Å; F331-R333 HydrophobicContact CE1-CG 3.43Å; F331-R333 VanDerWaalsContact CE1-CG 3.43Å; F331-R333 PolarHBondContact O-N 3.11Å; R333-E335 PolarHBondContact O-N 2.97Å
334	R	27.2	Very low	29.7	Very low	236 Å²	236	167.2 Å²	167.2	89%	0.891	81%	0.805	S	S	*	*			trans	-76.9	111.3	162.8	-174.2	176.5	-92	178.6	-6.8	107.7	V332	V332-R334 PolarHBondContact O-N 3.05Å
335	E	22.2	Very low	29.5	Very low	192 Å²	192	165.2 Å²	165.2	90%	0.897	81%	0.807	S	S	*	*			trans	-67.2	124.6	168	-69.4	-178.4	156.2	0	0	109.2	R333	R333-E335 PolarHBondContact O-N 2.97Å
336	G	25.8	Very low	29.5	Very low	59 Å²	59	159.3 Å²	159.3	61%	0.608	79%	0.794	S	S	*	*			trans	149.3	114.2	173.2	0	0	0	0	0	112.8
337	H	32.9	Very low	29.4	Very low	178 Å²	178	162.7 Å²	162.7	82%	0.824	79%	0.794	S	S	*	*	S	Bend	trans	94.2	85.6	169	-56.7	-78.1	0	0	0	117.9
338	T	29.2	Very low	29.5	Very low	124 Å²	124	157.1 Å²	157.1	76%	0.761	78%	0.782	S	S	*	*			trans	35.4	104.2	135.2	55.5	0	0	0	0	118.9	L340	T338-L340 PolarHBondContact O-N 2.85Å; T338-L340 VanDerWaalsContact O-N 3.17Å
339	D	30.1	Very low	29.4	Very low	143 Å²	143	153.3 Å²	153.3	77%	0.765	77%	0.771	S	S	*	*			trans	33.5	64.1	143.4	-81.2	-36.5	0	0	0	118.8	K341	D339-K341 PolarHBondContact O-N 3.12Å; D339-K341 VanDerWaalsContact O-N 3.12Å
340	L	32.3	Very low	29.5	Very low	141 Å²	141	151.1 Å²	151.1	74%	0.738	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	6	161.1	-79.6	162.8	0	0	0	113.8	T338 R342	T338-L340 PolarHBondContact O-N 2.85Å; T338-L340 VanDerWaalsContact O-N 3.17Å; L340-R342 PolarHBondContact O-N 3.29Å
341	K	31	Very low	29.7	Very low	194 Å²	194	149.4 Å²	149.4	84%	0.843	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-13.3	173.9	-98	-174.9	175.5	-178.6	0	113.7	D339	D339-K341 PolarHBondContact O-N 3.12Å; D339-K341 VanDerWaalsContact O-N 3.12Å
342	R	32.5	Very low	30	Very low	233 Å²	233	144.5 Å²	144.5	88%	0.879	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-21.5	-176.5	-114.9	-179.9	170	116.6	-2.1	115.3	L340	L340-R342 PolarHBondContact O-N 3.29Å
343	D	35.7	Very low	30.1	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-6.2	-175.5	-95.8	2.9	0	0	0	115.4
344	L	37	Very low	30.5	Very low	117 Å²	117	135.5 Å²	135.5	61%	0.613	70%	0.697	S	S	*	*			trans	-110	86.2	168.5	-68.6	167.7	0	0	0	108.6	L346	L344-L346 HydrophobicContact CD2-CD1 4.12Å; L344-L346 PolarHBondContact O-N 3.17Å
345	G	27.1	Very low	30.9	Very low	82 Å²	82	126.7 Å²	126.7	85%	0.845	67%	0.666	S	S	*	*			trans	-63.2	28.3	164.9	0	0	0	0	0	113.8	R347	G345-R347 PolarHBondContact O-N 3.36Å; G345-R347 VanDerWaalsContact O-N 3.15Å
346	L	31.2	Very low	31.2	Very low	126 Å²	126	123.9 Å²	123.9	66%	0.66	66%	0.656	S	S	*	*			trans	-83.4	86.1	173.2	-62.7	177.8	0	0	0	107.7	L344 I348	L344-L346 HydrophobicContact CD2-CD1 4.12Å; L344-L346 PolarHBondContact O-N 3.17Å; L346-I348 HydrophobicContact CB-CG1 4.34Å; L346-I348 PolarHBondContact O-N 3.31Å
347	R	27	Very low	31.5	Very low	242 Å²	242	128.4 Å²	128.4	91%	0.913	66%	0.661	S	S	*	*			trans	-63.1	93.1	152.5	-74.3	-170.3	176.2	-165.3	-0	106.7	G345 D349	G345-R347 PolarHBondContact O-N 3.36Å; G345-R347 VanDerWaalsContact O-N 3.15Å; R347-D349 PolarHBondContact O-N 3.25Å
348	I	30.5	Very low	31.5	Very low	130 Å²	130	124.8 Å²	124.8	67%	0.667	65%	0.646	S	S	*	*			trans	-73.7	84.4	164.4	-56.3	173.7	0	0	0	105	L346 S350	L346-I348 HydrophobicContact CB-CG1 4.34Å; L346-I348 PolarHBondContact O-N 3.31Å; I348-S350 PolarHBondContact O-N 2.88Å
349	D	26.6	Very low	31.5	Very low	117 Å²	117	123.4 Å²	123.4	63%	0.626	63%	0.634	S	S	*	*			trans	-74.7	102.8	160.8	-151.8	-27.2	0	0	0	105.6	R347 S351 S352	R347-D349 PolarHBondContact O-N 3.25Å; D349-S351 PolarHBondContact O-N 3.35Å; D349-S351 PolarHBondContact OD1-OG 2.77Å; D349-S352 PolarHBondContact O-N 2.8Å
350	S	33.1	Very low	31.4	Very low	85 Å²	85	124 Å²	124	59%	0.594	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-1.5	-176.2	-63.9	0	0	0	0	114	I348	I348-S350 PolarHBondContact O-N 2.88Å
351	S	31.4	Very low	31.2	Very low	80 Å²	80	119.6 Å²	119.6	56%	0.559	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-11.8	178.6	53	0	0	0	0	114.6	D349	D349-S351 PolarHBondContact O-N 3.35Å; D349-S351 PolarHBondContact OD1-OG 2.77Å
352	S	36.4	Very low	31	Very low	71 Å²	71	118.3 Å²	118.3	50%	0.497	63%	0.628	S	S	.	*	S	Bend	trans	-103.6	-14	-164.6	-165.8	0	0	0	0	116.9	D349 H355	D349-S352 PolarHBondContact O-N 2.8Å; S352-H355 VanDerWaalsContact O-CB 3.31Å; S352-H355 WeakPolarHBondContact O-CB 3.34Å; S352-H355 PolarHBondContact O-N 3.49Å
353	M	30.1	Very low	30.9	Very low	89 Å²	89	113 Å²	113	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-81.1	-28.3	-171	-131.5	-160.8	74.1	0	0	115.1	L133 H355	L133-M353 HydrophobicContact CD2-CE 3.8Å; M353-H355 PolarHBondContact O-N 2.79Å
354	Y	30.5	Very low	30.5	Very low	60 Å²	60	109.3 Å²	109.3	24%	0.235	62%	0.618	C	S	.	*	H	α-helix	trans	-64.6	-23.6	168.6	-81.8	-75.4	0	0	0	112.3	R131 L133 E215 G216	R131-Y354 PolarHBondContact O-OH 3.11Å; L133-Y354 HydrophobicContact CD1-CD2 3.62Å; L133-Y354 HydrophobicContact CD1-CE2 3.26Å; L133-Y354 HydrophobicContact CD2-CE2 4.31Å; L133-Y354 HydrophobicContact CG-CD2 4.25Å; L133-Y354 HydrophobicContact CG-CE2 3.53Å; E215-Y354 HydrophobicContact CG-CE2 4.21Å; E215-Y354 PolarHBondContact O-OH 3.18Å; G216-Y354 WeakPolarHBondContact CA-OH 3.43Å
355	H	35.4	Very low	30	Very low	51 Å²	51	112.7 Å²	112.7	24%	0.236	63%	0.63	C	S	.	*	H	α-helix	trans	-72.5	-36.8	-178	-113.6	-55.3	0	0	0	113.4	F233 L246 S352 M353 L359	F233-H355 AromaticContact CE2-CE1 3.64Å; F233-H355 AromaticContact CE2-NE2 3.97Å; L246-H355 WeakPolarHBondContact CD2-CE1 3.2Å; L246-H355 WeakPolarHBondContact CD2-NE2 3.33Å; S352-H355 VanDerWaalsContact O-CB 3.31Å; S352-H355 WeakPolarHBondContact O-CB 3.34Å; S352-H355 PolarHBondContact O-N 3.49Å; M353-H355 PolarHBondContact O-N 2.79Å; H355-L359 WeakPolarHBondContact O-CD1 3.12Å; H355-L359 WeakPolarHBondContact O-CG 3.39Å
356	L	28.3	Very low	29.9	Very low	134 Å²	134	116.6 Å²	116.6	70%	0.702	63%	0.632	S	S	*	*	H	α-helix	trans	-80.7	-28.9	-170.3	-147.9	71.2	0	0	0	113
357	H	33.5	Very low	29.8	Very low	154 Å²	154	116.5 Å²	116.5	71%	0.713	64%	0.642	S	S	*	*	H	α-helix	trans	-79.4	-24.6	-177.6	-156.7	-91.5	0	0	0	113.3
358	M	32.2	Very low	29.7	Very low	102 Å²	102	116 Å²	116	50%	0.502	64%	0.64	S	S	.	*	H	α-helix	trans	-94.9	-16	-179.7	-64	-63.5	-100	0	0	114	F233	F233-M358 HydrophobicContact CE1-CB 4.44Å
359	L	29	Very low	29.5	Very low	95 Å²	95	119.5 Å²	119.5	50%	0.497	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	3.6	178.7	-74.7	172	0	0	0	114.7	H355 G361	H355-L359 WeakPolarHBondContact O-CD1 3.12Å; H355-L359 WeakPolarHBondContact O-CG 3.39Å; L359-G361 PolarHBondContact O-N 3.09Å
360	N	29.1	Very low	29.3	Very low	154 Å²	154	117.9 Å²	117.9	82%	0.824	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	6.9	172	-85.1	-9.1	0	0	0	114
361	G	26.6	Very low	29.2	Very low	49 Å²	49	123.7 Å²	123.7	51%	0.505	67%	0.668	S	S	.	*	S	Bend	trans	-107.4	103.3	166.3	0	0	0	0	0	111.2	L359	L359-G361 PolarHBondContact O-N 3.09Å
362	N	28	Very low	28.7	Very low	167 Å²	167	125 Å²	125	89%	0.893	68%	0.677	S	S	*	*			trans	42.9	82.1	157	-65.3	-18.9	0	0	0	117.8
363	V	29.4	Very low	28	Very low	122 Å²	122	126.3 Å²	126.3	74%	0.739	69%	0.686	S	S	*	*			trans	-126.9	124.1	152.7	-177.8	0	0	0	0	109.8
364	G	29.1	Very low	27.9	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	71%	0.705	S	S	*	*			trans	-59.2	155	-170.4	0	0	0	0	0	114.9	N366	G364-N366 PolarHBondContact O-N 3.38Å; G364-N366 VanDerWaalsContact O-N 3.13Å
365	Q	26.1	Very low	27.4	Very low	188 Å²	188	132.9 Å²	132.9	88%	0.879	73%	0.732	S	S	*	*	S	Bend	trans	-44.4	110.7	169.7	-62.2	172.1	-16.1	0	0	111.1
366	N	24.1	Very low	27	Very low	163 Å²	163	138.6 Å²	138.6	87%	0.872	76%	0.763	S	S	*	*			trans	161.5	87	140.8	-83.5	-24.5	0	0	0	110.7	G364	G364-N366 PolarHBondContact O-N 3.38Å; G364-N366 VanDerWaalsContact O-N 3.13Å
367	S	30	Very low	26.6	Very low	125 Å²	125	137 Å²	137	87%	0.874	76%	0.764	S	S	*	*			trans	-160.8	116.2	137.6	-160.8	0	0	0	0	110.4
368	R	24.9	Very low	26.2	Very low	231 Å²	231	137.8 Å²	137.8	87%	0.872	77%	0.772	S	S	*	*			trans	-75.2	133	174.6	-64.6	170.1	175.2	163.5	-2.6	109
369	K	26.4	Very low	25.8	Very low	204 Å²	204	138.2 Å²	138.2	89%	0.887	78%	0.782	S	S	*	*				168.1	132.9	116.7	-91.2	171.3	-177.7	-179.3	0	113.2
370	A	22.3	Very low	25.5	Very low	82 Å²	82	145 Å²	145	68%	0.678	80%	0.803	S	S	*	*			trans	67.9	98.8	148.9	0	0	0	0	0	118.4
371	F	29.8	Very low	25.2	Very low	208 Å²	208	142.6 Å²	142.6	91%	0.912	80%	0.798	S	S	*	*				-153	136.7	89.5	-87.7	-80.3	0	0	0	110
372	S	22.2	Very low	24.8	Very low	106 Å²	106	149 Å²	149	74%	0.741	82%	0.815	S	S	*	*			trans	-50.2	161.8	170.4	53.9	0	0	0	0	113.3
373	S	21.3	Very low	24.7	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	81%	0.812	S	S	*	*			cis	173.6	129.7	-3.5	44.7	0	0	0	0	104.9
374	V	27.2	Very low	24.2	Very low	139 Å²	139	148.3 Å²	148.3	84%	0.842	82%	0.815	S	S	*	*			trans	-171.3	104.9	140	-91.8	0	0	0	0	109
375	N	20.8	Very low	24	Very low	147 Å²	147	153.4 Å²	153.4	79%	0.786	83%	0.825	S	S	*	*			trans	24.9	120.9	144.8	-57.2	-41.4	0	0	0	119.8
376	L	26.7	Very low	23.7	Very low	172 Å²	172	151.5 Å²	151.5	90%	0.901	82%	0.821	S	S	*	*				-164.9	130.7	94	-119.3	89.1	0	0	0	110
377	S	20.7	Very low	23.5	Very low	101 Å²	101	148.1 Å²	148.1	71%	0.706	81%	0.81	S	S	*	*			trans	-68.2	145.2	177.1	44.1	0	0	0	0	114.5
378	L	23.7	Very low	23.2	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	81%	0.807	S	S	*	*				-179.5	147.5	112.7	-91.8	152.8	0	0	0	110.8
379	P	23.6	Very low	23.5	Very low	111 Å²	111	143.1 Å²	143.1	72%	0.721	80%	0.795	S	S	*	*			trans	-96.8	150.9	-164.1	37.3	-31.9	0	0	0	112.9
380	Y	23.4	Very low	23.3	Very low	237 Å²	237	142.1 Å²	142.1	93%	0.929	79%	0.791	S	S	*	*			trans	-141.2	131.3	152.9	-152.8	-96.3	0	0	0	110.7
381	S	22	Very low	23.3	Very low	105 Å²	105	146 Å²	146	73%	0.734	80%	0.801	S	S	*	*			trans	-76.3	160.2	-167.1	-64.5	0	0	0	0	114.7
382	E	19.1	Very low	22.9	Very low	184 Å²	184	140 Å²	140	86%	0.86	80%	0.797	S	S	*	*			trans	-40.2	142.6	169.5	-65.1	168.3	139.5	0	0	115.9
383	A	24.9	Very low	22.9	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	80%	0.801	S	S	*	*			trans	-139.2	105.1	144.7	0	0	0	0	0	108.4
384	Q	19.3	Very low	22.8	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	81%	0.809	S	S	*	*			trans	-58.6	135.3	158.8	-78.6	169.5	-60.2	0	0	109.1
385	L	24.7	Very low	22.8	Very low	176 Å²	176	142.6 Å²	142.6	92%	0.921	81%	0.811	S	S	*	*			trans	-137.3	130.9	151.5	-129	107.2	0	0	0	110.3
386	D	21.3	Very low	22.9	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	81%	0.807	S	S	*	*			trans	-70.9	163.8	-170.5	-90.1	-50.1	0	0	0	115.4
387	S	19.7	Very low	22.6	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	80%	0.8	S	S	*	*			trans	-62.1	170.9	177	61.9	0	0	0	0	118.6
388	L	23.4	Very low	22.8	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	81%	0.807	S	S	*	*			trans	87.5	157.7	162.9	-90.2	85.9	0	0	0	118.6
389	P	30.9	Very low	22.6	Very low	96 Å²	96	136 Å²	136	62%	0.623	80%	0.802	S	S	*	*			cis	-141.1	171.4	-40.7	38.5	-21	0	0	0	115.2
390	K	21.6	Very low	22.6	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.796	81%	0.812	S	S	*	*			trans	43.2	123.2	137.5	-68	174.8	178.8	179.3	0	121.9
391	N	22.3	Very low	22.5	Very low	165 Å²	165	129 Å²	129	88%	0.882	80%	0.798	S	S	*	*				153.1	128.2	125.5	-81.1	-19.3	0	0	0	106.7
392	G	21.1	Very low	22.6	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	80%	0.804	S	S	*	*			cis	118	123.8	47.1	0	0	0	0	0	106.2
393	G	23.4	Very low	22.9	Very low	80 Å²	80	130 Å²	130	83%	0.825	80%	0.801	S	S	*	*			trans	161.3	69.2	179.6	0	0	0	0	0	114.8
394	M	19.6	Very low	22.8	Very low	176 Å²	176	130 Å²	130	87%	0.867	80%	0.801	S	S	*	*			trans	-85.1	124.6	169.4	-163.7	165	70	0	0	108.1
395	V	27.2	Very low	23.3	Very low	144 Å²	144	127.6 Å²	127.6	87%	0.873	80%	0.802	S	S	*	*			trans	-123.9	108.8	168	-179.8	0	0	0	0	108
396	T	21.8	Very low	23.3	Very low	116 Å²	116	126.9 Å²	126.9	71%	0.712	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.3	143.2	176.8	36.4	0	0	0	0	112.1
397	A	21	Very low	23.6	Very low	91 Å²	91	124 Å²	124	75%	0.752	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67	150.3	174.2	0	0	0	0	0	113.1
398	P	24.7	Very low	24.1	Very low	130 Å²	130	126.5 Å²	126.5	84%	0.844	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85.7	133.2	167.5	31.9	-26.9	0	0	0	111.1
399	S	20.6	Very low	24	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-88.6	137.8	163.4	53.9	0	0	0	0	110.1
400	C	22	Very low	23.8	Very low	139 Å²	139	131.4 Å²	131.4	94%	0.939	81%	0.81	S	S	*	*			trans	166.4	137.5	157	-94.1	0	0	0	0	105.7
401	G	22.7	Very low	24	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	81%	0.81	S	S	*	*			cis	176.7	144.3	5.1	0	0	0	0	0	107.5
402	Q	23.6	Very low	24.2	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	81%	0.81	S	S	*	*			trans	47.8	126.4	134.9	-58.4	-174.3	22.7	0	0	121.4
403	T	25.3	Very low	24.4	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	80%	0.804	S	S	*	*				153.3	110	118.2	39.4	0	0	0	0	108.7
404	A	23.7	Very low	24.6	Very low	99 Å²	99	132.1 Å²	132.1	82%	0.818	80%	0.8	S	S	*	*				82.1	99.6	83.3	0	0	0	0	0	114
405	C	28	Very low	24.9	Very low	123 Å²	123	130.2 Å²	130.2	83%	0.831	80%	0.799	S	S	*	*			trans	-167	92.7	146.8	55.4	0	0	0	0	107.3
406	N	25.3	Very low	24.7	Very low	160 Å²	160	130.8 Å²	130.8	86%	0.856	80%	0.795	S	S	*	*				64.3	117.8	79.3	-123.9	15.5	0	0	0	116
407	S	28.2	Very low	24.9	Very low	89 Å²	89	132.8 Å²	132.8	62%	0.622	80%	0.801	S	S	*	*			trans	57.4	109.3	144.9	61	0	0	0	0	119.7
408	N	29.7	Very low	25.1	Very low	144 Å²	144	133 Å²	133	77%	0.77	80%	0.803	S	S	*	*				171.6	96.7	84.1	-109.8	-0.9	0	0	0	109.9
409	C	21.8	Very low	25.3	Very low	130 Å²	130	135 Å²	135	88%	0.878	80%	0.801	S	S	*	*			trans	-84.2	107.5	165	-53.8	0	0	0	0	107.5
410	R	25.9	Very low	25.7	Very low	223 Å²	223	136.8 Å²	136.8	84%	0.842	81%	0.807	S	S	*	*			trans	-128.2	104.5	163.6	-88.8	-172	173.1	174.3	-1.4	110.2
411	N	25.8	Very low	26.2	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	80%	0.796	S	S	*	*			trans	-5.2	117.7	149.4	-55.6	-12.4	0	0	0	115.9
412	V	26.8	Very low	26.7	Very low	143 Å²	143	140 Å²	140	87%	0.867	80%	0.795	S	S	*	*			trans	-131.1	110.8	146.3	-178.8	0	0	0	0	107.4
413	T	24.9	Very low	27.6	Very low	117 Å²	117	136 Å²	136	72%	0.718	79%	0.787	S	S	*	*			trans	-71	150.1	175.9	-39.2	0	0	0	0	109.6
414	P	28.1	Very low	28	Very low	115 Å²	115	132.7 Å²	132.7	75%	0.747	77%	0.774	S	S	*	*			trans	-87	136.6	-155.5	33.6	-30.5	0	0	0	111.7
415	T	25.7	Very low	28.9	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	76%	0.764	S	S	*	*			trans	-104.6	121.2	162	-43.1	0	0	0	0	107.8	D417	T415-D417 PolarHBondContact O-N 3.48Å
416	I	24.2	Very low	29.8	Very low	155 Å²	155	131 Å²	131	80%	0.795	75%	0.752	S	S	*	*			trans	-63.8	113	173.1	-64.2	162.1	0	0	0	106.7
417	D	24.4	Very low	30.5	Very low	158 Å²	158	127.7 Å²	127.7	85%	0.845	74%	0.737	S	S	*	*			trans	-151.1	129.2	146.7	-99.3	-33	0	0	0	110.6	T415 Q419	T415-D417 PolarHBondContact O-N 3.48Å; D417-Q419 PolarHBondContact O-N 2.88Å
418	A	26.7	Very low	31.5	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	73%	0.732	S	S	*	*			trans	-72.1	110.8	-173.7	0	0	0	0	0	110.9
419	Q	28.7	Very low	32.2	Very low	172 Å²	172	122.4 Å²	122.4	80%	0.804	71%	0.714	S	S	*	*			trans	-136.5	101.2	154.2	-76.4	-170	-44.1	0	0	109.4	D417 H421	D417-Q419 PolarHBondContact O-N 2.88Å; Q419-H421 VanDerWaalsContact C-N 3.35Å; Q419-H421 PolarHBondContact O-N 2.85Å
420	V	27.8	Very low	33.2	Very low	150 Å²	150	123.5 Å²	123.5	91%	0.909	71%	0.708	S	S	*	*			trans	-61.5	95.9	165.4	176.4	0	0	0	0	106.9
421	H	32.2	Very low	34	Very low	150 Å²	150	118.5 Å²	118.5	69%	0.694	70%	0.697	S	S	*	*			trans	-92.2	115.9	170.5	-111.6	-67.7	0	0	0	109.5	Q419	Q419-H421 VanDerWaalsContact C-N 3.35Å; Q419-H421 PolarHBondContact O-N 2.85Å
422	D	34.2	Very low	35.2	Very low	117 Å²	117	116.1 Å²	116.1	63%	0.626	69%	0.692	S	S	*	*			trans	-52.1	123.1	-172.6	-139.8	-29.7	0	0	0	113.9	A424 L425	D422-A424 PolarHBondContact O-N 3.29Å; D422-L425 PolarHBondContact O-N 2.94Å
423	S	41.8	Very low	36.2	Very low	98 Å²	98	120 Å²	120	69%	0.685	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	177.6	-54.9	0	0	0	0	113.5	L425 A426	S423-L425 VanDerWaalsContact C-N 3.33Å; S423-L425 PolarHBondContact O-N 3.44Å; S423-A426 PolarHBondContact O-N 3.45Å
424	A	34.7	Very low	37.2	Very low	62 Å²	62	118.5 Å²	118.5	51%	0.512	68%	0.682	S	S	.	*	H	α-helix	trans	-62.1	-35.9	177.7	0	0	0	0	0	113.1	D422 A426 V427 T428	D422-A424 PolarHBondContact O-N 3.29Å; A424-A426 PolarHBondContact O-N 2.78Å; A424-V427 PolarHBondContact O-N 3.4Å; A424-T428 PolarHBondContact O-N 2.87Å; A424-T428 PolarHBondContact O-OG1 2.51Å; A424-T428 VanDerWaalsContact O-OG1 3.07Å
425	L	42.5	Very low	38	Very low	116 Å²	116	122.7 Å²	122.7	61%	0.607	69%	0.688	S	S	*	*	H	α-helix	trans	-69.8	-32.9	-179.1	-86.6	160.1	0	0	0	112.6	D422 S423 V427 T428 G429	D422-L425 PolarHBondContact O-N 2.94Å; S423-L425 VanDerWaalsContact C-N 3.33Å; S423-L425 PolarHBondContact O-N 3.44Å; L425-V427 VanDerWaalsContact C-N 3.33Å; L425-V427 PolarHBondContact O-N 3Å; L425-T428 VanDerWaalsContact CA-OG1 3.29Å; L425-T428 WeakPolarHBondContact CA-OG1 3.48Å; L425-T428 PolarHBondContact O-N 3.26Å; L425-T428 PolarHBondContact O-OG1 3.44Å; L425-G429 PolarHBondContact O-N 2.9Å
426	A	45.8	Very low	38.8	Very low	70 Å²	70	123.1 Å²	123.1	58%	0.579	69%	0.685	S	S	*	*	H	α-helix	trans	-65.5	-35.9	177.9	0	0	0	0	0	112.1	S423 A424 G429 M430	S423-A426 PolarHBondContact O-N 3.45Å; A424-A426 PolarHBondContact O-N 2.78Å; A426-G429 PolarHBondContact O-N 3.23Å; A426-M430 PolarHBondContact O-N 2.79Å
427	V	41.2	Very low	39.4	Very low	91 Å²	91	121.4 Å²	121.4	55%	0.552	68%	0.684	S	S	*	*	H	α-helix	trans	-72.2	-40.5	177.7	-177.9	0	0	0	0	111.2	A424 L425 G429 M430 L431	A424-V427 PolarHBondContact O-N 3.4Å; L425-V427 VanDerWaalsContact C-N 3.33Å; L425-V427 PolarHBondContact O-N 3Å; V427-G429 VanDerWaalsContact C-N 3.32Å; V427-G429 PolarHBondContact O-N 2.81Å; V427-M430 PolarHBondContact O-N 3.1Å; V427-L431 HydrophobicContact CG1-CD1 4.3Å; V427-L431 PolarHBondContact O-N 3.08Å
428	T	48.3	Very low	40.6	Very low	85 Å²	85	118.4 Å²	118.4	52%	0.521	68%	0.681	S	S	.	*	H	α-helix	trans	-63.9	-34.8	172.1	26.9	0	0	0	0	113	A424 L425 L431 S432	A424-T428 PolarHBondContact O-N 2.87Å; A424-T428 PolarHBondContact O-OG1 2.51Å; A424-T428 VanDerWaalsContact O-OG1 3.07Å; L425-T428 VanDerWaalsContact CA-OG1 3.29Å; L425-T428 WeakPolarHBondContact CA-OG1 3.48Å; L425-T428 PolarHBondContact O-N 3.26Å; L425-T428 PolarHBondContact O-OG1 3.44Å; T428-L431 PolarHBondContact O-N 2.89Å; T428-S432 PolarHBondContact O-N 3.21Å; T428-S432 VanDerWaalsContact O-N 3.12Å
429	G	45.3	Very low	41.4	Very low	37 Å²	37	124 Å²	124	38%	0.381	68%	0.683	S	S	.	*	H	α-helix	trans	-62.1	-43.1	175.8	0	0	0	0	0	112.7	L425 A426 V427 S432	L425-G429 PolarHBondContact O-N 2.9Å; A426-G429 PolarHBondContact O-N 3.23Å; V427-G429 VanDerWaalsContact C-N 3.32Å; V427-G429 PolarHBondContact O-N 2.81Å; G429-S432 PolarHBondContact O-OG 3.21Å
430	M	42.9	Very low	42.7	Very low	153 Å²	153	125.3 Å²	125.3	75%	0.754	68%	0.681	S	S	*	*	H	α-helix	trans	-65.4	-41.8	177	-74.6	-94.3	179	0	0	112.3	A426 V427 S432 R433	A426-M430 PolarHBondContact O-N 2.79Å; V427-M430 PolarHBondContact O-N 3.1Å; M430-S432 PolarHBondContact O-N 3.48Å; M430-R433 PolarHBondContact O-N 2.93Å
431	L	43.1	Very low	43.9	Very low	117 Å²	117	123.4 Å²	123.4	61%	0.613	67%	0.674	S	S	*	*	H	α-helix	trans	-70.8	-29.7	-178.9	-71	170.4	0	0	0	113.4	V427 T428 R433 V434	V427-L431 HydrophobicContact CG1-CD1 4.3Å; V427-L431 PolarHBondContact O-N 3.08Å; T428-L431 PolarHBondContact O-N 2.89Å; L431-R433 PolarHBondContact O-N 3.49Å; L431-V434 PolarHBondContact O-N 3.41Å
432	S	50.8	Low	45.4	Very low	100 Å²	100	120.2 Å²	120.2	70%	0.699	67%	0.673	S	S	*	*	H	α-helix	trans	-66.8	-19	178.2	71.3	0	0	0	0	114.5	T428 G429 M430	T428-S432 PolarHBondContact O-N 3.21Å; T428-S432 VanDerWaalsContact O-N 3.12Å; G429-S432 PolarHBondContact O-OG 3.21Å; M430-S432 PolarHBondContact O-N 3.48Å
433	R	47.2	Very low	46.9	Very low	225 Å²	225	118.7 Å²	118.7	85%	0.849	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-12.1	176.6	-80.4	-175.7	169.2	175.8	-1.8	113.9	M430 L431 K435	M430-R433 PolarHBondContact O-N 2.93Å; L431-R433 PolarHBondContact O-N 3.49Å; R433-K435 PolarHBondContact O-N 3.04Å; R433-K435 VanDerWaalsContact O-N 3.15Å
434	V	45.5	Very low	48.5	Very low	86 Å²	86	118.8 Å²	118.8	52%	0.521	66%	0.663	S	S	.	*	S	Bend	trans	-79.6	100.1	175.9	-176.2	0	0	0	0	107.4	L431 L436	L431-V434 PolarHBondContact O-N 3.41Å; V434-L436 HydrophobicContact CG1-CD2 4.26Å; V434-L436 PolarHBondContact O-N 3.22Å
435	K	44.3	Very low	50.7	Low	203 Å²	203	124.6 Å²	124.6	88%	0.883	67%	0.673	S	S	*	*			trans	-61.9	91.2	166.4	-89.9	-177.8	176.3	176.9	0	108	R433	R433-K435 PolarHBondContact O-N 3.04Å; R433-K435 VanDerWaalsContact O-N 3.15Å
436	L	42.5	Very low	52.5	Low	144 Å²	144	126.6 Å²	126.6	75%	0.754	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-58.4	128.7	169.4	-68.5	172.3	0	0	0	107.7	V434	V434-L436 HydrophobicContact CG1-CD2 4.26Å; V434-L436 PolarHBondContact O-N 3.22Å
437	P	36.9	Very low	54.2	Low	119 Å²	119	126.1 Å²	126.1	77%	0.773	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-55.2	145	172.8	-22.3	31.8	0	0	0	110.2	Y439	P437-Y439 PolarHBondContact O-N 3.21Å
438	A	50.3	Low	55.9	Low	96 Å²	96	124.2 Å²	124.2	79%	0.793	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-54.3	132.6	174.9	0	0	0	0	0	110.2	R440	A438-R440 PolarHBondContact O-N 3.07Å
439	Y	44	Very low	57.3	Low	214 Å²	214	125.8 Å²	125.8	84%	0.839	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.5	121.8	178.7	-171.6	-95.3	0	0	0	109.9	P437 S441	P437-Y439 PolarHBondContact O-N 3.21Å; Y439-S441 PolarHBondContact O-N 2.8Å
440	R	54.6	Low	58.9	Low	199 Å²	199	128.1 Å²	128.1	75%	0.751	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-70	130.3	172.9	-93.1	-167.1	178.6	-162	2.7	108.7	A438 A442	A438-R440 PolarHBondContact O-N 3.07Å; R440-A442 PolarHBondContact O-N 3.15Å
441	S	52.8	Low	60.5	Low	109 Å²	109	126.9 Å²	126.9	76%	0.762	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.5	132.1	164.6	-43.8	0	0	0	0	108.7	Y439	Y439-S441 PolarHBondContact O-N 2.8Å
442	A	64.8	Low	62.2	Low	83 Å²	83	124.3 Å²	124.3	69%	0.686	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52	137.2	171.5	0	0	0	0	0	108.9	R440	R440-A442 PolarHBondContact O-N 3.15Å
443	P	64.8	Low	63.6	Low	85 Å²	85	122.5 Å²	122.5	55%	0.552	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.9	148.6	174.7	22.5	-29.9	0	0	0	109.7	T447	P443-T447 HydrophobicContact CB-CG2 4Å
444	D	75.2	Confident	64.8	Low	101 Å²	101	117.9 Å²	117.9	54%	0.54	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-64.2	160.4	173	56.1	18.5	0	0	0	111	E446 T447 A448	D444-E446 PolarHBondContact O-N 3.25Å; D444-T447 PolarHBondContact O-N 3.35Å; D444-T447 VanDerWaalsContact O-N 3.11Å; D444-T447 WeakPolarHBondContact OD1-CB 3.29Å; D444-T447 PolarHBondContact OD1-N 2.96Å; D444-T447 VanDerWaalsContact OD1-N 3.16Å; D444-T447 PolarHBondContact OD1-OG1 3.1Å; D444-A448 PolarHBondContact O-N 2.95Å
445	Y	82	Confident	66.2	Low	183 Å²	183	119.6 Å²	119.6	72%	0.718	65%	0.646	S	S	*	*	H	α-helix	trans	-55.1	-39	-172.2	176.5	-99.4	0	0	0	113	A448 L449	Y445-A448 PolarHBondContact O-N 2.92Å; Y445-L449 HydrophobicContact CD1-CD1 4.05Å; Y445-L449 HydrophobicContact CE1-CD1 3.35Å; Y445-L449 HydrophobicContact CE1-CG 4.26Å; Y445-L449 HydrophobicContact CE2-CD1 4.27Å; Y445-L449 HydrophobicContact CE2-CG 4.49Å; Y445-L449 VanDerWaalsContact CZ-CD1 3.48Å; Y445-L449 PolarHBondContact O-N 2.95Å; Y445-L449 VanDerWaalsContact O-N 3.08Å
446	E	80.6	Confident	67.9	Low	158 Å²	158	115.5 Å²	115.5	74%	0.738	63%	0.63	S	S	*	*	H	α-helix	trans	-68.7	-42	-180	-163.8	171	-176.6	0	0	111.4	D444 A448 L449 S450	D444-E446 PolarHBondContact O-N 3.25Å; E446-A448 VanDerWaalsContact C-N 3.32Å; E446-A448 PolarHBondContact O-N 3.21Å; E446-L449 PolarHBondContact O-N 2.84Å; E446-S450 PolarHBondContact O-N 2.83Å; E446-S450 PolarHBondContact O-OG 3.25Å
447	T	80.9	Confident	69.9	Low	61 Å²	61	115.2 Å²	115.2	37%	0.374	62%	0.62	S	S	.	*	H	α-helix	trans	-64.1	-38.5	174.4	-57.4	0	0	0	0	111.4	P443 D444 S450 Q451	P443-T447 HydrophobicContact CB-CG2 4Å; D444-T447 PolarHBondContact O-N 3.35Å; D444-T447 VanDerWaalsContact O-N 3.11Å; D444-T447 WeakPolarHBondContact OD1-CB 3.29Å; D444-T447 PolarHBondContact OD1-N 2.96Å; D444-T447 VanDerWaalsContact OD1-N 3.16Å; D444-T447 PolarHBondContact OD1-OG1 3.1Å; T447-S450 WeakPolarHBondContact CA-OG 3.41Å; T447-S450 PolarHBondContact O-N 3.04Å; T447-S450 PolarHBondContact O-OG 2.87Å; T447-Q451 PolarHBondContact O-N 2.84Å
448	A	78	Confident	71.8	Confident	51 Å²	51	113.1 Å²	113.1	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-39.7	177.9	0	0	0	0	0	112.9	D444 Y445 E446 S450 Q451	D444-A448 PolarHBondContact O-N 2.95Å; Y445-A448 PolarHBondContact O-N 2.92Å; E446-A448 VanDerWaalsContact C-N 3.32Å; E446-A448 PolarHBondContact O-N 3.21Å; A448-S450 VanDerWaalsContact C-N 3.34Å; A448-Q451 WeakPolarHBondContact O-CB 2.98Å; A448-Q451 WeakPolarHBondContact O-CG 3.18Å; A448-Q451 PolarHBondContact O-N 2.76Å
449	L	77	Confident	73.4	Confident	118 Å²	118	113.1 Å²	113.1	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-72.1	-27.2	175.4	-75.8	179.4	0	0	0	113.4	Y445 E446 Q451	Y445-L449 HydrophobicContact CD1-CD1 4.05Å; Y445-L449 HydrophobicContact CE1-CD1 3.35Å; Y445-L449 HydrophobicContact CE1-CG 4.26Å; Y445-L449 HydrophobicContact CE2-CD1 4.27Å; Y445-L449 HydrophobicContact CE2-CG 4.49Å; Y445-L449 VanDerWaalsContact CZ-CD1 3.48Å; Y445-L449 PolarHBondContact O-N 2.95Å; Y445-L449 VanDerWaalsContact O-N 3.08Å; E446-L449 PolarHBondContact O-N 2.84Å; L449-Q451 VanDerWaalsContact C-N 3.27Å
450	S	79.4	Confident	75.3	Confident	85 Å²	85	105.5 Å²	105.5	59%	0.594	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-5.2	175.3	73.5	0	0	0	0	114.1	E446 T447 A448	E446-S450 PolarHBondContact O-N 2.83Å; E446-S450 PolarHBondContact O-OG 3.25Å; T447-S450 WeakPolarHBondContact CA-OG 3.41Å; T447-S450 PolarHBondContact O-N 3.04Å; T447-S450 PolarHBondContact O-OG 2.87Å; A448-S450 VanDerWaalsContact C-N 3.34Å
451	Q	75.8	Confident	76.7	Confident	127 Å²	127	99.3 Å²	99.3	59%	0.593	55%	0.553	S	S	*	*	S	Bend	trans	-61.7	133	175.5	-70.9	-84.1	-68.5	0	0	109.2	T447 A448 L449	T447-Q451 PolarHBondContact O-N 2.84Å; A448-Q451 WeakPolarHBondContact O-CB 2.98Å; A448-Q451 WeakPolarHBondContact O-CG 3.18Å; A448-Q451 PolarHBondContact O-N 2.76Å; L449-Q451 VanDerWaalsContact C-N 3.27Å
452	P	78.4	Confident	78	Confident	64 Å²	64	101.8 Å²	101.8	42%	0.416	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-58.9	150.3	173.5	24.1	-31.3	0	0	0	110.1	E456	P452-E456 WeakPolarHBondContact CA-OE2 3.23Å; P452-E456 HydrophobicContact CB-CB 3.63Å; P452-E456 WeakPolarHBondContact CB-OE2 3.22Å
453	S	80.3	Confident	79	Confident	61 Å²	61	105.8 Å²	105.8	43%	0.427	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58	157.8	170.9	69.3	0	0	0	0	110.2	D455 E456 Y457	S453-D455 PolarHBondContact O-N 2.86Å; S453-D455 VanDerWaalsContact O-N 3.11Å; S453-E456 PolarHBondContact N-OE2 3.11Å; S453-E456 PolarHBondContact O-N 3.39Å; S453-E456 PolarHBondContact OG-N 2.87Å; S453-Y457 PolarHBondContact O-N 2.86Å
454	L	73.5	Confident	80	Confident	128 Å²	128	108.3 Å²	108.3	67%	0.67	55%	0.548	S	S	*	.	H	α-helix	trans	-54.4	-35	178.7	-173.4	63.5	0	0	0	111.5	N458	L454-N458 WeakPolarHBondContact O-CB 3.34Å; L454-N458 PolarHBondContact O-N 2.77Å; L454-N458 PolarHBondContact O-ND2 2.91Å; L454-N458 VanDerWaalsContact O-ND2 3.08Å
455	D	74.7	Confident	80.3	Confident	123 Å²	123	107.7 Å²	107.7	66%	0.658	54%	0.544	S	S	*	.	H	α-helix	trans	-69.7	-42.2	176.9	-64.8	-32.2	0	0	0	112.6	S453 N458 L459	S453-D455 PolarHBondContact O-N 2.86Å; S453-D455 VanDerWaalsContact O-N 3.11Å; D455-N458 PolarHBondContact O-N 2.59Å; D455-L459 VanDerWaalsContact O-CB 3.3Å; D455-L459 WeakPolarHBondContact O-CB 3.2Å; D455-L459 PolarHBondContact O-N 2.64Å
456	E	80.3	Confident	80.1	Confident	116 Å²	116	104.5 Å²	104.5	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-41.3	174	-79.6	177.2	163	0	0	111.9	P452 S453 L459 A460	P452-E456 WeakPolarHBondContact CA-OE2 3.23Å; P452-E456 HydrophobicContact CB-CB 3.63Å; P452-E456 WeakPolarHBondContact CB-OE2 3.22Å; S453-E456 PolarHBondContact N-OE2 3.11Å; S453-E456 PolarHBondContact O-N 3.39Å; S453-E456 PolarHBondContact OG-N 2.87Å; E456-L459 PolarHBondContact O-N 3.38Å; E456-A460 WeakPolarHBondContact O-CB 3.4Å; E456-A460 PolarHBondContact O-N 3.16Å
457	Y	83.6	Confident	80.2	Confident	139 Å²	139	98.5 Å²	98.5	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-61.3	-49	174.4	179	-96	0	0	0	111.1	S453 L459 A460 V461	S453-Y457 PolarHBondContact O-N 2.86Å; Y457-L459 VanDerWaalsContact C-N 3.32Å; Y457-L459 PolarHBondContact O-N 3.01Å; Y457-A460 PolarHBondContact O-N 3.13Å; Y457-V461 HydrophobicContact CD1-CG2 4.21Å; Y457-V461 HydrophobicContact CE1-CG2 3.79Å; Y457-V461 HydrophobicContact CE2-CG2 4.32Å; Y457-V461 WeakPolarHBondContact O-CG2 3.47Å; Y457-V461 PolarHBondContact O-N 2.86Å
458	N	76.1	Confident	80.4	Confident	75 Å²	75	100 Å²	100	40%	0.401	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-39.7	178.7	-72.7	-26.7	0	0	0	112.1	L454 D455 W462	L454-N458 WeakPolarHBondContact O-CB 3.34Å; L454-N458 PolarHBondContact O-N 2.77Å; L454-N458 PolarHBondContact O-ND2 2.91Å; L454-N458 VanDerWaalsContact O-ND2 3.08Å; D455-N458 PolarHBondContact O-N 2.59Å; N458-W462 WeakPolarHBondContact O-CB 3.26Å; N458-W462 PolarHBondContact O-N 2.9Å
459	L	84	Confident	80.2	Confident	95 Å²	95	102.8 Å²	102.8	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-68.4	-38.6	176.9	-167.3	71	0	0	0	111.9	D455 E456 Y457 W462 R463	D455-L459 VanDerWaalsContact O-CB 3.3Å; D455-L459 WeakPolarHBondContact O-CB 3.2Å; D455-L459 PolarHBondContact O-N 2.64Å; E456-L459 PolarHBondContact O-N 3.38Å; Y457-L459 VanDerWaalsContact C-N 3.32Å; Y457-L459 PolarHBondContact O-N 3.01Å; L459-W462 PolarHBondContact O-N 2.85Å; L459-R463 WeakPolarHBondContact O-CG 3.33Å; L459-R463 PolarHBondContact O-N 3.2Å
460	A	85.3	Confident	80.1	Confident	54 Å²	54	103.2 Å²	103.2	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-46.8	175.1	0	0	0	0	0	111.4	E456 Y457 W462 R463 E464	E456-A460 WeakPolarHBondContact O-CB 3.4Å; E456-A460 PolarHBondContact O-N 3.16Å; Y457-A460 PolarHBondContact O-N 3.13Å; A460-W462 VanDerWaalsContact C-N 3.3Å; A460-W462 PolarHBondContact O-N 3.41Å; A460-R463 PolarHBondContact O-N 3.14Å; A460-E464 PolarHBondContact O-N 2.87Å
461	V	83.1	Confident	80.2	Confident	69 Å²	69	106 Å²	106	42%	0.418	52%	0.519	S	S	.	.	H	α-helix	trans	-58.6	-42.6	174.4	172.3	0	0	0	0	110.9	Y457 E464 L465	Y457-V461 HydrophobicContact CD1-CG2 4.21Å; Y457-V461 HydrophobicContact CE1-CG2 3.79Å; Y457-V461 HydrophobicContact CE2-CG2 4.32Å; Y457-V461 WeakPolarHBondContact O-CG2 3.47Å; Y457-V461 PolarHBondContact O-N 2.86Å; V461-E464 PolarHBondContact O-N 2.78Å; V461-L465 WeakPolarHBondContact O-CB 3.45Å; V461-L465 PolarHBondContact O-N 3.01Å
462	W	80.2	Confident	80.2	Confident	161 Å²	161	107.3 Å²	107.3	61%	0.61	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-42.3	176.6	-106.4	105.1	0	0	0	113.3	N458 L459 A460 L465 Q466	N458-W462 WeakPolarHBondContact O-CB 3.26Å; N458-W462 PolarHBondContact O-N 2.9Å; L459-W462 PolarHBondContact O-N 2.85Å; A460-W462 VanDerWaalsContact C-N 3.3Å; A460-W462 PolarHBondContact O-N 3.41Å; W462-L465 PolarHBondContact O-N 2.93Å; W462-Q466 HydrophobicContact CE3-CG 4.42Å; W462-Q466 WeakPolarHBondContact O-CG 3.39Å; W462-Q466 PolarHBondContact O-N 2.93Å
463	R	85.8	Confident	79.9	Confident	168 Å²	168	107.1 Å²	107.1	63%	0.634	52%	0.523	S	S	*	.	H	α-helix	trans	-66.3	-39.7	176.6	-75.2	-174.6	-172.2	161.2	4.2	112.2	L459 A460 Q466 G467	L459-R463 WeakPolarHBondContact O-CG 3.33Å; L459-R463 PolarHBondContact O-N 3.2Å; A460-R463 PolarHBondContact O-N 3.14Å; R463-Q466 PolarHBondContact O-N 2.87Å; R463-G467 PolarHBondContact O-N 2.86Å
464	E	85	Confident	79.4	Confident	138 Å²	138	110.8 Å²	110.8	65%	0.645	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-41.4	178	-169.3	156.3	-162.6	0	0	111.2	A460 V461 Q466 G467 E468	A460-E464 PolarHBondContact O-N 2.87Å; V461-E464 PolarHBondContact O-N 2.78Å; E464-Q466 VanDerWaalsContact C-N 3.34Å; E464-Q466 PolarHBondContact O-N 2.77Å; E464-G467 PolarHBondContact O-N 2.81Å; E464-E468 WeakPolarHBondContact O-CB 3.46Å; E464-E468 PolarHBondContact O-N 2.82Å
465	L	82.6	Confident	79.2	Confident	88 Å²	88	112.2 Å²	112.2	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-59	-44.6	172.7	-166	78.5	0	0	0	111.4	V461 W462 E468 Q469	V461-L465 WeakPolarHBondContact O-CB 3.45Å; V461-L465 PolarHBondContact O-N 3.01Å; W462-L465 PolarHBondContact O-N 2.93Å; L465-E468 PolarHBondContact O-N 2.81Å; L465-Q469 VanDerWaalsContact O-CG 3.26Å; L465-Q469 WeakPolarHBondContact O-CG 3.37Å; L465-Q469 PolarHBondContact O-N 3.08Å
466	Q	77.3	Confident	78.7	Confident	116 Å²	116	109.8 Å²	109.8	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-62	-45.3	175.4	-76	-178.3	-14.2	0	0	112.1	W462 R463 E464 E468 Q469 Q470	W462-Q466 HydrophobicContact CE3-CG 4.42Å; W462-Q466 WeakPolarHBondContact O-CG 3.39Å; W462-Q466 PolarHBondContact O-N 2.93Å; R463-Q466 PolarHBondContact O-N 2.87Å; E464-Q466 VanDerWaalsContact C-N 3.34Å; E464-Q466 PolarHBondContact O-N 2.77Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.77Å; Q466-Q469 WeakPolarHBondContact O-CB 3.43Å; Q466-Q469 PolarHBondContact O-N 2.83Å; Q466-Q470 PolarHBondContact O-N 3.36Å
467	G	82.7	Confident	76.9	Confident	32 Å²	32	110.6 Å²	110.6	33%	0.33	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-35.9	177.5	0	0	0	0	0	113.1	R463 E464 Q470 R471	R463-G467 PolarHBondContact O-N 2.86Å; E464-G467 PolarHBondContact O-N 2.81Å; G467-Q470 PolarHBondContact O-N 2.72Å; G467-R471 WeakPolarHBondContact O-CG 3.41Å; G467-R471 PolarHBondContact O-N 2.76Å
468	E	84.9	Confident	74.9	Confident	91 Å²	91	109.4 Å²	109.4	43%	0.425	55%	0.553	S	S	.	*	H	α-helix	trans	-69.5	-39.7	174.9	-166.3	170.4	-173.2	0	0	112.4	E464 L465 Q466 Q470 R471 R472	E464-E468 WeakPolarHBondContact O-CB 3.46Å; E464-E468 PolarHBondContact O-N 2.82Å; L465-E468 PolarHBondContact O-N 2.81Å; Q466-E468 VanDerWaalsContact C-N 3.32Å; Q466-E468 PolarHBondContact O-N 2.77Å; E468-Q470 VanDerWaalsContact C-N 3.28Å; E468-Q470 PolarHBondContact O-N 2.84Å; E468-R471 PolarHBondContact O-N 3.29Å; E468-R472 WeakPolarHBondContact O-CB 3.21Å; E468-R472 PolarHBondContact O-N 3.5Å
469	Q	73.5	Confident	73	Confident	111 Å²	111	111.6 Å²	111.6	52%	0.519	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-40.5	171.4	-68.4	-68.7	-10.6	0	0	111.4	L465 Q466 R472 A473	L465-Q469 VanDerWaalsContact O-CG 3.26Å; L465-Q469 WeakPolarHBondContact O-CG 3.37Å; L465-Q469 PolarHBondContact O-N 3.08Å; Q466-Q469 WeakPolarHBondContact O-CB 3.43Å; Q466-Q469 PolarHBondContact O-N 2.83Å; Q469-R472 PolarHBondContact O-N 2.84Å; Q469-A473 WeakPolarHBondContact O-CB 3.5Å; Q469-A473 PolarHBondContact O-N 3.42Å
470	Q	76.7	Confident	70.5	Confident	127 Å²	127	112.8 Å²	112.8	59%	0.593	59%	0.589	S	S	*	*	H	α-helix	trans	-70.6	-38.5	179.6	-147.7	146.7	-2.6	0	0	112.3	Q466 G467 E468 A473 Q474	Q466-Q470 PolarHBondContact O-N 3.36Å; G467-Q470 PolarHBondContact O-N 2.72Å; E468-Q470 VanDerWaalsContact C-N 3.28Å; E468-Q470 PolarHBondContact O-N 2.84Å; Q470-A473 PolarHBondContact O-N 2.92Å; Q470-Q474 WeakPolarHBondContact O-CG 3.19Å; Q470-Q474 PolarHBondContact O-N 2.99Å
471	R	81.4	Confident	68.1	Low	142 Å²	142	116.3 Å²	116.3	54%	0.536	61%	0.605	S	S	.	*	H	α-helix	trans	-63	-41.1	170.1	-76.8	-173	-64.9	166.9	1	111.9	G467 E468 Q474 M475	G467-R471 WeakPolarHBondContact O-CG 3.41Å; G467-R471 PolarHBondContact O-N 2.76Å; E468-R471 PolarHBondContact O-N 3.29Å; R471-Q474 PolarHBondContact O-N 3.5Å; R471-M475 WeakPolarHBondContact O-CB 3.49Å; R471-M475 WeakPolarHBondContact O-CG 3.42Å; R471-M475 PolarHBondContact O-N 3.15Å
472	R	75.8	Confident	65.8	Low	156 Å²	156	119.3 Å²	119.3	59%	0.589	63%	0.626	S	S	*	*	H	α-helix	trans	-62.1	-41.7	173.7	-88.2	-177.4	165.8	178.6	-0.6	112	E468 Q469 M475 A476	E468-R472 WeakPolarHBondContact O-CB 3.21Å; E468-R472 PolarHBondContact O-N 3.5Å; Q469-R472 PolarHBondContact O-N 2.84Å; R472-M475 PolarHBondContact O-N 3.28Å; R472-A476 WeakPolarHBondContact O-CB 3.46Å; R472-A476 PolarHBondContact O-N 3.45Å
473	A	71.4	Confident	63.4	Low	59 Å²	59	117.3 Å²	117.3	49%	0.488	64%	0.636	S	S	.	*	H	α-helix	trans	-64.8	-37.9	175.9	0	0	0	0	0	112.4	Q469 Q470 A476	Q469-A473 WeakPolarHBondContact O-CB 3.5Å; Q469-A473 PolarHBondContact O-N 3.42Å; Q470-A473 PolarHBondContact O-N 2.92Å; A473-A476 PolarHBondContact O-N 3.47Å
474	Q	70.5	Confident	60.6	Low	138 Å²	138	114.1 Å²	114.1	65%	0.645	64%	0.64	S	S	*	*	H	α-helix	trans	-69.3	-40.5	174.9	-72.1	174.7	5.6	0	0	112.3	Q470 R471 A476 N477	Q470-Q474 WeakPolarHBondContact O-CG 3.19Å; Q470-Q474 PolarHBondContact O-N 2.99Å; R471-Q474 PolarHBondContact O-N 3.5Å; Q474-A476 VanDerWaalsContact C-N 3.25Å; Q474-A476 PolarHBondContact O-N 3.49Å; Q474-N477 PolarHBondContact O-N 2.99Å
475	M	68.6	Low	57.9	Low	158 Å²	158	114.4 Å²	114.4	78%	0.778	65%	0.646	S	S	*	*	H	α-helix	trans	-67.8	-25.7	174.9	-72.8	-174.2	174.5	0	0	112.9	R471 R472 N477	R471-M475 WeakPolarHBondContact O-CB 3.49Å; R471-M475 WeakPolarHBondContact O-CG 3.42Å; R471-M475 PolarHBondContact O-N 3.15Å; R472-M475 PolarHBondContact O-N 3.28Å; M475-N477 VanDerWaalsContact C-N 3.27Å; M475-N477 PolarHBondContact O-N 3.01Å
476	A	63.9	Low	55.2	Low	72 Å²	72	116.1 Å²	116.1	60%	0.595	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-12.2	175.2	0	0	0	0	0	113.8	R472 A473 Q474 P478	R472-A476 WeakPolarHBondContact O-CB 3.46Å; R472-A476 PolarHBondContact O-N 3.45Å; A473-A476 PolarHBondContact O-N 3.47Å; Q474-A476 VanDerWaalsContact C-N 3.25Å; Q474-A476 PolarHBondContact O-N 3.49Å; A476-P478 VanDerWaalsContact C-CD 3.41Å; A476-P478 VanDerWaalsContact O-CD 3.31Å; A476-P478 WeakPolarHBondContact O-CD 3.34Å
477	N	42.6	Very low	52.7	Low	133 Å²	133	115.5 Å²	115.5	71%	0.711	67%	0.668	S	S	*	*			trans	-117.3	72.3	177.5	-83.2	-19.5	0	0	0	112.8	Q474 M475 C479	Q474-N477 PolarHBondContact O-N 2.99Å; M475-N477 VanDerWaalsContact C-N 3.27Å; M475-N477 PolarHBondContact O-N 3.01Å; N477-C479 PolarHBondContact O-N 3.15Å
478	P	41.7	Very low	50	Low	114 Å²	114	118.9 Å²	118.9	74%	0.74	69%	0.687	S	S	*	*			trans	-88.4	71.3	175.3	35.8	-32.5	0	0	0	110.8	A476	A476-P478 VanDerWaalsContact C-CD 3.41Å; A476-P478 VanDerWaalsContact O-CD 3.31Å; A476-P478 WeakPolarHBondContact O-CD 3.34Å
479	C	35.3	Very low	47.3	Very low	121 Å²	121	123.4 Å²	123.4	82%	0.818	71%	0.708	S	S	*	*			trans	-168.3	90.3	161.1	-130.2	0	0	0	0	111.6	N477	N477-C479 PolarHBondContact O-N 3.15Å
480	S	32.9	Very low	44.8	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	72%	0.719	S	S	*	*			trans	-161.5	68.7	154.9	15	0	0	0	0	108.3
481	T	34.2	Very low	42.6	Very low	128 Å²	128	124.5 Å²	124.5	79%	0.785	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-90.3	136.8	153.6	43.1	0	0	0	0	108.1	S483	T481-S483 PolarHBondContact O-N 3.34Å
482	P	34.1	Very low	40	Very low	133 Å²	133	126 Å²	126	86%	0.864	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-84.7	119.6	-167	15.3	0.2	0	0	0	109.6
483	S	31.3	Very low	37.5	Very low	118 Å²	118	123.5 Å²	123.5	83%	0.825	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-100.9	122.6	164.9	67.3	0	0	0	0	110.1	T481	T481-S483 PolarHBondContact O-N 3.34Å
484	S	26.2	Very low	35.4	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.9	166.1	48.8	0	0	0	0	112.5
485	N	27.6	Very low	33.1	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	77%	0.767	S	S	*	*				169.8	110.4	129.2	-88.6	-13.9	0	0	0	108.9
486	V	25.6	Very low	31.2	Very low	124 Å²	124	129.7 Å²	129.7	75%	0.752	77%	0.771	S	S	*	*				83.9	113.1	84.6	170.5	0	0	0	0	112.4
487	S	25.2	Very low	29.4	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	78%	0.782	S	S	*	*			trans	87.8	117.2	148.1	-65.1	0	0	0	0	121.5
488	S	26	Very low	28.6	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	79%	0.785	S	S	*	*			trans	73	109.2	137.4	61.8	0	0	0	0	117.4
489	Q	28.1	Very low	27.9	Very low	185 Å²	185	133 Å²	133	86%	0.864	79%	0.788	S	S	*	*				-169.6	134.1	78.6	-86.3	176.8	16.4	0	0	110.3
490	S	22.7	Very low	27.4	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	79%	0.792	S	S	*	*			trans	-60.5	141.7	165	50	0	0	0	0	111.6
491	L	29.2	Very low	27.1	Very low	152 Å²	152	130.9 Å²	130.9	80%	0.796	79%	0.786	S	S	*	*			trans	-169.2	116.1	138.2	-98	163.3	0	0	0	110.5
492	H	27.9	Very low	26.9	Very low	173 Å²	173	132.9 Å²	132.9	80%	0.801	79%	0.791	S	S	*	*			trans	47.5	114.7	153.3	-68.8	-42.2	0	0	0	124.3
493	S	21.9	Very low	26.4	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	79%	0.793	S	S	*	*			trans	-37.2	141.2	145.8	-46.3	0	0	0	0	116.1
494	T	28.4	Very low	26.3	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	79%	0.792	S	S	*	*				-154.7	116	129	35.2	0	0	0	0	109
495	D	22.6	Very low	26.3	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	79%	0.794	S	S	*	*			trans	-61.4	135.8	165	-68.2	-57.6	0	0	0	110.6
496	Y	27.5	Very low	26.1	Very low	218 Å²	218	141 Å²	141	86%	0.855	80%	0.795	S	S	*	*			trans	-129.9	106.2	158.3	-88.1	-81.9	0	0	0	109.4
497	T	26.3	Very low	26.2	Very low	134 Å²	134	139 Å²	139	82%	0.822	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.3	144.6	176.9	-21.6	0	0	0	0	111
498	V	26.9	Very low	26.1	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.9	-180	179.6	0	0	0	0	111.9
499	P	27	Very low	26.2	Very low	126 Å²	126	148.3 Å²	148.3	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.5	120.7	175.3	3.8	14.2	0	0	0	111.6
500	S	24.3	Very low	25.9	Very low	127 Å²	127	146.4 Å²	146.4	89%	0.888	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-92.7	130.6	158	-70.5	0	0	0	0	108.9
501	G	26.4	Very low	26.1	Very low	71 Å²	71	148.4 Å²	148.4	73%	0.732	81%	0.806	S	S	*	*			trans	163.9	97.2	168.9	0	0	0	0	0	114.1
502	L	28.8	Very low	25.9	Very low	170 Å²	170	148.4 Å²	148.4	89%	0.89	80%	0.802	S	S	*	*			trans	-165.8	82.7	140.9	-103	163.9	0	0	0	108.2	L504	L502-L504 HydrophobicContact CD2-CD1 4.39Å
503	L	25.4	Very low	25.6	Very low	172 Å²	172	148 Å²	148	90%	0.901	80%	0.801	S	S	*	*			trans	-101.5	110.5	168.9	-161.7	90.4	0	0	0	106.8
504	L	28.4	Very low	25.8	Very low	152 Å²	152	149.3 Å²	149.3	80%	0.796	80%	0.799	S	S	*	*			trans	-106.9	105.1	178	-136.6	82.6	0	0	0	110.8	L502	L502-L504 HydrophobicContact CD2-CD1 4.39Å
505	K	26.8	Very low	25.5	Very low	175 Å²	175	149 Å²	149	76%	0.761	80%	0.797	S	S	*	*			trans	25.1	115.4	142.8	-72.1	179.4	173.5	-179.6	0	118.6
506	Q	23.3	Very low	25.5	Very low	168 Å²	168	148.5 Å²	148.5	79%	0.785	80%	0.8	S	S	*	*				66	108.3	88.8	-82.4	-172	-12.4	0	0	115.1
507	G	26.7	Very low	25.5	Very low	82 Å²	82	142.7 Å²	142.7	85%	0.845	80%	0.797	S	S	*	*			trans	-140.1	94.8	159.7	0	0	0	0	0	109.4
508	H	24.1	Very low	25.4	Very low	151 Å²	151	141.1 Å²	141.1	70%	0.699	79%	0.792	S	S	*	*			trans	-74.8	132.1	170.8	-87.2	-114.3	0	0	0	110.7
509	R	28.5	Very low	25.3	Very low	250 Å²	250	140.5 Å²	140.5	94%	0.943	79%	0.793	S	S	*	*			trans	-147.3	113.4	145.7	-74.7	-163.6	177.1	172.1	-1.2	110.1
510	N	21.3	Very low	25.5	Very low	146 Å²	146	140.3 Å²	140.3	78%	0.781	80%	0.795	S	S	*	*			trans	-106.2	143.4	164	-84.4	-34.1	0	0	0	108.2
511	L	27.4	Very low	25.5	Very low	150 Å²	150	141.8 Å²	141.8	79%	0.785	79%	0.792	S	S	*	*			trans	177.8	107	145.4	-122.5	70.9	0	0	0	106.9
512	E	23.3	Very low	25.7	Very low	152 Å²	152	146.8 Å²	146.8	71%	0.71	80%	0.801	S	S	*	*				66.2	107.8	91.4	-67	-176.4	140.1	0	0	113.7
513	Q	22.3	Very low	25.4	Very low	165 Å²	165	147.4 Å²	147.4	77%	0.771	80%	0.8	S	S	*	*				93	148	89.3	-82.5	-171.1	10.9	0	0	114.6
514	N	26	Very low	25.6	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	80%	0.797	S	S	*	*			trans	91.5	104.5	170.9	-58.7	-18	0	0	0	116.7
515	T	21.6	Very low	25.4	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	79%	0.792	S	S	*	*				64.3	111.7	69.9	67.6	0	0	0	0	115.3
516	T	24.3	Very low	25.2	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	80%	0.802	S	S	*	*				147.3	139.4	119.5	48.2	0	0	0	0	114.1
517	A	25.6	Very low	25.4	Very low	97 Å²	97	139.8 Å²	139.8	80%	0.802	81%	0.805	S	S	*	*			trans	68.2	141.3	153.4	0	0	0	0	0	117.9
518	S	25.7	Very low	25.3	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	80%	0.797	S	S	*	*			cis	-179.9	146.6	0.1	45.9	0	0	0	0	108
519	S	24.7	Very low	25.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	80%	0.804	S	S	*	*			trans	69.3	109.7	145.2	-46.3	0	0	0	0	120.9
520	S	32	Very low	26.1	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	79%	0.789	S	S	*	*				-175.9	125.3	104.5	39.2	0	0	0	0	111.3
521	N	23.5	Very low	26.2	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	79%	0.792	S	S	*	*			trans	-67.2	144.1	174.2	-66.6	-43.8	0	0	0	111.2
522	L	30.7	Very low	26.3	Very low	176 Å²	176	138 Å²	138	92%	0.921	80%	0.797	S	S	*	*			trans	-149.6	107.6	142.7	-101.9	158.9	0	0	0	108
523	E	21.1	Very low	26.4	Very low	183 Å²	183	137.3 Å²	137.3	86%	0.855	80%	0.799	S	S	*	*			trans	-101.9	123.1	-177.2	-177.8	-178	-160.8	0	0	107.7
524	V	30.4	Very low	26.8	Very low	141 Å²	141	140.4 Å²	140.4	86%	0.855	80%	0.803	S	S	*	*			trans	-143.5	98.5	160.5	-173.9	0	0	0	0	109.4
525	G	24.3	Very low	26.7	Very low	67 Å²	67	141.5 Å²	141.5	69%	0.691	81%	0.809	S	S	*	*				70.4	103.1	119.3	0	0	0	0	0	120.6
526	F	22.8	Very low	27.3	Very low	218 Å²	218	141 Å²	141	96%	0.956	81%	0.81	S	S	*	*			trans	-38.4	149.5	162.1	-81.5	-100.9	0	0	0	118.6
527	G	26.7	Very low	27.4	Very low	82 Å²	82	144.6 Å²	144.6	85%	0.845	82%	0.815	S	S	*	*			trans	-178.8	103.9	156	0	0	0	0	0	113.9
528	S	24.8	Very low	27.7	Very low	99 Å²	99	145.8 Å²	145.8	69%	0.692	82%	0.817	S	S	*	*			trans	-105.2	137.9	-177.9	42.3	0	0	0	0	113.2
529	H	29	Very low	27.7	Very low	181 Å²	181	147 Å²	147	84%	0.838	82%	0.82	S	S	*	*			trans	64	164.7	157.1	-78	-62.7	0	0	0	120.3
530	P	41.2	Very low	27.8	Very low	98 Å²	98	148.3 Å²	148.3	64%	0.636	82%	0.817	S	S	*	*			cis	-140.2	177.8	-35.9	38.7	-20.5	0	0	0	115.6
531	F	23.7	Very low	27.8	Very low	190 Å²	190	150.8 Å²	150.8	83%	0.833	82%	0.82	S	S	*	*			trans	37.2	118.3	151.5	-75.3	-72.3	0	0	0	121.6
532	L	29.5	Very low	27.9	Very low	173 Å²	173	148.6 Å²	148.6	91%	0.906	82%	0.817	S	S	*	*			trans	-147	118.8	135.4	-83.6	-175.3	0	0	0	112.4
533	N	23.7	Very low	28.1	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	81%	0.808	S	S	*	*			trans	-81.1	132.5	163.8	-180	6.9	0	0	0	108.6
534	R	31.3	Very low	28.6	Very low	229 Å²	229	142.2 Å²	142.2	86%	0.864	81%	0.807	S	S	*	*			trans	-145.3	97	168.2	-119.7	-178	-178.6	-179.1	0.7	111.2
535	N	25.1	Very low	29	Very low	156 Å²	156	146 Å²	146	83%	0.834	81%	0.807	S	S	*	*			trans	-71.8	129.2	151	-88.3	-31.4	0	0	0	108.9
536	S	33.7	Very low	29.2	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	80%	0.804	S	S	*	*			trans	-142.5	104.8	161.9	46	0	0	0	0	110.1
537	K	26.4	Very low	30	Very low	209 Å²	209	143.3 Å²	143.3	91%	0.909	80%	0.801	S	S	*	*			trans	-68	134.7	155.6	-75.1	175.3	172.5	177.5	0	108.4
538	S	32.5	Very low	29.9	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	81%	0.805	S	S	*	*			trans	-135.8	116	159.7	53.6	0	0	0	0	109.4
539	T	25.1	Very low	30.8	Very low	126 Å²	126	155.7 Å²	155.7	77%	0.773	84%	0.837	S	S	*	*			trans	-91.3	164.8	171.9	-56.6	0	0	0	0	109.2
540	I	25.7	Very low	30.9	Very low	142 Å²	142	154.4 Å²	154.4	73%	0.728	84%	0.837	S	S	*	*			trans	98.8	114.1	159.5	-49.6	174.7	0	0	0	114.3
541	L	31.9	Very low	30.4	Very low	174 Å²	174	157.4 Å²	157.4	91%	0.911	85%	0.848	S	S	*	*				-158.6	106.6	124	-97.2	167.2	0	0	0	109.5
542	S	26.8	Very low	30.8	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	85%	0.849	S	S	*	*			trans	-99.9	125.8	163.2	49.7	0	0	0	0	108.1
543	S	34	Very low	30.8	Very low	105 Å²	105	154.5 Å²	154.5	73%	0.734	85%	0.845	S	S	*	*			trans	-132.8	105.1	165.3	61.9	0	0	0	0	109.6
544	S	32.1	Very low	31.3	Very low	120 Å²	120	155.6 Å²	155.6	84%	0.839	85%	0.852	S	S	*	*			trans	-81.7	122.8	165.1	167.4	0	0	0	0	108.4
545	Y	39.6	Very low	31.3	Very low	220 Å²	220	150.7 Å²	150.7	86%	0.863	85%	0.851	S	S	*	*			trans	-121.5	110.4	160.8	-95.6	-84.9	0	0	0	108.1
546	G	27.5	Very low	31.7	Very low	60 Å²	60	150.3 Å²	150.3	62%	0.619	85%	0.852	S	S	*	*			trans	-90.6	146.5	159.4	0	0	0	0	0	109.4
547	N	39.2	Very low	31.6	Very low	169 Å²	169	153.8 Å²	153.8	90%	0.904	86%	0.862	S	S	*	*			trans	-149	130.1	147.9	-109.2	-16.4	0	0	0	109.8
548	R	25.6	Very low	32	Very low	246 Å²	246	149.2 Å²	149.2	93%	0.928	86%	0.858	S	S	*	*			trans	-81.5	136.5	172.7	-73.3	172.9	166.5	179.5	-4.8	109.5
549	S	44.3	Very low	32	Very low	195 Å²	195	151.6 Å²	151.6	100%	1.364	86%	0.858	S	S	*	*				177.6	0	128.1	58.3	0	0	0	0	108.3

Retrieved 549 of 549 residues in 388.6 ms (Link to these results)

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