A0A077Z9I1_TRITR Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077Z9I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 417 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	33.6	Very low	32.6	Very low	249 Å²	249	142 Å²	142	100%	1.227	76%	0.764	S	S	*	*				0	37.9	0	-91.3	-166.2	-85.8	0	0	111
2	Q	28.9	Very low	32.3	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	77%	0.767	S	S	*	*			trans	-156.5	35.6	-170	-152	144.5	2.7	0	0	113.4
3	E	33.1	Very low	32.4	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	75%	0.75	S	S	*	*	S	Bend	trans	-136.8	18.9	-176.8	-77.6	-176.2	156.3	0	0	114
4	I	35.9	Very low	33.2	Very low	154 Å²	154	136.3 Å²	136.3	79%	0.79	73%	0.731	S	S	*	*	S	Bend	trans	-126.9	29.5	-179.9	-40.6	179.3	0	0	0	111.5
5	S	31.5	Very low	33.1	Very low	83 Å²	83	130.4 Å²	130.4	58%	0.58	72%	0.715	S	S	*	*	S	Bend	trans	-98.5	-10.9	173.6	59.5	0	0	0	0	114.5
6	D	31.2	Very low	32.8	Very low	133 Å²	133	133 Å²	133	71%	0.711	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	7	-160.6	-64.5	-1.3	0	0	0	114.4
7	S	32.2	Very low	32.6	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	3.6	174.7	61.6	0	0	0	0	114.4
8	L	35.2	Very low	32.6	Very low	106 Å²	106	133.9 Å²	133.9	56%	0.555	74%	0.736	S	S	*	*	S	Bend	trans	-108.4	2.6	-177.3	-71.9	167.7	0	0	0	113.9
9	S	30.3	Very low	33.3	Very low	93 Å²	93	134 Å²	134	65%	0.65	74%	0.736	S	S	*	*	S	Bend	trans	-89.5	-7.8	-178.2	51.8	0	0	0	0	115.3
10	D	30.8	Very low	34.4	Very low	152 Å²	152	131.7 Å²	131.7	81%	0.813	73%	0.729	S	S	*	*			trans	-99.2	7.3	-177	-84.3	-7.7	0	0	0	115.1	Q12	D10-Q12 PolarHBondContact O-N 3.08Å
11	N	35.7	Very low	36.5	Very low	124 Å²	124	127 Å²	127	66%	0.663	71%	0.711	S	S	*	*			trans	-90.8	93.3	173.5	-84.1	-30.3	0	0	0	110.7
12	Q	29.6	Very low	39.1	Very low	172 Å²	172	116.3 Å²	116.3	80%	0.804	66%	0.659	S	S	*	*			trans	-54.7	134.4	167.5	-77.9	-168.9	-21.4	0	0	110.3	D10 N14	D10-Q12 PolarHBondContact O-N 3.08Å; Q12-N14 PolarHBondContact O-N 3.03Å
13	P	33.2	Very low	42.1	Very low	83 Å²	83	112 Å²	112	54%	0.539	64%	0.641	S	S	.	*			trans	-62.8	130.3	178	25.1	-31.1	0	0	0	109.5	G15	P13-G15 PolarHBondContact O-N 2.87Å
14	N	44.2	Very low	44.9	Very low	91 Å²	91	103.7 Å²	103.7	49%	0.487	60%	0.603	S	S	.	*	S	Bend	trans	-69	25.2	171.6	-110.3	0.9	0	0	0	112.7	Q12	Q12-N14 PolarHBondContact O-N 3.03Å
15	G	31.5	Very low	47.5	Very low	48 Å²	48	98.7 Å²	98.7	50%	0.495	58%	0.579	S	S	.	*	S	Bend	trans	-162.6	69.1	-175.5	0	0	0	0	0	110.6	P13	P13-G15 PolarHBondContact O-N 2.87Å
16	Q	27.4	Very low	50.3	Low	172 Å²	172	95.5 Å²	95.5	80%	0.804	56%	0.556	S	S	*	*	S	Bend	trans	161.3	86.2	145.8	-88.4	167.8	14.6	0	0	110.6
17	T	29.5	Very low	53	Low	128 Å²	128	93.5 Å²	93.5	79%	0.785	54%	0.539	S	S	*	.	S	Bend	trans	168.5	109.9	139.1	43.4	0	0	0	0	109.8	D19	T17-D19 PolarHBondContact O-N 3.14Å; T17-D19 VanDerWaalsContact O-N 3.1Å
18	V	32.8	Very low	55.6	Low	154 Å²	154	90.8 Å²	90.8	93%	0.933	52%	0.522	S	S	*	.			trans	9.8	80.5	156.2	-161.4	0	0	0	0	116.8
19	D	45.7	Very low	58.1	Low	136 Å²	136	86.1 Å²	86.1	73%	0.727	50%	0.498	S	S	*	.			trans	-110.6	132.6	150.5	-167.4	11.2	0	0	0	108.6	T17 G21	T17-D19 PolarHBondContact O-N 3.14Å; T17-D19 VanDerWaalsContact O-N 3.1Å; D19-G21 PolarHBondContact O-N 3.48Å
20	S	56.2	Low	61	Low	87 Å²	87	84.9 Å²	84.9	61%	0.608	49%	0.487	S	S	*	.			trans	-78	16.8	-169.6	63.5	0	0	0	0	113.6	K32	S20-K32 VanDerWaalsContact C-NZ 3.3Å; S20-K32 VanDerWaalsContact O-CD 3.22Å; S20-K32 WeakPolarHBondContact O-CD 3.23Å; S20-K32 WeakPolarHBondContact O-CE 3.47Å; S20-K32 PolarHBondContact O-NZ 3.15Å
21	G	78.2	Confident	63.8	Low	33 Å²	33	77.8 Å²	77.8	34%	0.34	45%	0.449	S	S	.	.	S	Bend	trans	-88	-170.7	-173.1	0	0	0	0	0	115.9	D19	D19-G21 PolarHBondContact O-N 3.48Å
22	D	88.6	Confident	66.2	Low	25 Å²	25	78.5 Å²	78.5	13%	0.134	45%	0.446	C	S	.	.			trans	-73.5	140.1	-177.9	-59.8	-30.3	0	0	0	112.1	V30 S31 K32 V37 D38 R45	D22-V30 CarbonylContact C-O 3.52Å; D22-V30 WeakPolarHBondContact CA-O 3.37Å; D22-S31 VanDerWaalsContact OD1-CA 3.26Å; D22-S31 WeakPolarHBondContact OD1-CA 3.49Å; D22-S31 PolarHBondContact OD1-OG 3.1Å; D22-K32 PolarHBondContact OD1-N 3.21Å; D22-K32 VanDerWaalsContact OD1-N 3.13Å; D22-V37 HydrophobicContact CB-CG1 4.45Å; D22-V37 WeakPolarHBondContact OD2-CA 3.3Å; D22-D38 PolarHBondContact OD2-N 3.03Å; D22-R45 PolarHBondContact O-NH1 2.65Å; D22-R45 PolarHBondContact O-NH2 3.33Å; D22-R45 VanDerWaalsContact O-NH2 3.12Å
23	I	91.3	Very high	69	Low	96 Å²	96	72.5 Å²	72.5	49%	0.492	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.7	176.1	-60.4	170.6	0	0	0	108	T25 V29 V30	I23-T25 HydrophobicContact CG2-CG2 4.28Å; I23-V29 CarbonylContact O-C 3.57Å; I23-V29 VanDerWaalsContact O-CA 3.27Å; I23-V29 WeakPolarHBondContact O-CA 3.46Å; I23-V30 HydrophobicContact CB-CB 4.31Å; I23-V30 PolarHBondContact N-O 3.14Å; I23-V30 PolarHBondContact O-N 3.25Å
24	V	91.6	Very high	71.4	Confident	10 Å²	10	73.2 Å²	73.2	6%	0.061	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110.8	175.4	-178.6	0	0	0	0	108.5	V29 V37 L42 F46 D251 F278	V24-V29 HydrophobicContact CG1-CG2 4.4Å; V24-V29 HydrophobicContact CG2-CG1 4.5Å; V24-V37 HydrophobicContact CG2-CG1 4.22Å; V24-L42 HydrophobicContact CB-CD1 4.03Å; V24-L42 HydrophobicContact CG1-CD1 4.42Å; V24-L42 HydrophobicContact CG1-CD2 4.3Å; V24-L42 HydrophobicContact CG2-CD1 3.95Å; V24-L42 HydrophobicContact CG2-CD2 4.05Å; V24-F46 HydrophobicContact CB-CZ 4.2Å; V24-F46 HydrophobicContact CG1-CE2 4.34Å; V24-F46 HydrophobicContact CG1-CZ 4.14Å; V24-D251 HydrophobicContact CG1-CB 4.12Å; V24-F278 HydrophobicContact CG1-CE2 4Å; V24-F278 HydrophobicContact CG1-CZ 3.69Å; V24-F278 HydrophobicContact CG2-CE2 4.34Å
25	T	91.5	Very high	73.4	Confident	48 Å²	48	75 Å²	75	29%	0.294	43%	0.428	S	S	.	.			trans	-138.8	163.3	178.2	64.3	0	0	0	0	108.5	I23 W27 A28 D251	I23-T25 HydrophobicContact CG2-CG2 4.28Å; T25-W27 PolarHBondContact O-N 2.87Å; T25-A28 PolarHBondContact N-O 3.05Å; T25-A28 PolarHBondContact O-N 2.74Å; T25-A28 VanDerWaalsContact O-O 3.12Å; T25-A28 PolarHBondContact OG1-N 2.75Å; T25-A28 PolarHBondContact OG1-O 2.94Å; T25-A28 VanDerWaalsContact OG1-O 3.07Å; T25-D251 WeakPolarHBondContact O-CB 3.41Å
26	P	89.2	Confident	76.2	Confident	16 Å²	16	73 Å²	73	10%	0.104	41%	0.408	C	S	.	.	S	Bend	trans	-55	-27.9	177.8	-26.3	33.9	0	0	0	113.9	F206 D251 P254 Y255	P26-F206 HydrophobicContact CG-CD1 4.43Å; P26-F206 HydrophobicContact CG-CE1 4.46Å; P26-D251 WeakPolarHBondContact CA-O 3.27Å; P26-D251 WeakPolarHBondContact CG-O 3.31Å; P26-P254 HydrophobicContact CG-CG 4.43Å; P26-Y255 HydrophobicContact CB-CE2 3.79Å; P26-Y255 HydrophobicContact CG-CD2 4.14Å; P26-Y255 HydrophobicContact CG-CE2 3.72Å
27	W	88.2	Confident	79.2	Confident	92 Å²	92	65.5 Å²	65.5	35%	0.348	37%	0.374	S	S	.	.	S	Bend	trans	-97.5	-27.5	-177.7	-53.6	-72.6	0	0	0	114.5	T25 W142 F206 F208	T25-W27 PolarHBondContact O-N 2.87Å; W27-W142 AromaticContact CD1-NE1 3.99Å; W27-W142 AromaticContact CE2-CE2 3.99Å; W27-W142 AromaticContact CE2-NE1 3.57Å; W27-W142 AromaticContact CZ2-CE2 3.93Å; W27-W142 AromaticContact CZ2-CZ2 3.57Å; W27-W142 HydrophobicContact CZ2-CZ2 3.57Å; W27-W142 AromaticContact CZ2-NE1 3.88Å; W27-W142 AromaticContact NE1-CD1 3.72Å; W27-W142 AromaticContact NE1-CE2 3.69Å; W27-W142 AromaticContact NE1-NE1 3.22Å; W27-F206 HydrophobicContact CH2-CB 3.71Å; W27-F206 AromaticContact CH2-CD1 3.71Å; W27-F206 HydrophobicContact CH2-CD1 3.71Å; W27-F206 HydrophobicContact CH2-CG 4.06Å; W27-F206 HydrophobicContact CZ3-CB 4.03Å; W27-F206 HydrophobicContact CZ3-CD1 4.23Å; W27-F206 WeakPolarHBondContact CZ3-O 3.34Å; W27-F208 AromaticContact CH2-CE1 3.6Å; W27-F208 HydrophobicContact CH2-CE1 3.6Å; W27-F208 AromaticContact CH2-CZ 3.67Å; W27-F208 HydrophobicContact CH2-CZ 3.67Å; W27-F208 AromaticContact CZ2-CE1 3.88Å; W27-F208 HydrophobicContact CZ2-CE1 3.88Å; W27-F208 AromaticContact CZ2-CZ 3.91Å; W27-F208 HydrophobicContact CZ2-CZ 3.91Å; W27-F208 HydrophobicContact CZ3-CE1 4.43Å
28	A	87.5	Confident	82.2	Confident	40 Å²	40	62.1 Å²	62.1	33%	0.331	35%	0.351	S	S	.	.			trans	-141	133.6	-172.4	0	0	0	0	0	112.6	T25	T25-A28 PolarHBondContact N-O 3.05Å; T25-A28 PolarHBondContact O-N 2.74Å; T25-A28 VanDerWaalsContact O-O 3.12Å; T25-A28 PolarHBondContact OG1-N 2.75Å; T25-A28 PolarHBondContact OG1-O 2.94Å; T25-A28 VanDerWaalsContact OG1-O 3.07Å
29	V	88.4	Confident	85.1	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.6	170.2	178	0	0	0	0	108	I23 V24 V37 D251 F278 K288	I23-V29 CarbonylContact O-C 3.57Å; I23-V29 VanDerWaalsContact O-CA 3.27Å; I23-V29 WeakPolarHBondContact O-CA 3.46Å; V24-V29 HydrophobicContact CG1-CG2 4.4Å; V24-V29 HydrophobicContact CG2-CG1 4.5Å; V29-V37 HydrophobicContact CG1-CG2 3.79Å; V29-D251 HydrophobicContact CG2-CB 4.37Å; V29-F278 HydrophobicContact CB-CE2 4.47Å; V29-F278 HydrophobicContact CG1-CD2 3.65Å; V29-F278 HydrophobicContact CG1-CE2 3.73Å; V29-F278 HydrophobicContact CG1-CG 4.25Å; V29-F278 HydrophobicContact CG1-CZ 4.39Å; V29-F278 HydrophobicContact CG2-CD1 4.24Å; V29-F278 HydrophobicContact CG2-CD2 4.25Å; V29-F278 HydrophobicContact CG2-CE1 3.86Å; V29-F278 HydrophobicContact CG2-CE2 3.86Å; V29-F278 HydrophobicContact CG2-CG 4.42Å; V29-F278 HydrophobicContact CG2-CZ 3.65Å; V29-K288 HydrophobicContact CB-CB 4.27Å; V29-K288 HydrophobicContact CB-CD 4.12Å; V29-K288 HydrophobicContact CB-CG 4Å; V29-K288 HydrophobicContact CG2-CD 3.71Å; V29-K288 HydrophobicContact CG2-CG 4.17Å
30	V	90	Very high	87.4	Confident	67 Å²	67	54.6 Å²	54.6	41%	0.406	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114.9	179.8	-175.5	0	0	0	0	109	D22 I23 K286	D22-V30 CarbonylContact C-O 3.52Å; D22-V30 WeakPolarHBondContact CA-O 3.37Å; I23-V30 HydrophobicContact CB-CB 4.31Å; I23-V30 PolarHBondContact N-O 3.14Å; I23-V30 PolarHBondContact O-N 3.25Å; V30-K286 WeakPolarHBondContact CA-O 3.36Å
31	S	89.2	Confident	89.1	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.028	30%	0.302	C	S	.	.			trans	-95.9	146.5	170	169.5	0	0	0	0	111.4	D22 S33 G36 K286	D22-S31 VanDerWaalsContact OD1-CA 3.26Å; D22-S31 WeakPolarHBondContact OD1-CA 3.49Å; D22-S31 PolarHBondContact OD1-OG 3.1Å; S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 PolarHBondContact OG-O 2.91Å; S31-G36 VanDerWaalsContact CB-C 3.47Å; S31-G36 WeakPolarHBondContact CB-O 3.47Å; S31-G36 PolarHBondContact OG-O 3.47Å; S31-K286 PolarHBondContact N-O 3.13Å
32	K	86.4	Confident	89.8	Confident	139 Å²	139	55.9 Å²	55.9	60%	0.604	29%	0.287	S	S	*	.	S	Bend	trans	-82.9	-18.9	170.5	-63.4	-166.9	-174.7	175.5	0	113.1	S20 D22	S20-K32 VanDerWaalsContact C-NZ 3.3Å; S20-K32 VanDerWaalsContact O-CD 3.22Å; S20-K32 WeakPolarHBondContact O-CD 3.23Å; S20-K32 WeakPolarHBondContact O-CE 3.47Å; S20-K32 PolarHBondContact O-NZ 3.15Å; D22-K32 PolarHBondContact OD1-N 3.21Å; D22-K32 VanDerWaalsContact OD1-N 3.13Å
33	S	88.1	Confident	90.1	Very high	45 Å²	45	55.1 Å²	55.1	32%	0.315	28%	0.284	S	S	.	.	S	Bend	trans	-89.3	146.8	179.7	-175.5	0	0	0	0	112	S31 E35 G36 K286	S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 PolarHBondContact OG-O 2.91Å; S33-E35 PolarHBondContact O-N 3.07Å; S33-E35 PolarHBondContact OG-N 3.4Å; S33-E35 VanDerWaalsContact OG-N 3.12Å; S33-G36 PolarHBondContact O-N 3.39Å; S33-K286 VanDerWaalsContact O-CG 3.28Å; S33-K286 WeakPolarHBondContact O-CG 3.37Å
34	N	84.9	Confident	90.2	Very high	98 Å²	98	58.8 Å²	58.8	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.7	169.3	-69.9	-22	0	0	0	112.3	G36 K286 V335	N34-G36 PolarHBondContact O-N 3.05Å; N34-K286 WeakPolarHBondContact OD1-CE 3.1Å; N34-K286 PolarHBondContact OD1-NZ 3.28Å; N34-V335 HydrophobicContact CB-CG1 4.4Å
35	E	85.7	Confident	90.2	Very high	128 Å²	128	62.9 Å²	62.9	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.1	176.3	-63.2	167.5	-177.9	0	0	112.3	S33 V335	S33-E35 PolarHBondContact O-N 3.07Å; S33-E35 PolarHBondContact OG-N 3.4Å; S33-E35 VanDerWaalsContact OG-N 3.12Å; E35-V335 HydrophobicContact CG-CG1 4.09Å
36	G	89.4	Confident	90.3	Very high	8 Å²	8	61 Å²	61	8%	0.082	30%	0.298	C	S	.	.			trans	96.2	-158.2	-178.6	0	0	0	0	0	113.3	S31 S33 N34 A285	S31-G36 VanDerWaalsContact CB-C 3.47Å; S31-G36 WeakPolarHBondContact CB-O 3.47Å; S31-G36 PolarHBondContact OG-O 3.47Å; S33-G36 PolarHBondContact O-N 3.39Å; N34-G36 PolarHBondContact O-N 3.05Å; G36-A285 VanDerWaalsContact CA-O 3.3Å; G36-A285 WeakPolarHBondContact CA-O 3.41Å
37	V	90.8	Very high	90.5	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.085	32%	0.318	C	S	.	.			trans	-72.8	134.5	-171.8	176	0	0	0	0	110.9	D22 V24 V29 Y39 L42 F278	D22-V37 HydrophobicContact CB-CG1 4.45Å; D22-V37 WeakPolarHBondContact OD2-CA 3.3Å; V24-V37 HydrophobicContact CG2-CG1 4.22Å; V29-V37 HydrophobicContact CG1-CG2 3.79Å; V37-Y39 HydrophobicContact CB-CE1 4.13Å; V37-Y39 HydrophobicContact CB-CE2 4.37Å; V37-Y39 HydrophobicContact CG1-CD1 4.19Å; V37-Y39 HydrophobicContact CG1-CE1 4.13Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.28Å; V37-Y39 PolarHBondContact O-N 2.8Å; V37-L42 HydrophobicContact CG1-CD2 3.98Å; V37-F278 HydrophobicContact CG2-CD2 4.22Å; V37-F278 HydrophobicContact CG2-CE2 4.44Å
38	D	92.8	Very high	90.8	Very high	56 Å²	56	58.9 Å²	58.9	30%	0.299	31%	0.305	S	S	.	.			trans	-76	89.6	170.4	-173.5	-28.3	0	0	0	109.8	D22 D40 K41 L42	D22-D38 PolarHBondContact OD2-N 3.03Å; D38-D40 PolarHBondContact O-N 2.59Å; D38-D40 PolarHBondContact OD1-N 3.46Å; D38-K41 HydrophobicContact CB-CB 4.24Å; D38-K41 HydrophobicContact CB-CD 4.3Å; D38-K41 HydrophobicContact CB-CG 4.43Å; D38-K41 PolarHBondContact O-N 2.93Å; D38-K41 PolarHBondContact OD1-N 2.96Å; D38-K41 WeakPolarHBondContact OD2-CD 3.49Å; D38-K41 WeakPolarHBondContact OD2-CE 3.46Å; D38-K41 WeakPolarHBondContact OD2-CG 3.31Å; D38-K41 IonicContact OD2-NZ 3.23Å; D38-K41 PolarHBondContact OD2-NZ 3.49Å; D38-L42 WeakPolarHBondContact O-CB 3.31Å; D38-L42 PolarHBondContact O-N 3.3Å
39	Y	93.8	Very high	91.3	Very high	51 Å²	51	62 Å²	62	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-27.1	-177	-69.4	-66.9	0	0	0	113.3	V37 L42 V43 F77 T277 F278	V37-Y39 HydrophobicContact CB-CE1 4.13Å; V37-Y39 HydrophobicContact CB-CE2 4.37Å; V37-Y39 HydrophobicContact CG1-CD1 4.19Å; V37-Y39 HydrophobicContact CG1-CE1 4.13Å; V37-Y39 VanDerWaalsContact O-CD2 3.25Å; V37-Y39 WeakPolarHBondContact O-CD2 3.28Å; V37-Y39 PolarHBondContact O-N 2.8Å; Y39-L42 HydrophobicContact CD1-CD2 4.23Å; Y39-L42 PolarHBondContact O-N 2.93Å; Y39-V43 VanDerWaalsContact O-CG2 3.28Å; Y39-V43 WeakPolarHBondContact O-CG2 3.38Å; Y39-V43 PolarHBondContact O-N 3.45Å; Y39-F77 AromaticContact CD1-CE1 3.83Å; Y39-F77 HydrophobicContact CD1-CE1 3.83Å; Y39-F77 AromaticContact CD1-CE2 3.96Å; Y39-F77 HydrophobicContact CD1-CE2 3.96Å; Y39-F77 AromaticContact CD1-CZ 3.43Å; Y39-F77 HydrophobicContact CD1-CZ 3.43Å; Y39-F77 VanDerWaalsContact CD1-CZ 3.43Å; Y39-F77 HydrophobicContact CE1-CE1 4.32Å; Y39-F77 HydrophobicContact CE1-CZ 4.29Å; Y39-F77 HydrophobicContact CG-CE1 4.49Å; Y39-F77 HydrophobicContact CG-CE2 4.1Å; Y39-F77 HydrophobicContact CG-CZ 4.04Å; Y39-T277 HydrophobicContact CD1-CG2 3.96Å; Y39-T277 HydrophobicContact CD2-CG2 3.78Å; Y39-T277 HydrophobicContact CE1-CG2 3.74Å; Y39-T277 HydrophobicContact CE2-CG2 3.54Å; Y39-T277 HydrophobicContact CG-CG2 3.99Å; Y39-T277 VanDerWaalsContact CZ-CB 3.43Å; Y39-T277 WeakPolarHBondContact OH-CB 3.36Å; Y39-F278 HydrophobicContact CE1-CD2 4.05Å; Y39-F278 HydrophobicContact CE1-CE2 4.28Å; Y39-F278 PolarHBondContact OH-N 3.25Å
40	D	93.6	Very high	91.7	Very high	82 Å²	82	66.6 Å²	66.6	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-43.9	177.7	-82.2	8.4	0	0	0	111.8	D38 L42 K44 K50	D38-D40 PolarHBondContact O-N 2.59Å; D38-D40 PolarHBondContact OD1-N 3.46Å; D40-L42 VanDerWaalsContact C-N 3.3Å; D40-K44 PolarHBondContact O-N 3.28Å; D40-K50 WeakPolarHBondContact OD1-CE 3Å; D40-K50 IonicContact OD1-NZ 2.73Å; D40-K50 PolarHBondContact OD1-NZ 3.2Å; D40-K50 IonicContact OD2-NZ 3.74Å; D40-K50 PolarHBondContact OD2-NZ 3.03Å
41	K	93	Very high	92.1	Very high	142 Å²	142	64.4 Å²	64.4	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-65.3	-37.3	170.5	-72.8	-177.5	-169.6	128.6	0	111.4	D38 K44 R45	D38-K41 HydrophobicContact CB-CB 4.24Å; D38-K41 HydrophobicContact CB-CD 4.3Å; D38-K41 HydrophobicContact CB-CG 4.43Å; D38-K41 PolarHBondContact O-N 2.93Å; D38-K41 PolarHBondContact OD1-N 2.96Å; D38-K41 WeakPolarHBondContact OD2-CD 3.49Å; D38-K41 WeakPolarHBondContact OD2-CE 3.46Å; D38-K41 WeakPolarHBondContact OD2-CG 3.31Å; D38-K41 IonicContact OD2-NZ 3.23Å; D38-K41 PolarHBondContact OD2-NZ 3.49Å; K41-K44 PolarHBondContact O-N 3.46Å; K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 3.41Å
42	L	92.9	Very high	92.5	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-42.6	179.3	-170.7	61.4	0	0	0	112.2	V24 V37 D38 Y39 D40 K44 R45 F46 I250	V24-L42 HydrophobicContact CB-CD1 4.03Å; V24-L42 HydrophobicContact CG1-CD1 4.42Å; V24-L42 HydrophobicContact CG1-CD2 4.3Å; V24-L42 HydrophobicContact CG2-CD1 3.95Å; V24-L42 HydrophobicContact CG2-CD2 4.05Å; V37-L42 HydrophobicContact CG1-CD2 3.98Å; D38-L42 WeakPolarHBondContact O-CB 3.31Å; D38-L42 PolarHBondContact O-N 3.3Å; Y39-L42 HydrophobicContact CD1-CD2 4.23Å; Y39-L42 PolarHBondContact O-N 2.93Å; D40-L42 VanDerWaalsContact C-N 3.3Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 2.89Å; L42-R45 PolarHBondContact O-N 3.25Å; L42-F46 HydrophobicContact CD1-CD1 3.97Å; L42-F46 HydrophobicContact CD1-CD2 4.26Å; L42-F46 HydrophobicContact CD1-CE1 3.71Å; L42-F46 HydrophobicContact CD1-CE2 4.01Å; L42-F46 HydrophobicContact CD1-CG 4.25Å; L42-F46 HydrophobicContact CD1-CZ 3.74Å; L42-F46 HydrophobicContact CG-CD2 4.49Å; L42-F46 WeakPolarHBondContact O-CB 3.49Å; L42-F46 PolarHBondContact O-N 3.32Å; L42-I250 HydrophobicContact CD2-CB 4.46Å; L42-I250 HydrophobicContact CD2-CD1 3.78Å; L42-I250 HydrophobicContact CD2-CG1 4.16Å; L42-I250 HydrophobicContact CD2-CG2 3.55Å; L42-I250 HydrophobicContact CG-CD1 3.89Å
43	V	93.7	Very high	92.9	Very high	10 Å²	10	66.2 Å²	66.2	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-46.6	175	168.2	0	0	0	0	111.1	Y39 G47 C48 K50 F77 A78	Y39-V43 VanDerWaalsContact O-CG2 3.28Å; Y39-V43 WeakPolarHBondContact O-CG2 3.38Å; Y39-V43 PolarHBondContact O-N 3.45Å; V43-G47 WeakPolarHBondContact O-CA 3.49Å; V43-G47 PolarHBondContact O-N 3.16Å; V43-C48 HydrophobicContact CG1-CB 4.46Å; V43-C48 WeakPolarHBondContact CG1-O 3.35Å; V43-C48 PolarHBondContact O-N 3.39Å; V43-C48 VanDerWaalsContact O-N 3.09Å; V43-K50 HydrophobicContact CG1-CG 4.08Å; V43-K50 HydrophobicContact CG2-CG 4.43Å; V43-F77 HydrophobicContact CG2-CD2 4.04Å; V43-F77 HydrophobicContact CG2-CE2 3.46Å; V43-F77 VanDerWaalsContact CG2-CE2 3.46Å; V43-F77 HydrophobicContact CG2-CZ 4.41Å; V43-A78 HydrophobicContact CG2-CB 3.75Å
44	K	94	Very high	93.4	Very high	173 Å²	173	66 Å²	66	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-46.2	176.5	-68.6	178.4	-178.1	178.2	0	111.7	D40 K41 L42 F46 G47	D40-K44 PolarHBondContact O-N 3.28Å; K41-K44 PolarHBondContact O-N 3.46Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 2.89Å; K44-F46 PolarHBondContact O-N 3.01Å; K44-G47 PolarHBondContact O-N 3.46Å
45	R	92.2	Very high	93.9	Very high	95 Å²	95	62.1 Å²	62.1	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-41	-179.5	-175.6	175.8	68.9	-176.3	0.8	112.4	D22 K41 L42 G47	D22-R45 PolarHBondContact O-NH1 2.65Å; D22-R45 PolarHBondContact O-NH2 3.33Å; D22-R45 VanDerWaalsContact O-NH2 3.12Å; K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 3.41Å; L42-R45 PolarHBondContact O-N 3.25Å; R45-G47 VanDerWaalsContact C-N 3.35Å
46	F	92.9	Very high	94.5	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-84.2	-15.6	-179.3	-74.7	12.5	0	0	0	111.8	V24 L42 K44 R80 I250 D253	V24-F46 HydrophobicContact CB-CZ 4.2Å; V24-F46 HydrophobicContact CG1-CE2 4.34Å; V24-F46 HydrophobicContact CG1-CZ 4.14Å; L42-F46 HydrophobicContact CD1-CD1 3.97Å; L42-F46 HydrophobicContact CD1-CD2 4.26Å; L42-F46 HydrophobicContact CD1-CE1 3.71Å; L42-F46 HydrophobicContact CD1-CE2 4.01Å; L42-F46 HydrophobicContact CD1-CG 4.25Å; L42-F46 HydrophobicContact CD1-CZ 3.74Å; L42-F46 HydrophobicContact CG-CD2 4.49Å; L42-F46 WeakPolarHBondContact O-CB 3.49Å; L42-F46 PolarHBondContact O-N 3.32Å; K44-F46 PolarHBondContact O-N 3.01Å; F46-R80 PolarHBondContact O-NH2 2.84Å; F46-I250 HydrophobicContact CD2-CD1 4.21Å; F46-I250 HydrophobicContact CD2-CG1 3.87Å; F46-I250 HydrophobicContact CE2-CG1 4.1Å; F46-D253 HydrophobicContact CD2-CB 3.81Å; F46-D253 HydrophobicContact CE2-CB 4.12Å
47	G	93.8	Very high	94.9	Very high	50 Å²	50	63.6 Å²	63.6	52%	0.515	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	38	-177.9	0	0	0	0	0	111.9	V43 K44 R45 R80	V43-G47 WeakPolarHBondContact O-CA 3.49Å; V43-G47 PolarHBondContact O-N 3.16Å; K44-G47 PolarHBondContact O-N 3.46Å; R45-G47 VanDerWaalsContact C-N 3.35Å; G47-R80 PolarHBondContact O-NH1 3.36Å
48	C	94.6	Very high	95.2	Very high	13 Å²	13	65.7 Å²	65.7	9%	0.088	34%	0.335	C	S	.	.			trans	-93.2	172.5	172.3	-55.3	0	0	0	0	110	V43 A78 R80 Y275	V43-C48 HydrophobicContact CG1-CB 4.46Å; V43-C48 WeakPolarHBondContact CG1-O 3.35Å; V43-C48 PolarHBondContact O-N 3.39Å; V43-C48 VanDerWaalsContact O-N 3.09Å; C48-A78 HydrophobicContact CB-CB 4.37Å; C48-R80 VanDerWaalsContact SG-CZ 3.52Å; C48-R80 PolarHBondContact SG-NH2 2.65Å; C48-R80 VanDerWaalsContact SG-NH2 3.43Å; C48-Y275 HydrophobicContact CB-CD2 4.48Å; C48-Y275 HydrophobicContact CB-CE2 4.28Å; C48-Y275 VanDerWaalsContact SG-CE2 3.56Å
49	E	96.9	Very high	95.4	Very high	105 Å²	105	63.1 Å²	63.1	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.4	173.3	-69.4	168	-120.2	0	0	110.2	A78 H79	E49-A78 CarbonylContact O-C 3.49Å; E49-A78 WeakPolarHBondContact O-CA 3.37Å; E49-A78 WeakPolarHBondContact O-CB 3.23Å; E49-H79 PolarHBondContact N-O 2.95Å; E49-H79 PolarHBondContact O-N 2.83Å; E49-H79 IonicContact OE2-CE1 3.42Å; E49-H79 PolarHBondContact OE2-CE1 3.01Å; E49-H79 IonicContact OE2-NE2 2.74Å
50	K	97.4	Very high	95.6	Very high	105 Å²	105	62 Å²	62	46%	0.457	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.5	173.1	-67.9	-165.2	-174.2	-171.4	0	110.3	D40 V43 D52 F77	D40-K50 WeakPolarHBondContact OD1-CE 3Å; D40-K50 IonicContact OD1-NZ 2.73Å; D40-K50 PolarHBondContact OD1-NZ 3.2Å; D40-K50 IonicContact OD2-NZ 3.74Å; D40-K50 PolarHBondContact OD2-NZ 3.03Å; V43-K50 HydrophobicContact CG1-CG 4.08Å; V43-K50 HydrophobicContact CG2-CG 4.43Å; K50-D52 PolarHBondContact O-N 3.25Å; K50-F77 WeakPolarHBondContact CA-O 3.43Å
51	I	97.9	Very high	95.8	Very high	22 Å²	22	64.4 Å²	64.4	11%	0.113	33%	0.333	C	S	.	.			trans	-75.1	114.3	168.2	-61.5	173.7	0	0	0	107.8	L55 I56 L71 F76 F77 H79 I274	I51-L55 HydrophobicContact CG1-CD2 4.36Å; I51-L55 HydrophobicContact CG2-CB 4.44Å; I51-L55 HydrophobicContact CG2-CD2 4.3Å; I51-I56 HydrophobicContact CG2-CD1 4.14Å; I51-I56 HydrophobicContact CG2-CG1 3.68Å; I51-L71 HydrophobicContact CD1-CD2 4.08Å; I51-L71 HydrophobicContact CG2-CD2 4.36Å; I51-F76 HydrophobicContact CD1-CB 4.43Å; I51-F77 PolarHBondContact N-O 3.37Å; I51-H79 HydrophobicContact CG1-CB 4.25Å; I51-I274 HydrophobicContact CD1-CD1 3.77Å; I51-I274 HydrophobicContact CD1-CG1 3.71Å
52	D	96.7	Very high	96	Very high	98 Å²	98	59.4 Å²	59.4	52%	0.524	31%	0.313	S	S	.	.			trans	-95.8	173.3	175.8	70.3	26.2	0	0	0	112.5	K50 G54 L55 I56	K50-D52 PolarHBondContact O-N 3.25Å; D52-G54 PolarHBondContact O-N 3.35Å; D52-G54 VanDerWaalsContact OD1-CA 3.3Å; D52-G54 WeakPolarHBondContact OD1-CA 3.47Å; D52-G54 PolarHBondContact OD1-N 3.2Å; D52-L55 PolarHBondContact O-N 2.88Å; D52-L55 PolarHBondContact OD1-N 3.45Å; D52-I56 WeakPolarHBondContact O-CG1 3.31Å; D52-I56 PolarHBondContact O-N 2.85Å; D52-I56 VanDerWaalsContact O-N 3.16Å
53	S	96.3	Very high	96.2	Very high	83 Å²	83	59.8 Å²	59.8	58%	0.58	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-24.5	178.3	67.2	0	0	0	0	113.6	K57	S53-K57 WeakPolarHBondContact O-CB 3.22Å; S53-K57 VanDerWaalsContact O-CG 3.24Å; S53-K57 WeakPolarHBondContact O-CG 3.31Å; S53-K57 PolarHBondContact O-N 3.3Å
54	G	97.2	Very high	96.3	Very high	41 Å²	41	64.4 Å²	64.4	42%	0.423	35%	0.348	S	S	.	.	H	α-helix	trans	-69.2	-44.8	176.2	0	0	0	0	0	111.2	D52 K57 R58	D52-G54 PolarHBondContact O-N 3.35Å; D52-G54 VanDerWaalsContact OD1-CA 3.3Å; D52-G54 WeakPolarHBondContact OD1-CA 3.47Å; D52-G54 PolarHBondContact OD1-N 3.2Å; G54-K57 PolarHBondContact O-N 3.31Å; G54-R58 WeakPolarHBondContact O-CB 3.18Å; G54-R58 PolarHBondContact O-N 2.86Å
55	L	96.9	Very high	96.4	Very high	16 Å²	16	60.6 Å²	60.6	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-40.7	177.5	-163.5	63	0	0	0	111.8	I51 D52 R58 I59 H79 L82 L86	I51-L55 HydrophobicContact CG1-CD2 4.36Å; I51-L55 HydrophobicContact CG2-CB 4.44Å; I51-L55 HydrophobicContact CG2-CD2 4.3Å; D52-L55 PolarHBondContact O-N 2.88Å; D52-L55 PolarHBondContact OD1-N 3.45Å; L55-R58 WeakPolarHBondContact O-CB 3.37Å; L55-R58 PolarHBondContact O-N 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.07Å; L55-H79 VanDerWaalsContact CD2-CD2 3.48Å; L55-H79 WeakPolarHBondContact CD2-CD2 3.45Å; L55-H79 WeakPolarHBondContact CD2-NE2 3.34Å; L55-L82 HydrophobicContact CD2-CB 4.32Å; L55-L82 HydrophobicContact CD2-CD2 3.66Å; L55-L82 HydrophobicContact CD2-CG 4.1Å; L55-L82 HydrophobicContact CG-CD2 4.23Å; L55-L86 HydrophobicContact CD1-CD1 3.48Å; L55-L86 VanDerWaalsContact CD1-CD1 3.48Å; L55-L86 HydrophobicContact CG-CD1 4.35Å
56	I	97.8	Very high	96.6	Very high	30 Å²	30	60.6 Å²	60.6	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-49.2	174.2	-64.2	171.4	0	0	0	110.5	I51 D52 R58 I59 C60 A67 L71	I51-I56 HydrophobicContact CG2-CD1 4.14Å; I51-I56 HydrophobicContact CG2-CG1 3.68Å; D52-I56 WeakPolarHBondContact O-CG1 3.31Å; D52-I56 PolarHBondContact O-N 2.85Å; D52-I56 VanDerWaalsContact O-N 3.16Å; I56-R58 VanDerWaalsContact C-N 3.26Å; I56-R58 PolarHBondContact O-N 3.08Å; I56-I59 PolarHBondContact O-N 2.56Å; I56-C60 PolarHBondContact O-N 2.91Å; I56-C60 VanDerWaalsContact O-N 3.13Å; I56-C60 PolarHBondContact O-SG 3.49Å; I56-A67 HydrophobicContact CG2-CB 3.5Å; I56-A67 VanDerWaalsContact CG2-CB 3.5Å; I56-L71 HydrophobicContact CD1-CB 4.49Å; I56-L71 HydrophobicContact CG1-CB 4.42Å
57	K	97.7	Very high	96.8	Very high	136 Å²	136	60.6 Å²	60.6	59%	0.591	35%	0.347	S	S	*	.	H	α-helix	trans	-59.1	-38.6	176	-75.5	172.4	-177	177.9	0	111.8	S53 G54 C60 N61	S53-K57 WeakPolarHBondContact O-CB 3.22Å; S53-K57 VanDerWaalsContact O-CG 3.24Å; S53-K57 WeakPolarHBondContact O-CG 3.31Å; S53-K57 PolarHBondContact O-N 3.3Å; G54-K57 PolarHBondContact O-N 3.31Å; K57-C60 PolarHBondContact O-N 3.49Å; K57-N61 WeakPolarHBondContact O-CB 3.45Å; K57-N61 PolarHBondContact O-N 3.14Å; K57-N61 PolarHBondContact O-OD1 3.43Å
58	R	97.5	Very high	97	Very high	58 Å²	58	59.4 Å²	59.4	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-43.3	177.7	-169.1	176.7	-177.9	-161.2	-1.6	112.1	G54 L55 I56 C60 N61 L62 S83 L86 D87 E90	G54-R58 WeakPolarHBondContact O-CB 3.18Å; G54-R58 PolarHBondContact O-N 2.86Å; L55-R58 WeakPolarHBondContact O-CB 3.37Å; L55-R58 PolarHBondContact O-N 3.32Å; I56-R58 VanDerWaalsContact C-N 3.26Å; I56-R58 PolarHBondContact O-N 3.08Å; R58-C60 VanDerWaalsContact C-N 3.34Å; R58-C60 PolarHBondContact O-N 3.27Å; R58-N61 PolarHBondContact O-N 3.35Å; R58-L62 HydrophobicContact CG-CD1 4Å; R58-L62 HydrophobicContact CG-CG 4.46Å; R58-L62 WeakPolarHBondContact O-CB 3.24Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.27Å; R58-S83 PolarHBondContact NH1-O 3.38Å; R58-L86 HydrophobicContact CB-CD1 4.33Å; R58-L86 HydrophobicContact CG-CD1 4.06Å; R58-D87 IonicContact CZ-OD1 3.02Å; R58-D87 IonicContact NH1-OD1 3.92Å; R58-D87 PolarHBondContact NH1-OD1 3.06Å; R58-D87 IonicContact NH2-OD1 3.2Å; R58-D87 PolarHBondContact NH2-OD1 2.93Å; R58-E90 IonicContact CZ-OE2 3.44Å; R58-E90 IonicContact NE-OE2 3.25Å; R58-E90 IonicContact NH2-OE2 3.69Å; R58-E90 PolarHBondContact NH2-OE2 2.94Å
59	I	97.6	Very high	97.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-47.7	173.9	-67.1	166.4	0	0	0	110.3	L55 I56 N61 L62 T63 L71 L82 L86 F126	L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.07Å; I56-I59 PolarHBondContact O-N 2.56Å; I59-N61 PolarHBondContact O-N 3.19Å; I59-L62 PolarHBondContact O-N 2.91Å; I59-T63 HydrophobicContact CG2-CG2 4.46Å; I59-T63 WeakPolarHBondContact O-CB 3.17Å; I59-T63 WeakPolarHBondContact O-CG2 3.29Å; I59-T63 PolarHBondContact O-N 2.95Å; I59-T63 PolarHBondContact O-OG1 2.96Å; I59-L71 HydrophobicContact CD1-CD1 4.12Å; I59-L82 HydrophobicContact CD1-CD2 4.43Å; I59-L86 HydrophobicContact CG1-CD1 4.04Å; I59-L86 HydrophobicContact CG1-CD2 4.13Å; I59-F126 HydrophobicContact CG2-CE2 4.27Å; I59-F126 HydrophobicContact CG2-CZ 4.13Å
60	C	97.4	Very high	97.1	Very high	29 Å²	29	54.3 Å²	54.3	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-45.7	178.4	-59	0	0	0	0	112.3	I56 K57 R58 L62 T63 S64 Q65 A67	I56-C60 PolarHBondContact O-N 2.91Å; I56-C60 VanDerWaalsContact O-N 3.13Å; I56-C60 PolarHBondContact O-SG 3.49Å; K57-C60 PolarHBondContact O-N 3.49Å; R58-C60 VanDerWaalsContact C-N 3.34Å; R58-C60 PolarHBondContact O-N 3.27Å; C60-L62 PolarHBondContact O-N 3.19Å; C60-T63 PolarHBondContact O-N 3.46Å; C60-S64 VanDerWaalsContact O-CA 3.31Å; C60-S64 WeakPolarHBondContact O-CA 3.45Å; C60-S64 PolarHBondContact O-N 3.41Å; C60-Q65 WeakPolarHBondContact CA-O 3.47Å; C60-A67 VanDerWaalsContact SG-CB 3.53Å; C60-A67 PolarHBondContact SG-N 3.05Å
61	N	97.5	Very high	97.1	Very high	131 Å²	131	49.4 Å²	49.4	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-64.7	-41.6	-177.9	-69.7	-11.2	0	0	0	111.9	K57 R58 I59	K57-N61 WeakPolarHBondContact O-CB 3.45Å; K57-N61 PolarHBondContact O-N 3.14Å; K57-N61 PolarHBondContact O-OD1 3.43Å; R58-N61 PolarHBondContact O-N 3.35Å; I59-N61 PolarHBondContact O-N 3.19Å
62	L	97.4	Very high	97.1	Very high	37 Å²	37	53.4 Å²	53.4	19%	0.194	30%	0.295	C	S	.	.	H	α-helix	trans	-72.2	-35.3	-179.2	-71.6	173.7	0	0	0	112.7	R58 I59 C60 L86 Y89 E90	R58-L62 HydrophobicContact CG-CD1 4Å; R58-L62 HydrophobicContact CG-CG 4.46Å; R58-L62 WeakPolarHBondContact O-CB 3.24Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.27Å; I59-L62 PolarHBondContact O-N 2.91Å; C60-L62 PolarHBondContact O-N 3.19Å; L62-L86 HydrophobicContact CD1-CB 3.81Å; L62-L86 HydrophobicContact CD1-CD2 4.03Å; L62-L86 HydrophobicContact CD1-CG 4.36Å; L62-Y89 HydrophobicContact CB-CD1 4.01Å; L62-Y89 HydrophobicContact CB-CE1 4.06Å; L62-Y89 HydrophobicContact CD1-CD1 4.43Å; L62-E90 HydrophobicContact CD2-CB 3.73Å; L62-E90 HydrophobicContact CD2-CG 3.84Å
63	T	96.4	Very high	97	Very high	12 Å²	12	51.2 Å²	51.2	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-94.9	-14.3	-175.2	60.3	0	0	0	0	113.6	I59 C60 Q65 A125 F126	I59-T63 HydrophobicContact CG2-CG2 4.46Å; I59-T63 WeakPolarHBondContact O-CB 3.17Å; I59-T63 WeakPolarHBondContact O-CG2 3.29Å; I59-T63 PolarHBondContact O-N 2.95Å; I59-T63 PolarHBondContact O-OG1 2.96Å; C60-T63 PolarHBondContact O-N 3.46Å; T63-Q65 PolarHBondContact O-N 3.45Å; T63-Q65 VanDerWaalsContact O-N 3.12Å; T63-Q65 PolarHBondContact OG1-N 2.94Å; T63-A125 VanDerWaalsContact CB-O 3.28Å; T63-A125 WeakPolarHBondContact CB-O 3.19Å; T63-A125 HydrophobicContact CG2-CB 3.8Å; T63-A125 WeakPolarHBondContact CG2-O 3.48Å; T63-F126 HydrophobicContact CG2-CD1 3.69Å; T63-F126 HydrophobicContact CG2-CD2 4.01Å; T63-F126 HydrophobicContact CG2-CE1 3.53Å; T63-F126 HydrophobicContact CG2-CE2 3.85Å; T63-F126 HydrophobicContact CG2-CG 3.92Å; T63-F126 HydrophobicContact CG2-CZ 3.61Å
64	S	96.4	Very high	97	Very high	108 Å²	108	49 Å²	49	76%	0.755	27%	0.27	S	S	*	.			trans	53.9	21.4	-167.4	-56.4	0	0	0	0	113.8	C60	C60-S64 VanDerWaalsContact O-CA 3.31Å; C60-S64 WeakPolarHBondContact O-CA 3.45Å; C60-S64 PolarHBondContact O-N 3.41Å
65	Q	96.1	Very high	97.1	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	25%	0.253	S	S	.	.	S	Bend	trans	-106.6	146.2	175.6	-64	-60.3	-28.7	0	0	110.4	C60 T63 Y121 A125	C60-Q65 WeakPolarHBondContact CA-O 3.47Å; T63-Q65 PolarHBondContact O-N 3.45Å; T63-Q65 VanDerWaalsContact O-N 3.12Å; T63-Q65 PolarHBondContact OG1-N 2.94Å; Q65-Y121 HydrophobicContact CB-CE2 4.41Å; Q65-A125 HydrophobicContact CB-CB 4.19Å; Q65-A125 HydrophobicContact CG-CB 3.86Å
66	P	96.3	Very high	97.1	Very high	94 Å²	94	46.8 Å²	46.8	61%	0.61	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-61.3	147.5	170.3	27.2	-33.4	0	0	0	110.4	H68 Y121	P66-H68 PolarHBondContact O-N 3.48Å; P66-Y121 WeakPolarHBondContact O-CE2 3.21Å; P66-Y121 PolarHBondContact O-OH 3.12Å
67	A	96.6	Very high	97.1	Very high	9 Å²	9	46.2 Å²	46.2	7%	0.074	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.4	128.8	174.9	0	0	0	0	0	109.1	I56 C60 R72	I56-A67 HydrophobicContact CG2-CB 3.5Å; I56-A67 VanDerWaalsContact CG2-CB 3.5Å; C60-A67 VanDerWaalsContact SG-CB 3.53Å; C60-A67 PolarHBondContact SG-N 3.05Å; A67-R72 HydrophobicContact CB-CG 3.67Å; A67-R72 PolarHBondContact O-NH1 2.9Å
68	H	97.5	Very high	97.1	Very high	25 Å²	25	39.8 Å²	39.8	12%	0.116	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-57.3	143.5	174	-163.1	-90.2	0	0	0	111	P66 L70 L71 R72 F118 Y121	P66-H68 PolarHBondContact O-N 3.48Å; H68-L70 VanDerWaalsContact CE1-CD1 3.49Å; H68-L70 WeakPolarHBondContact CE1-CD1 3.37Å; H68-L70 VanDerWaalsContact CE1-CG 3.47Å; H68-L70 WeakPolarHBondContact CE1-CG 3.43Å; H68-L70 WeakPolarHBondContact ND1-CB 3.24Å; H68-L70 VanDerWaalsContact ND1-CG 3.32Å; H68-L70 WeakPolarHBondContact ND1-CG 3.22Å; H68-L70 PolarHBondContact ND1-N 3.11Å; H68-L70 PolarHBondContact O-N 3.4Å; H68-L70 VanDerWaalsContact O-N 3.11Å; H68-L71 WeakPolarHBondContact O-CA 3.42Å; H68-L71 WeakPolarHBondContact O-CB 3.34Å; H68-L71 PolarHBondContact O-N 3.13Å; H68-R72 PolarHBondContact O-N 3.37Å; H68-R72 VanDerWaalsContact O-N 3.12Å; H68-F118 HydrophobicContact CB-CD2 4.21Å; H68-F118 HydrophobicContact CB-CE2 4.05Å; H68-Y121 HydrophobicContact CB-CD1 3.67Å; H68-Y121 HydrophobicContact CB-CD2 3.96Å; H68-Y121 HydrophobicContact CB-CE1 3.67Å; H68-Y121 HydrophobicContact CB-CE2 3.95Å; H68-Y121 HydrophobicContact CB-CG 3.8Å; H68-Y121 AromaticContact CD2-CD2 3.72Å; H68-Y121 AromaticContact CD2-CG 3.57Å; H68-Y121 AromaticContact CG-CG 3.95Å; H68-Y121 PolarHBondContact N-OH 3.06Å
69	H	97.3	Very high	97.2	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.046	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-30.5	-177.5	68.7	93.6	0	0	0	112.5	L71 R72 R73 Y344	H69-L71 VanDerWaalsContact C-N 3.27Å; H69-L71 PolarHBondContact O-N 2.57Å; H69-R72 VanDerWaalsContact CB-NH2 3.33Å; H69-R72 PolarHBondContact O-N 3.44Å; H69-R73 VanDerWaalsContact O-CB 3.32Å; H69-R73 WeakPolarHBondContact O-CB 3.2Å; H69-R73 VanDerWaalsContact O-CG 3.28Å; H69-R73 WeakPolarHBondContact O-CG 3.48Å; H69-R73 PolarHBondContact O-N 3.38Å; H69-Y344 PolarHBondContact CE1-O 3.31Å; H69-Y344 VanDerWaalsContact CE1-O 3.29Å
70	L	97.8	Very high	97.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-27	172.9	-56.9	175.3	0	0	0	113.7	H68 I75 F76 I114 F118 Y344	H68-L70 VanDerWaalsContact CE1-CD1 3.49Å; H68-L70 WeakPolarHBondContact CE1-CD1 3.37Å; H68-L70 VanDerWaalsContact CE1-CG 3.47Å; H68-L70 WeakPolarHBondContact CE1-CG 3.43Å; H68-L70 WeakPolarHBondContact ND1-CB 3.24Å; H68-L70 VanDerWaalsContact ND1-CG 3.32Å; H68-L70 WeakPolarHBondContact ND1-CG 3.22Å; H68-L70 PolarHBondContact ND1-N 3.11Å; H68-L70 PolarHBondContact O-N 3.4Å; H68-L70 VanDerWaalsContact O-N 3.11Å; L70-I75 HydrophobicContact CB-CB 4.17Å; L70-I75 HydrophobicContact CB-CG2 4.27Å; L70-I75 HydrophobicContact CD2-CB 4.11Å; L70-I75 HydrophobicContact CD2-CD1 3.46Å; L70-I75 VanDerWaalsContact CD2-CD1 3.46Å; L70-I75 HydrophobicContact CD2-CG1 4.38Å; L70-I75 HydrophobicContact CD2-CG2 3.9Å; L70-I75 WeakPolarHBondContact O-CA 3.36Å; L70-I75 WeakPolarHBondContact O-CB 3.31Å; L70-I75 PolarHBondContact O-N 2.85Å; L70-F76 HydrophobicContact CB-CD2 3.99Å; L70-F76 HydrophobicContact CD1-CD2 4.42Å; L70-F76 HydrophobicContact CD1-CE2 4.23Å; L70-F76 PolarHBondContact O-N 3.24Å; L70-I114 HydrophobicContact CD1-CG2 4.15Å; L70-F118 HydrophobicContact CB-CD2 4.36Å; L70-F118 HydrophobicContact CD1-CB 4.02Å; L70-F118 HydrophobicContact CD1-CD2 4.38Å; L70-Y344 HydrophobicContact CD2-CD1 4.39Å
71	L	97.5	Very high	97.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-78.6	-49.5	168.8	-76.9	165.9	0	0	0	110.7	I51 I56 I59 H68 H69 R73 G74 F76 F118 Y121 I274	I51-L71 HydrophobicContact CD1-CD2 4.08Å; I51-L71 HydrophobicContact CG2-CD2 4.36Å; I56-L71 HydrophobicContact CD1-CB 4.49Å; I56-L71 HydrophobicContact CG1-CB 4.42Å; I59-L71 HydrophobicContact CD1-CD1 4.12Å; H68-L71 WeakPolarHBondContact O-CA 3.42Å; H68-L71 WeakPolarHBondContact O-CB 3.34Å; H68-L71 PolarHBondContact O-N 3.13Å; H69-L71 VanDerWaalsContact C-N 3.27Å; H69-L71 PolarHBondContact O-N 2.57Å; L71-R73 PolarHBondContact O-N 2.99Å; L71-R73 VanDerWaalsContact O-N 3.17Å; L71-G74 PolarHBondContact O-N 3.35Å; L71-G74 VanDerWaalsContact O-N 3.07Å; L71-F76 HydrophobicContact CD2-CB 4.05Å; L71-F118 HydrophobicContact CD1-CE2 3.8Å; L71-F118 HydrophobicContact CD1-CZ 3.86Å; L71-F118 HydrophobicContact CD2-CE2 4.31Å; L71-F118 HydrophobicContact CD2-CZ 3.87Å; L71-F118 HydrophobicContact CG-CE2 3.62Å; L71-F118 HydrophobicContact CG-CZ 3.68Å; L71-Y121 HydrophobicContact CD1-CE1 4.16Å; L71-I274 HydrophobicContact CD2-CD1 4.06Å
72	R	96.6	Very high	97.2	Very high	105 Å²	105	33.8 Å²	33.8	40%	0.396	18%	0.184	S	C	.	.	H	α-helix	trans	-57.9	-33.6	-176.2	-58.4	-167.4	-50.9	-98.1	3.5	112.6	A67 H68 H69 E347 D349	A67-R72 HydrophobicContact CB-CG 3.67Å; A67-R72 PolarHBondContact O-NH1 2.9Å; H68-R72 PolarHBondContact O-N 3.37Å; H68-R72 VanDerWaalsContact O-N 3.12Å; H69-R72 VanDerWaalsContact CB-NH2 3.33Å; H69-R72 PolarHBondContact O-N 3.44Å; R72-E347 PolarHBondContact NH2-O 3.49Å; R72-D349 IonicContact CZ-OD1 2.63Å; R72-D349 IonicContact CZ-OD2 3.15Å; R72-D349 IonicContact NE-OD1 3.94Å; R72-D349 IonicContact NE-OD2 2.74Å; R72-D349 PolarHBondContact NE-OD2 3.07Å; R72-D349 IonicContact NH2-OD1 2.68Å; R72-D349 PolarHBondContact NH2-OD1 3.45Å; R72-D349 IonicContact NH2-OD2 2.59Å; R72-D349 PolarHBondContact NH2-OD2 3.35Å
73	R	95.9	Very high	97.1	Very high	53 Å²	53	34 Å²	34	20%	0.2	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	9.4	-177.4	-60.3	173.1	-172.3	177.7	-2.3	113.9	H69 L71 I75 K343 L346 E347 D348 D349	H69-R73 VanDerWaalsContact O-CB 3.32Å; H69-R73 WeakPolarHBondContact O-CB 3.2Å; H69-R73 VanDerWaalsContact O-CG 3.28Å; H69-R73 WeakPolarHBondContact O-CG 3.48Å; H69-R73 PolarHBondContact O-N 3.38Å; L71-R73 PolarHBondContact O-N 2.99Å; L71-R73 VanDerWaalsContact O-N 3.17Å; R73-I75 HydrophobicContact CB-CD1 4.47Å; R73-I75 PolarHBondContact O-N 3.16Å; R73-K343 PolarHBondContact NH1-O 2.84Å; R73-L346 PolarHBondContact NH1-O 3.49Å; R73-L346 PolarHBondContact NH2-O 3.05Å; R73-E347 PolarHBondContact NH2-O 3.4Å; R73-D348 VanDerWaalsContact NH2-C 3.31Å; R73-D348 PolarHBondContact NH2-O 3.1Å; R73-D349 IonicContact CZ-OD1 2.79Å; R73-D349 IonicContact NE-OD1 2.86Å; R73-D349 PolarHBondContact NE-OD1 3.34Å; R73-D349 IonicContact NH2-OD1 3.38Å; R73-D349 PolarHBondContact NH2-OD1 3.45Å
74	G	96.5	Very high	97.1	Very high	37 Å²	37	35.9 Å²	35.9	38%	0.381	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	32.6	179.3	0	0	0	0	0	113.6	L71 F77	L71-G74 PolarHBondContact O-N 3.35Å; L71-G74 VanDerWaalsContact O-N 3.07Å; G74-F77 WeakPolarHBondContact O-CB 3.07Å
75	I	97.4	Very high	97.1	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.046	17%	0.165	C	C	.	.	S	Bend	trans	-79.9	-50.1	170.5	-73.2	161.9	0	0	0	108.7	L70 R73 I114 S276 T277 K343 Y344	L70-I75 HydrophobicContact CB-CB 4.17Å; L70-I75 HydrophobicContact CB-CG2 4.27Å; L70-I75 HydrophobicContact CD2-CB 4.11Å; L70-I75 HydrophobicContact CD2-CD1 3.46Å; L70-I75 VanDerWaalsContact CD2-CD1 3.46Å; L70-I75 HydrophobicContact CD2-CG1 4.38Å; L70-I75 HydrophobicContact CD2-CG2 3.9Å; L70-I75 WeakPolarHBondContact O-CA 3.36Å; L70-I75 WeakPolarHBondContact O-CB 3.31Å; L70-I75 PolarHBondContact O-N 2.85Å; R73-I75 HydrophobicContact CB-CD1 4.47Å; R73-I75 PolarHBondContact O-N 3.16Å; I75-I114 HydrophobicContact CG2-CG2 4.24Å; I75-S276 CarbonylContact O-C 3.42Å; I75-S276 WeakPolarHBondContact O-CA 3.48Å; I75-T277 PolarHBondContact O-N 3.29Å; I75-T277 PolarHBondContact O-OG1 3.5Å; I75-K343 WeakPolarHBondContact CD1-O 3.2Å; I75-Y344 HydrophobicContact CB-CE1 4.29Å; I75-Y344 HydrophobicContact CD1-CD1 3.69Å; I75-Y344 HydrophobicContact CD1-CE1 3.97Å; I75-Y344 HydrophobicContact CD1-CG 3.96Å; I75-Y344 HydrophobicContact CG1-CD1 4.16Å; I75-Y344 HydrophobicContact CG1-CE1 3.91Å; I75-Y344 HydrophobicContact CG2-CD1 3.83Å; I75-Y344 HydrophobicContact CG2-CE1 3.42Å; I75-Y344 VanDerWaalsContact CG2-CE1 3.42Å
76	F	98.3	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.2	157.2	-80.8	-89.8	0	0	0	107.6	I51 L70 L71 I114 F118 P247 I274 Y275	I51-F76 HydrophobicContact CD1-CB 4.43Å; L70-F76 HydrophobicContact CB-CD2 3.99Å; L70-F76 HydrophobicContact CD1-CD2 4.42Å; L70-F76 HydrophobicContact CD1-CE2 4.23Å; L70-F76 PolarHBondContact O-N 3.24Å; L71-F76 HydrophobicContact CD2-CB 4.05Å; F76-I114 HydrophobicContact CE2-CG2 4.29Å; F76-F118 HydrophobicContact CB-CE1 4.21Å; F76-F118 HydrophobicContact CB-CZ 4.22Å; F76-F118 AromaticContact CD1-CD1 3.7Å; F76-F118 HydrophobicContact CD1-CD1 3.7Å; F76-F118 AromaticContact CD1-CE1 3.64Å; F76-F118 HydrophobicContact CD1-CE1 3.64Å; F76-F118 HydrophobicContact CD1-CZ 4.47Å; F76-F118 HydrophobicContact CD2-CB 4.02Å; F76-F118 AromaticContact CD2-CD1 3.51Å; F76-F118 HydrophobicContact CD2-CD1 3.51Å; F76-F118 AromaticContact CD2-CD2 3.89Å; F76-F118 HydrophobicContact CD2-CD2 3.89Å; F76-F118 AromaticContact CD2-CE1 3.84Å; F76-F118 HydrophobicContact CD2-CE1 3.84Å; F76-F118 HydrophobicContact CD2-CE2 4.24Å; F76-F118 AromaticContact CD2-CG 3.51Å; F76-F118 HydrophobicContact CD2-CG 3.51Å; F76-F118 HydrophobicContact CD2-CZ 4.21Å; F76-F118 AromaticContact CE1-CD1 3.45Å; F76-F118 HydrophobicContact CE1-CD1 3.45Å; F76-F118 VanDerWaalsContact CE1-CD1 3.45Å; F76-F118 AromaticContact CE1-CE1 3.84Å; F76-F118 HydrophobicContact CE1-CE1 3.84Å; F76-F118 HydrophobicContact CE1-CG 4.29Å; F76-F118 HydrophobicContact CE2-CB 3.27Å; F76-F118 AromaticContact CE2-CD1 3.29Å; F76-F118 HydrophobicContact CE2-CD1 3.29Å; F76-F118 HydrophobicContact CE2-CD2 4.04Å; F76-F118 HydrophobicContact CE2-CE1 4.08Å; F76-F118 AromaticContact CE2-CG 3.24Å; F76-F118 HydrophobicContact CE2-CG 3.24Å; F76-F118 AromaticContact CG-CD1 3.7Å; F76-F118 HydrophobicContact CG-CD1 3.7Å; F76-F118 AromaticContact CG-CE1 3.6Å; F76-F118 HydrophobicContact CG-CE1 3.6Å; F76-F118 HydrophobicContact CG-CE2 4.49Å; F76-F118 HydrophobicContact CG-CG 4.15Å; F76-F118 HydrophobicContact CG-CZ 4.03Å; F76-F118 HydrophobicContact CZ-CB 3.65Å; F76-F118 AromaticContact CZ-CD1 3.23Å; F76-F118 HydrophobicContact CZ-CD1 3.23Å; F76-F118 HydrophobicContact CZ-CE1 4.06Å; F76-F118 AromaticContact CZ-CG 3.65Å; F76-F118 HydrophobicContact CZ-CG 3.65Å; F76-P247 HydrophobicContact CE1-CB 4.41Å; F76-I274 HydrophobicContact CB-CD1 4.45Å; F76-I274 HydrophobicContact CB-CG1 4.41Å; F76-I274 HydrophobicContact CD1-CD1 4.45Å; F76-I274 HydrophobicContact CD1-CG1 3.88Å; F76-I274 HydrophobicContact CD1-CG2 4.37Å; F76-I274 HydrophobicContact CE1-CG2 4.41Å; F76-Y275 CarbonylContact C-O 3.56Å; F76-Y275 VanDerWaalsContact CA-O 3.29Å; F76-Y275 WeakPolarHBondContact CA-O 3.18Å; F76-Y275 VanDerWaalsContact CD1-C 3.45Å
77	F	97.9	Very high	97.2	Very high	19 Å²	19	24.8 Å²	24.8	8%	0.083	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-19.8	-160.2	76.2	-79.2	0	0	0	113.9	Y39 V43 K50 I51 G74 I250 Y275 T277	Y39-F77 AromaticContact CD1-CE1 3.83Å; Y39-F77 HydrophobicContact CD1-CE1 3.83Å; Y39-F77 AromaticContact CD1-CE2 3.96Å; Y39-F77 HydrophobicContact CD1-CE2 3.96Å; Y39-F77 AromaticContact CD1-CZ 3.43Å; Y39-F77 HydrophobicContact CD1-CZ 3.43Å; Y39-F77 VanDerWaalsContact CD1-CZ 3.43Å; Y39-F77 HydrophobicContact CE1-CE1 4.32Å; Y39-F77 HydrophobicContact CE1-CZ 4.29Å; Y39-F77 HydrophobicContact CG-CE1 4.49Å; Y39-F77 HydrophobicContact CG-CE2 4.1Å; Y39-F77 HydrophobicContact CG-CZ 4.04Å; V43-F77 HydrophobicContact CG2-CD2 4.04Å; V43-F77 HydrophobicContact CG2-CE2 3.46Å; V43-F77 VanDerWaalsContact CG2-CE2 3.46Å; V43-F77 HydrophobicContact CG2-CZ 4.41Å; K50-F77 WeakPolarHBondContact CA-O 3.43Å; I51-F77 PolarHBondContact N-O 3.37Å; G74-F77 WeakPolarHBondContact O-CB 3.07Å; F77-I250 HydrophobicContact CE1-CB 4.4Å; F77-I250 HydrophobicContact CE1-CD1 4.25Å; F77-I250 HydrophobicContact CE1-CG2 4.49Å; F77-I250 HydrophobicContact CE2-CD1 4.35Å; F77-I250 HydrophobicContact CZ-CB 4.42Å; F77-I250 HydrophobicContact CZ-CD1 3.53Å; F77-I250 HydrophobicContact CZ-CG2 4.44Å; F77-Y275 WeakPolarHBondContact CD1-O 3.41Å; F77-Y275 PolarHBondContact N-O 3.05Å; F77-T277 HydrophobicContact CD1-CG2 3.61Å; F77-T277 HydrophobicContact CE1-CG2 3.94Å; F77-T277 HydrophobicContact CG-CG2 4.22Å
78	A	98	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.7	-177.5	0	0	0	0	0	111.6	V43 C48 E49 Y275	V43-A78 HydrophobicContact CG2-CB 3.75Å; C48-A78 HydrophobicContact CB-CB 4.37Å; E49-A78 CarbonylContact O-C 3.49Å; E49-A78 WeakPolarHBondContact O-CA 3.37Å; E49-A78 WeakPolarHBondContact O-CB 3.23Å; A78-Y275 HydrophobicContact CB-CD2 4.09Å; A78-Y275 PolarHBondContact O-N 2.99Å
79	H	98.4	Very high	97	Very high	7 Å²	7	28 Å²	28	3%	0.032	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	172.4	-179.7	71.9	83.3	0	0	0	112.6	E49 I51 L55 L82 M273	E49-H79 PolarHBondContact N-O 2.95Å; E49-H79 PolarHBondContact O-N 2.83Å; E49-H79 IonicContact OE2-CE1 3.42Å; E49-H79 PolarHBondContact OE2-CE1 3.01Å; E49-H79 IonicContact OE2-NE2 2.74Å; I51-H79 HydrophobicContact CG1-CB 4.25Å; L55-H79 VanDerWaalsContact CD2-CD2 3.48Å; L55-H79 WeakPolarHBondContact CD2-CD2 3.45Å; L55-H79 WeakPolarHBondContact CD2-NE2 3.34Å; H79-L82 HydrophobicContact CB-CB 3.77Å; H79-L82 HydrophobicContact CB-CD2 4.12Å; H79-M273 CarbonylContact C-O 3.55Å; H79-M273 WeakPolarHBondContact CA-O 3.17Å; H79-M273 VanDerWaalsContact CB-O 3.23Å; H79-M273 WeakPolarHBondContact CB-O 3.39Å
80	R	98	Very high	97	Very high	26 Å²	26	33.3 Å²	33.3	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.9	162.7	-71.9	175.6	-175	-69.5	3.2	108.5	F46 G47 C48 L82 D253 S272 M273 Y275	F46-R80 PolarHBondContact O-NH2 2.84Å; G47-R80 PolarHBondContact O-NH1 3.36Å; C48-R80 VanDerWaalsContact SG-CZ 3.52Å; C48-R80 PolarHBondContact SG-NH2 2.65Å; C48-R80 VanDerWaalsContact SG-NH2 3.43Å; R80-L82 PolarHBondContact O-N 3.2Å; R80-D253 IonicContact CZ-OD1 2.77Å; R80-D253 IonicContact CZ-OD2 3.19Å; R80-D253 IonicContact NE-OD1 3.94Å; R80-D253 PolarHBondContact NE-OD1 3.42Å; R80-D253 IonicContact NH2-OD1 2.65Å; R80-D253 PolarHBondContact NH2-OD1 3.13Å; R80-D253 VanDerWaalsContact NH2-OD1 3.15Å; R80-D253 IonicContact NH2-OD2 3.78Å; R80-D253 PolarHBondContact NH2-OD2 2.65Å; R80-S272 WeakPolarHBondContact O-CA 3.39Å; R80-S272 WeakPolarHBondContact O-CB 3.4Å; R80-M273 HydrophobicContact CB-SD 3.88Å; R80-M273 VanDerWaalsContact CD-CE 3.47Å; R80-M273 HydrophobicContact CG-SD 4.43Å; R80-M273 PolarHBondContact N-O 2.79Å; R80-M273 PolarHBondContact O-N 2.98Å; R80-Y275 WeakPolarHBondContact CD-OH 3.47Å; R80-Y275 HydrophobicContact CG-CE2 4.15Å; R80-Y275 PolarHBondContact NE-OH 3.12Å
81	E	96.4	Very high	96.9	Very high	59 Å²	59	40.2 Å²	40.2	28%	0.276	20%	0.198	S	C	.	.	S	Bend	trans	50.5	32.5	176.3	-68.4	176.5	-173.8	0	0	114.3	S83 C84 V85 R260 S272	E81-S83 VanDerWaalsContact C-N 3.3Å; E81-C84 HydrophobicContact CB-CB 4.22Å; E81-C84 WeakPolarHBondContact O-CB 3.32Å; E81-C84 PolarHBondContact O-N 3.39Å; E81-V85 PolarHBondContact O-N 3Å; E81-R260 VanDerWaalsContact CD-NH1 3.33Å; E81-R260 IonicContact OE1-CZ 2.72Å; E81-R260 IonicContact OE1-NH1 2.62Å; E81-R260 IonicContact OE1-NH2 2.74Å; E81-R260 PolarHBondContact OE1-NH2 2.84Å; E81-R260 IonicContact OE2-CZ 3.07Å; E81-R260 IonicContact OE2-NH1 3.66Å; E81-R260 PolarHBondContact OE2-NH1 3.12Å; E81-R260 IonicContact OE2-NH2 3.59Å; E81-R260 PolarHBondContact OE2-NH2 2.97Å; E81-S272 WeakPolarHBondContact O-CB 3.26Å; E81-S272 PolarHBondContact O-OG 2.79Å
82	L	97.5	Very high	96.8	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-39	173.3	176.7	55.1	0	0	0	110.6	L55 I59 H79 R80 C84 V85 L86 L245 I274	L55-L82 HydrophobicContact CD2-CB 4.32Å; L55-L82 HydrophobicContact CD2-CD2 3.66Å; L55-L82 HydrophobicContact CD2-CG 4.1Å; L55-L82 HydrophobicContact CG-CD2 4.23Å; I59-L82 HydrophobicContact CD1-CD2 4.43Å; H79-L82 HydrophobicContact CB-CB 3.77Å; H79-L82 HydrophobicContact CB-CD2 4.12Å; R80-L82 PolarHBondContact O-N 3.2Å; L82-C84 PolarHBondContact O-N 2.75Å; L82-V85 PolarHBondContact O-N 3.08Å; L82-V85 VanDerWaalsContact O-N 3.12Å; L82-L86 HydrophobicContact CD1-CG 4.47Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L245 HydrophobicContact CD1-CD1 4.03Å; L82-L245 HydrophobicContact CD1-CD2 4.12Å; L82-I274 HydrophobicContact CD2-CD1 3.83Å; L82-I274 HydrophobicContact CD2-CG1 4.31Å
83	S	96.5	Very high	96.7	Very high	40 Å²	40	43 Å²	43	28%	0.28	23%	0.234	S	C	.	.	H	α-helix	trans	-52.6	-40.9	172.5	48.6	0	0	0	0	112.6	R58 E81 L86 D87	R58-S83 PolarHBondContact NH1-O 3.38Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L86 PolarHBondContact O-N 2.77Å; S83-D87 PolarHBondContact O-N 3.44Å
84	C	95.6	Very high	96.7	Very high	53 Å²	53	42.6 Å²	42.6	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-41.7	177.8	-59.5	0	0	0	0	112.4	E81 L82 L86 D87 L88	E81-C84 HydrophobicContact CB-CB 4.22Å; E81-C84 WeakPolarHBondContact O-CB 3.32Å; E81-C84 PolarHBondContact O-N 3.39Å; L82-C84 PolarHBondContact O-N 2.75Å; C84-L86 VanDerWaalsContact C-N 3.32Å; C84-L86 PolarHBondContact O-N 3.48Å; C84-D87 WeakPolarHBondContact O-CB 3.44Å; C84-D87 PolarHBondContact O-N 3.48Å; C84-L88 WeakPolarHBondContact O-CD1 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.25Å; C84-L88 WeakPolarHBondContact O-CG 3.26Å; C84-L88 PolarHBondContact O-N 2.89Å; C84-L88 VanDerWaalsContact O-N 3.08Å
85	V	96.2	Very high	96.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-39.4	175.6	174.6	0	0	0	0	111	E81 L82 L88 Y89 F95 L245 S272	E81-V85 PolarHBondContact O-N 3Å; L82-V85 PolarHBondContact O-N 3.08Å; L82-V85 VanDerWaalsContact O-N 3.12Å; V85-L88 WeakPolarHBondContact O-CB 3.22Å; V85-L88 PolarHBondContact O-N 3.18Å; V85-Y89 PolarHBondContact O-N 2.89Å; V85-F95 HydrophobicContact CG1-CB 4.23Å; V85-F95 HydrophobicContact CG1-CD1 3.73Å; V85-F95 HydrophobicContact CG1-CD2 3.69Å; V85-F95 HydrophobicContact CG1-CE1 3.91Å; V85-F95 HydrophobicContact CG1-CE2 3.88Å; V85-F95 HydrophobicContact CG1-CG 3.62Å; V85-F95 HydrophobicContact CG1-CZ 3.98Å; V85-L245 HydrophobicContact CG1-CB 4.47Å; V85-L245 HydrophobicContact CG1-CD2 4.46Å; V85-L245 HydrophobicContact CG2-CB 4.45Å; V85-S272 WeakPolarHBondContact CG2-OG 3.29Å
86	L	97.5	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-39.6	175.4	-60.8	-178.8	0	0	0	111.9	L55 R58 I59 L62 L82 S83 C84 L88 Y89 E90 F126	L55-L86 HydrophobicContact CD1-CD1 3.48Å; L55-L86 VanDerWaalsContact CD1-CD1 3.48Å; L55-L86 HydrophobicContact CG-CD1 4.35Å; R58-L86 HydrophobicContact CB-CD1 4.33Å; R58-L86 HydrophobicContact CG-CD1 4.06Å; I59-L86 HydrophobicContact CG1-CD1 4.04Å; I59-L86 HydrophobicContact CG1-CD2 4.13Å; L62-L86 HydrophobicContact CD1-CB 3.81Å; L62-L86 HydrophobicContact CD1-CD2 4.03Å; L62-L86 HydrophobicContact CD1-CG 4.36Å; L82-L86 HydrophobicContact CD1-CG 4.47Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.93Å; S83-L86 PolarHBondContact O-N 2.77Å; C84-L86 VanDerWaalsContact C-N 3.32Å; C84-L86 PolarHBondContact O-N 3.48Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.85Å; L86-Y89 PolarHBondContact O-N 2.85Å; L86-E90 WeakPolarHBondContact O-CB 3.31Å; L86-E90 PolarHBondContact O-N 3.34Å; L86-F126 HydrophobicContact CD2-CE1 3.81Å; L86-F126 HydrophobicContact CD2-CZ 3.61Å
87	D	97.4	Very high	96.9	Very high	60 Å²	60	40.4 Å²	40.4	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-37.5	174.5	-63.8	-15.6	0	0	0	112	R58 S83 C84 K91	R58-D87 IonicContact CZ-OD1 3.02Å; R58-D87 IonicContact NH1-OD1 3.92Å; R58-D87 PolarHBondContact NH1-OD1 3.06Å; R58-D87 IonicContact NH2-OD1 3.2Å; R58-D87 PolarHBondContact NH2-OD1 2.93Å; S83-D87 PolarHBondContact O-N 3.44Å; C84-D87 WeakPolarHBondContact O-CB 3.44Å; C84-D87 PolarHBondContact O-N 3.48Å; D87-K91 WeakPolarHBondContact O-CD 3.34Å; D87-K91 VanDerWaalsContact O-CG 3.26Å; D87-K91 WeakPolarHBondContact O-CG 3.37Å; D87-K91 PolarHBondContact O-N 2.95Å
88	L	94.6	Very high	96.9	Very high	37 Å²	37	39.5 Å²	39.5	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-47.4	177.8	-69.4	160.4	0	0	0	110.9	C84 V85 L86 E90 K91 G92 Q93 P243	C84-L88 WeakPolarHBondContact O-CD1 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.25Å; C84-L88 WeakPolarHBondContact O-CG 3.26Å; C84-L88 PolarHBondContact O-N 2.89Å; C84-L88 VanDerWaalsContact O-N 3.08Å; V85-L88 WeakPolarHBondContact O-CB 3.22Å; V85-L88 PolarHBondContact O-N 3.18Å; L86-L88 VanDerWaalsContact C-N 3.28Å; L86-L88 PolarHBondContact O-N 2.85Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.18Å; L88-K91 CarbonylContact O-C 3.57Å; L88-K91 PolarHBondContact O-N 3.27Å; L88-K91 VanDerWaalsContact O-N 3.1Å; L88-G92 PolarHBondContact O-N 3.42Å; L88-Q93 HydrophobicContact CB-CB 4.22Å; L88-Q93 HydrophobicContact CD2-CB 4.27Å; L88-Q93 WeakPolarHBondContact O-CB 3.17Å; L88-Q93 PolarHBondContact O-N 3.04Å; L88-P243 HydrophobicContact CD1-CB 4.01Å; L88-P243 HydrophobicContact CD1-CG 3.56Å
89	Y	96.5	Very high	96.9	Very high	65 Å²	65	39.8 Å²	39.8	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-42.7	178.3	-176	-99.8	0	0	0	112	L62 V85 L86 K91 G92 F95 F126	L62-Y89 HydrophobicContact CB-CD1 4.01Å; L62-Y89 HydrophobicContact CB-CE1 4.06Å; L62-Y89 HydrophobicContact CD1-CD1 4.43Å; V85-Y89 PolarHBondContact O-N 2.89Å; L86-Y89 PolarHBondContact O-N 2.85Å; Y89-K91 PolarHBondContact O-N 3.47Å; Y89-G92 PolarHBondContact O-N 3.1Å; Y89-F95 HydrophobicContact CD2-CD1 4.29Å; Y89-F95 AromaticContact CD2-CE1 3.68Å; Y89-F95 HydrophobicContact CD2-CE1 3.68Å; Y89-F95 HydrophobicContact CG-CE1 4.17Å; Y89-F126 AromaticContact CD1-CD1 3.83Å; Y89-F126 HydrophobicContact CD1-CD1 3.83Å; Y89-F126 AromaticContact CD1-CE1 3.92Å; Y89-F126 HydrophobicContact CD1-CE1 3.92Å; Y89-F126 AromaticContact CD2-CD1 3.79Å; Y89-F126 HydrophobicContact CD2-CD1 3.79Å; Y89-F126 AromaticContact CE1-CD1 3.8Å; Y89-F126 HydrophobicContact CE1-CD1 3.8Å; Y89-F126 HydrophobicContact CE1-CE1 4.15Å; Y89-F126 HydrophobicContact CE2-CB 4.17Å; Y89-F126 AromaticContact CE2-CD1 3.75Å; Y89-F126 HydrophobicContact CE2-CD1 3.75Å; Y89-F126 HydrophobicContact CE2-CG 4.48Å; Y89-F126 WeakPolarHBondContact CE2-O 3.27Å; Y89-F126 AromaticContact CG-CD1 3.81Å; Y89-F126 HydrophobicContact CG-CD1 3.81Å; Y89-F126 HydrophobicContact CG-CE1 4.11Å; Y89-F126 AromaticContact CZ-CD1 3.75Å
90	E	96.6	Very high	96.9	Very high	121 Å²	121	40.8 Å²	40.8	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-59.6	-29.8	175.3	-173	169.4	-167.7	0	0	112.9	R58 L62 L86 L88 G92	R58-E90 IonicContact CZ-OE2 3.44Å; R58-E90 IonicContact NE-OE2 3.25Å; R58-E90 IonicContact NH2-OE2 3.69Å; R58-E90 PolarHBondContact NH2-OE2 2.94Å; L62-E90 HydrophobicContact CD2-CB 3.73Å; L62-E90 HydrophobicContact CD2-CG 3.84Å; L86-E90 WeakPolarHBondContact O-CB 3.31Å; L86-E90 PolarHBondContact O-N 3.34Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.18Å; E90-G92 VanDerWaalsContact C-N 3.3Å
91	K	96.4	Very high	96.9	Very high	147 Å²	147	40.7 Å²	40.7	64%	0.639	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	5.4	175.3	-66.5	167.8	-169	168	0	113.6	D87 L88 Y89 Q93	D87-K91 WeakPolarHBondContact O-CD 3.34Å; D87-K91 VanDerWaalsContact O-CG 3.26Å; D87-K91 WeakPolarHBondContact O-CG 3.37Å; D87-K91 PolarHBondContact O-N 2.95Å; L88-K91 CarbonylContact O-C 3.57Å; L88-K91 PolarHBondContact O-N 3.27Å; L88-K91 VanDerWaalsContact O-N 3.1Å; Y89-K91 PolarHBondContact O-N 3.47Å; K91-Q93 VanDerWaalsContact C-N 3.25Å; K91-Q93 HydrophobicContact CB-CG 4.23Å; K91-Q93 PolarHBondContact O-N 3.4Å
92	G	94.4	Very high	96.9	Very high	70 Å²	70	38.5 Å²	38.5	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	19.3	-175.7	0	0	0	0	0	114	L88 Y89 E90	L88-G92 PolarHBondContact O-N 3.42Å; Y89-G92 PolarHBondContact O-N 3.1Å; E90-G92 VanDerWaalsContact C-N 3.3Å
93	Q	94.7	Very high	96.6	Very high	95 Å²	95	38.3 Å²	38.3	44%	0.444	22%	0.22	S	C	.	.			trans	-87.2	141.4	176	-59.9	-171.9	17.3	0	0	110.4	L88 K91	L88-Q93 HydrophobicContact CB-CB 4.22Å; L88-Q93 HydrophobicContact CD2-CB 4.27Å; L88-Q93 WeakPolarHBondContact O-CB 3.17Å; L88-Q93 PolarHBondContact O-N 3.04Å; K91-Q93 VanDerWaalsContact C-N 3.25Å; K91-Q93 HydrophobicContact CB-CG 4.23Å; K91-Q93 PolarHBondContact O-N 3.4Å
94	P	96	Very high	96	Very high	45 Å²	45	38.5 Å²	38.5	29%	0.292	22%	0.221	S	C	.	.			trans	-75.1	154.4	-177	32.5	-35.8	0	0	0	111.2	V242 P243 Y409	P94-V242 HydrophobicContact CB-CG1 4.45Å; P94-V242 HydrophobicContact CG-CG1 4.47Å; P94-P243 VanDerWaalsContact O-CD 3.31Å; P94-P243 WeakPolarHBondContact O-CD 3.22Å; P94-Y409 HydrophobicContact CB-CE1 3.7Å; P94-Y409 HydrophobicContact CG-CD1 4.35Å; P94-Y409 HydrophobicContact CG-CE1 3.86Å
95	F	97.9	Very high	95.6	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.212	C	C	.	.			trans	-140.5	173.1	160	71.9	-86.2	0	0	0	108.1	V85 Y89 L97 F126 V128 P243 L245	V85-F95 HydrophobicContact CG1-CB 4.23Å; V85-F95 HydrophobicContact CG1-CD1 3.73Å; V85-F95 HydrophobicContact CG1-CD2 3.69Å; V85-F95 HydrophobicContact CG1-CE1 3.91Å; V85-F95 HydrophobicContact CG1-CE2 3.88Å; V85-F95 HydrophobicContact CG1-CG 3.62Å; V85-F95 HydrophobicContact CG1-CZ 3.98Å; Y89-F95 HydrophobicContact CD2-CD1 4.29Å; Y89-F95 AromaticContact CD2-CE1 3.68Å; Y89-F95 HydrophobicContact CD2-CE1 3.68Å; Y89-F95 HydrophobicContact CG-CE1 4.17Å; F95-L97 HydrophobicContact CE2-CD2 4.19Å; F95-F126 HydrophobicContact CE1-CB 4.18Å; F95-F126 AromaticContact CE1-CD1 3.92Å; F95-F126 HydrophobicContact CE1-CD1 3.92Å; F95-F126 HydrophobicContact CE1-CG 4.15Å; F95-F126 HydrophobicContact CZ-CB 3.73Å; F95-F126 AromaticContact CZ-CD1 3.82Å; F95-F126 HydrophobicContact CZ-CD1 3.82Å; F95-F126 HydrophobicContact CZ-CD2 4.14Å; F95-F126 HydrophobicContact CZ-CE1 4.46Å; F95-F126 AromaticContact CZ-CG 3.64Å; F95-F126 HydrophobicContact CZ-CG 3.64Å; F95-V128 HydrophobicContact CD1-CG1 4.01Å; F95-V128 HydrophobicContact CD2-CG1 4.37Å; F95-V128 HydrophobicContact CE1-CG1 3.7Å; F95-V128 HydrophobicContact CE2-CB 4.42Å; F95-V128 HydrophobicContact CE2-CG1 4.09Å; F95-V128 HydrophobicContact CE2-CG2 3.91Å; F95-V128 HydrophobicContact CG-CG1 4.34Å; F95-V128 HydrophobicContact CZ-CB 4.47Å; F95-V128 HydrophobicContact CZ-CG1 3.75Å; F95-V128 HydrophobicContact CZ-CG2 4.06Å; F95-P243 CarbonylContact C-O 3.58Å; F95-P243 VanDerWaalsContact CA-O 3.3Å; F95-P243 WeakPolarHBondContact CA-O 3.41Å; F95-P243 HydrophobicContact CB-CB 4.37Å; F95-P243 WeakPolarHBondContact CB-O 3.38Å; F95-L245 HydrophobicContact CD2-CB 4.11Å; F95-L245 HydrophobicContact CE2-CB 4.19Å; F95-L245 HydrophobicContact CE2-CD2 4.11Å
96	Y	98.7	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.6	173.7	75.1	-74	0	0	0	111.5	P129 V131 P226 C227 F228 S229 F236 V242 P243 C244 L245	Y96-P129 WeakPolarHBondContact CA-O 3.17Å; Y96-P129 WeakPolarHBondContact CB-O 3.37Å; Y96-V131 HydrophobicContact CD2-CG2 4.04Å; Y96-V131 HydrophobicContact CE2-CG2 3.81Å; Y96-P226 PolarHBondContact OH-O 3.46Å; Y96-C227 PolarHBondContact OH-O 3.23Å; Y96-F228 PolarHBondContact OH-N 2.71Å; Y96-S229 PolarHBondContact OH-N 3.45Å; Y96-F236 HydrophobicContact CD1-CE1 4.12Å; Y96-F236 HydrophobicContact CD1-CE2 4.42Å; Y96-F236 AromaticContact CD1-CZ 3.73Å; Y96-F236 HydrophobicContact CD1-CZ 3.73Å; Y96-F236 HydrophobicContact CD2-CE2 4.29Å; Y96-F236 AromaticContact CD2-CZ 3.67Å; Y96-F236 HydrophobicContact CD2-CZ 3.67Å; Y96-F236 HydrophobicContact CE1-CZ 4.26Å; Y96-F236 HydrophobicContact CE2-CE2 4.37Å; Y96-F236 HydrophobicContact CE2-CZ 4.18Å; Y96-F236 AromaticContact CG-CE1 3.97Å; Y96-F236 HydrophobicContact CG-CE1 3.97Å; Y96-F236 HydrophobicContact CG-CE2 4.31Å; Y96-F236 AromaticContact CG-CZ 3.41Å; Y96-F236 HydrophobicContact CG-CZ 3.41Å; Y96-F236 VanDerWaalsContact CG-CZ 3.41Å; Y96-V242 HydrophobicContact CD1-CG1 4.03Å; Y96-P243 WeakPolarHBondContact CD1-O 3.44Å; Y96-P243 PolarHBondContact N-O 2.89Å; Y96-C244 HydrophobicContact CD1-CB 4.22Å; Y96-C244 HydrophobicContact CE1-CB 3.48Å; Y96-C244 VanDerWaalsContact CE1-CB 3.48Å; Y96-C244 HydrophobicContact CE2-CB 4.3Å; Y96-C244 VanDerWaalsContact CZ-SG 3.59Å; Y96-C244 WeakPolarHBondContact O-CA 3.45Å; Y96-L245 PolarHBondContact O-N 2.83Å
97	L	98.9	Very high	94.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.9	174.2	-64.6	169.2	0	0	0	110.3	F95 T119 L122 Q123 V128 P129 L130 V131 L245 P247	F95-L97 HydrophobicContact CE2-CD2 4.19Å; L97-T119 HydrophobicContact CD1-CG2 4.28Å; L97-L122 HydrophobicContact CD1-CB 3.84Å; L97-L122 HydrophobicContact CD2-CB 4.25Å; L97-L122 HydrophobicContact CD2-CD1 4.21Å; L97-Q123 HydrophobicContact CD1-CB 4Å; L97-V128 HydrophobicContact CD1-CG2 3.72Å; L97-V128 HydrophobicContact CG-CG2 3.74Å; L97-P129 PolarHBondContact N-O 2.96Å; L97-L130 HydrophobicContact CB-CB 4.32Å; L97-L130 HydrophobicContact CB-CD1 3.55Å; L97-L130 WeakPolarHBondContact O-CA 3.45Å; L97-V131 PolarHBondContact O-N 3.25Å; L97-L245 WeakPolarHBondContact CA-O 3.29Å; L97-L245 HydrophobicContact CD2-CB 4.02Å; L97-L245 HydrophobicContact CD2-CD2 3.88Å; L97-L245 HydrophobicContact CD2-CG 4Å; L97-P247 HydrophobicContact CD2-CG 4.16Å
98	Y	98.9	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.6	168	163.8	-137.2	0	0	0	109.2	V131 Q133 E223 P226 C244 L245 I246 P247 F256	Y98-V131 WeakPolarHBondContact CA-O 3.47Å; Y98-V131 HydrophobicContact CD2-CG2 3.94Å; Y98-V131 HydrophobicContact CG-CG2 4.14Å; Y98-Q133 HydrophobicContact CE2-CB 3.78Å; Y98-Q133 PolarHBondContact OH-OE1 2.94Å; Y98-E223 PolarHBondContact OH-O 2.83Å; Y98-E223 PolarHBondContact OH-OE1 3.35Å; Y98-P226 HydrophobicContact CD1-CB 3.94Å; Y98-P226 HydrophobicContact CD2-CB 3.84Å; Y98-P226 HydrophobicContact CE1-CB 3.7Å; Y98-P226 HydrophobicContact CE1-CG 4.29Å; Y98-P226 HydrophobicContact CE2-CB 3.6Å; Y98-P226 HydrophobicContact CE2-CG 4.03Å; Y98-P226 HydrophobicContact CG-CB 4.04Å; Y98-C244 VanDerWaalsContact CB-SG 3.55Å; Y98-L245 PolarHBondContact N-O 3.36Å; Y98-I246 HydrophobicContact CD1-CD1 3.81Å; Y98-I246 HydrophobicContact CD1-CG1 3.92Å; Y98-I246 HydrophobicContact CD1-CG2 4.46Å; Y98-I246 HydrophobicContact CE1-CD1 4.24Å; Y98-I246 VanDerWaalsContact O-CA 3.3Å; Y98-I246 WeakPolarHBondContact O-CA 3.48Å; Y98-I246 WeakPolarHBondContact O-CG2 3.47Å; Y98-P247 VanDerWaalsContact O-CD 3.22Å; Y98-P247 WeakPolarHBondContact O-CD 3.28Å; Y98-F256 AromaticContact CE1-CE1 3.66Å; Y98-F256 HydrophobicContact CE1-CE1 3.66Å; Y98-F256 HydrophobicContact CE1-CZ 4.1Å
99	T	98.8	Very high	94.4	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	172.1	166.3	-163.9	0	0	0	0	109.4	F116 T119 L130 V131 I132 Q133 P247	T99-F116 HydrophobicContact CG2-CD1 4.07Å; T99-F116 HydrophobicContact CG2-CE1 3.68Å; T99-T119 HydrophobicContact CG2-CG2 4.14Å; T99-L130 HydrophobicContact CG2-CD1 4.41Å; T99-V131 PolarHBondContact N-O 2.92Å; T99-I132 HydrophobicContact CG2-CG1 4.28Å; T99-I132 HydrophobicContact CG2-CG2 4.43Å; T99-I132 VanDerWaalsContact O-CA 3.29Å; T99-I132 WeakPolarHBondContact O-CA 3.25Å; T99-Q133 PolarHBondContact O-N 3.3Å; T99-Q133 VanDerWaalsContact O-N 3.07Å; T99-P247 PolarHBondContact OG1-O 3.42Å
100	G	98.3	Very high	94.3	Very high	29 Å²	29	33.4 Å²	33.4	30%	0.299	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.8	-171.7	0	0	0	0	0	113.5	Q133	G100-Q133 CarbonylContact C-O 3.44Å; G100-Q133 VanDerWaalsContact CA-O 3.27Å; G100-Q133 WeakPolarHBondContact CA-O 3.3Å
101	R	97.7	Very high	94.1	Very high	24 Å²	24	28.3 Å²	28.3	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	117.9	173.4	167.6	60.9	-175.6	158.8	-0.2	110.1	P103 S104 H112 F116 Q133 L134 T135 N157 I161	R101-P103 VanDerWaalsContact O-CD 3.26Å; R101-P103 WeakPolarHBondContact O-CD 3.41Å; R101-S104 PolarHBondContact NH2-OG 2.85Å; R101-H112 PolarHBondContact NH1-CD2 3.27Å; R101-H112 PolarHBondContact NH1-CE1 3.22Å; R101-H112 PolarHBondContact NH1-NE2 3.01Å; R101-H112 PolarHBondContact NH2-CE1 2.9Å; R101-H112 PolarHBondContact NH2-ND1 3.31Å; R101-F116 HydrophobicContact CB-CE2 4.2Å; R101-F116 HydrophobicContact CB-CZ 3.87Å; R101-Q133 PolarHBondContact N-O 3.48Å; R101-L134 HydrophobicContact CB-CD1 3.98Å; R101-L134 HydrophobicContact CG-CD1 3.99Å; R101-L134 WeakPolarHBondContact O-CA 3.49Å; R101-T135 PolarHBondContact O-N 3.25Å; R101-N157 HydrophobicContact CG-CB 4.5Å; R101-N157 PolarHBondContact NE-OD1 2.85Å; R101-I161 HydrophobicContact CB-CD1 4.2Å; R101-I161 HydrophobicContact CG-CD1 4.44Å
102	G	96	Very high	94	Very high	12 Å²	12	22.9 Å²	22.9	12%	0.124	16%	0.16	C	C	.	.			trans	-81.2	109.5	165	0	0	0	0	0	112.4	S104 T135 K139	G102-S104 PolarHBondContact O-N 3.37Å; G102-T135 WeakPolarHBondContact CA-OG1 3.49Å; G102-K139 WeakPolarHBondContact O-CE 3.26Å
103	P	91.1	Very high	94	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.126	C	C	.	.			trans	-78	88.9	-170.8	33.1	-35.6	0	0	0	112.1	R101 D136 K139 M153 A154 N157	R101-P103 VanDerWaalsContact O-CD 3.26Å; R101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-D136 HydrophobicContact CG-CB 4.31Å; P103-K139 HydrophobicContact CG-CG 4.38Å; P103-M153 HydrophobicContact CB-CB 4.01Å; P103-A154 HydrophobicContact CG-CB 4.03Å; P103-N157 HydrophobicContact CB-CB 4.22Å
104	S	84.8	Confident	94.1	Very high	43 Å²	43	15.4 Å²	15.4	30%	0.301	11%	0.106	S	C	.	.			trans	-87.3	-10.2	-178.4	46.2	0	0	0	0	115.4	R101 G102	R101-S104 PolarHBondContact NH2-OG 2.85Å; G102-S104 PolarHBondContact O-N 3.37Å
105	S	86.4	Confident	94.1	Very high	23 Å²	23	14.4 Å²	14.4	16%	0.161	10%	0.099	C	C	.	.	S	Bend	trans	-151.7	158.8	-179.7	52.3	0	0	0	0	108.8	S107 N157	S105-S107 PolarHBondContact O-N 3.26Å; S105-S107 PolarHBondContact OG-O 3.3Å; S105-N157 PolarHBondContact O-ND2 3.13Å
106	S	83.5	Confident	94.2	Very high	76 Å²	76	14.5 Å²	14.5	53%	0.531	10%	0.1	S	C	.	.	S	Bend	trans	-65.8	-18.9	177.2	53.1	0	0	0	0	114.1	Q156	S106-Q156 VanDerWaalsContact O-CB 3.26Å; S106-Q156 WeakPolarHBondContact O-CB 3.29Å
107	S	88.4	Confident	94.1	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.042	11%	0.112	C	C	.	.	S	Bend	trans	-128.2	139.6	177.5	-178.4	0	0	0	0	111	S105 T301	S105-S107 PolarHBondContact O-N 3.26Å; S105-S107 PolarHBondContact OG-O 3.3Å; S107-T301 WeakPolarHBondContact CB-OG1 3.18Å; S107-T301 VanDerWaalsContact OG-CG2 3.28Å; S107-T301 WeakPolarHBondContact OG-CG2 3.33Å; S107-T301 PolarHBondContact OG-OG1 2.92Å
108	M	94.4	Very high	94.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.112	C	C	.	.			trans	-69.7	161.2	167.9	-74.4	167.2	61	0	0	112.1	H112 L113 F116 D160 I161 L300	M108-H112 HydrophobicContact CB-CB 4.1Å; M108-H112 HydrophobicContact CE-CB 3.48Å; M108-H112 VanDerWaalsContact CE-CB 3.48Å; M108-H112 HydrophobicContact CG-CB 4.08Å; M108-L113 HydrophobicContact CE-CD2 4.2Å; M108-F116 HydrophobicContact CE-CD2 3.52Å; M108-F116 HydrophobicContact CE-CE2 3.69Å; M108-D160 HydrophobicContact CB-CB 4.37Å; M108-D160 HydrophobicContact CG-CB 4.13Å; M108-D160 PolarHBondContact N-OD2 2.81Å; M108-D160 HydrophobicContact SD-CB 3.43Å; M108-D160 WeakPolarHBondContact SD-CB 3.23Å; M108-I161 HydrophobicContact SD-CG1 4.02Å; M108-L300 HydrophobicContact CB-CD1 3.71Å; M108-L300 HydrophobicContact CB-CG 4.3Å; M108-L300 WeakPolarHBondContact O-CG 3.2Å; M108-L300 PolarHBondContact O-N 3.29Å
109	H	93.4	Very high	94.1	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.023	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-114.3	168	168.6	57.7	55	0	0	0	110.3	G111 H112 M289 I298 Y299	H109-G111 PolarHBondContact ND1-N 3.36Å; H109-G111 PolarHBondContact O-N 2.87Å; H109-H112 AromaticContact CD2-CE1 3.3Å; H109-H112 PolarHBondContact CD2-CE1 2.92Å; H109-H112 AromaticContact CD2-ND1 3.87Å; H109-H112 AromaticContact CD2-NE2 3.89Å; H109-H112 AromaticContact CE1-CD2 3.43Å; H109-H112 PolarHBondContact CE1-CD2 2.93Å; H109-H112 VanDerWaalsContact CE1-CD2 3.43Å; H109-H112 AromaticContact CE1-CE1 3.23Å; H109-H112 PolarHBondContact CE1-CE1 3.05Å; H109-H112 AromaticContact CE1-CG 3.74Å; H109-H112 AromaticContact CE1-ND1 3.66Å; H109-H112 AromaticContact CE1-NE2 3.11Å; H109-H112 PolarHBondContact CE1-NE2 3.07Å; H109-H112 AromaticContact CG-CE1 3.59Å; H109-H112 AromaticContact CG-ND1 3.68Å; H109-H112 PolarHBondContact N-ND1 3.06Å; H109-H112 AromaticContact ND1-CD2 3.89Å; H109-H112 AromaticContact ND1-CE1 3.53Å; H109-H112 AromaticContact ND1-CG 3.71Å; H109-H112 PolarHBondContact ND1-N 3.08Å; H109-H112 AromaticContact ND1-ND1 3.53Å; H109-H112 AromaticContact ND1-NE2 3.8Å; H109-H112 AromaticContact NE2-CD2 3.96Å; H109-H112 AromaticContact NE2-CE1 3.06Å; H109-H112 PolarHBondContact NE2-CE1 2.93Å; H109-H112 AromaticContact NE2-ND1 3.86Å; H109-H112 AromaticContact NE2-NE2 3.15Å; H109-H112 PolarHBondContact NE2-NE2 2.98Å; H109-H112 VanDerWaalsContact NE2-NE2 3.15Å; H109-H112 WeakPolarHBondContact O-CB 3.25Å; H109-H112 PolarHBondContact O-N 3.48Å; H109-M289 HydrophobicContact CB-SD 3.87Å; H109-M289 PolarHBondContact ND1-SD 2.85Å; H109-M289 VanDerWaalsContact ND1-SD 3.44Å; H109-I298 CarbonylContact C-O 3.5Å; H109-I298 VanDerWaalsContact CA-O 3.26Å; H109-I298 WeakPolarHBondContact CA-O 3.49Å; H109-I298 VanDerWaalsContact CB-O 3.23Å; H109-I298 WeakPolarHBondContact CB-O 3.36Å; H109-Y299 HydrophobicContact CB-CD1 4.06Å; H109-Y299 HydrophobicContact CB-CE1 4.4Å
110	L	94.1	Very high	94.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-48.6	-39.6	-177.1	-73.4	-176.9	0	0	0	113.8	H112 L113 I279 M289 I298 L300 F345 V377 V381	L110-H112 VanDerWaalsContact C-N 3.27Å; L110-H112 PolarHBondContact O-N 2.95Å; L110-L113 HydrophobicContact CD2-CD1 4.33Å; L110-L113 WeakPolarHBondContact O-CB 3.39Å; L110-L113 PolarHBondContact O-N 3.17Å; L110-I279 HydrophobicContact CB-CD1 4.47Å; L110-M289 HydrophobicContact CB-CE 4.37Å; L110-M289 HydrophobicContact CB-SD 4.33Å; L110-I298 HydrophobicContact CD1-CB 3.73Å; L110-I298 HydrophobicContact CD1-CD1 3.97Å; L110-I298 HydrophobicContact CD1-CG1 4.36Å; L110-I298 HydrophobicContact CD1-CG2 3.94Å; L110-I298 HydrophobicContact CG-CB 4.02Å; L110-I298 HydrophobicContact CG-CG2 4.16Å; L110-I298 PolarHBondContact N-O 2.83Å; L110-L300 HydrophobicContact CD2-CD2 4Å; L110-F345 HydrophobicContact CB-CE2 4.18Å; L110-F345 HydrophobicContact CB-CZ 3.75Å; L110-F345 HydrophobicContact CD1-CE2 4.02Å; L110-F345 HydrophobicContact CD1-CZ 4.29Å; L110-F345 HydrophobicContact CD2-CE1 4.48Å; L110-F345 HydrophobicContact CD2-CZ 4.17Å; L110-F345 HydrophobicContact CG-CZ 4.3Å; L110-V377 HydrophobicContact CD1-CG1 3.7Å; L110-V377 HydrophobicContact CD1-CG2 4.01Å; L110-V377 HydrophobicContact CD2-CG1 4.4Å; L110-V381 HydrophobicContact CD2-CG2 4.21Å
111	G	93.1	Very high	94.1	Very high	13 Å²	13	18.1 Å²	18.1	13%	0.134	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-32.1	176.7	0	0	0	0	0	115.8	H109 L113 I114	H109-G111 PolarHBondContact ND1-N 3.36Å; H109-G111 PolarHBondContact O-N 2.87Å; G111-L113 VanDerWaalsContact C-N 3.25Å; G111-L113 PolarHBondContact O-N 3.36Å; G111-I114 PolarHBondContact O-N 2.85Å
112	H	94.2	Very high	94.1	Very high	33 Å²	33	17.1 Å²	17.1	15%	0.153	11%	0.105	C	C	.	.	H	α-helix	trans	-72.6	-22.5	177.1	-55.9	139.3	0	0	0	111.8	R101 M108 H109 L110 I114 P115 F116	R101-H112 PolarHBondContact NH1-CD2 3.27Å; R101-H112 PolarHBondContact NH1-CE1 3.22Å; R101-H112 PolarHBondContact NH1-NE2 3.01Å; R101-H112 PolarHBondContact NH2-CE1 2.9Å; R101-H112 PolarHBondContact NH2-ND1 3.31Å; M108-H112 HydrophobicContact CB-CB 4.1Å; M108-H112 HydrophobicContact CE-CB 3.48Å; M108-H112 VanDerWaalsContact CE-CB 3.48Å; M108-H112 HydrophobicContact CG-CB 4.08Å; H109-H112 AromaticContact CD2-CE1 3.3Å; H109-H112 PolarHBondContact CD2-CE1 2.92Å; H109-H112 AromaticContact CD2-ND1 3.87Å; H109-H112 AromaticContact CD2-NE2 3.89Å; H109-H112 AromaticContact CE1-CD2 3.43Å; H109-H112 PolarHBondContact CE1-CD2 2.93Å; H109-H112 VanDerWaalsContact CE1-CD2 3.43Å; H109-H112 AromaticContact CE1-CE1 3.23Å; H109-H112 PolarHBondContact CE1-CE1 3.05Å; H109-H112 AromaticContact CE1-CG 3.74Å; H109-H112 AromaticContact CE1-ND1 3.66Å; H109-H112 AromaticContact CE1-NE2 3.11Å; H109-H112 PolarHBondContact CE1-NE2 3.07Å; H109-H112 AromaticContact CG-CE1 3.59Å; H109-H112 AromaticContact CG-ND1 3.68Å; H109-H112 PolarHBondContact N-ND1 3.06Å; H109-H112 AromaticContact ND1-CD2 3.89Å; H109-H112 AromaticContact ND1-CE1 3.53Å; H109-H112 AromaticContact ND1-CG 3.71Å; H109-H112 PolarHBondContact ND1-N 3.08Å; H109-H112 AromaticContact ND1-ND1 3.53Å; H109-H112 AromaticContact ND1-NE2 3.8Å; H109-H112 AromaticContact NE2-CD2 3.96Å; H109-H112 AromaticContact NE2-CE1 3.06Å; H109-H112 PolarHBondContact NE2-CE1 2.93Å; H109-H112 AromaticContact NE2-ND1 3.86Å; H109-H112 AromaticContact NE2-NE2 3.15Å; H109-H112 PolarHBondContact NE2-NE2 2.98Å; H109-H112 VanDerWaalsContact NE2-NE2 3.15Å; H109-H112 WeakPolarHBondContact O-CB 3.25Å; H109-H112 PolarHBondContact O-N 3.48Å; L110-H112 VanDerWaalsContact C-N 3.27Å; L110-H112 PolarHBondContact O-N 2.95Å; H112-I114 VanDerWaalsContact C-N 3.31Å; H112-I114 PolarHBondContact O-N 2.77Å; H112-P115 WeakPolarHBondContact O-CD 3.31Å; H112-F116 WeakPolarHBondContact O-CD2 3.46Å
113	L	95.4	Very high	94.2	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-68.9	-28.5	178	-69.5	-176.5	0	0	0	112.6	M108 L110 G111 F116 I117 V164 L300 I380	M108-L113 HydrophobicContact CE-CD2 4.2Å; L110-L113 HydrophobicContact CD2-CD1 4.33Å; L110-L113 WeakPolarHBondContact O-CB 3.39Å; L110-L113 PolarHBondContact O-N 3.17Å; G111-L113 VanDerWaalsContact C-N 3.25Å; G111-L113 PolarHBondContact O-N 3.36Å; L113-F116 PolarHBondContact O-N 3.31Å; L113-F116 VanDerWaalsContact O-N 3.13Å; L113-I117 HydrophobicContact CB-CD1 3.86Å; L113-I117 HydrophobicContact CB-CG1 4.32Å; L113-I117 WeakPolarHBondContact O-CB 3.34Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.26Å; L113-V164 HydrophobicContact CD2-CG2 4.02Å; L113-L300 HydrophobicContact CD1-CD1 4.22Å; L113-L300 HydrophobicContact CD1-CD2 3.53Å; L113-L300 HydrophobicContact CD2-CD1 3.7Å; L113-L300 HydrophobicContact CG-CD1 3.97Å; L113-L300 HydrophobicContact CG-CD2 3.99Å; L113-I380 HydrophobicContact CD1-CG2 4.17Å
114	I	96.3	Very high	94.6	Very high	5 Å²	5	20 Å²	20	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-51.5	-172.1	-57.4	-53.9	0	0	0	112.7	L70 I75 F76 G111 H112 F116 F118 Y344 F345	L70-I114 HydrophobicContact CD1-CG2 4.15Å; I75-I114 HydrophobicContact CG2-CG2 4.24Å; F76-I114 HydrophobicContact CE2-CG2 4.29Å; G111-I114 PolarHBondContact O-N 2.85Å; H112-I114 VanDerWaalsContact C-N 3.31Å; H112-I114 PolarHBondContact O-N 2.77Å; I114-F116 VanDerWaalsContact C-N 3.33Å; I114-F116 PolarHBondContact O-N 3.39Å; I114-F118 WeakPolarHBondContact O-CB 3.44Å; I114-F118 PolarHBondContact O-N 3.28Å; I114-Y344 HydrophobicContact CD1-CD1 3.82Å; I114-Y344 HydrophobicContact CD1-CG 4.32Å; I114-Y344 HydrophobicContact CG1-CD1 3.92Å; I114-Y344 HydrophobicContact CG2-CD1 4.22Å; I114-Y344 HydrophobicContact CG2-CE1 4.42Å; I114-F345 HydrophobicContact CD1-CD1 4.34Å; I114-F345 HydrophobicContact CD1-CE1 3.57Å; I114-F345 HydrophobicContact CD1-CZ 3.76Å
115	P	97	Very high	95.2	Very high	23 Å²	23	18.3 Å²	18.3	15%	0.149	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-37.5	175.1	-23.5	35.5	0	0	0	113.2	H112 T119	H112-P115 WeakPolarHBondContact O-CD 3.31Å; P115-T119 VanDerWaalsContact O-CB 3.27Å; P115-T119 WeakPolarHBondContact O-CB 3.36Å; P115-T119 PolarHBondContact O-N 3.25Å; P115-T119 PolarHBondContact O-OG1 3.07Å
116	F	98.4	Very high	95.7	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-73.5	-41.7	-177.9	-72.1	-65.8	0	0	0	113.5	T99 R101 M108 H112 L113 I114 F118 T119 K120 I132 I161 V164 F166	T99-F116 HydrophobicContact CG2-CD1 4.07Å; T99-F116 HydrophobicContact CG2-CE1 3.68Å; R101-F116 HydrophobicContact CB-CE2 4.2Å; R101-F116 HydrophobicContact CB-CZ 3.87Å; M108-F116 HydrophobicContact CE-CD2 3.52Å; M108-F116 HydrophobicContact CE-CE2 3.69Å; H112-F116 WeakPolarHBondContact O-CD2 3.46Å; L113-F116 PolarHBondContact O-N 3.31Å; L113-F116 VanDerWaalsContact O-N 3.13Å; I114-F116 VanDerWaalsContact C-N 3.33Å; I114-F116 PolarHBondContact O-N 3.39Å; F116-F118 VanDerWaalsContact C-N 3.28Å; F116-F118 PolarHBondContact O-N 2.99Å; F116-T119 PolarHBondContact O-N 2.74Å; F116-K120 WeakPolarHBondContact O-CB 3.48Å; F116-K120 PolarHBondContact O-N 2.82Å; F116-I132 HydrophobicContact CD1-CD1 4.42Å; F116-I132 HydrophobicContact CE1-CD1 4.1Å; F116-I132 HydrophobicContact CE1-CG2 3.79Å; F116-I132 HydrophobicContact CZ-CG2 4.23Å; F116-I161 HydrophobicContact CD1-CG1 4.47Å; F116-I161 HydrophobicContact CD1-CG2 4.14Å; F116-I161 HydrophobicContact CD2-CG1 4.4Å; F116-I161 HydrophobicContact CE1-CD1 4.13Å; F116-I161 HydrophobicContact CE1-CG1 3.98Å; F116-I161 HydrophobicContact CE1-CG2 3.96Å; F116-I161 HydrophobicContact CE2-CD1 4.26Å; F116-I161 HydrophobicContact CE2-CG1 3.91Å; F116-I161 HydrophobicContact CZ-CD1 3.69Å; F116-I161 HydrophobicContact CZ-CG1 3.69Å; F116-V164 HydrophobicContact CB-CG1 4.24Å; F116-V164 HydrophobicContact CB-CG2 3.96Å; F116-F166 HydrophobicContact CB-CE2 4.26Å; F116-F166 HydrophobicContact CB-CZ 4.42Å; F116-F166 AromaticContact CD1-CE2 3.96Å; F116-F166 HydrophobicContact CD1-CE2 3.96Å; F116-F166 HydrophobicContact CD1-CZ 4.19Å; F116-F166 WeakPolarHBondContact O-CZ 3.38Å
117	I	97.8	Very high	96.4	Very high	50 Å²	50	17.4 Å²	17.4	26%	0.256	9%	0.093	S	C	.	.	H	α-helix	trans	-57.7	-47	174	-71.4	169.6	0	0	0	109.2	L113 K120 Y121	L113-I117 HydrophobicContact CB-CD1 3.86Å; L113-I117 HydrophobicContact CB-CG1 4.32Å; L113-I117 WeakPolarHBondContact O-CB 3.34Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.26Å; I117-K120 WeakPolarHBondContact O-CB 3.33Å; I117-K120 PolarHBondContact O-N 3.38Å; I117-Y121 PolarHBondContact O-N 3.17Å
118	F	98.4	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69	-38	179.4	-170	-113.6	0	0	0	113	H68 L70 L71 F76 I114 F116 K120 Y121 L122 P247 I274	H68-F118 HydrophobicContact CB-CD2 4.21Å; H68-F118 HydrophobicContact CB-CE2 4.05Å; L70-F118 HydrophobicContact CB-CD2 4.36Å; L70-F118 HydrophobicContact CD1-CB 4.02Å; L70-F118 HydrophobicContact CD1-CD2 4.38Å; L71-F118 HydrophobicContact CD1-CE2 3.8Å; L71-F118 HydrophobicContact CD1-CZ 3.86Å; L71-F118 HydrophobicContact CD2-CE2 4.31Å; L71-F118 HydrophobicContact CD2-CZ 3.87Å; L71-F118 HydrophobicContact CG-CE2 3.62Å; L71-F118 HydrophobicContact CG-CZ 3.68Å; F76-F118 HydrophobicContact CB-CE1 4.21Å; F76-F118 HydrophobicContact CB-CZ 4.22Å; F76-F118 AromaticContact CD1-CD1 3.7Å; F76-F118 HydrophobicContact CD1-CD1 3.7Å; F76-F118 AromaticContact CD1-CE1 3.64Å; F76-F118 HydrophobicContact CD1-CE1 3.64Å; F76-F118 HydrophobicContact CD1-CZ 4.47Å; F76-F118 HydrophobicContact CD2-CB 4.02Å; F76-F118 AromaticContact CD2-CD1 3.51Å; F76-F118 HydrophobicContact CD2-CD1 3.51Å; F76-F118 AromaticContact CD2-CD2 3.89Å; F76-F118 HydrophobicContact CD2-CD2 3.89Å; F76-F118 AromaticContact CD2-CE1 3.84Å; F76-F118 HydrophobicContact CD2-CE1 3.84Å; F76-F118 HydrophobicContact CD2-CE2 4.24Å; F76-F118 AromaticContact CD2-CG 3.51Å; F76-F118 HydrophobicContact CD2-CG 3.51Å; F76-F118 HydrophobicContact CD2-CZ 4.21Å; F76-F118 AromaticContact CE1-CD1 3.45Å; F76-F118 HydrophobicContact CE1-CD1 3.45Å; F76-F118 VanDerWaalsContact CE1-CD1 3.45Å; F76-F118 AromaticContact CE1-CE1 3.84Å; F76-F118 HydrophobicContact CE1-CE1 3.84Å; F76-F118 HydrophobicContact CE1-CG 4.29Å; F76-F118 HydrophobicContact CE2-CB 3.27Å; F76-F118 AromaticContact CE2-CD1 3.29Å; F76-F118 HydrophobicContact CE2-CD1 3.29Å; F76-F118 HydrophobicContact CE2-CD2 4.04Å; F76-F118 HydrophobicContact CE2-CE1 4.08Å; F76-F118 AromaticContact CE2-CG 3.24Å; F76-F118 HydrophobicContact CE2-CG 3.24Å; F76-F118 AromaticContact CG-CD1 3.7Å; F76-F118 HydrophobicContact CG-CD1 3.7Å; F76-F118 AromaticContact CG-CE1 3.6Å; F76-F118 HydrophobicContact CG-CE1 3.6Å; F76-F118 HydrophobicContact CG-CE2 4.49Å; F76-F118 HydrophobicContact CG-CG 4.15Å; F76-F118 HydrophobicContact CG-CZ 4.03Å; F76-F118 HydrophobicContact CZ-CB 3.65Å; F76-F118 AromaticContact CZ-CD1 3.23Å; F76-F118 HydrophobicContact CZ-CD1 3.23Å; F76-F118 HydrophobicContact CZ-CE1 4.06Å; F76-F118 AromaticContact CZ-CG 3.65Å; F76-F118 HydrophobicContact CZ-CG 3.65Å; I114-F118 WeakPolarHBondContact O-CB 3.44Å; I114-F118 PolarHBondContact O-N 3.28Å; F116-F118 VanDerWaalsContact C-N 3.28Å; F116-F118 PolarHBondContact O-N 2.99Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 2.95Å; F118-Y121 HydrophobicContact CD2-CD1 4.04Å; F118-Y121 AromaticContact CE2-CD1 3.76Å; F118-Y121 HydrophobicContact CE2-CD1 3.76Å; F118-Y121 HydrophobicContact CE2-CE1 4.12Å; F118-Y121 WeakPolarHBondContact O-CB 3.3Å; F118-Y121 PolarHBondContact O-N 3.48Å; F118-L122 HydrophobicContact CD1-CD1 3.89Å; F118-L122 HydrophobicContact CD1-CG 4.29Å; F118-L122 HydrophobicContact CE1-CD1 3.63Å; F118-L122 HydrophobicContact CE1-CD2 4.29Å; F118-L122 HydrophobicContact CE1-CG 4.01Å; F118-L122 HydrophobicContact CZ-CD1 4.29Å; F118-L122 HydrophobicContact CZ-CD2 4.13Å; F118-L122 HydrophobicContact CZ-CG 4.22Å; F118-L122 WeakPolarHBondContact O-CG 3.06Å; F118-L122 PolarHBondContact O-N 2.62Å; F118-P247 HydrophobicContact CD1-CB 4.37Å; F118-I274 HydrophobicContact CE1-CD1 3.62Å; F118-I274 HydrophobicContact CE1-CG1 4.25Å; F118-I274 HydrophobicContact CE1-CG2 4.05Å; F118-I274 HydrophobicContact CZ-CD1 3.78Å
119	T	98.8	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-37.6	174.1	-58.4	0	0	0	0	111.2	L97 T99 P115 F116 L122 Q123 L130 F166 P247	L97-T119 HydrophobicContact CD1-CG2 4.28Å; T99-T119 HydrophobicContact CG2-CG2 4.14Å; P115-T119 VanDerWaalsContact O-CB 3.27Å; P115-T119 WeakPolarHBondContact O-CB 3.36Å; P115-T119 PolarHBondContact O-N 3.25Å; P115-T119 PolarHBondContact O-OG1 3.07Å; F116-T119 PolarHBondContact O-N 2.74Å; T119-L122 PolarHBondContact O-N 3.3Å; T119-Q123 WeakPolarHBondContact O-CB 3.28Å; T119-Q123 PolarHBondContact O-N 3.44Å; T119-L130 HydrophobicContact CG2-CD1 3.56Å; T119-L130 HydrophobicContact CG2-CD2 3.71Å; T119-L130 HydrophobicContact CG2-CG 4.31Å; T119-F166 HydrophobicContact CG2-CE1 4.18Å; T119-F166 HydrophobicContact CG2-CZ 4.27Å; T119-P247 HydrophobicContact CG2-CG 4.36Å; T119-P247 WeakPolarHBondContact OG1-CB 3.25Å
120	K	98.6	Very high	97.3	Very high	33 Å²	33	17.3 Å²	17.3	14%	0.143	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-45.6	173.7	-179.2	55.7	165.4	78.6	0	111.5	F116 I117 F118 L122 Q123 D124 V164 G165 F166	F116-K120 WeakPolarHBondContact O-CB 3.48Å; F116-K120 PolarHBondContact O-N 2.82Å; I117-K120 WeakPolarHBondContact O-CB 3.33Å; I117-K120 PolarHBondContact O-N 3.38Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 2.95Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-L122 PolarHBondContact O-N 3.09Å; K120-Q123 PolarHBondContact O-N 3.09Å; K120-D124 IonicContact NZ-OD1 2.79Å; K120-D124 PolarHBondContact NZ-OD1 2.96Å; K120-D124 IonicContact NZ-OD2 3.15Å; K120-D124 PolarHBondContact NZ-OD2 3.17Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.1Å; K120-V164 HydrophobicContact CB-CG1 4.22Å; K120-G165 WeakPolarHBondContact CE-O 3.35Å; K120-F166 HydrophobicContact CB-CD1 4.31Å; K120-F166 HydrophobicContact CB-CE1 3.7Å; K120-F166 HydrophobicContact CB-CZ 3.93Å; K120-F166 HydrophobicContact CD-CD1 3.73Å; K120-F166 HydrophobicContact CD-CE1 3.98Å; K120-F166 HydrophobicContact CD-CG 4.33Å; K120-F166 HydrophobicContact CG-CE1 4.43Å
121	Y	98.2	Very high	97.5	Very high	27 Å²	27	17.3 Å²	17.3	11%	0.106	9%	0.093	C	C	.	.	H	α-helix	trans	-55.4	-47.8	172.1	164.5	-100.3	0	0	0	112	Q65 P66 H68 L71 I117 F118 Q123 D124 A125	Q65-Y121 HydrophobicContact CB-CE2 4.41Å; P66-Y121 WeakPolarHBondContact O-CE2 3.21Å; P66-Y121 PolarHBondContact O-OH 3.12Å; H68-Y121 HydrophobicContact CB-CD1 3.67Å; H68-Y121 HydrophobicContact CB-CD2 3.96Å; H68-Y121 HydrophobicContact CB-CE1 3.67Å; H68-Y121 HydrophobicContact CB-CE2 3.95Å; H68-Y121 HydrophobicContact CB-CG 3.8Å; H68-Y121 AromaticContact CD2-CD2 3.72Å; H68-Y121 AromaticContact CD2-CG 3.57Å; H68-Y121 AromaticContact CG-CG 3.95Å; H68-Y121 PolarHBondContact N-OH 3.06Å; L71-Y121 HydrophobicContact CD1-CE1 4.16Å; I117-Y121 PolarHBondContact O-N 3.17Å; F118-Y121 HydrophobicContact CD2-CD1 4.04Å; F118-Y121 AromaticContact CE2-CD1 3.76Å; F118-Y121 HydrophobicContact CE2-CD1 3.76Å; F118-Y121 HydrophobicContact CE2-CE1 4.12Å; F118-Y121 WeakPolarHBondContact O-CB 3.3Å; F118-Y121 PolarHBondContact O-N 3.48Å; Y121-Q123 PolarHBondContact O-N 3.03Å; Y121-D124 PolarHBondContact O-N 3.15Å; Y121-A125 HydrophobicContact CE2-CB 4.36Å; Y121-A125 WeakPolarHBondContact O-CB 3.22Å; Y121-A125 PolarHBondContact O-N 3.47Å
122	L	98.4	Very high	97.8	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-43.4	177.8	-69.1	173.9	0	0	0	111.9	L97 F118 T119 K120 D124 A125 F126 L245 P247 I274	L97-L122 HydrophobicContact CD1-CB 3.84Å; L97-L122 HydrophobicContact CD2-CB 4.25Å; L97-L122 HydrophobicContact CD2-CD1 4.21Å; F118-L122 HydrophobicContact CD1-CD1 3.89Å; F118-L122 HydrophobicContact CD1-CG 4.29Å; F118-L122 HydrophobicContact CE1-CD1 3.63Å; F118-L122 HydrophobicContact CE1-CD2 4.29Å; F118-L122 HydrophobicContact CE1-CG 4.01Å; F118-L122 HydrophobicContact CZ-CD1 4.29Å; F118-L122 HydrophobicContact CZ-CD2 4.13Å; F118-L122 HydrophobicContact CZ-CG 4.22Å; F118-L122 WeakPolarHBondContact O-CG 3.06Å; F118-L122 PolarHBondContact O-N 2.62Å; T119-L122 PolarHBondContact O-N 3.3Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-L122 PolarHBondContact O-N 3.09Å; L122-D124 VanDerWaalsContact C-N 3.32Å; L122-D124 PolarHBondContact O-N 3.39Å; L122-A125 PolarHBondContact O-N 3.22Å; L122-F126 HydrophobicContact CD2-CD2 4.14Å; L122-F126 HydrophobicContact CD2-CE2 3.77Å; L122-F126 WeakPolarHBondContact O-CB 3.37Å; L122-F126 WeakPolarHBondContact O-CD2 3.26Å; L122-F126 PolarHBondContact O-N 3.28Å; L122-L245 HydrophobicContact CD1-CD2 4.49Å; L122-P247 HydrophobicContact CD1-CB 4.19Å; L122-P247 HydrophobicContact CD1-CG 3.57Å; L122-I274 HydrophobicContact CD1-CG2 4.27Å
123	Q	98.5	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-43.3	177.4	179.8	178.5	73	0	0	111.3	L97 T119 K120 Y121 D127 L130 K170 T171	L97-Q123 HydrophobicContact CD1-CB 4Å; T119-Q123 WeakPolarHBondContact O-CB 3.28Å; T119-Q123 PolarHBondContact O-N 3.44Å; K120-Q123 PolarHBondContact O-N 3.09Å; Y121-Q123 PolarHBondContact O-N 3.03Å; Q123-D127 WeakPolarHBondContact O-CA 3.39Å; Q123-D127 PolarHBondContact O-N 3.1Å; Q123-L130 VanDerWaalsContact NE2-CB 3.28Å; Q123-K170 HydrophobicContact CG-CD 4.17Å; Q123-K170 PolarHBondContact NE2-O 2.98Å; Q123-T171 PolarHBondContact NE2-OG1 3.09Å
124	D	97.7	Very high	98.2	Very high	73 Å²	73	15 Å²	15	39%	0.39	8%	0.078	S	C	.	.	H	α-helix	trans	-69.8	-43.3	179.6	-67.4	-21.3	0	0	0	112.2	K120 Y121 L122	K120-D124 IonicContact NZ-OD1 2.79Å; K120-D124 PolarHBondContact NZ-OD1 2.96Å; K120-D124 IonicContact NZ-OD2 3.15Å; K120-D124 PolarHBondContact NZ-OD2 3.17Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.1Å; Y121-D124 PolarHBondContact O-N 3.15Å; L122-D124 VanDerWaalsContact C-N 3.32Å; L122-D124 PolarHBondContact O-N 3.39Å
125	A	97.6	Very high	98.3	Very high	7 Å²	7	14.8 Å²	14.8	6%	0.058	8%	0.077	C	C	.	.	H	α-helix	trans	-70.9	-37.5	-175.1	0	0	0	0	0	112.7	T63 Q65 Y121 L122	T63-A125 VanDerWaalsContact CB-O 3.28Å; T63-A125 WeakPolarHBondContact CB-O 3.19Å; T63-A125 HydrophobicContact CG2-CB 3.8Å; T63-A125 WeakPolarHBondContact CG2-O 3.48Å; Q65-A125 HydrophobicContact CB-CB 4.19Å; Q65-A125 HydrophobicContact CG-CB 3.86Å; Y121-A125 HydrophobicContact CE2-CB 4.36Å; Y121-A125 WeakPolarHBondContact O-CB 3.22Å; Y121-A125 PolarHBondContact O-N 3.47Å; L122-A125 PolarHBondContact O-N 3.22Å
126	F	97.7	Very high	98.3	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-98.8	-11.2	-179.5	-70.3	-80.3	0	0	0	114	I59 T63 L86 Y89 F95 L122 V128	I59-F126 HydrophobicContact CG2-CE2 4.27Å; I59-F126 HydrophobicContact CG2-CZ 4.13Å; T63-F126 HydrophobicContact CG2-CD1 3.69Å; T63-F126 HydrophobicContact CG2-CD2 4.01Å; T63-F126 HydrophobicContact CG2-CE1 3.53Å; T63-F126 HydrophobicContact CG2-CE2 3.85Å; T63-F126 HydrophobicContact CG2-CG 3.92Å; T63-F126 HydrophobicContact CG2-CZ 3.61Å; L86-F126 HydrophobicContact CD2-CE1 3.81Å; L86-F126 HydrophobicContact CD2-CZ 3.61Å; Y89-F126 AromaticContact CD1-CD1 3.83Å; Y89-F126 HydrophobicContact CD1-CD1 3.83Å; Y89-F126 AromaticContact CD1-CE1 3.92Å; Y89-F126 HydrophobicContact CD1-CE1 3.92Å; Y89-F126 AromaticContact CD2-CD1 3.79Å; Y89-F126 HydrophobicContact CD2-CD1 3.79Å; Y89-F126 AromaticContact CE1-CD1 3.8Å; Y89-F126 HydrophobicContact CE1-CD1 3.8Å; Y89-F126 HydrophobicContact CE1-CE1 4.15Å; Y89-F126 HydrophobicContact CE2-CB 4.17Å; Y89-F126 AromaticContact CE2-CD1 3.75Å; Y89-F126 HydrophobicContact CE2-CD1 3.75Å; Y89-F126 HydrophobicContact CE2-CG 4.48Å; Y89-F126 WeakPolarHBondContact CE2-O 3.27Å; Y89-F126 AromaticContact CG-CD1 3.81Å; Y89-F126 HydrophobicContact CG-CD1 3.81Å; Y89-F126 HydrophobicContact CG-CE1 4.11Å; Y89-F126 AromaticContact CZ-CD1 3.75Å; F95-F126 HydrophobicContact CE1-CB 4.18Å; F95-F126 AromaticContact CE1-CD1 3.92Å; F95-F126 HydrophobicContact CE1-CD1 3.92Å; F95-F126 HydrophobicContact CE1-CG 4.15Å; F95-F126 HydrophobicContact CZ-CB 3.73Å; F95-F126 AromaticContact CZ-CD1 3.82Å; F95-F126 HydrophobicContact CZ-CD1 3.82Å; F95-F126 HydrophobicContact CZ-CD2 4.14Å; F95-F126 HydrophobicContact CZ-CE1 4.46Å; F95-F126 AromaticContact CZ-CG 3.64Å; F95-F126 HydrophobicContact CZ-CG 3.64Å; L122-F126 HydrophobicContact CD2-CD2 4.14Å; L122-F126 HydrophobicContact CD2-CE2 3.77Å; L122-F126 WeakPolarHBondContact O-CB 3.37Å; L122-F126 WeakPolarHBondContact O-CD2 3.26Å; L122-F126 PolarHBondContact O-N 3.28Å; F126-V128 HydrophobicContact CB-CG1 4Å; F126-V128 HydrophobicContact CB-CG2 4.06Å
127	D	97.6	Very high	98.3	Very high	72 Å²	72	14.5 Å²	14.5	39%	0.385	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	58.3	-172	-166.6	36.3	0	0	0	113.1	Q123 K170 K406 Y407	Q123-D127 WeakPolarHBondContact O-CA 3.39Å; Q123-D127 PolarHBondContact O-N 3.1Å; D127-K170 WeakPolarHBondContact OD1-CE 3.26Å; D127-K170 IonicContact OD1-NZ 3.82Å; D127-K170 PolarHBondContact OD1-NZ 2.62Å; D127-K406 IonicContact OD1-NZ 3.96Å; D127-K406 PolarHBondContact OD1-NZ 3.44Å; D127-K406 IonicContact OD2-NZ 2.98Å; D127-Y407 VanDerWaalsContact C-OH 3.29Å; D127-Y407 WeakPolarHBondContact O-CE1 3.43Å; D127-Y407 PolarHBondContact O-OH 2.89Å; D127-Y407 PolarHBondContact OD1-OH 3.31Å
128	V	98	Very high	98.3	Very high	8 Å²	8	12.9 Å²	12.9	5%	0.048	7%	0.066	C	C	.	.			trans	-118.2	154.9	-176.9	-70.2	0	0	0	0	113	F95 L97 F126 Y407	F95-V128 HydrophobicContact CD1-CG1 4.01Å; F95-V128 HydrophobicContact CD2-CG1 4.37Å; F95-V128 HydrophobicContact CE1-CG1 3.7Å; F95-V128 HydrophobicContact CE2-CB 4.42Å; F95-V128 HydrophobicContact CE2-CG1 4.09Å; F95-V128 HydrophobicContact CE2-CG2 3.91Å; F95-V128 HydrophobicContact CG-CG1 4.34Å; F95-V128 HydrophobicContact CZ-CB 4.47Å; F95-V128 HydrophobicContact CZ-CG1 3.75Å; F95-V128 HydrophobicContact CZ-CG2 4.06Å; L97-V128 HydrophobicContact CD1-CG2 3.72Å; L97-V128 HydrophobicContact CG-CG2 3.74Å; F126-V128 HydrophobicContact CB-CG1 4Å; F126-V128 HydrophobicContact CB-CG2 4.06Å; V128-Y407 VanDerWaalsContact C-OH 3.27Å; V128-Y407 PolarHBondContact N-OH 3.49Å; V128-Y407 PolarHBondContact O-OH 2.87Å
129	P	98.5	Very high	98.2	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.013	7%	0.072	C	C	.	.			trans	-66.4	151	174.2	22.9	-28	0	0	0	112.1	Y96 L97 K170 I235 F236 L405 Y407 Y409	Y96-P129 WeakPolarHBondContact CA-O 3.17Å; Y96-P129 WeakPolarHBondContact CB-O 3.37Å; L97-P129 PolarHBondContact N-O 2.96Å; P129-K170 WeakPolarHBondContact CA-O 3.28Å; P129-I235 HydrophobicContact CB-CG2 4.49Å; P129-F236 HydrophobicContact CG-CE1 4.08Å; P129-L405 HydrophobicContact CB-CD1 3.56Å; P129-Y407 VanDerWaalsContact CA-CE2 3.49Å; P129-Y407 HydrophobicContact CB-CD2 3.63Å; P129-Y407 HydrophobicContact CB-CE2 3.64Å; P129-Y407 HydrophobicContact CG-CD2 3.81Å; P129-Y407 HydrophobicContact CG-CE2 4.05Å; P129-Y407 HydrophobicContact CG-CG 4.35Å; P129-Y407 VanDerWaalsContact N-CE2 3.31Å; P129-Y409 WeakPolarHBondContact CG-OH 3.35Å
130	L	98.9	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133	178	172.2	61.8	0	0	0	110.4	L97 T99 T119 Q123 I132 F166 K170 T171 F172	L97-L130 HydrophobicContact CB-CB 4.32Å; L97-L130 HydrophobicContact CB-CD1 3.55Å; L97-L130 WeakPolarHBondContact O-CA 3.45Å; T99-L130 HydrophobicContact CG2-CD1 4.41Å; T119-L130 HydrophobicContact CG2-CD1 3.56Å; T119-L130 HydrophobicContact CG2-CD2 3.71Å; T119-L130 HydrophobicContact CG2-CG 4.31Å; Q123-L130 VanDerWaalsContact NE2-CB 3.28Å; L130-I132 HydrophobicContact CD1-CG1 4.07Å; L130-I132 HydrophobicContact CD2-CD1 3.78Å; L130-I132 HydrophobicContact CD2-CG1 3.93Å; L130-I132 HydrophobicContact CG-CD1 4.19Å; L130-I132 HydrophobicContact CG-CG1 3.77Å; L130-F166 HydrophobicContact CD2-CD1 3.46Å; L130-F166 VanDerWaalsContact CD2-CD1 3.46Å; L130-F166 HydrophobicContact CD2-CE1 3.21Å; L130-F166 HydrophobicContact CD2-CG 4.3Å; L130-F166 HydrophobicContact CD2-CZ 3.87Å; L130-K170 PolarHBondContact N-O 3.26Å; L130-T171 HydrophobicContact CB-CG2 4.28Å; L130-T171 HydrophobicContact CD2-CG2 3.92Å; L130-T171 HydrophobicContact CG-CG2 4.09Å; L130-T171 WeakPolarHBondContact O-CA 3.43Å; L130-F172 PolarHBondContact O-N 3.18Å
131	V	98.9	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136	165.1	-59.4	0	0	0	0	110.2	Y96 L97 Y98 T99 F172 F174 F232 I235	Y96-V131 HydrophobicContact CD2-CG2 4.04Å; Y96-V131 HydrophobicContact CE2-CG2 3.81Å; L97-V131 PolarHBondContact O-N 3.25Å; Y98-V131 WeakPolarHBondContact CA-O 3.47Å; Y98-V131 HydrophobicContact CD2-CG2 3.94Å; Y98-V131 HydrophobicContact CG-CG2 4.14Å; T99-V131 PolarHBondContact N-O 2.92Å; V131-F172 CarbonylContact C-O 3.54Å; V131-F172 VanDerWaalsContact CA-O 3.29Å; V131-F172 WeakPolarHBondContact CA-O 3.44Å; V131-F172 HydrophobicContact CG1-CB 4.41Å; V131-F172 HydrophobicContact CG1-CD1 4.32Å; V131-F174 HydrophobicContact CB-CE1 4.32Å; V131-F232 HydrophobicContact CB-CE1 4.47Å; V131-F232 HydrophobicContact CB-CE2 4.31Å; V131-F232 HydrophobicContact CB-CZ 4.11Å; V131-F232 HydrophobicContact CG1-CD1 4.32Å; V131-F232 HydrophobicContact CG1-CD2 4.19Å; V131-F232 HydrophobicContact CG1-CE1 4.27Å; V131-F232 HydrophobicContact CG1-CE2 4.12Å; V131-F232 HydrophobicContact CG1-CG 4.28Å; V131-F232 HydrophobicContact CG1-CZ 4.17Å; V131-F232 HydrophobicContact CG2-CE2 3.87Å; V131-F232 HydrophobicContact CG2-CZ 3.99Å; V131-I235 HydrophobicContact CG1-CD1 3.75Å
132	I	98.9	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.7	179.2	-51.1	-179.5	0	0	0	109.6	T99 F116 L130 L134 I161 F166 T171 F172 I173 F174	T99-I132 HydrophobicContact CG2-CG1 4.28Å; T99-I132 HydrophobicContact CG2-CG2 4.43Å; T99-I132 VanDerWaalsContact O-CA 3.29Å; T99-I132 WeakPolarHBondContact O-CA 3.25Å; F116-I132 HydrophobicContact CD1-CD1 4.42Å; F116-I132 HydrophobicContact CE1-CD1 4.1Å; F116-I132 HydrophobicContact CE1-CG2 3.79Å; F116-I132 HydrophobicContact CZ-CG2 4.23Å; L130-I132 HydrophobicContact CD1-CG1 4.07Å; L130-I132 HydrophobicContact CD2-CD1 3.78Å; L130-I132 HydrophobicContact CD2-CG1 3.93Å; L130-I132 HydrophobicContact CG-CD1 4.19Å; L130-I132 HydrophobicContact CG-CG1 3.77Å; I132-L134 HydrophobicContact CG2-CD2 4.08Å; I132-I161 HydrophobicContact CD1-CG2 3.51Å; I132-I161 HydrophobicContact CG2-CD1 4.2Å; I132-F166 HydrophobicContact CD1-CD2 4.33Å; I132-F166 HydrophobicContact CD1-CE2 4.2Å; I132-T171 HydrophobicContact CD1-CG2 3.97Å; I132-T171 HydrophobicContact CG1-CG2 4.32Å; I132-F172 PolarHBondContact N-O 3.09Å; I132-I173 HydrophobicContact CB-CB 4.48Å; I132-I173 HydrophobicContact CB-CG1 4.16Å; I132-I173 HydrophobicContact CB-CG2 4.21Å; I132-I173 HydrophobicContact CD1-CD1 4.3Å; I132-I173 HydrophobicContact CD1-CG1 4.11Å; I132-I173 HydrophobicContact CG1-CG1 4.38Å; I132-I173 HydrophobicContact CG2-CG2 4.48Å; I132-I173 WeakPolarHBondContact O-CA 3.4Å; I132-F174 WeakPolarHBondContact O-CD1 3.42Å; I132-F174 PolarHBondContact O-N 3.07Å
133	Q	98.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.8	178.1	-174.2	179	18.5	0	0	111.5	Y98 T99 G100 R101 T135 F174 D176 V222	Y98-Q133 HydrophobicContact CE2-CB 3.78Å; Y98-Q133 PolarHBondContact OH-OE1 2.94Å; T99-Q133 PolarHBondContact O-N 3.3Å; T99-Q133 VanDerWaalsContact O-N 3.07Å; G100-Q133 CarbonylContact C-O 3.44Å; G100-Q133 VanDerWaalsContact CA-O 3.27Å; G100-Q133 WeakPolarHBondContact CA-O 3.3Å; R101-Q133 PolarHBondContact N-O 3.48Å; Q133-T135 HydrophobicContact CG-CG2 3.77Å; Q133-F174 HydrophobicContact CB-CE1 4.02Å; Q133-F174 HydrophobicContact CB-CE2 3.96Å; Q133-F174 HydrophobicContact CB-CZ 3.51Å; Q133-F174 HydrophobicContact CG-CD2 4.49Å; Q133-F174 HydrophobicContact CG-CE2 3.64Å; Q133-F174 HydrophobicContact CG-CZ 3.69Å; Q133-D176 VanDerWaalsContact NE2-CG 3.28Å; Q133-D176 PolarHBondContact NE2-OD1 3.1Å; Q133-D176 PolarHBondContact NE2-OD2 3.26Å; Q133-V222 PolarHBondContact NE2-O 2.91Å
134	L	98.7	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.4	170	-75.8	-68.5	0	0	0	108.3	R101 I132 D136 A154 N157 I158 I161 I173 F174 S175 D176	R101-L134 HydrophobicContact CB-CD1 3.98Å; R101-L134 HydrophobicContact CG-CD1 3.99Å; R101-L134 WeakPolarHBondContact O-CA 3.49Å; I132-L134 HydrophobicContact CG2-CD2 4.08Å; L134-D136 PolarHBondContact O-N 3.25Å; L134-A154 HydrophobicContact CB-CB 4.2Å; L134-N157 HydrophobicContact CD1-CB 4.11Å; L134-I158 HydrophobicContact CD1-CG1 4.44Å; L134-I158 HydrophobicContact CD2-CG1 4.06Å; L134-I158 HydrophobicContact CG-CD1 4.36Å; L134-I158 HydrophobicContact CG-CG1 3.87Å; L134-I161 HydrophobicContact CD1-CD1 3.91Å; L134-I161 HydrophobicContact CD2-CD1 4.1Å; L134-I173 HydrophobicContact CD2-CG2 3.33Å; L134-I173 HydrophobicContact CG-CG2 4.48Å; L134-F174 WeakPolarHBondContact CB-O 3.38Å; L134-F174 PolarHBondContact N-O 3.07Å; L134-S175 WeakPolarHBondContact O-CA 3.41Å; L134-D176 PolarHBondContact O-N 3.1Å; L134-D176 VanDerWaalsContact O-N 3.11Å
135	T	98.4	Very high	97.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	15%	0.154	C	C	.	.			trans	-84.2	61.8	-173	60.9	0	0	0	0	111.4	R101 G102 Q133 D137 E138 K139 D176 F219 E223	R101-T135 PolarHBondContact O-N 3.25Å; G102-T135 WeakPolarHBondContact CA-OG1 3.49Å; Q133-T135 HydrophobicContact CG-CG2 3.77Å; T135-D137 VanDerWaalsContact C-N 3.29Å; T135-E138 WeakPolarHBondContact O-CB 3.5Å; T135-E138 PolarHBondContact O-N 3.2Å; T135-E138 PolarHBondContact OG1-OE2 3.14Å; T135-K139 PolarHBondContact O-N 3.15Å; T135-K139 VanDerWaalsContact O-N 3.16Å; T135-D176 WeakPolarHBondContact CA-OD2 3.22Å; T135-D176 WeakPolarHBondContact CG2-OD2 3.5Å; T135-F219 HydrophobicContact CG2-CE2 4.36Å; T135-F219 HydrophobicContact CG2-CZ 3.86Å; T135-E223 VanDerWaalsContact CG2-OE2 3.28Å; T135-E223 WeakPolarHBondContact CG2-OE2 3.42Å
136	D	98	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-30.8	177.1	49	-0.3	0	0	0	112.9	P103 L134 K139 F140 A150 A154 S175 D176 F177	P103-D136 HydrophobicContact CG-CB 4.31Å; L134-D136 PolarHBondContact O-N 3.25Å; D136-K139 PolarHBondContact O-N 3.39Å; D136-F140 PolarHBondContact O-N 3.28Å; D136-A150 HydrophobicContact CB-CB 4.11Å; D136-A150 WeakPolarHBondContact O-CB 3.21Å; D136-A154 HydrophobicContact CB-CB 4.05Å; D136-S175 PolarHBondContact OD1-OG 2.86Å; D136-S175 WeakPolarHBondContact OD2-CB 3.18Å; D136-S175 PolarHBondContact OD2-OG 2.77Å; D136-D176 PolarHBondContact OD1-N 3.24Å; D136-F177 HydrophobicContact CB-CD2 3.91Å; D136-F177 HydrophobicContact CB-CE2 4.39Å; D136-F177 VanDerWaalsContact CG-CD2 3.46Å; D136-F177 WeakPolarHBondContact O-CE2 3.46Å; D136-F177 PolarHBondContact OD1-N 3.16Å
137	D	98.2	Very high	97.1	Very high	21 Å²	21	37.1 Å²	37.1	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-41.6	170.3	65.3	-16.3	0	0	0	112.7	T135 K139 F140 L141 D176 F177	T135-D137 VanDerWaalsContact C-N 3.29Å; D137-K139 VanDerWaalsContact C-N 3.33Å; D137-K139 PolarHBondContact O-N 3.3Å; D137-F140 PolarHBondContact O-N 2.8Å; D137-L141 WeakPolarHBondContact O-CB 3.32Å; D137-L141 VanDerWaalsContact O-CG 3.22Å; D137-L141 WeakPolarHBondContact O-CG 3.43Å; D137-L141 PolarHBondContact O-N 3.33Å; D137-D176 HydrophobicContact CB-CB 4.27Å; D137-D176 VanDerWaalsContact CG-CB 3.42Å; D137-D176 WeakPolarHBondContact OD1-CB 3.39Å; D137-F177 VanDerWaalsContact CA-CE2 3.48Å; D137-F177 HydrophobicContact CB-CD1 4.33Å; D137-F177 HydrophobicContact CB-CD2 4.35Å; D137-F177 HydrophobicContact CB-CE1 4.04Å; D137-F177 HydrophobicContact CB-CE2 4.06Å; D137-F177 HydrophobicContact CB-CG 4.47Å; D137-F177 HydrophobicContact CB-CZ 3.89Å
138	E	98	Very high	97.1	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-56.2	-48.8	170.2	-169.6	-151.6	155.6	0	0	110.4	T135 F140 L141 W142 F219	T135-E138 WeakPolarHBondContact O-CB 3.5Å; T135-E138 PolarHBondContact O-N 3.2Å; T135-E138 PolarHBondContact OG1-OE2 3.14Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 3.36Å; E138-L141 PolarHBondContact O-N 3.46Å; E138-L141 VanDerWaalsContact O-N 3.07Å; E138-W142 HydrophobicContact CB-CE3 4.46Å; E138-W142 HydrophobicContact CG-CD2 4.33Å; E138-W142 HydrophobicContact CG-CE3 3.63Å; E138-W142 HydrophobicContact CG-CZ3 3.75Å; E138-W142 VanDerWaalsContact O-CE3 3.25Å; E138-W142 PolarHBondContact O-N 3.37Å; E138-F219 HydrophobicContact CB-CD1 4.42Å; E138-F219 HydrophobicContact CB-CD2 4.05Å; E138-F219 HydrophobicContact CB-CE1 3.92Å; E138-F219 HydrophobicContact CB-CE2 3.51Å; E138-F219 HydrophobicContact CB-CG 4.49Å; E138-F219 HydrophobicContact CB-CZ 3.44Å; E138-F219 VanDerWaalsContact CB-CZ 3.44Å; E138-F219 HydrophobicContact CG-CD1 3.96Å; E138-F219 HydrophobicContact CG-CD2 4.45Å; E138-F219 HydrophobicContact CG-CE1 3.55Å; E138-F219 HydrophobicContact CG-CE2 4.1Å; E138-F219 HydrophobicContact CG-CG 4.4Å; E138-F219 HydrophobicContact CG-CZ 3.64Å
139	K	96.2	Very high	97	Very high	29 Å²	29	43.9 Å²	43.9	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-37.7	-176.8	-63.6	-49.7	-179.9	-127.5	0	111.9	G102 P103 T135 D136 D137 W142 K143 M145	G102-K139 WeakPolarHBondContact O-CE 3.26Å; P103-K139 HydrophobicContact CG-CG 4.38Å; T135-K139 PolarHBondContact O-N 3.15Å; T135-K139 VanDerWaalsContact O-N 3.16Å; D136-K139 PolarHBondContact O-N 3.39Å; D137-K139 VanDerWaalsContact C-N 3.33Å; D137-K139 PolarHBondContact O-N 3.3Å; K139-W142 PolarHBondContact O-N 2.88Å; K139-K143 VanDerWaalsContact O-CB 3.24Å; K139-K143 WeakPolarHBondContact O-CB 3.27Å; K139-K143 PolarHBondContact O-N 3.49Å; K139-M145 HydrophobicContact CB-SD 4.1Å
140	F	96.9	Very high	96.9	Very high	78 Å²	78	43.8 Å²	43.8	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-41.8	169.2	172.5	-102.6	0	0	0	112.9	D136 D137 E138 K143 M145 I147 A150 F177	D136-F140 PolarHBondContact O-N 3.28Å; D137-F140 PolarHBondContact O-N 2.8Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 3.36Å; F140-K143 VanDerWaalsContact O-O 3.08Å; F140-M145 VanDerWaalsContact CD2-O 3.23Å; F140-M145 WeakPolarHBondContact CD2-O 3.28Å; F140-M145 WeakPolarHBondContact CE2-O 3.45Å; F140-I147 HydrophobicContact CD2-CG1 3.89Å; F140-I147 HydrophobicContact CE2-CG1 3.79Å; F140-I147 HydrophobicContact CG-CG1 4.31Å; F140-I147 HydrophobicContact CZ-CG1 4.11Å; F140-A150 HydrophobicContact CB-CB 4.36Å; F140-F177 HydrophobicContact CB-CE2 3.94Å; F140-F177 HydrophobicContact CB-CZ 3.88Å; F140-F177 AromaticContact CD1-CZ 3.97Å; F140-F177 HydrophobicContact CD1-CZ 3.97Å; F140-F177 HydrophobicContact CG-CE2 4.45Å; F140-F177 AromaticContact CG-CZ 3.98Å; F140-F177 HydrophobicContact CG-CZ 3.98Å
141	L	97.2	Very high	96.8	Very high	49 Å²	49	46.9 Å²	46.9	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-71.4	-28.8	-179.3	-72.8	170.4	0	0	0	113.9	D137 E138 K216 F219	D137-L141 WeakPolarHBondContact O-CB 3.32Å; D137-L141 VanDerWaalsContact O-CG 3.22Å; D137-L141 WeakPolarHBondContact O-CG 3.43Å; D137-L141 PolarHBondContact O-N 3.33Å; E138-L141 PolarHBondContact O-N 3.46Å; E138-L141 VanDerWaalsContact O-N 3.07Å; L141-K216 HydrophobicContact CB-CG 4.32Å; L141-K216 WeakPolarHBondContact O-CE 3.48Å; L141-F219 HydrophobicContact CD1-CB 4.31Å
142	W	94.8	Very high	96.7	Very high	52 Å²	52	52.6 Å²	52.6	20%	0.197	26%	0.26	C	S	.	.	H	α-helix	trans	-102.1	-19.4	-176.7	-92	-100.2	0	0	0	115.2	W27 E138 K139 F208 K216 F219	W27-W142 AromaticContact CD1-NE1 3.99Å; W27-W142 AromaticContact CE2-CE2 3.99Å; W27-W142 AromaticContact CE2-NE1 3.57Å; W27-W142 AromaticContact CZ2-CE2 3.93Å; W27-W142 AromaticContact CZ2-CZ2 3.57Å; W27-W142 HydrophobicContact CZ2-CZ2 3.57Å; W27-W142 AromaticContact CZ2-NE1 3.88Å; W27-W142 AromaticContact NE1-CD1 3.72Å; W27-W142 AromaticContact NE1-CE2 3.69Å; W27-W142 AromaticContact NE1-NE1 3.22Å; E138-W142 HydrophobicContact CB-CE3 4.46Å; E138-W142 HydrophobicContact CG-CD2 4.33Å; E138-W142 HydrophobicContact CG-CE3 3.63Å; E138-W142 HydrophobicContact CG-CZ3 3.75Å; E138-W142 VanDerWaalsContact O-CE3 3.25Å; E138-W142 PolarHBondContact O-N 3.37Å; K139-W142 PolarHBondContact O-N 2.88Å; W142-F208 HydrophobicContact CH2-CZ 4.09Å; W142-F208 AromaticContact CZ2-CE1 3.67Å; W142-F208 HydrophobicContact CZ2-CE1 3.67Å; W142-F208 AromaticContact CZ2-CZ 3.63Å; W142-F208 HydrophobicContact CZ2-CZ 3.63Å; W142-K216 HydrophobicContact CD2-CD 4.22Å; W142-K216 HydrophobicContact CD2-CG 3.95Å; W142-K216 HydrophobicContact CE3-CG 3.9Å; W142-K216 HydrophobicContact CH2-CB 3.8Å; W142-K216 HydrophobicContact CH2-CG 3.93Å; W142-K216 HydrophobicContact CZ2-CB 3.92Å; W142-K216 HydrophobicContact CZ2-CD 4.3Å; W142-K216 HydrophobicContact CZ2-CG 3.92Å; W142-K216 HydrophobicContact CZ3-CB 4.19Å; W142-K216 HydrophobicContact CZ3-CG 3.91Å; W142-F219 HydrophobicContact CH2-CB 3.82Å; W142-F219 AromaticContact CH2-CD1 3.79Å; W142-F219 HydrophobicContact CH2-CD1 3.79Å; W142-F219 HydrophobicContact CH2-CG 4.02Å; W142-F219 HydrophobicContact CZ3-CB 3.77Å; W142-F219 AromaticContact CZ3-CD1 3.83Å; W142-F219 HydrophobicContact CZ3-CD1 3.83Å; W142-F219 AromaticContact CZ3-CG 3.77Å; W142-F219 HydrophobicContact CZ3-CG 3.77Å
143	K	92.4	Very high	96.6	Very high	117 Å²	117	54.6 Å²	54.6	51%	0.509	27%	0.271	S	S	.	.	S	Bend	trans	-121.9	149.1	-176.3	-58.9	-68.4	-176.5	175.9	0	110.1	K139 F140 M145	K139-K143 VanDerWaalsContact O-CB 3.24Å; K139-K143 WeakPolarHBondContact O-CB 3.27Å; K139-K143 PolarHBondContact O-N 3.49Å; F140-K143 VanDerWaalsContact O-O 3.08Å; K143-M145 HydrophobicContact CB-CE 3.94Å; K143-M145 HydrophobicContact CB-CG 4.21Å; K143-M145 HydrophobicContact CB-SD 4.39Å; K143-M145 HydrophobicContact CG-CE 4.45Å; K143-M145 PolarHBondContact O-N 2.89Å
144	D	92.7	Very high	96.5	Very high	177 Å²	177	54.7 Å²	54.7	95%	0.947	27%	0.271	S	S	*	.	S	Bend	trans	-74.5	93.3	169.9	-170.3	17.1	0	0	0	108.9
145	M	94.1	Very high	96.4	Very high	27 Å²	27	57.5 Å²	57.5	13%	0.133	28%	0.284	C	S	.	.			trans	-154.8	156.1	176.8	59.6	177.5	48.2	0	0	110.3	K139 F140 K143 E149 A150 M153	K139-M145 HydrophobicContact CB-SD 4.1Å; F140-M145 VanDerWaalsContact CD2-O 3.23Å; F140-M145 WeakPolarHBondContact CD2-O 3.28Å; F140-M145 WeakPolarHBondContact CE2-O 3.45Å; K143-M145 HydrophobicContact CB-CE 3.94Å; K143-M145 HydrophobicContact CB-CG 4.21Å; K143-M145 HydrophobicContact CB-SD 4.39Å; K143-M145 HydrophobicContact CG-CE 4.45Å; K143-M145 PolarHBondContact O-N 2.89Å; M145-E149 HydrophobicContact CB-CB 4.3Å; M145-A150 HydrophobicContact SD-CB 3.89Å; M145-M153 HydrophobicContact CE-CE 3.7Å; M145-M153 HydrophobicContact CE-SD 3.96Å
146	S	97	Very high	96.4	Very high	53 Å²	53	60 Å²	60	37%	0.371	30%	0.295	S	S	.	.			trans	-76.2	158.1	172.3	66.5	0	0	0	0	112	N148 E149 A150	S146-N148 PolarHBondContact O-N 2.92Å; S146-E149 WeakPolarHBondContact CB-OE2 3.29Å; S146-E149 PolarHBondContact N-OE2 2.92Å; S146-E149 PolarHBondContact O-N 3.49Å; S146-E149 VanDerWaalsContact O-N 3.14Å; S146-E149 WeakPolarHBondContact OG-CB 3.41Å; S146-E149 VanDerWaalsContact OG-CD 3.3Å; S146-E149 VanDerWaalsContact OG-CG 3.24Å; S146-E149 WeakPolarHBondContact OG-CG 3.29Å; S146-E149 PolarHBondContact OG-N 3.44Å; S146-E149 PolarHBondContact OG-OE2 3.17Å; S146-A150 PolarHBondContact O-N 3.04Å
147	I	96.7	Very high	96.4	Very high	76 Å²	76	60 Å²	60	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-55.7	-42.6	173.1	-64.5	174.2	0	0	0	110.6	F140 E149 A150 M151 F177	F140-I147 HydrophobicContact CD2-CG1 3.89Å; F140-I147 HydrophobicContact CE2-CG1 3.79Å; F140-I147 HydrophobicContact CG-CG1 4.31Å; F140-I147 HydrophobicContact CZ-CG1 4.11Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3Å; I147-A150 PolarHBondContact O-N 2.95Å; I147-M151 HydrophobicContact CG2-CG 4.26Å; I147-M151 HydrophobicContact CG2-SD 3.78Å; I147-M151 VanDerWaalsContact O-CG 3.31Å; I147-M151 WeakPolarHBondContact O-CG 3.4Å; I147-M151 PolarHBondContact O-N 3.1Å; I147-F177 HydrophobicContact CG1-CE1 4.49Å; I147-F177 HydrophobicContact CG1-CZ 4.06Å; I147-F177 HydrophobicContact CG2-CD1 4.49Å; I147-F177 HydrophobicContact CG2-CD2 4.21Å; I147-F177 HydrophobicContact CG2-CE1 4.38Å; I147-F177 HydrophobicContact CG2-CE2 4.09Å; I147-F177 HydrophobicContact CG2-CG 4.43Å; I147-F177 HydrophobicContact CG2-CZ 4.19Å
148	N	97	Very high	96.4	Very high	122 Å²	122	59.4 Å²	59.4	65%	0.652	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-41.1	178.6	-73.2	-22.4	0	0	0	111.9	S146 Q152	S146-N148 PolarHBondContact O-N 2.92Å; N148-Q152 WeakPolarHBondContact O-CB 3.27Å; N148-Q152 WeakPolarHBondContact O-CG 3.4Å; N148-Q152 PolarHBondContact O-N 3.24Å
149	E	96.5	Very high	96.4	Very high	100 Å²	100	59.9 Å²	59.9	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.7	-74.4	163.5	136.7	0	0	111.5	M145 S146 I147 M151 Q152 M153	M145-E149 HydrophobicContact CB-CB 4.3Å; S146-E149 WeakPolarHBondContact CB-OE2 3.29Å; S146-E149 PolarHBondContact N-OE2 2.92Å; S146-E149 PolarHBondContact O-N 3.49Å; S146-E149 VanDerWaalsContact O-N 3.14Å; S146-E149 WeakPolarHBondContact OG-CB 3.41Å; S146-E149 VanDerWaalsContact OG-CD 3.3Å; S146-E149 VanDerWaalsContact OG-CG 3.24Å; S146-E149 WeakPolarHBondContact OG-CG 3.29Å; S146-E149 PolarHBondContact OG-N 3.44Å; S146-E149 PolarHBondContact OG-OE2 3.17Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3Å; E149-M151 PolarHBondContact O-N 3.38Å; E149-Q152 PolarHBondContact O-N 3.31Å; E149-M153 WeakPolarHBondContact O-CG 3.47Å; E149-M153 PolarHBondContact O-N 3.18Å
150	A	97	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-47.2	177.7	0	0	0	0	0	112	D136 F140 M145 S146 I147 Q152 M153 A154 F177	D136-A150 HydrophobicContact CB-CB 4.11Å; D136-A150 WeakPolarHBondContact O-CB 3.21Å; F140-A150 HydrophobicContact CB-CB 4.36Å; M145-A150 HydrophobicContact SD-CB 3.89Å; S146-A150 PolarHBondContact O-N 3.04Å; I147-A150 PolarHBondContact O-N 2.95Å; A150-Q152 PolarHBondContact O-N 2.88Å; A150-M153 PolarHBondContact O-N 3.4Å; A150-A154 PolarHBondContact O-N 3.33Å; A150-F177 HydrophobicContact CB-CE2 4.28Å
151	M	96.4	Very high	96.6	Very high	65 Å²	65	54.8 Å²	54.8	32%	0.32	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-38.1	176.9	-68.1	176.6	74	0	0	112.4	I147 E149 A154 F155 F177	I147-M151 HydrophobicContact CG2-CG 4.26Å; I147-M151 HydrophobicContact CG2-SD 3.78Å; I147-M151 VanDerWaalsContact O-CG 3.31Å; I147-M151 WeakPolarHBondContact O-CG 3.4Å; I147-M151 PolarHBondContact O-N 3.1Å; E149-M151 PolarHBondContact O-N 3.38Å; M151-A154 PolarHBondContact O-N 3.03Å; M151-F155 PolarHBondContact O-N 3.17Å; M151-F177 HydrophobicContact CG-CB 4.17Å; M151-F177 HydrophobicContact CG-CD2 4Å; M151-F177 HydrophobicContact CG-CG 4.43Å; M151-F177 HydrophobicContact SD-CB 4.37Å
152	Q	96.6	Very high	96.6	Very high	120 Å²	120	53 Å²	53	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-67	-39.7	175.3	-74	-64	-28.1	0	0	112.1	N148 E149 A150 F155 Q156	N148-Q152 WeakPolarHBondContact O-CB 3.27Å; N148-Q152 WeakPolarHBondContact O-CG 3.4Å; N148-Q152 PolarHBondContact O-N 3.24Å; E149-Q152 PolarHBondContact O-N 3.31Å; A150-Q152 PolarHBondContact O-N 2.88Å; Q152-F155 PolarHBondContact O-N 2.88Å; Q152-Q156 WeakPolarHBondContact O-CG 3.31Å; Q152-Q156 PolarHBondContact O-N 2.79Å
153	M	96.1	Very high	96.8	Very high	43 Å²	43	50.6 Å²	50.6	21%	0.212	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-42.8	173.8	-68	-171.4	-161.5	0	0	111.4	P103 M145 E149 A150 F155 Q156 N157	P103-M153 HydrophobicContact CB-CB 4.01Å; M145-M153 HydrophobicContact CE-CE 3.7Å; M145-M153 HydrophobicContact CE-SD 3.96Å; E149-M153 WeakPolarHBondContact O-CG 3.47Å; E149-M153 PolarHBondContact O-N 3.18Å; A150-M153 PolarHBondContact O-N 3.4Å; M153-F155 PolarHBondContact O-N 3.24Å; M153-Q156 PolarHBondContact O-N 2.61Å; M153-N157 WeakPolarHBondContact O-CB 3.14Å; M153-N157 PolarHBondContact O-N 3.3Å; M153-N157 PolarHBondContact O-ND2 3.3Å
154	A	97.5	Very high	97.1	Very high	1 Å²	1	46 Å²	46	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-50.6	173.1	0	0	0	0	0	111.1	P103 L134 D136 A150 M151 Q156 N157 I158	P103-A154 HydrophobicContact CG-CB 4.03Å; L134-A154 HydrophobicContact CB-CB 4.2Å; D136-A154 HydrophobicContact CB-CB 4.05Å; A150-A154 PolarHBondContact O-N 3.33Å; M151-A154 PolarHBondContact O-N 3.03Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; A154-Q156 PolarHBondContact O-N 2.88Å; A154-N157 PolarHBondContact O-N 3.4Å; A154-N157 VanDerWaalsContact O-N 3.08Å; A154-I158 VanDerWaalsContact O-CG1 3.28Å; A154-I158 WeakPolarHBondContact O-CG1 3.5Å; A154-I158 PolarHBondContact O-N 3.42Å
155	F	97.4	Very high	97.3	Very high	60 Å²	60	39.1 Å²	39.1	26%	0.263	21%	0.206	S	C	.	.	H	α-helix	trans	-56	-43.4	178.4	-176.2	-100.7	0	0	0	113	M151 Q152 M153 I158 K159 D393 V396	M151-F155 PolarHBondContact O-N 3.17Å; Q152-F155 PolarHBondContact O-N 2.88Å; M153-F155 PolarHBondContact O-N 3.24Å; F155-I158 PolarHBondContact O-N 3.47Å; F155-K159 HydrophobicContact CE1-CD 4.49Å; F155-K159 PolarHBondContact O-N 3.09Å; F155-D393 WeakPolarHBondContact CZ-OD1 3.3Å; F155-V396 HydrophobicContact CD2-CG1 3.99Å; F155-V396 HydrophobicContact CE2-CB 4.11Å; F155-V396 HydrophobicContact CE2-CG1 3.66Å; F155-V396 HydrophobicContact CE2-CG2 4.25Å; F155-V396 HydrophobicContact CZ-CG2 4.41Å
156	Q	97.4	Very high	97.6	Very high	54 Å²	54	38.2 Å²	38.2	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-69.2	-35.6	176.6	-65.3	-59.8	-38.2	0	0	113.2	S106 Q152 M153 A154 I158 K159 D160 R388	S106-Q156 VanDerWaalsContact O-CB 3.26Å; S106-Q156 WeakPolarHBondContact O-CB 3.29Å; Q152-Q156 WeakPolarHBondContact O-CG 3.31Å; Q152-Q156 PolarHBondContact O-N 2.79Å; M153-Q156 PolarHBondContact O-N 2.61Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; A154-Q156 PolarHBondContact O-N 2.88Å; Q156-I158 VanDerWaalsContact C-N 3.35Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 2.94Å; Q156-D160 PolarHBondContact O-N 2.71Å; Q156-R388 PolarHBondContact O-NH2 2.97Å
157	N	98	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-32.2	176.6	-79.5	-126.8	0	0	0	110.9	R101 P103 S105 L134 M153 A154 K159 D160 I161	R101-N157 HydrophobicContact CG-CB 4.5Å; R101-N157 PolarHBondContact NE-OD1 2.85Å; P103-N157 HydrophobicContact CB-CB 4.22Å; S105-N157 PolarHBondContact O-ND2 3.13Å; L134-N157 HydrophobicContact CD1-CB 4.11Å; M153-N157 WeakPolarHBondContact O-CB 3.14Å; M153-N157 PolarHBondContact O-N 3.3Å; M153-N157 PolarHBondContact O-ND2 3.3Å; A154-N157 PolarHBondContact O-N 3.4Å; A154-N157 VanDerWaalsContact O-N 3.08Å; N157-K159 VanDerWaalsContact C-N 3.27Å; N157-K159 PolarHBondContact O-N 3.26Å; N157-D160 WeakPolarHBondContact O-CB 3.31Å; N157-D160 PolarHBondContact O-N 2.79Å; N157-I161 VanDerWaalsContact O-CG1 3.27Å; N157-I161 WeakPolarHBondContact O-CG1 3.48Å; N157-I161 PolarHBondContact O-N 3Å
158	I	98.3	Very high	97.6	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-40.4	172.5	-66.6	167.9	0	0	0	110.4	L134 A154 F155 Q156 D160 I161 I162 I173 V396 T400	L134-I158 HydrophobicContact CD1-CG1 4.44Å; L134-I158 HydrophobicContact CD2-CG1 4.06Å; L134-I158 HydrophobicContact CG-CD1 4.36Å; L134-I158 HydrophobicContact CG-CG1 3.87Å; A154-I158 VanDerWaalsContact O-CG1 3.28Å; A154-I158 WeakPolarHBondContact O-CG1 3.5Å; A154-I158 PolarHBondContact O-N 3.42Å; F155-I158 PolarHBondContact O-N 3.47Å; Q156-I158 VanDerWaalsContact C-N 3.35Å; I158-D160 VanDerWaalsContact C-N 3.35Å; I158-D160 PolarHBondContact O-N 2.93Å; I158-I161 PolarHBondContact O-N 3.2Å; I158-I162 HydrophobicContact CG2-CD1 3.68Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.47Å; I158-I173 HydrophobicContact CD1-CG2 4.26Å; I158-I173 HydrophobicContact CG1-CG2 3.8Å; I158-I173 HydrophobicContact CG2-CD1 4.24Å; I158-I173 HydrophobicContact CG2-CG2 4.21Å; I158-V396 HydrophobicContact CG2-CG1 3.85Å; I158-V396 HydrophobicContact CG2-CG2 4.43Å; I158-T400 HydrophobicContact CD1-CG2 3.93Å; I158-T400 HydrophobicContact CG2-CG2 4.37Å
159	K	98.3	Very high	97.7	Very high	26 Å²	26	36.6 Å²	36.6	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-41.2	175.2	-62.9	-170.8	177.8	-166.7	0	112.3	F155 Q156 N157 A163 R388 V391 D393 V396	F155-K159 HydrophobicContact CE1-CD 4.49Å; F155-K159 PolarHBondContact O-N 3.09Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 2.94Å; N157-K159 VanDerWaalsContact C-N 3.27Å; N157-K159 PolarHBondContact O-N 3.26Å; K159-A163 WeakPolarHBondContact O-CB 3.3Å; K159-A163 PolarHBondContact O-N 3.41Å; K159-A163 VanDerWaalsContact O-N 3.09Å; K159-R388 HydrophobicContact CB-CG 4.33Å; K159-V391 HydrophobicContact CB-CG1 4.23Å; K159-V391 HydrophobicContact CG-CG1 3.96Å; K159-D393 IonicContact NZ-OD1 2.62Å; K159-D393 PolarHBondContact NZ-OD1 3.03Å; K159-V396 HydrophobicContact CD-CG2 4.48Å; K159-V396 HydrophobicContact CG-CG2 3.78Å
160	D	98	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-43.9	173.7	-73.7	-26.6	0	0	0	111.5	M108 Q156 N157 I158 A163 V164 H384 R388	M108-D160 HydrophobicContact CB-CB 4.37Å; M108-D160 HydrophobicContact CG-CB 4.13Å; M108-D160 PolarHBondContact N-OD2 2.81Å; M108-D160 HydrophobicContact SD-CB 3.43Å; M108-D160 WeakPolarHBondContact SD-CB 3.23Å; Q156-D160 PolarHBondContact O-N 2.71Å; N157-D160 WeakPolarHBondContact O-CB 3.31Å; N157-D160 PolarHBondContact O-N 2.79Å; I158-D160 VanDerWaalsContact C-N 3.35Å; I158-D160 PolarHBondContact O-N 2.93Å; D160-A163 WeakPolarHBondContact O-CB 3.24Å; D160-A163 PolarHBondContact O-N 2.82Å; D160-V164 PolarHBondContact O-N 3.08Å; D160-H384 PolarHBondContact O-CE1 3.48Å; D160-H384 IonicContact OD1-NE2 2.92Å; D160-H384 PolarHBondContact OD1-NE2 3.24Å; D160-R388 WeakPolarHBondContact OD1-CD 3.46Å; D160-R388 IonicContact OD1-CZ 3.42Å; D160-R388 IonicContact OD1-NE 3.31Å; D160-R388 PolarHBondContact OD1-NE 2.99Å
161	I	98.5	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-46.1	179.6	-67.9	162.9	0	0	0	111.1	R101 M108 F116 I132 L134 N157 I158 A163 V164 F166 I173	R101-I161 HydrophobicContact CB-CD1 4.2Å; R101-I161 HydrophobicContact CG-CD1 4.44Å; M108-I161 HydrophobicContact SD-CG1 4.02Å; F116-I161 HydrophobicContact CD1-CG1 4.47Å; F116-I161 HydrophobicContact CD1-CG2 4.14Å; F116-I161 HydrophobicContact CD2-CG1 4.4Å; F116-I161 HydrophobicContact CE1-CD1 4.13Å; F116-I161 HydrophobicContact CE1-CG1 3.98Å; F116-I161 HydrophobicContact CE1-CG2 3.96Å; F116-I161 HydrophobicContact CE2-CD1 4.26Å; F116-I161 HydrophobicContact CE2-CG1 3.91Å; F116-I161 HydrophobicContact CZ-CD1 3.69Å; F116-I161 HydrophobicContact CZ-CG1 3.69Å; I132-I161 HydrophobicContact CD1-CG2 3.51Å; I132-I161 HydrophobicContact CG2-CD1 4.2Å; L134-I161 HydrophobicContact CD1-CD1 3.91Å; L134-I161 HydrophobicContact CD2-CD1 4.1Å; N157-I161 VanDerWaalsContact O-CG1 3.27Å; N157-I161 WeakPolarHBondContact O-CG1 3.48Å; N157-I161 PolarHBondContact O-N 3Å; I158-I161 PolarHBondContact O-N 3.2Å; I161-A163 PolarHBondContact O-N 3.07Å; I161-V164 VanDerWaalsContact O-CB 3.26Å; I161-V164 WeakPolarHBondContact O-CB 3.26Å; I161-V164 WeakPolarHBondContact O-CG2 3.5Å; I161-V164 PolarHBondContact O-N 3.19Å; I161-F166 HydrophobicContact CG2-CD2 4.13Å; I161-F166 HydrophobicContact CG2-CE2 4.15Å; I161-F166 WeakPolarHBondContact O-CD2 3.16Å; I161-I173 HydrophobicContact CG2-CD1 3.9Å
162	I	98.6	Very high	98	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-38.6	176.1	-67.8	168.1	0	0	0	110.5	I158 V164 G165 I173 V391 T395 V396 F399	I158-I162 HydrophobicContact CG2-CD1 3.68Å; I158-I162 HydrophobicContact CG2-CG1 4.23Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.47Å; I162-V164 PolarHBondContact O-N 3.07Å; I162-V164 VanDerWaalsContact O-N 3.12Å; I162-G165 PolarHBondContact O-N 2.72Å; I162-I173 HydrophobicContact CG1-CD1 3.87Å; I162-V391 HydrophobicContact CB-CG1 4.26Å; I162-V391 HydrophobicContact CB-CG2 4.14Å; I162-V391 HydrophobicContact CD1-CG1 3.95Å; I162-V391 HydrophobicContact CG2-CG1 4.08Å; I162-V391 HydrophobicContact CG2-CG2 3.64Å; I162-T395 HydrophobicContact CG2-CG2 4.12Å; I162-V396 HydrophobicContact CD1-CG2 4.14Å; I162-F399 HydrophobicContact CB-CE2 4.47Å; I162-F399 HydrophobicContact CD1-CB 4.15Å; I162-F399 HydrophobicContact CD1-CD2 3.52Å; I162-F399 HydrophobicContact CD1-CE2 4.02Å; I162-F399 HydrophobicContact CD1-CG 3.86Å; I162-F399 HydrophobicContact CG1-CD1 4.16Å; I162-F399 HydrophobicContact CG1-CD2 3.73Å; I162-F399 HydrophobicContact CG1-CE1 4.28Å; I162-F399 HydrophobicContact CG1-CE2 3.89Å; I162-F399 HydrophobicContact CG1-CG 3.87Å; I162-F399 HydrophobicContact CG1-CZ 4.15Å; I162-F399 HydrophobicContact CG2-CD2 4.38Å; I162-F399 HydrophobicContact CG2-CE2 3.77Å; I162-F399 HydrophobicContact CG2-CZ 4.05Å
163	A	98.3	Very high	98.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.9	178.4	0	0	0	0	0	114.4	K159 D160 I161 G165 R387 R388	K159-A163 WeakPolarHBondContact O-CB 3.3Å; K159-A163 PolarHBondContact O-N 3.41Å; K159-A163 VanDerWaalsContact O-N 3.09Å; D160-A163 WeakPolarHBondContact O-CB 3.24Å; D160-A163 PolarHBondContact O-N 2.82Å; I161-A163 PolarHBondContact O-N 3.07Å; A163-G165 PolarHBondContact O-N 2.74Å; A163-R387 HydrophobicContact CB-CB 4.11Å; A163-R387 WeakPolarHBondContact O-CD 3.4Å; A163-R387 PolarHBondContact O-NE 3.2Å; A163-R388 HydrophobicContact CB-CB 3.73Å; A163-R388 HydrophobicContact CB-CG 4.33Å
164	V	98.4	Very high	98.2	Very high	21 Å²	21	22.1 Å²	22.1	13%	0.127	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26	167.6	179.7	0	0	0	0	111.2	L113 F116 K120 D160 I161 I162 F166	L113-V164 HydrophobicContact CD2-CG2 4.02Å; F116-V164 HydrophobicContact CB-CG1 4.24Å; F116-V164 HydrophobicContact CB-CG2 3.96Å; K120-V164 HydrophobicContact CB-CG1 4.22Å; D160-V164 PolarHBondContact O-N 3.08Å; I161-V164 VanDerWaalsContact O-CB 3.26Å; I161-V164 WeakPolarHBondContact O-CB 3.26Å; I161-V164 WeakPolarHBondContact O-CG2 3.5Å; I161-V164 PolarHBondContact O-N 3.19Å; I162-V164 PolarHBondContact O-N 3.07Å; I162-V164 VanDerWaalsContact O-N 3.12Å; V164-F166 HydrophobicContact CB-CD2 4.15Å; V164-F166 HydrophobicContact CB-CE2 3.93Å; V164-F166 HydrophobicContact CG1-CD2 4.49Å; V164-F166 HydrophobicContact CG1-CE2 3.97Å; V164-F166 HydrophobicContact CG1-CZ 4.44Å
165	G	98.1	Very high	98.2	Very high	32 Å²	32	22.6 Å²	22.6	33%	0.33	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	14.9	174	0	0	0	0	0	115	K120 I162 A163	K120-G165 WeakPolarHBondContact CE-O 3.35Å; I162-G165 PolarHBondContact O-N 2.72Å; A163-G165 PolarHBondContact O-N 2.74Å
166	F	98.6	Very high	98.3	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.035	11%	0.107	C	C	.	.			trans	-56.4	151.8	171.8	-65.7	-73	0	0	0	111.5	F116 T119 K120 L130 I132 I161 V164 T171 F399	F116-F166 HydrophobicContact CB-CE2 4.26Å; F116-F166 HydrophobicContact CB-CZ 4.42Å; F116-F166 AromaticContact CD1-CE2 3.96Å; F116-F166 HydrophobicContact CD1-CE2 3.96Å; F116-F166 HydrophobicContact CD1-CZ 4.19Å; F116-F166 WeakPolarHBondContact O-CZ 3.38Å; T119-F166 HydrophobicContact CG2-CE1 4.18Å; T119-F166 HydrophobicContact CG2-CZ 4.27Å; K120-F166 HydrophobicContact CB-CD1 4.31Å; K120-F166 HydrophobicContact CB-CE1 3.7Å; K120-F166 HydrophobicContact CB-CZ 3.93Å; K120-F166 HydrophobicContact CD-CD1 3.73Å; K120-F166 HydrophobicContact CD-CE1 3.98Å; K120-F166 HydrophobicContact CD-CG 4.33Å; K120-F166 HydrophobicContact CG-CE1 4.43Å; L130-F166 HydrophobicContact CD2-CD1 3.46Å; L130-F166 VanDerWaalsContact CD2-CD1 3.46Å; L130-F166 HydrophobicContact CD2-CE1 3.21Å; L130-F166 HydrophobicContact CD2-CG 4.3Å; L130-F166 HydrophobicContact CD2-CZ 3.87Å; I132-F166 HydrophobicContact CD1-CD2 4.33Å; I132-F166 HydrophobicContact CD1-CE2 4.2Å; I161-F166 HydrophobicContact CG2-CD2 4.13Å; I161-F166 HydrophobicContact CG2-CE2 4.15Å; I161-F166 WeakPolarHBondContact O-CD2 3.16Å; V164-F166 HydrophobicContact CB-CD2 4.15Å; V164-F166 HydrophobicContact CB-CE2 3.93Å; V164-F166 HydrophobicContact CG1-CD2 4.49Å; V164-F166 HydrophobicContact CG1-CE2 3.97Å; V164-F166 HydrophobicContact CG1-CZ 4.44Å; F166-T171 HydrophobicContact CB-CG2 4.18Å; F166-T171 HydrophobicContact CG-CG2 4.42Å; F166-F399 HydrophobicContact CB-CE1 4Å; F166-F399 VanDerWaalsContact O-CZ 3.27Å; F166-F399 WeakPolarHBondContact O-CZ 3.4Å
167	E	97	Very high	98.3	Very high	77 Å²	77	20.5 Å²	20.5	36%	0.36	11%	0.109	S	C	.	.			trans	-101	135.9	177.8	-66.6	174	166.9	0	0	110.5	E169 K170 T171	E167-E169 VanDerWaalsContact C-N 3.28Å; E167-E169 HydrophobicContact CB-CG 4.19Å; E167-E169 PolarHBondContact O-N 3.16Å; E167-K170 PolarHBondContact O-N 2.8Å; E167-K170 VanDerWaalsContact O-N 3.17Å; E167-K170 WeakPolarHBondContact OE2-CE 3.27Å; E167-K170 IonicContact OE2-NZ 2.84Å; E167-T171 VanDerWaalsContact O-CB 3.23Å; E167-T171 WeakPolarHBondContact O-CB 3.43Å; E167-T171 PolarHBondContact O-N 3.03Å; E167-T171 VanDerWaalsContact O-N 3.11Å; E167-T171 PolarHBondContact O-OG1 3.24Å
168	P	98	Very high	98.2	Very high	42 Å²	42	23.1 Å²	23.1	27%	0.273	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-64.6	-32.7	-179.3	25.3	-32.3	0	0	0	111.2	K170 T171 Q398 F399 R403	P168-K170 PolarHBondContact O-N 3.21Å; P168-T171 PolarHBondContact O-N 3.17Å; P168-Q398 HydrophobicContact CB-CB 4.22Å; P168-F399 HydrophobicContact CB-CD1 4.47Å; P168-F399 HydrophobicContact CB-CD2 4.02Å; P168-F399 HydrophobicContact CB-CE1 4.28Å; P168-F399 HydrophobicContact CB-CE2 3.78Å; P168-F399 HydrophobicContact CB-CG 4.37Å; P168-F399 HydrophobicContact CB-CZ 3.93Å; P168-F399 HydrophobicContact CG-CE2 4.12Å; P168-F399 HydrophobicContact CG-CZ 4.24Å; P168-R403 PolarHBondContact O-NH2 2.87Å
169	E	98	Very high	98.1	Very high	98 Å²	98	22.9 Å²	22.9	46%	0.458	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-63	-17.5	178.5	57	162.1	-134.3	0	0	114.5	E167 L405 K406	E167-E169 VanDerWaalsContact C-N 3.28Å; E167-E169 HydrophobicContact CB-CG 4.19Å; E167-E169 PolarHBondContact O-N 3.16Å; E169-L405 WeakPolarHBondContact O-CB 3.4Å; E169-K406 HydrophobicContact CB-CB 4.28Å; E169-K406 HydrophobicContact CB-CD 4.35Å; E169-K406 HydrophobicContact CG-CD 4.07Å; E169-K406 PolarHBondContact O-N 3.23Å; E169-K406 WeakPolarHBondContact OE1-CD 3.39Å; E169-K406 IonicContact OE1-NZ 2.73Å; E169-K406 PolarHBondContact OE1-NZ 2.87Å
170	K	98.5	Very high	98	Very high	18 Å²	18	23.9 Å²	23.9	8%	0.078	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-114.7	-7.7	179.4	-55	-179.4	-173.4	-171.1	0	114.5	Q123 D127 P129 L130 E167 P168 L405 K406 Y407	Q123-K170 HydrophobicContact CG-CD 4.17Å; Q123-K170 PolarHBondContact NE2-O 2.98Å; D127-K170 WeakPolarHBondContact OD1-CE 3.26Å; D127-K170 IonicContact OD1-NZ 3.82Å; D127-K170 PolarHBondContact OD1-NZ 2.62Å; P129-K170 WeakPolarHBondContact CA-O 3.28Å; L130-K170 PolarHBondContact N-O 3.26Å; E167-K170 PolarHBondContact O-N 2.8Å; E167-K170 VanDerWaalsContact O-N 3.17Å; E167-K170 WeakPolarHBondContact OE2-CE 3.27Å; E167-K170 IonicContact OE2-NZ 2.84Å; P168-K170 PolarHBondContact O-N 3.21Å; K170-L405 WeakPolarHBondContact O-CD1 3.43Å; K170-K406 HydrophobicContact CG-CD 3.82Å; K170-K406 HydrophobicContact CG-CG 4.38Å; K170-Y407 HydrophobicContact CB-CE2 4.15Å; K170-Y407 WeakPolarHBondContact CD-OH 3.36Å; K170-Y407 HydrophobicContact CG-CE2 4.19Å; K170-Y407 WeakPolarHBondContact CG-OH 3.43Å
171	T	98.9	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.7	-165	-47.5	0	0	0	0	111.7	Q123 L130 I132 F166 E167 P168 I173 F399 R403	Q123-T171 PolarHBondContact NE2-OG1 3.09Å; L130-T171 HydrophobicContact CB-CG2 4.28Å; L130-T171 HydrophobicContact CD2-CG2 3.92Å; L130-T171 HydrophobicContact CG-CG2 4.09Å; L130-T171 WeakPolarHBondContact O-CA 3.43Å; I132-T171 HydrophobicContact CD1-CG2 3.97Å; I132-T171 HydrophobicContact CG1-CG2 4.32Å; F166-T171 HydrophobicContact CB-CG2 4.18Å; F166-T171 HydrophobicContact CG-CG2 4.42Å; E167-T171 VanDerWaalsContact O-CB 3.23Å; E167-T171 WeakPolarHBondContact O-CB 3.43Å; E167-T171 PolarHBondContact O-N 3.03Å; E167-T171 VanDerWaalsContact O-N 3.11Å; E167-T171 PolarHBondContact O-OG1 3.24Å; P168-T171 PolarHBondContact O-N 3.17Å; T171-I173 HydrophobicContact CG2-CD1 4.49Å; T171-I173 HydrophobicContact CG2-CG1 4.01Å; T171-F399 HydrophobicContact CG2-CD1 4.05Å; T171-F399 HydrophobicContact CG2-CE1 4.18Å; T171-R403 PolarHBondContact O-NH2 3.28Å
172	F	98.8	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	171.3	177.3	-115.7	0	0	0	109.6	L130 V131 I132 F174 F179 F232 F234 I235 F399 V402	L130-F172 PolarHBondContact O-N 3.18Å; V131-F172 CarbonylContact C-O 3.54Å; V131-F172 VanDerWaalsContact CA-O 3.29Å; V131-F172 WeakPolarHBondContact CA-O 3.44Å; V131-F172 HydrophobicContact CG1-CB 4.41Å; V131-F172 HydrophobicContact CG1-CD1 4.32Å; I132-F172 PolarHBondContact N-O 3.09Å; F172-F174 HydrophobicContact CD1-CB 4.46Å; F172-F174 AromaticContact CD1-CD1 3.87Å; F172-F174 HydrophobicContact CD1-CD1 3.87Å; F172-F174 HydrophobicContact CE1-CB 3.66Å; F172-F174 AromaticContact CE1-CD1 3.62Å; F172-F174 HydrophobicContact CE1-CD1 3.62Å; F172-F174 AromaticContact CE1-CG 3.88Å; F172-F174 HydrophobicContact CE1-CG 3.88Å; F172-F174 HydrophobicContact CZ-CB 3.73Å; F172-F174 HydrophobicContact CZ-CG 4.43Å; F172-F179 HydrophobicContact CE1-CD2 4.16Å; F172-F179 HydrophobicContact CE1-CE1 4.36Å; F172-F179 AromaticContact CE1-CE2 3.79Å; F172-F179 HydrophobicContact CE1-CE2 3.79Å; F172-F179 AromaticContact CE1-CZ 3.9Å; F172-F179 HydrophobicContact CE1-CZ 3.9Å; F172-F179 AromaticContact CZ-CD2 3.77Å; F172-F179 HydrophobicContact CZ-CD2 3.77Å; F172-F179 AromaticContact CZ-CE2 3.63Å; F172-F179 HydrophobicContact CZ-CE2 3.63Å; F172-F179 HydrophobicContact CZ-CG 4.5Å; F172-F179 HydrophobicContact CZ-CZ 4.23Å; F172-F232 HydrophobicContact CD1-CD1 4.19Å; F172-F232 HydrophobicContact CD1-CE1 4.24Å; F172-F232 HydrophobicContact CE1-CD1 4.11Å; F172-F232 HydrophobicContact CE1-CE1 4.09Å; F172-F234 HydrophobicContact CD1-CE2 4.24Å; F172-F234 HydrophobicContact CD1-CZ 4Å; F172-F234 HydrophobicContact CD2-CE2 4.31Å; F172-F234 HydrophobicContact CE1-CE2 4.2Å; F172-F234 AromaticContact CE1-CZ 3.61Å; F172-F234 HydrophobicContact CE1-CZ 3.61Å; F172-F234 HydrophobicContact CE2-CE2 4.27Å; F172-F234 HydrophobicContact CE2-CZ 4.27Å; F172-F234 HydrophobicContact CG-CE2 4.3Å; F172-F234 HydrophobicContact CG-CZ 4.48Å; F172-F234 HydrophobicContact CZ-CE2 4.21Å; F172-F234 AromaticContact CZ-CZ 3.76Å; F172-F234 HydrophobicContact CZ-CZ 3.76Å; F172-I235 HydrophobicContact CB-CD1 3.82Å; F172-I235 HydrophobicContact CD1-CD1 4.1Å; F172-I235 HydrophobicContact CG-CD1 4.14Å; F172-F399 WeakPolarHBondContact CD2-O 3.23Å; F172-V402 HydrophobicContact CE2-CG2 4.42Å; F172-V402 HydrophobicContact CZ-CG2 4.26Å
173	I	98.8	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.4	179.2	-52.7	-179.5	0	0	0	107.7	I132 L134 I158 I161 I162 T171 F399 T400	I132-I173 HydrophobicContact CB-CB 4.48Å; I132-I173 HydrophobicContact CB-CG1 4.16Å; I132-I173 HydrophobicContact CB-CG2 4.21Å; I132-I173 HydrophobicContact CD1-CD1 4.3Å; I132-I173 HydrophobicContact CD1-CG1 4.11Å; I132-I173 HydrophobicContact CG1-CG1 4.38Å; I132-I173 HydrophobicContact CG2-CG2 4.48Å; I132-I173 WeakPolarHBondContact O-CA 3.4Å; L134-I173 HydrophobicContact CD2-CG2 3.33Å; L134-I173 HydrophobicContact CG-CG2 4.48Å; I158-I173 HydrophobicContact CD1-CG2 4.26Å; I158-I173 HydrophobicContact CG1-CG2 3.8Å; I158-I173 HydrophobicContact CG2-CD1 4.24Å; I158-I173 HydrophobicContact CG2-CG2 4.21Å; I161-I173 HydrophobicContact CG2-CD1 3.9Å; I162-I173 HydrophobicContact CG1-CD1 3.87Å; T171-I173 HydrophobicContact CG2-CD1 4.49Å; T171-I173 HydrophobicContact CG2-CG1 4.01Å; I173-F399 HydrophobicContact CB-CB 4.28Å; I173-F399 HydrophobicContact CD1-CB 3.92Å; I173-F399 HydrophobicContact CD1-CD1 3.61Å; I173-F399 HydrophobicContact CD1-CE1 4.43Å; I173-F399 HydrophobicContact CD1-CG 3.99Å; I173-F399 HydrophobicContact CG1-CB 4.02Å; I173-F399 HydrophobicContact CG1-CD1 3.95Å; I173-F399 HydrophobicContact CG1-CG 4.4Å; I173-F399 PolarHBondContact N-O 2.81Å; I173-F399 VanDerWaalsContact N-O 3.09Å; I173-T400 WeakPolarHBondContact O-CA 3.35Å; I173-T400 WeakPolarHBondContact O-CG2 3.42Å
174	F	98.7	Very high	97.6	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.022	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	-176.9	67.6	-84.6	0	0	0	111.7	V131 I132 Q133 L134 F172 D176 F179 F186 P226 F232	V131-F174 HydrophobicContact CB-CE1 4.32Å; I132-F174 WeakPolarHBondContact O-CD1 3.42Å; I132-F174 PolarHBondContact O-N 3.07Å; Q133-F174 HydrophobicContact CB-CE1 4.02Å; Q133-F174 HydrophobicContact CB-CE2 3.96Å; Q133-F174 HydrophobicContact CB-CZ 3.51Å; Q133-F174 HydrophobicContact CG-CD2 4.49Å; Q133-F174 HydrophobicContact CG-CE2 3.64Å; Q133-F174 HydrophobicContact CG-CZ 3.69Å; L134-F174 WeakPolarHBondContact CB-O 3.38Å; L134-F174 PolarHBondContact N-O 3.07Å; F172-F174 HydrophobicContact CD1-CB 4.46Å; F172-F174 AromaticContact CD1-CD1 3.87Å; F172-F174 HydrophobicContact CD1-CD1 3.87Å; F172-F174 HydrophobicContact CE1-CB 3.66Å; F172-F174 AromaticContact CE1-CD1 3.62Å; F172-F174 HydrophobicContact CE1-CD1 3.62Å; F172-F174 AromaticContact CE1-CG 3.88Å; F172-F174 HydrophobicContact CE1-CG 3.88Å; F172-F174 HydrophobicContact CZ-CB 3.73Å; F172-F174 HydrophobicContact CZ-CG 4.43Å; F174-D176 WeakPolarHBondContact CE2-OD1 3.26Å; F174-F179 HydrophobicContact CB-CB 3.85Å; F174-F179 HydrophobicContact CB-CD1 4.25Å; F174-F179 HydrophobicContact CB-CD2 4.41Å; F174-F179 HydrophobicContact CB-CG 3.93Å; F174-F179 HydrophobicContact CD2-CB 3.8Å; F174-F179 AromaticContact CD2-CD1 3.41Å; F174-F179 HydrophobicContact CD2-CD1 3.41Å; F174-F179 VanDerWaalsContact CD2-CD1 3.41Å; F174-F179 HydrophobicContact CD2-CE1 4.21Å; F174-F179 AromaticContact CD2-CG 3.84Å; F174-F179 HydrophobicContact CD2-CG 3.84Å; F174-F179 AromaticContact CE2-CD1 3.84Å; F174-F179 HydrophobicContact CE2-CD1 3.84Å; F174-F179 HydrophobicContact CE2-CE1 4.4Å; F174-F179 HydrophobicContact CG-CB 4.21Å; F174-F179 AromaticContact CG-CD1 3.87Å; F174-F179 HydrophobicContact CG-CD1 3.87Å; F174-F179 HydrophobicContact CG-CE1 4.44Å; F174-F179 HydrophobicContact CG-CG 4.07Å; F174-F186 AromaticContact CE2-CE2 3.95Å; F174-F186 HydrophobicContact CE2-CE2 3.95Å; F174-F186 AromaticContact CE2-CZ 3.95Å; F174-F186 HydrophobicContact CE2-CZ 3.95Å; F174-F186 HydrophobicContact CZ-CE2 4.1Å; F174-F186 HydrophobicContact CZ-CZ 4.41Å; F174-P226 HydrophobicContact CZ-CB 4.26Å; F174-P226 HydrophobicContact CZ-CG 3.85Å; F174-F232 HydrophobicContact CD1-CE1 4.12Å; F174-F232 AromaticContact CE1-CE1 3.7Å; F174-F232 HydrophobicContact CE1-CE1 3.7Å; F174-F232 AromaticContact CE1-CZ 3.71Å; F174-F232 HydrophobicContact CE1-CZ 3.71Å; F174-F232 HydrophobicContact CZ-CE1 4.05Å; F174-F232 AromaticContact CZ-CZ 3.89Å; F174-F232 HydrophobicContact CZ-CZ 3.89Å
175	S	98.3	Very high	97.5	Very high	11 Å²	11	37.8 Å²	37.8	8%	0.077	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141	166.8	113.5	0	0	0	0	109.3	L134 D136 F177 C178 F179	L134-S175 WeakPolarHBondContact O-CA 3.41Å; D136-S175 PolarHBondContact OD1-OG 2.86Å; D136-S175 WeakPolarHBondContact OD2-CB 3.18Å; D136-S175 PolarHBondContact OD2-OG 2.77Å; S175-F177 PolarHBondContact O-N 3Å; S175-C178 PolarHBondContact O-N 2.84Å; S175-C178 VanDerWaalsContact O-N 3.13Å; S175-C178 PolarHBondContact OG-N 2.98Å; S175-C178 PolarHBondContact OG-SG 3.34Å; S175-F179 VanDerWaalsContact O-CB 3.29Å; S175-F179 WeakPolarHBondContact O-CB 3.43Å; S175-F179 PolarHBondContact O-N 3.02Å
176	D	98.5	Very high	97.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-43.8	-174.4	-74.5	-35.2	0	0	0	111.3	Q133 L134 T135 D136 D137 F174 C178 F179 M180 V222	Q133-D176 VanDerWaalsContact NE2-CG 3.28Å; Q133-D176 PolarHBondContact NE2-OD1 3.1Å; Q133-D176 PolarHBondContact NE2-OD2 3.26Å; L134-D176 PolarHBondContact O-N 3.1Å; L134-D176 VanDerWaalsContact O-N 3.11Å; T135-D176 WeakPolarHBondContact CA-OD2 3.22Å; T135-D176 WeakPolarHBondContact CG2-OD2 3.5Å; D136-D176 PolarHBondContact OD1-N 3.24Å; D137-D176 HydrophobicContact CB-CB 4.27Å; D137-D176 VanDerWaalsContact CG-CB 3.42Å; D137-D176 WeakPolarHBondContact OD1-CB 3.39Å; F174-D176 WeakPolarHBondContact CE2-OD1 3.26Å; D176-C178 PolarHBondContact O-N 3.42Å; D176-F179 PolarHBondContact O-N 3.18Å; D176-M180 VanDerWaalsContact O-CB 3.3Å; D176-M180 WeakPolarHBondContact O-CB 3.05Å; D176-M180 PolarHBondContact O-N 3.03Å; D176-M180 VanDerWaalsContact O-N 3.13Å; D176-V222 HydrophobicContact CB-CG1 4.45Å
177	F	97	Very high	97.5	Very high	68 Å²	68	42 Å²	42	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-57.9	-35.5	174.7	-81.2	-53.2	0	0	0	113.1	D136 D137 F140 I147 A150 M151 S175	D136-F177 HydrophobicContact CB-CD2 3.91Å; D136-F177 HydrophobicContact CB-CE2 4.39Å; D136-F177 VanDerWaalsContact CG-CD2 3.46Å; D136-F177 WeakPolarHBondContact O-CE2 3.46Å; D136-F177 PolarHBondContact OD1-N 3.16Å; D137-F177 VanDerWaalsContact CA-CE2 3.48Å; D137-F177 HydrophobicContact CB-CD1 4.33Å; D137-F177 HydrophobicContact CB-CD2 4.35Å; D137-F177 HydrophobicContact CB-CE1 4.04Å; D137-F177 HydrophobicContact CB-CE2 4.06Å; D137-F177 HydrophobicContact CB-CG 4.47Å; D137-F177 HydrophobicContact CB-CZ 3.89Å; F140-F177 HydrophobicContact CB-CE2 3.94Å; F140-F177 HydrophobicContact CB-CZ 3.88Å; F140-F177 AromaticContact CD1-CZ 3.97Å; F140-F177 HydrophobicContact CD1-CZ 3.97Å; F140-F177 HydrophobicContact CG-CE2 4.45Å; F140-F177 AromaticContact CG-CZ 3.98Å; F140-F177 HydrophobicContact CG-CZ 3.98Å; I147-F177 HydrophobicContact CG1-CE1 4.49Å; I147-F177 HydrophobicContact CG1-CZ 4.06Å; I147-F177 HydrophobicContact CG2-CD1 4.49Å; I147-F177 HydrophobicContact CG2-CD2 4.21Å; I147-F177 HydrophobicContact CG2-CE1 4.38Å; I147-F177 HydrophobicContact CG2-CE2 4.09Å; I147-F177 HydrophobicContact CG2-CG 4.43Å; I147-F177 HydrophobicContact CG2-CZ 4.19Å; A150-F177 HydrophobicContact CB-CE2 4.28Å; M151-F177 HydrophobicContact CG-CB 4.17Å; M151-F177 HydrophobicContact CG-CD2 4Å; M151-F177 HydrophobicContact CG-CG 4.43Å; M151-F177 HydrophobicContact SD-CB 4.37Å; S175-F177 PolarHBondContact O-N 3Å
178	C	95.8	Very high	97.6	Very high	55 Å²	55	45.2 Å²	45.2	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-81.2	-43.3	-179.8	-69.8	0	0	0	0	112.9	S175 D176 Q182	S175-C178 PolarHBondContact O-N 2.84Å; S175-C178 VanDerWaalsContact O-N 3.13Å; S175-C178 PolarHBondContact OG-N 2.98Å; S175-C178 PolarHBondContact OG-SG 3.34Å; D176-C178 PolarHBondContact O-N 3.42Å; C178-Q182 WeakPolarHBondContact O-CG 3.44Å; C178-Q182 PolarHBondContact O-NE2 2.73Å
179	F	98	Very high	97.6	Very high	3 Å²	3	44 Å²	44	1%	0.013	23%	0.229	C	C	.	.	H	α-helix	trans	-86.1	-31.2	-165.7	-178.4	-120.1	0	0	0	113.7	F172 F174 S175 D176 G181 Q182 C183 F186 F232 F234 V402	F172-F179 HydrophobicContact CE1-CD2 4.16Å; F172-F179 HydrophobicContact CE1-CE1 4.36Å; F172-F179 AromaticContact CE1-CE2 3.79Å; F172-F179 HydrophobicContact CE1-CE2 3.79Å; F172-F179 AromaticContact CE1-CZ 3.9Å; F172-F179 HydrophobicContact CE1-CZ 3.9Å; F172-F179 AromaticContact CZ-CD2 3.77Å; F172-F179 HydrophobicContact CZ-CD2 3.77Å; F172-F179 AromaticContact CZ-CE2 3.63Å; F172-F179 HydrophobicContact CZ-CE2 3.63Å; F172-F179 HydrophobicContact CZ-CG 4.5Å; F172-F179 HydrophobicContact CZ-CZ 4.23Å; F174-F179 HydrophobicContact CB-CB 3.85Å; F174-F179 HydrophobicContact CB-CD1 4.25Å; F174-F179 HydrophobicContact CB-CD2 4.41Å; F174-F179 HydrophobicContact CB-CG 3.93Å; F174-F179 HydrophobicContact CD2-CB 3.8Å; F174-F179 AromaticContact CD2-CD1 3.41Å; F174-F179 HydrophobicContact CD2-CD1 3.41Å; F174-F179 VanDerWaalsContact CD2-CD1 3.41Å; F174-F179 HydrophobicContact CD2-CE1 4.21Å; F174-F179 AromaticContact CD2-CG 3.84Å; F174-F179 HydrophobicContact CD2-CG 3.84Å; F174-F179 AromaticContact CE2-CD1 3.84Å; F174-F179 HydrophobicContact CE2-CD1 3.84Å; F174-F179 HydrophobicContact CE2-CE1 4.4Å; F174-F179 HydrophobicContact CG-CB 4.21Å; F174-F179 AromaticContact CG-CD1 3.87Å; F174-F179 HydrophobicContact CG-CD1 3.87Å; F174-F179 HydrophobicContact CG-CE1 4.44Å; F174-F179 HydrophobicContact CG-CG 4.07Å; S175-F179 VanDerWaalsContact O-CB 3.29Å; S175-F179 WeakPolarHBondContact O-CB 3.43Å; S175-F179 PolarHBondContact O-N 3.02Å; D176-F179 PolarHBondContact O-N 3.18Å; F179-G181 PolarHBondContact O-N 3.4Å; F179-G181 VanDerWaalsContact O-N 3.14Å; F179-Q182 HydrophobicContact CD2-CB 4.39Å; F179-Q182 PolarHBondContact O-N 3.09Å; F179-C183 HydrophobicContact CD2-CB 4.27Å; F179-C183 HydrophobicContact CE1-CB 4.18Å; F179-C183 HydrophobicContact CE2-CB 3.57Å; F179-C183 HydrophobicContact CZ-CB 3.52Å; F179-C183 PolarHBondContact O-N 3.32Å; F179-C183 VanDerWaalsContact O-N 3.15Å; F179-F186 AromaticContact CD1-CD2 3.89Å; F179-F186 HydrophobicContact CD1-CD2 3.89Å; F179-F186 HydrophobicContact CD1-CE2 4.16Å; F179-F186 HydrophobicContact CD1-CG 4.07Å; F179-F186 HydrophobicContact CE1-CB 4.05Å; F179-F186 AromaticContact CE1-CD2 3.38Å; F179-F186 HydrophobicContact CE1-CD2 3.38Å; F179-F186 AromaticContact CE1-CE2 3.93Å; F179-F186 HydrophobicContact CE1-CE2 3.93Å; F179-F186 AromaticContact CE1-CG 3.8Å; F179-F186 HydrophobicContact CE1-CG 3.8Å; F179-F186 HydrophobicContact CZ-CD2 4.46Å; F179-F232 AromaticContact CE1-CD1 3.95Å; F179-F232 HydrophobicContact CE1-CD1 3.95Å; F179-F232 AromaticContact CE1-CE1 3.59Å; F179-F232 HydrophobicContact CE1-CE1 3.59Å; F179-F232 AromaticContact CZ-CD1 3.74Å; F179-F232 HydrophobicContact CZ-CD1 3.74Å; F179-F232 AromaticContact CZ-CE1 3.86Å; F179-F232 HydrophobicContact CZ-CE1 3.86Å; F179-F234 AromaticContact CE2-CE1 3.68Å; F179-F234 HydrophobicContact CE2-CE1 3.68Å; F179-F234 AromaticContact CE2-CZ 3.77Å; F179-F234 HydrophobicContact CE2-CZ 3.77Å; F179-F234 AromaticContact CZ-CE1 3.65Å; F179-F234 HydrophobicContact CZ-CE1 3.65Å; F179-F234 AromaticContact CZ-CZ 3.85Å; F179-F234 HydrophobicContact CZ-CZ 3.85Å; F179-V402 HydrophobicContact CD2-CG2 4.1Å; F179-V402 HydrophobicContact CE2-CG2 3.9Å
180	M	96.4	Very high	97.6	Very high	48 Å²	48	39.4 Å²	39.4	24%	0.236	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-38.4	178.9	-169.1	71.9	67.7	0	0	112.2	D176 F186 Y187 V190 V222	D176-M180 VanDerWaalsContact O-CB 3.3Å; D176-M180 WeakPolarHBondContact O-CB 3.05Å; D176-M180 PolarHBondContact O-N 3.03Å; D176-M180 VanDerWaalsContact O-N 3.13Å; M180-F186 HydrophobicContact CE-CD1 3.89Å; M180-F186 HydrophobicContact CE-CE1 3.65Å; M180-F186 HydrophobicContact SD-CD1 3.65Å; M180-F186 HydrophobicContact SD-CE1 4.08Å; M180-Y187 HydrophobicContact CG-CD2 4.42Å; M180-Y187 HydrophobicContact SD-CD2 3.7Å; M180-Y187 HydrophobicContact SD-CG 4.23Å; M180-V190 HydrophobicContact CE-CG2 4.25Å; M180-V190 HydrophobicContact SD-CG2 4.45Å; M180-V222 HydrophobicContact CE-CG1 4.06Å; M180-V222 HydrophobicContact CE-CG2 4.31Å
181	G	93.4	Very high	97.6	Very high	75 Å²	75	41.4 Å²	41.4	77%	0.773	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	177.1	0	0	0	0	0	115.4	F179	F179-G181 PolarHBondContact O-N 3.4Å; F179-G181 VanDerWaalsContact O-N 3.14Å
182	Q	96.5	Very high	97.6	Very high	109 Å²	109	42.3 Å²	42.3	51%	0.509	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-25.9	-177.1	-65.6	176.8	31.9	0	0	113	C178 F179 V402	C178-Q182 WeakPolarHBondContact O-CG 3.44Å; C178-Q182 PolarHBondContact O-NE2 2.73Å; F179-Q182 HydrophobicContact CD2-CB 4.39Å; F179-Q182 PolarHBondContact O-N 3.09Å; Q182-V402 HydrophobicContact CB-CG2 4.29Å
183	C	97	Very high	97.6	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.034	23%	0.231	C	C	.	.			trans	-126.5	98	-177.4	-171.5	0	0	0	0	111.6	F179 E185 F186 S231	F179-C183 HydrophobicContact CD2-CB 4.27Å; F179-C183 HydrophobicContact CE1-CB 4.18Å; F179-C183 HydrophobicContact CE2-CB 3.57Å; F179-C183 HydrophobicContact CZ-CB 3.52Å; F179-C183 PolarHBondContact O-N 3.32Å; F179-C183 VanDerWaalsContact O-N 3.15Å; C183-E185 PolarHBondContact O-N 3.23Å; C183-F186 HydrophobicContact CB-CB 4.11Å; C183-F186 VanDerWaalsContact O-CB 3.31Å; C183-F186 WeakPolarHBondContact O-CB 3.49Å; C183-F186 PolarHBondContact O-N 3.06Å; C183-F186 VanDerWaalsContact O-N 3.1Å; C183-S231 PolarHBondContact SG-O 3.45Å; C183-S231 VanDerWaalsContact SG-O 3.37Å
184	P	96.6	Very high	97.6	Very high	82 Å²	82	45.9 Å²	45.9	53%	0.532	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-31.4	179.1	-27.1	35.4	0	0	0	114.6	F186 Y187 R188	P184-F186 VanDerWaalsContact C-N 3.3Å; P184-F186 PolarHBondContact O-N 3.13Å; P184-Y187 PolarHBondContact O-N 3.11Å; P184-R188 WeakPolarHBondContact O-CG 3.22Å; P184-R188 PolarHBondContact O-N 3.34Å
185	E	97.4	Very high	97.5	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-66.2	-33.3	178	-56.4	-54.7	156.8	0	0	112.1	C183 R188 N189 S230 P233	C183-E185 PolarHBondContact O-N 3.23Å; E185-R188 PolarHBondContact O-N 3.05Å; E185-R188 IonicContact OE1-CZ 3.5Å; E185-R188 IonicContact OE1-NH1 3.65Å; E185-R188 PolarHBondContact OE1-NH1 3.21Å; E185-R188 VanDerWaalsContact OE2-CD 3.28Å; E185-R188 WeakPolarHBondContact OE2-CD 3.39Å; E185-R188 IonicContact OE2-CZ 3.48Å; E185-R188 IonicContact OE2-NE 3.9Å; E185-R188 IonicContact OE2-NH1 2.65Å; E185-R188 PolarHBondContact OE2-NH1 2.92Å; E185-N189 PolarHBondContact O-N 2.86Å; E185-S230 WeakPolarHBondContact CB-O 3.41Å; E185-P233 HydrophobicContact CB-CG 4.21Å; E185-P233 HydrophobicContact CG-CB 4.42Å; E185-P233 HydrophobicContact CG-CG 3.82Å
186	F	98.5	Very high	97.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-51.5	174.6	-169	-89.9	0	0	0	110.6	F174 F179 M180 C183 P184 R188 N189 V190 V222 A225 P226 F232	F174-F186 AromaticContact CE2-CE2 3.95Å; F174-F186 HydrophobicContact CE2-CE2 3.95Å; F174-F186 AromaticContact CE2-CZ 3.95Å; F174-F186 HydrophobicContact CE2-CZ 3.95Å; F174-F186 HydrophobicContact CZ-CE2 4.1Å; F174-F186 HydrophobicContact CZ-CZ 4.41Å; F179-F186 AromaticContact CD1-CD2 3.89Å; F179-F186 HydrophobicContact CD1-CD2 3.89Å; F179-F186 HydrophobicContact CD1-CE2 4.16Å; F179-F186 HydrophobicContact CD1-CG 4.07Å; F179-F186 HydrophobicContact CE1-CB 4.05Å; F179-F186 AromaticContact CE1-CD2 3.38Å; F179-F186 HydrophobicContact CE1-CD2 3.38Å; F179-F186 AromaticContact CE1-CE2 3.93Å; F179-F186 HydrophobicContact CE1-CE2 3.93Å; F179-F186 AromaticContact CE1-CG 3.8Å; F179-F186 HydrophobicContact CE1-CG 3.8Å; F179-F186 HydrophobicContact CZ-CD2 4.46Å; M180-F186 HydrophobicContact CE-CD1 3.89Å; M180-F186 HydrophobicContact CE-CE1 3.65Å; M180-F186 HydrophobicContact SD-CD1 3.65Å; M180-F186 HydrophobicContact SD-CE1 4.08Å; C183-F186 HydrophobicContact CB-CB 4.11Å; C183-F186 VanDerWaalsContact O-CB 3.31Å; C183-F186 WeakPolarHBondContact O-CB 3.49Å; C183-F186 PolarHBondContact O-N 3.06Å; C183-F186 VanDerWaalsContact O-N 3.1Å; P184-F186 VanDerWaalsContact C-N 3.3Å; P184-F186 PolarHBondContact O-N 3.13Å; F186-R188 VanDerWaalsContact C-N 3.34Å; F186-R188 PolarHBondContact O-N 3.17Å; F186-N189 PolarHBondContact O-N 3Å; F186-V190 HydrophobicContact CD1-CG2 4.1Å; F186-V190 HydrophobicContact CE1-CG2 3.98Å; F186-V190 WeakPolarHBondContact O-CG2 3.46Å; F186-V190 PolarHBondContact O-N 3.32Å; F186-V222 HydrophobicContact CE1-CG1 4.39Å; F186-A225 HydrophobicContact CE1-CB 4.42Å; F186-A225 HydrophobicContact CE2-CB 4.24Å; F186-A225 HydrophobicContact CZ-CB 4.13Å; F186-P226 HydrophobicContact CE2-CG 3.83Å; F186-P226 HydrophobicContact CZ-CG 3.98Å; F186-F232 HydrophobicContact CD2-CE1 4.45Å; F186-F232 HydrophobicContact CE2-CE1 4.47Å; F186-F232 HydrophobicContact CE2-CZ 4.26Å
187	Y	98.3	Very high	97.5	Very high	129 Å²	129	59 Å²	59	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-35.2	178.2	-176.6	-117.4	0	0	0	112.9	M180 P184 N189 V190 V191	M180-Y187 HydrophobicContact CG-CD2 4.42Å; M180-Y187 HydrophobicContact SD-CD2 3.7Å; M180-Y187 HydrophobicContact SD-CG 4.23Å; P184-Y187 PolarHBondContact O-N 3.11Å; Y187-N189 VanDerWaalsContact C-N 3.33Å; Y187-N189 PolarHBondContact O-N 2.91Å; Y187-V190 WeakPolarHBondContact O-CB 3.3Å; Y187-V190 PolarHBondContact O-N 2.89Å; Y187-V191 HydrophobicContact CD1-CG2 4.31Å; Y187-V191 HydrophobicContact CD2-CG2 4.26Å; Y187-V191 HydrophobicContact CE1-CG2 3.84Å; Y187-V191 HydrophobicContact CE2-CG2 3.78Å; Y187-V191 WeakPolarHBondContact O-CG2 3.35Å; Y187-V191 PolarHBondContact O-N 3.15Å
188	R	98	Very high	97.5	Very high	144 Å²	144	59.3 Å²	59.3	54%	0.543	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-40.6	174.3	-72.6	172.9	-168.9	162.1	9.5	112	P184 E185 F186 V191 G192	P184-R188 WeakPolarHBondContact O-CG 3.22Å; P184-R188 PolarHBondContact O-N 3.34Å; E185-R188 PolarHBondContact O-N 3.05Å; E185-R188 IonicContact OE1-CZ 3.5Å; E185-R188 IonicContact OE1-NH1 3.65Å; E185-R188 PolarHBondContact OE1-NH1 3.21Å; E185-R188 VanDerWaalsContact OE2-CD 3.28Å; E185-R188 WeakPolarHBondContact OE2-CD 3.39Å; E185-R188 IonicContact OE2-CZ 3.48Å; E185-R188 IonicContact OE2-NE 3.9Å; E185-R188 IonicContact OE2-NH1 2.65Å; E185-R188 PolarHBondContact OE2-NH1 2.92Å; F186-R188 VanDerWaalsContact C-N 3.34Å; F186-R188 PolarHBondContact O-N 3.17Å; R188-V191 PolarHBondContact O-N 3.11Å; R188-G192 PolarHBondContact O-N 2.87Å
189	N	98.3	Very high	97.6	Very high	16 Å²	16	59.8 Å²	59.8	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-43.5	174	-79.2	-14.9	0	0	0	111.8	E185 F186 Y187 V191 G192 I193 A225 S230 S231 F268	E185-N189 PolarHBondContact O-N 2.86Å; F186-N189 PolarHBondContact O-N 3Å; Y187-N189 VanDerWaalsContact C-N 3.33Å; Y187-N189 PolarHBondContact O-N 2.91Å; N189-V191 PolarHBondContact O-N 3.06Å; N189-G192 PolarHBondContact O-N 2.85Å; N189-I193 WeakPolarHBondContact O-CD1 3.34Å; N189-I193 VanDerWaalsContact O-CG1 3.23Å; N189-I193 WeakPolarHBondContact O-CG1 3.3Å; N189-I193 PolarHBondContact O-N 2.93Å; N189-A225 HydrophobicContact CB-CB 4.25Å; N189-S230 PolarHBondContact ND2-OG 3.08Å; N189-S231 PolarHBondContact ND2-N 3.12Å; N189-S231 VanDerWaalsContact ND2-N 3.17Å; N189-S231 PolarHBondContact ND2-OG 2.74Å; N189-F268 WeakPolarHBondContact OD1-CZ 3.49Å
190	V	98.6	Very high	97.6	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-53.6	-52	174	172.2	0	0	0	0	110.9	M180 F186 Y187 G192 I193 Q194 A221 V222 A225	M180-V190 HydrophobicContact CE-CG2 4.25Å; M180-V190 HydrophobicContact SD-CG2 4.45Å; F186-V190 HydrophobicContact CD1-CG2 4.1Å; F186-V190 HydrophobicContact CE1-CG2 3.98Å; F186-V190 WeakPolarHBondContact O-CG2 3.46Å; F186-V190 PolarHBondContact O-N 3.32Å; Y187-V190 WeakPolarHBondContact O-CB 3.3Å; Y187-V190 PolarHBondContact O-N 2.89Å; V190-G192 VanDerWaalsContact C-N 3.35Å; V190-G192 PolarHBondContact O-N 2.7Å; V190-I193 PolarHBondContact O-N 2.77Å; V190-Q194 HydrophobicContact CG1-CG 4.47Å; V190-Q194 VanDerWaalsContact O-CG 3.31Å; V190-Q194 WeakPolarHBondContact O-CG 3.31Å; V190-Q194 PolarHBondContact O-N 3.44Å; V190-A221 HydrophobicContact CG1-CB 4.17Å; V190-V222 HydrophobicContact CG1-CG2 4.13Å; V190-V222 HydrophobicContact CG2-CG2 4.47Å; V190-A225 HydrophobicContact CG2-CB 3.65Å
191	V	98.3	Very high	97.6	Very high	60 Å²	60	65.6 Å²	65.6	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-37.7	179.5	176.9	0	0	0	0	111.8	Y187 R188 N189 I193 Q194 R195	Y187-V191 HydrophobicContact CD1-CG2 4.31Å; Y187-V191 HydrophobicContact CD2-CG2 4.26Å; Y187-V191 HydrophobicContact CE1-CG2 3.84Å; Y187-V191 HydrophobicContact CE2-CG2 3.78Å; Y187-V191 WeakPolarHBondContact O-CG2 3.35Å; Y187-V191 PolarHBondContact O-N 3.15Å; R188-V191 PolarHBondContact O-N 3.11Å; N189-V191 PolarHBondContact O-N 3.06Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 3.3Å; V191-Q194 PolarHBondContact O-N 3.3Å; V191-R195 PolarHBondContact O-N 3.49Å
192	G	98.2	Very high	97.8	Very high	20 Å²	20	62.2 Å²	62.2	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-43	174	0	0	0	0	0	112.5	R188 N189 V190 N196	R188-G192 PolarHBondContact O-N 2.87Å; N189-G192 PolarHBondContact O-N 2.85Å; V190-G192 VanDerWaalsContact C-N 3.35Å; V190-G192 PolarHBondContact O-N 2.7Å; G192-N196 PolarHBondContact O-ND2 3.23Å
193	I	98.6	Very high	97.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-68.1	-47.8	176.2	-63.4	156.7	0	0	0	110.5	N189 V190 V191 R195 N196 V197 A221 A224 A225 F228 M258 V262 L266	N189-I193 WeakPolarHBondContact O-CD1 3.34Å; N189-I193 VanDerWaalsContact O-CG1 3.23Å; N189-I193 WeakPolarHBondContact O-CG1 3.3Å; N189-I193 PolarHBondContact O-N 2.93Å; V190-I193 PolarHBondContact O-N 2.77Å; V191-I193 VanDerWaalsContact C-N 3.32Å; V191-I193 PolarHBondContact O-N 3.3Å; I193-R195 PolarHBondContact O-N 3.46Å; I193-N196 CarbonylContact O-C 3.6Å; I193-N196 WeakPolarHBondContact O-CA 3.44Å; I193-N196 PolarHBondContact O-N 3.43Å; I193-V197 HydrophobicContact CG2-CG2 4.11Å; I193-V197 PolarHBondContact O-N 3.44Å; I193-A221 HydrophobicContact CB-CB 3.99Å; I193-A221 HydrophobicContact CG2-CB 3.73Å; I193-A224 HydrophobicContact CD1-CB 3.95Å; I193-A224 HydrophobicContact CG2-CB 4.33Å; I193-A225 HydrophobicContact CD1-CB 4.04Å; I193-F228 HydrophobicContact CD1-CD2 4.14Å; I193-F228 HydrophobicContact CD1-CE2 3.69Å; I193-F228 HydrophobicContact CG1-CE2 4.03Å; I193-M258 HydrophobicContact CG2-CE 4.38Å; I193-V262 HydrophobicContact CB-CG1 4.41Å; I193-V262 HydrophobicContact CG1-CG1 4.22Å; I193-V262 HydrophobicContact CG2-CG1 4.27Å; I193-L266 HydrophobicContact CG1-CD1 3.78Å
194	Q	98.5	Very high	97.7	Very high	73 Å²	73	62 Å²	62	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-54.6	-38.3	178.4	-73.5	172.1	-14	0	0	112.4	V190 V191 N196 V197 A221	V190-Q194 HydrophobicContact CG1-CG 4.47Å; V190-Q194 VanDerWaalsContact O-CG 3.31Å; V190-Q194 WeakPolarHBondContact O-CG 3.31Å; V190-Q194 PolarHBondContact O-N 3.44Å; V191-Q194 PolarHBondContact O-N 3.3Å; Q194-N196 PolarHBondContact O-N 2.79Å; Q194-V197 PolarHBondContact O-N 3.03Å; Q194-A221 HydrophobicContact CG-CB 3.47Å; Q194-A221 VanDerWaalsContact CG-CB 3.47Å
195	R	98	Very high	97.6	Very high	226 Å²	226	59.7 Å²	59.7	85%	0.853	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-28	176.1	-176.9	176.2	178.7	-175.1	-0	113.4	V191 I193	V191-R195 PolarHBondContact O-N 3.49Å; I193-R195 PolarHBondContact O-N 3.46Å
196	N	98	Very high	97.6	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-102.7	1.1	-172.9	-75.5	-79.5	0	0	0	113.9	G192 I193 Q194 V262 K265 L266	G192-N196 PolarHBondContact O-ND2 3.23Å; I193-N196 CarbonylContact O-C 3.6Å; I193-N196 WeakPolarHBondContact O-CA 3.44Å; I193-N196 PolarHBondContact O-N 3.43Å; Q194-N196 PolarHBondContact O-N 2.79Å; N196-V262 HydrophobicContact CB-CG1 3.89Å; N196-V262 HydrophobicContact CB-CG2 4.43Å; N196-K265 HydrophobicContact CB-CD 4.23Å; N196-L266 WeakPolarHBondContact ND2-CD2 3.35Å
197	V	97.8	Very high	97.4	Very high	24 Å²	24	60.4 Å²	60.4	15%	0.145	30%	0.3	C	S	.	.			trans	-122.5	116.7	178.3	-178.2	0	0	0	0	109.4	I193 Q194 Q201 V202 M258 V262	I193-V197 HydrophobicContact CG2-CG2 4.11Å; I193-V197 PolarHBondContact O-N 3.44Å; Q194-V197 PolarHBondContact O-N 3.03Å; V197-Q201 HydrophobicContact CG1-CB 4.33Å; V197-V202 HydrophobicContact CG1-CG1 3.57Å; V197-M258 HydrophobicContact CB-SD 4.46Å; V197-M258 HydrophobicContact CG1-CG 4.36Å; V197-M258 HydrophobicContact CG1-SD 3.77Å; V197-M258 HydrophobicContact CG2-CE 4.48Å; V197-M258 HydrophobicContact CG2-CG 4.03Å; V197-M258 HydrophobicContact CG2-SD 3.91Å; V197-V262 HydrophobicContact CG2-CG2 3.39Å
198	T	97.6	Very high	97.3	Very high	75 Å²	75	54.6 Å²	54.6	46%	0.46	28%	0.277	S	S	.	.			trans	-82.8	157.5	178.7	65.4	0	0	0	0	111.9	N200 Q201 V202	T198-N200 PolarHBondContact O-N 2.85Å; T198-Q201 WeakPolarHBondContact O-CB 3.48Å; T198-Q201 PolarHBondContact O-N 2.87Å; T198-Q201 VanDerWaalsContact O-N 3.07Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.41Å; T198-Q201 PolarHBondContact OG1-N 3.11Å; T198-Q201 PolarHBondContact OG1-OE1 3.34Å; T198-V202 PolarHBondContact O-N 2.98Å
199	F	97.7	Very high	97.2	Very high	66 Å²	66	50.8 Å²	50.8	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-57.2	-38.6	172.6	178	-136.1	0	0	0	112.6	Q201 V202 R203 F208 E210 I217	F199-Q201 VanDerWaalsContact C-N 3.28Å; F199-Q201 PolarHBondContact O-N 3.13Å; F199-V202 HydrophobicContact CD2-CG2 3.91Å; F199-V202 WeakPolarHBondContact O-CG2 3.4Å; F199-V202 PolarHBondContact O-N 2.98Å; F199-R203 WeakPolarHBondContact O-CB 3.25Å; F199-R203 PolarHBondContact O-N 2.84Å; F199-F208 HydrophobicContact CE2-CB 4.42Å; F199-E210 HydrophobicContact CE1-CG 4.21Å; F199-E210 HydrophobicContact CZ-CG 4.46Å; F199-I217 HydrophobicContact CD2-CD1 4.17Å; F199-I217 HydrophobicContact CD2-CG1 4.38Å; F199-I217 HydrophobicContact CD2-CG2 3.78Å; F199-I217 HydrophobicContact CE2-CD1 3.69Å; F199-I217 HydrophobicContact CE2-CG1 4.03Å; F199-I217 HydrophobicContact CE2-CG2 4.28Å; F199-I217 HydrophobicContact CZ-CD1 4.28Å
200	N	97.4	Very high	97.1	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-36.4	176.4	-75.2	-14.8	0	0	0	112.4	T198 G204	T198-N200 PolarHBondContact O-N 2.85Å; N200-G204 PolarHBondContact O-N 3.03Å
201	Q	97.2	Very high	97	Very high	59 Å²	59	61.6 Å²	61.6	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-48.8	176.2	-73.2	167.3	-65.6	0	0	111.3	V197 T198 F199 R203 G204 I205	V197-Q201 HydrophobicContact CG1-CB 4.33Å; T198-Q201 WeakPolarHBondContact O-CB 3.48Å; T198-Q201 PolarHBondContact O-N 2.87Å; T198-Q201 VanDerWaalsContact O-N 3.07Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.41Å; T198-Q201 PolarHBondContact OG1-N 3.11Å; T198-Q201 PolarHBondContact OG1-OE1 3.34Å; F199-Q201 VanDerWaalsContact C-N 3.28Å; F199-Q201 PolarHBondContact O-N 3.13Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 3.05Å; Q201-G204 PolarHBondContact O-N 2.78Å; Q201-G204 VanDerWaalsContact O-N 3.1Å; Q201-I205 HydrophobicContact CB-CD1 4.48Å; Q201-I205 WeakPolarHBondContact O-CB 3.21Å; Q201-I205 VanDerWaalsContact O-CG1 3.22Å; Q201-I205 WeakPolarHBondContact O-CG1 3.41Å; Q201-I205 PolarHBondContact O-N 3.25Å
202	V	97.1	Very high	96.9	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-31.8	178.1	-65.9	0	0	0	0	112.3	V197 T198 F199 I205 F206 F208 I217 P220 M258	V197-V202 HydrophobicContact CG1-CG1 3.57Å; T198-V202 PolarHBondContact O-N 2.98Å; F199-V202 HydrophobicContact CD2-CG2 3.91Å; F199-V202 WeakPolarHBondContact O-CG2 3.4Å; F199-V202 PolarHBondContact O-N 2.98Å; V202-I205 PolarHBondContact O-N 3.05Å; V202-F206 HydrophobicContact CB-CD2 3.91Å; V202-F206 HydrophobicContact CG1-CD2 4.04Å; V202-F206 HydrophobicContact CG1-CE2 4.15Å; V202-F206 WeakPolarHBondContact O-CA 3.37Å; V202-F206 VanDerWaalsContact O-CB 3.26Å; V202-F206 WeakPolarHBondContact O-CB 3.33Å; V202-F206 PolarHBondContact O-N 3.14Å; V202-F208 HydrophobicContact CB-CD2 3.98Å; V202-F208 HydrophobicContact CB-CE2 4.39Å; V202-F208 HydrophobicContact CG2-CD2 4.17Å; V202-I217 HydrophobicContact CG2-CG2 4.09Å; V202-P220 HydrophobicContact CG1-CG 4.24Å; V202-M258 HydrophobicContact CG1-SD 4.33Å
203	R	96.3	Very high	96.9	Very high	89 Å²	89	62 Å²	62	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-48.3	167.9	173.8	-176.1	-58.1	-174	-1.9	111.5	F199 Q201 G207 F208 E210	F199-R203 WeakPolarHBondContact O-CB 3.25Å; F199-R203 PolarHBondContact O-N 2.84Å; Q201-R203 VanDerWaalsContact C-N 3.3Å; Q201-R203 PolarHBondContact O-N 3.05Å; R203-G207 WeakPolarHBondContact O-CA 3.46Å; R203-G207 PolarHBondContact O-N 2.86Å; R203-F208 WeakPolarHBondContact CB-O 3.41Å; R203-F208 VanDerWaalsContact CG-O 3.31Å; R203-F208 WeakPolarHBondContact CG-O 3.27Å; R203-E210 IonicContact CZ-OE1 2.77Å; R203-E210 IonicContact NH1-OE1 3.97Å; R203-E210 IonicContact NH2-OE1 3.91Å; R203-E210 PolarHBondContact NH2-OE1 2.87Å; R203-E210 IonicContact NH2-OE2 3.76Å; R203-E210 PolarHBondContact NH2-OE2 2.5Å
204	G	95.8	Very high	96.9	Very high	21 Å²	21	69 Å²	69	22%	0.216	37%	0.365	C	S	.	.	H	α-helix	trans	-69.9	-32.8	-179.6	0	0	0	0	0	114.4	N200 Q201	N200-G204 PolarHBondContact O-N 3.03Å; Q201-G204 PolarHBondContact O-N 2.78Å; Q201-G204 VanDerWaalsContact O-N 3.1Å
205	I	94.9	Very high	96.9	Very high	33 Å²	33	66.6 Å²	66.6	17%	0.169	36%	0.359	C	S	.	.	H	α-helix	trans	-84.2	-43.8	-177.1	-64.3	166.2	0	0	0	111.3	Q201 V202 P254 M258	Q201-I205 HydrophobicContact CB-CD1 4.48Å; Q201-I205 WeakPolarHBondContact O-CB 3.21Å; Q201-I205 VanDerWaalsContact O-CG1 3.22Å; Q201-I205 WeakPolarHBondContact O-CG1 3.41Å; Q201-I205 PolarHBondContact O-N 3.25Å; V202-I205 PolarHBondContact O-N 3.05Å; I205-P254 HydrophobicContact CG2-CB 3.72Å; I205-M258 HydrophobicContact CD1-CB 4.09Å; I205-M258 HydrophobicContact CD1-CG 4.14Å
206	F	95.8	Very high	96.9	Very high	16 Å²	16	58 Å²	58	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-114.1	-11	-168.1	-63.1	-66.8	0	0	0	113.9	P26 W27 V202 F208 P220 P254 Y255 M258	P26-F206 HydrophobicContact CG-CD1 4.43Å; P26-F206 HydrophobicContact CG-CE1 4.46Å; W27-F206 HydrophobicContact CH2-CB 3.71Å; W27-F206 AromaticContact CH2-CD1 3.71Å; W27-F206 HydrophobicContact CH2-CD1 3.71Å; W27-F206 HydrophobicContact CH2-CG 4.06Å; W27-F206 HydrophobicContact CZ3-CB 4.03Å; W27-F206 HydrophobicContact CZ3-CD1 4.23Å; W27-F206 WeakPolarHBondContact CZ3-O 3.34Å; V202-F206 HydrophobicContact CB-CD2 3.91Å; V202-F206 HydrophobicContact CG1-CD2 4.04Å; V202-F206 HydrophobicContact CG1-CE2 4.15Å; V202-F206 WeakPolarHBondContact O-CA 3.37Å; V202-F206 VanDerWaalsContact O-CB 3.26Å; V202-F206 WeakPolarHBondContact O-CB 3.33Å; V202-F206 PolarHBondContact O-N 3.14Å; F206-F208 VanDerWaalsContact C-N 3.34Å; F206-F208 HydrophobicContact CB-CD1 4.35Å; F206-F208 HydrophobicContact CB-CD2 3.92Å; F206-F208 HydrophobicContact CB-CE1 4.09Å; F206-F208 HydrophobicContact CB-CE2 3.65Å; F206-F208 HydrophobicContact CB-CG 4.25Å; F206-F208 HydrophobicContact CB-CZ 3.72Å; F206-F208 HydrophobicContact CD2-CE2 4Å; F206-F208 AromaticContact CG-CE2 3.98Å; F206-F208 HydrophobicContact CG-CE2 3.98Å; F206-F208 HydrophobicContact CG-CZ 4.15Å; F206-P220 HydrophobicContact CD2-CB 4.45Å; F206-P220 HydrophobicContact CD2-CG 3.85Å; F206-P220 HydrophobicContact CE2-CB 3.63Å; F206-P220 HydrophobicContact CE2-CG 3.51Å; F206-P220 HydrophobicContact CZ-CB 3.91Å; F206-P220 HydrophobicContact CZ-CG 4Å; F206-P254 HydrophobicContact CD1-CB 4.42Å; F206-P254 HydrophobicContact CE1-CB 3.93Å; F206-Y255 HydrophobicContact CD1-CE1 4.33Å; F206-Y255 AromaticContact CE1-CD1 3.54Å; F206-Y255 HydrophobicContact CE1-CD1 3.54Å; F206-Y255 HydrophobicContact CE1-CD2 4.11Å; F206-Y255 AromaticContact CE1-CE1 3.51Å; F206-Y255 HydrophobicContact CE1-CE1 3.51Å; F206-Y255 HydrophobicContact CE1-CE2 4.11Å; F206-Y255 AromaticContact CE1-CG 3.83Å; F206-Y255 HydrophobicContact CE1-CG 3.83Å; F206-Y255 AromaticContact CE1-CZ 3.82Å; F206-Y255 HydrophobicContact CE2-CD1 4.47Å; F206-Y255 AromaticContact CZ-CD1 3.39Å; F206-Y255 HydrophobicContact CZ-CD1 3.39Å; F206-Y255 AromaticContact CZ-CE1 3.65Å; F206-Y255 HydrophobicContact CZ-CE1 3.65Å; F206-Y255 AromaticContact CZ-CG 3.95Å; F206-Y255 HydrophobicContact CZ-CG 3.95Å; F206-M258 HydrophobicContact CE2-SD 4.06Å
207	G	95.1	Very high	96.9	Very high	54 Å²	54	57.8 Å²	57.8	56%	0.557	33%	0.326	S	S	*	.			trans	76.8	16.9	-179.4	0	0	0	0	0	114.7	R203	R203-G207 WeakPolarHBondContact O-CA 3.46Å; R203-G207 PolarHBondContact O-N 2.86Å
208	F	95.4	Very high	96.9	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.031	33%	0.333	C	S	.	.			trans	-65.5	149.3	175	-59.1	-37.4	0	0	0	112.2	W27 W142 F199 V202 R203 F206 D212 K216 I217 P220	W27-F208 AromaticContact CH2-CE1 3.6Å; W27-F208 HydrophobicContact CH2-CE1 3.6Å; W27-F208 AromaticContact CH2-CZ 3.67Å; W27-F208 HydrophobicContact CH2-CZ 3.67Å; W27-F208 AromaticContact CZ2-CE1 3.88Å; W27-F208 HydrophobicContact CZ2-CE1 3.88Å; W27-F208 AromaticContact CZ2-CZ 3.91Å; W27-F208 HydrophobicContact CZ2-CZ 3.91Å; W27-F208 HydrophobicContact CZ3-CE1 4.43Å; W142-F208 HydrophobicContact CH2-CZ 4.09Å; W142-F208 AromaticContact CZ2-CE1 3.67Å; W142-F208 HydrophobicContact CZ2-CE1 3.67Å; W142-F208 AromaticContact CZ2-CZ 3.63Å; W142-F208 HydrophobicContact CZ2-CZ 3.63Å; F199-F208 HydrophobicContact CE2-CB 4.42Å; V202-F208 HydrophobicContact CB-CD2 3.98Å; V202-F208 HydrophobicContact CB-CE2 4.39Å; V202-F208 HydrophobicContact CG2-CD2 4.17Å; R203-F208 WeakPolarHBondContact CB-O 3.41Å; R203-F208 VanDerWaalsContact CG-O 3.31Å; R203-F208 WeakPolarHBondContact CG-O 3.27Å; F206-F208 VanDerWaalsContact C-N 3.34Å; F206-F208 HydrophobicContact CB-CD1 4.35Å; F206-F208 HydrophobicContact CB-CD2 3.92Å; F206-F208 HydrophobicContact CB-CE1 4.09Å; F206-F208 HydrophobicContact CB-CE2 3.65Å; F206-F208 HydrophobicContact CB-CG 4.25Å; F206-F208 HydrophobicContact CB-CZ 3.72Å; F206-F208 HydrophobicContact CD2-CE2 4Å; F206-F208 AromaticContact CG-CE2 3.98Å; F206-F208 HydrophobicContact CG-CE2 3.98Å; F206-F208 HydrophobicContact CG-CZ 4.15Å; F208-D212 WeakPolarHBondContact CA-OD2 3.46Å; F208-K216 WeakPolarHBondContact CE2-O 3.22Å; F208-I217 HydrophobicContact CB-CG1 4.48Å; F208-P220 HydrophobicContact CE2-CG 3.99Å
209	N	96	Very high	97	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	31%	0.312	S	S	.	.			trans	-131.6	178.7	177	65.4	69.3	0	0	0	111.6	S211 D212	N209-S211 PolarHBondContact O-N 3.41Å; N209-S211 VanDerWaalsContact O-N 3.14Å; N209-S211 WeakPolarHBondContact OD1-CA 3.37Å; N209-S211 VanDerWaalsContact OD1-CB 3.31Å; N209-S211 WeakPolarHBondContact OD1-CB 3.42Å; N209-S211 PolarHBondContact OD1-N 3.15Å; N209-S211 PolarHBondContact OD1-OG 2.79Å; N209-D212 PolarHBondContact N-OD2 2.7Å; N209-D212 WeakPolarHBondContact O-CB 3.46Å; N209-D212 PolarHBondContact O-N 3.43Å; N209-D212 VanDerWaalsContact O-N 3.08Å
210	E	96.2	Very high	97	Very high	140 Å²	140	51.8 Å²	51.8	65%	0.654	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.7	-175.3	-65.1	85.9	167	0	0	114	F199 R203	F199-E210 HydrophobicContact CE1-CG 4.21Å; F199-E210 HydrophobicContact CZ-CG 4.46Å; R203-E210 IonicContact CZ-OE1 2.77Å; R203-E210 IonicContact NH1-OE1 3.97Å; R203-E210 IonicContact NH2-OE1 3.91Å; R203-E210 PolarHBondContact NH2-OE1 2.87Å; R203-E210 IonicContact NH2-OE2 3.76Å; R203-E210 PolarHBondContact NH2-OE2 2.5Å
211	S	97	Very high	97.1	Very high	104 Å²	104	46.6 Å²	46.6	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.8	175.3	74.8	0	0	0	0	113.7	N209	N209-S211 PolarHBondContact O-N 3.41Å; N209-S211 VanDerWaalsContact O-N 3.14Å; N209-S211 WeakPolarHBondContact OD1-CA 3.37Å; N209-S211 VanDerWaalsContact OD1-CB 3.31Å; N209-S211 WeakPolarHBondContact OD1-CB 3.42Å; N209-S211 PolarHBondContact OD1-N 3.15Å; N209-S211 PolarHBondContact OD1-OG 2.79Å
212	D	97.5	Very high	97.2	Very high	34 Å²	34	44.3 Å²	44.3	18%	0.182	26%	0.262	C	S	.	.	S	Bend	trans	-71.9	142.4	174.1	-73.3	-63.7	0	0	0	111.2	F208 N209 K216 I217	F208-D212 WeakPolarHBondContact CA-OD2 3.46Å; N209-D212 PolarHBondContact N-OD2 2.7Å; N209-D212 WeakPolarHBondContact O-CB 3.46Å; N209-D212 PolarHBondContact O-N 3.43Å; N209-D212 VanDerWaalsContact O-N 3.08Å; D212-K216 HydrophobicContact CB-CD 4.4Å; D212-K216 IonicContact OD1-NZ 3.67Å; D212-I217 HydrophobicContact CB-CG1 4.3Å
213	S	97.6	Very high	97.2	Very high	55 Å²	55	44.6 Å²	44.6	39%	0.385	26%	0.263	S	S	.	.			trans	-61.3	148.3	176.7	76.6	0	0	0	0	111.4	G215 K216 I217	S213-G215 PolarHBondContact O-N 2.73Å; S213-G215 VanDerWaalsContact O-N 3.08Å; S213-K216 PolarHBondContact O-N 2.88Å; S213-K216 PolarHBondContact OG-N 3.48Å; S213-I217 PolarHBondContact O-N 3.25Å; S213-I217 VanDerWaalsContact O-N 3.16Å
214	I	98.2	Very high	97.3	Very high	149 Å²	149	40.4 Å²	40.4	76%	0.764	25%	0.247	S	C	*	.	H	α-helix	trans	-57.6	-26.4	176.1	61.1	174.6	0	0	0	112.8	A218	I214-A218 VanDerWaalsContact O-CB 3.27Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 2.74Å
215	G	98.1	Very high	97.5	Very high	22 Å²	22	39.4 Å²	39.4	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-45.9	174.2	0	0	0	0	0	112.2	S213 I217 A218 F219	S213-G215 PolarHBondContact O-N 2.73Å; S213-G215 VanDerWaalsContact O-N 3.08Å; G215-I217 VanDerWaalsContact C-N 3.34Å; G215-I217 PolarHBondContact O-N 2.86Å; G215-A218 PolarHBondContact O-N 3.12Å; G215-F219 WeakPolarHBondContact O-CB 3.13Å; G215-F219 PolarHBondContact O-N 2.71Å
216	K	98	Very high	97.7	Very high	45 Å²	45	37.8 Å²	37.8	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-43.6	174.6	-70.2	-176.2	179.6	178.2	0	111.9	L141 W142 F208 D212 S213 A218 F219 P220	L141-K216 HydrophobicContact CB-CG 4.32Å; L141-K216 WeakPolarHBondContact O-CE 3.48Å; W142-K216 HydrophobicContact CD2-CD 4.22Å; W142-K216 HydrophobicContact CD2-CG 3.95Å; W142-K216 HydrophobicContact CE3-CG 3.9Å; W142-K216 HydrophobicContact CH2-CB 3.8Å; W142-K216 HydrophobicContact CH2-CG 3.93Å; W142-K216 HydrophobicContact CZ2-CB 3.92Å; W142-K216 HydrophobicContact CZ2-CD 4.3Å; W142-K216 HydrophobicContact CZ2-CG 3.92Å; W142-K216 HydrophobicContact CZ3-CB 4.19Å; W142-K216 HydrophobicContact CZ3-CG 3.91Å; F208-K216 WeakPolarHBondContact CE2-O 3.22Å; D212-K216 HydrophobicContact CB-CD 4.4Å; D212-K216 IonicContact OD1-NZ 3.67Å; S213-K216 PolarHBondContact O-N 2.88Å; S213-K216 PolarHBondContact OG-N 3.48Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 3.09Å; K216-F219 PolarHBondContact O-N 3.29Å; K216-P220 WeakPolarHBondContact O-CD 3.31Å
217	I	98.3	Very high	97.8	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.195	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-37.7	-179.8	-66.4	170.7	0	0	0	111.2	F199 V202 F208 D212 S213 G215	F199-I217 HydrophobicContact CD2-CD1 4.17Å; F199-I217 HydrophobicContact CD2-CG1 4.38Å; F199-I217 HydrophobicContact CD2-CG2 3.78Å; F199-I217 HydrophobicContact CE2-CD1 3.69Å; F199-I217 HydrophobicContact CE2-CG1 4.03Å; F199-I217 HydrophobicContact CE2-CG2 4.28Å; F199-I217 HydrophobicContact CZ-CD1 4.28Å; V202-I217 HydrophobicContact CG2-CG2 4.09Å; F208-I217 HydrophobicContact CB-CG1 4.48Å; D212-I217 HydrophobicContact CB-CG1 4.3Å; S213-I217 PolarHBondContact O-N 3.25Å; S213-I217 VanDerWaalsContact O-N 3.16Å; G215-I217 VanDerWaalsContact C-N 3.34Å; G215-I217 PolarHBondContact O-N 2.86Å
218	A	98.3	Very high	98	Very high	35 Å²	35	34.9 Å²	34.9	29%	0.289	20%	0.201	S	C	.	.	H	α-helix	trans	-89.6	-18.3	-176.5	0	0	0	0	0	114.5	I214 G215 K216 P220 A221	I214-A218 VanDerWaalsContact O-CB 3.27Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 2.74Å; G215-A218 PolarHBondContact O-N 3.12Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 3.09Å; A218-P220 VanDerWaalsContact C-CD 3.41Å; A218-A221 WeakPolarHBondContact O-CB 3.47Å; A218-A221 PolarHBondContact O-N 2.9Å
219	F	98.7	Very high	98.1	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.6	-177.2	175.2	-99.9	0	0	0	115.3	T135 E138 L141 W142 G215 K216 A221 V222 E223 Y255	T135-F219 HydrophobicContact CG2-CE2 4.36Å; T135-F219 HydrophobicContact CG2-CZ 3.86Å; E138-F219 HydrophobicContact CB-CD1 4.42Å; E138-F219 HydrophobicContact CB-CD2 4.05Å; E138-F219 HydrophobicContact CB-CE1 3.92Å; E138-F219 HydrophobicContact CB-CE2 3.51Å; E138-F219 HydrophobicContact CB-CG 4.49Å; E138-F219 HydrophobicContact CB-CZ 3.44Å; E138-F219 VanDerWaalsContact CB-CZ 3.44Å; E138-F219 HydrophobicContact CG-CD1 3.96Å; E138-F219 HydrophobicContact CG-CD2 4.45Å; E138-F219 HydrophobicContact CG-CE1 3.55Å; E138-F219 HydrophobicContact CG-CE2 4.1Å; E138-F219 HydrophobicContact CG-CG 4.4Å; E138-F219 HydrophobicContact CG-CZ 3.64Å; L141-F219 HydrophobicContact CD1-CB 4.31Å; W142-F219 HydrophobicContact CH2-CB 3.82Å; W142-F219 AromaticContact CH2-CD1 3.79Å; W142-F219 HydrophobicContact CH2-CD1 3.79Å; W142-F219 HydrophobicContact CH2-CG 4.02Å; W142-F219 HydrophobicContact CZ3-CB 3.77Å; W142-F219 AromaticContact CZ3-CD1 3.83Å; W142-F219 HydrophobicContact CZ3-CD1 3.83Å; W142-F219 AromaticContact CZ3-CG 3.77Å; W142-F219 HydrophobicContact CZ3-CG 3.77Å; G215-F219 WeakPolarHBondContact O-CB 3.13Å; G215-F219 PolarHBondContact O-N 2.71Å; K216-F219 PolarHBondContact O-N 3.29Å; F219-A221 PolarHBondContact O-N 2.79Å; F219-V222 HydrophobicContact CD2-CB 4.05Å; F219-V222 HydrophobicContact CD2-CG2 4.39Å; F219-V222 HydrophobicContact CE2-CB 4.06Å; F219-V222 HydrophobicContact CE2-CG1 4.25Å; F219-V222 WeakPolarHBondContact O-CA 3.48Å; F219-V222 VanDerWaalsContact O-CB 3.31Å; F219-V222 WeakPolarHBondContact O-CB 3.39Å; F219-V222 PolarHBondContact O-N 3.12Å; F219-E223 HydrophobicContact CE1-CB 4.26Å; F219-E223 HydrophobicContact CZ-CB 4.32Å; F219-E223 WeakPolarHBondContact CZ-OE2 3.48Å; F219-E223 PolarHBondContact O-N 3.17Å; F219-Y255 HydrophobicContact CD1-CE1 4.21Å; F219-Y255 HydrophobicContact CE1-CE1 4.17Å
220	P	98.7	Very high	98.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-52.7	-26.8	178.6	-29.3	35.2	0	0	0	114.8	V202 F206 F208 K216 A218 A224 Y255 M258	V202-P220 HydrophobicContact CG1-CG 4.24Å; F206-P220 HydrophobicContact CD2-CB 4.45Å; F206-P220 HydrophobicContact CD2-CG 3.85Å; F206-P220 HydrophobicContact CE2-CB 3.63Å; F206-P220 HydrophobicContact CE2-CG 3.51Å; F206-P220 HydrophobicContact CZ-CB 3.91Å; F206-P220 HydrophobicContact CZ-CG 4Å; F208-P220 HydrophobicContact CE2-CG 3.99Å; K216-P220 WeakPolarHBondContact O-CD 3.31Å; A218-P220 VanDerWaalsContact C-CD 3.41Å; P220-A224 VanDerWaalsContact O-CB 3.31Å; P220-A224 WeakPolarHBondContact O-CB 3.44Å; P220-A224 PolarHBondContact O-N 3.18Å; P220-A224 VanDerWaalsContact O-N 3.09Å; P220-Y255 HydrophobicContact CB-CD1 3.97Å; P220-Y255 HydrophobicContact CB-CE1 3.93Å; P220-Y255 HydrophobicContact CG-CD1 4.5Å; P220-Y255 HydrophobicContact CG-CE1 3.99Å; P220-M258 HydrophobicContact CB-CE 3.63Å; P220-M258 HydrophobicContact CB-SD 3.79Å; P220-M258 VanDerWaalsContact O-CE 3.29Å; P220-M258 WeakPolarHBondContact O-CE 3.45Å
221	A	98.7	Very high	98.2	Very high	5 Å²	5	25.9 Å²	25.9	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-30.3	174.5	0	0	0	0	0	113.6	V190 I193 Q194 A218 F219 A224 A225	V190-A221 HydrophobicContact CG1-CB 4.17Å; I193-A221 HydrophobicContact CB-CB 3.99Å; I193-A221 HydrophobicContact CG2-CB 3.73Å; Q194-A221 HydrophobicContact CG-CB 3.47Å; Q194-A221 VanDerWaalsContact CG-CB 3.47Å; A218-A221 WeakPolarHBondContact O-CB 3.47Å; A218-A221 PolarHBondContact O-N 2.9Å; F219-A221 PolarHBondContact O-N 2.79Å; A221-A224 PolarHBondContact O-N 2.76Å; A221-A225 PolarHBondContact O-N 3.03Å
222	V	98.7	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	7%	0.067	12%	0.124	C	C	.	.	H	α-helix	trans	-68.7	-45.1	175.4	-175.4	0	0	0	0	110.3	Q133 D176 M180 F186 V190 F219 A224 A225 P226	Q133-V222 PolarHBondContact NE2-O 2.91Å; D176-V222 HydrophobicContact CB-CG1 4.45Å; M180-V222 HydrophobicContact CE-CG1 4.06Å; M180-V222 HydrophobicContact CE-CG2 4.31Å; F186-V222 HydrophobicContact CE1-CG1 4.39Å; V190-V222 HydrophobicContact CG1-CG2 4.13Å; V190-V222 HydrophobicContact CG2-CG2 4.47Å; F219-V222 HydrophobicContact CD2-CB 4.05Å; F219-V222 HydrophobicContact CD2-CG2 4.39Å; F219-V222 HydrophobicContact CE2-CB 4.06Å; F219-V222 HydrophobicContact CE2-CG1 4.25Å; F219-V222 WeakPolarHBondContact O-CA 3.48Å; F219-V222 VanDerWaalsContact O-CB 3.31Å; F219-V222 WeakPolarHBondContact O-CB 3.39Å; F219-V222 PolarHBondContact O-N 3.12Å; V222-A224 VanDerWaalsContact C-N 3.31Å; V222-A224 PolarHBondContact O-N 3.18Å; V222-A225 PolarHBondContact O-N 2.88Å; V222-P226 WeakPolarHBondContact O-CD 3.11Å
223	E	98.6	Very high	98.3	Very high	11 Å²	11	20 Å²	20	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-30.8	174.1	-162.2	83.2	-156.8	0	0	112.5	Y98 T135 F219 P226 Y255 F256	Y98-E223 PolarHBondContact OH-O 2.83Å; Y98-E223 PolarHBondContact OH-OE1 3.35Å; T135-E223 VanDerWaalsContact CG2-OE2 3.28Å; T135-E223 WeakPolarHBondContact CG2-OE2 3.42Å; F219-E223 HydrophobicContact CE1-CB 4.26Å; F219-E223 HydrophobicContact CZ-CB 4.32Å; F219-E223 WeakPolarHBondContact CZ-OE2 3.48Å; F219-E223 PolarHBondContact O-N 3.17Å; E223-P226 WeakPolarHBondContact O-CD 3.37Å; E223-Y255 HydrophobicContact CB-CD1 3.96Å; E223-Y255 HydrophobicContact CB-CE1 4.35Å; E223-Y255 HydrophobicContact CB-CG 4.33Å; E223-Y255 HydrophobicContact CG-CD1 4.12Å; E223-Y255 HydrophobicContact CG-CD2 4.34Å; E223-Y255 HydrophobicContact CG-CG 3.98Å; E223-F256 HydrophobicContact CG-CE1 4.25Å; E223-F256 HydrophobicContact CG-CZ 4.43Å
224	A	98.7	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-79.7	-28.2	-179.9	0	0	0	0	0	113.3	I193 P220 A221 V222 C227 M258 A259	I193-A224 HydrophobicContact CD1-CB 3.95Å; I193-A224 HydrophobicContact CG2-CB 4.33Å; P220-A224 VanDerWaalsContact O-CB 3.31Å; P220-A224 WeakPolarHBondContact O-CB 3.44Å; P220-A224 PolarHBondContact O-N 3.18Å; P220-A224 VanDerWaalsContact O-N 3.09Å; A221-A224 PolarHBondContact O-N 2.76Å; V222-A224 VanDerWaalsContact C-N 3.31Å; V222-A224 PolarHBondContact O-N 3.18Å; A224-C227 WeakPolarHBondContact O-CB 3.45Å; A224-C227 PolarHBondContact O-N 3.26Å; A224-C227 VanDerWaalsContact O-N 3.1Å; A224-C227 PolarHBondContact O-SG 3.09Å; A224-C227 VanDerWaalsContact O-SG 3.39Å; A224-M258 HydrophobicContact CB-CE 3.93Å; A224-A259 HydrophobicContact CB-CB 3.81Å
225	A	98.7	Very high	98.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-59.9	-40.4	-175.9	0	0	0	0	0	114.4	F186 N189 V190 I193 A221 V222 C227 F228 S231	F186-A225 HydrophobicContact CE1-CB 4.42Å; F186-A225 HydrophobicContact CE2-CB 4.24Å; F186-A225 HydrophobicContact CZ-CB 4.13Å; N189-A225 HydrophobicContact CB-CB 4.25Å; V190-A225 HydrophobicContact CG2-CB 3.65Å; I193-A225 HydrophobicContact CD1-CB 4.04Å; A221-A225 PolarHBondContact O-N 3.03Å; V222-A225 PolarHBondContact O-N 2.88Å; A225-C227 PolarHBondContact O-N 2.96Å; A225-C227 VanDerWaalsContact O-N 3.1Å; A225-F228 PolarHBondContact O-N 3.48Å; A225-F228 VanDerWaalsContact O-N 3.15Å; A225-S231 WeakPolarHBondContact O-CB 3.29Å; A225-S231 PolarHBondContact O-OG 3.18Å
226	P	98.7	Very high	98.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-63.8	-10.5	175.5	-20.9	29.4	0	0	0	115.1	Y96 Y98 F174 F186 V222 E223 F228 F232	Y96-P226 PolarHBondContact OH-O 3.46Å; Y98-P226 HydrophobicContact CD1-CB 3.94Å; Y98-P226 HydrophobicContact CD2-CB 3.84Å; Y98-P226 HydrophobicContact CE1-CB 3.7Å; Y98-P226 HydrophobicContact CE1-CG 4.29Å; Y98-P226 HydrophobicContact CE2-CB 3.6Å; Y98-P226 HydrophobicContact CE2-CG 4.03Å; Y98-P226 HydrophobicContact CG-CB 4.04Å; F174-P226 HydrophobicContact CZ-CB 4.26Å; F174-P226 HydrophobicContact CZ-CG 3.85Å; F186-P226 HydrophobicContact CE2-CG 3.83Å; F186-P226 HydrophobicContact CZ-CG 3.98Å; V222-P226 WeakPolarHBondContact O-CD 3.11Å; E223-P226 WeakPolarHBondContact O-CD 3.37Å; P226-F228 PolarHBondContact O-N 2.94Å; P226-F232 HydrophobicContact CB-CE2 4.08Å; P226-F232 HydrophobicContact CB-CZ 3.88Å
227	C	98.6	Very high	98	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.02	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-69.8	-16.3	173.6	-62	0	0	0	0	112.7	Y96 A224 A225 C244 I246 P271	Y96-C227 PolarHBondContact OH-O 3.23Å; A224-C227 WeakPolarHBondContact O-CB 3.45Å; A224-C227 PolarHBondContact O-N 3.26Å; A224-C227 VanDerWaalsContact O-N 3.1Å; A224-C227 PolarHBondContact O-SG 3.09Å; A224-C227 VanDerWaalsContact O-SG 3.39Å; A225-C227 PolarHBondContact O-N 2.96Å; A225-C227 VanDerWaalsContact O-N 3.1Å; C227-C244 VanDerWaalsContact O-CB 3.29Å; C227-C244 WeakPolarHBondContact O-CB 3.37Å; C227-I246 WeakPolarHBondContact SG-CD1 3.44Å; C227-P271 HydrophobicContact CB-CB 4.04Å; C227-P271 HydrophobicContact CB-CG 3.97Å
228	F	98.5	Very high	97.8	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.022	9%	0.091	C	C	.	.	S	Bend	trans	-110.6	126.2	-175.2	-50.4	-56	0	0	0	110.9	Y96 I193 A225 P226 S230 S231 A263 F268	Y96-F228 PolarHBondContact OH-N 2.71Å; I193-F228 HydrophobicContact CD1-CD2 4.14Å; I193-F228 HydrophobicContact CD1-CE2 3.69Å; I193-F228 HydrophobicContact CG1-CE2 4.03Å; A225-F228 PolarHBondContact O-N 3.48Å; A225-F228 VanDerWaalsContact O-N 3.15Å; P226-F228 PolarHBondContact O-N 2.94Å; F228-S230 PolarHBondContact O-N 3.26Å; F228-S230 VanDerWaalsContact O-N 3.17Å; F228-S231 WeakPolarHBondContact O-CB 3.43Å; F228-S231 PolarHBondContact O-N 2.73Å; F228-S231 PolarHBondContact O-OG 3.23Å; F228-A263 HydrophobicContact CE1-CB 3.54Å; F228-A263 HydrophobicContact CZ-CB 3.92Å; F228-F268 HydrophobicContact CB-CD2 3.97Å; F228-F268 HydrophobicContact CB-CE2 4.22Å; F228-F268 HydrophobicContact CB-CG 4.34Å; F228-F268 HydrophobicContact CD1-CB 3.51Å; F228-F268 AromaticContact CD1-CD2 3.58Å; F228-F268 HydrophobicContact CD1-CD2 3.58Å; F228-F268 AromaticContact CD1-CG 3.81Å; F228-F268 HydrophobicContact CD1-CG 3.81Å; F228-F268 AromaticContact CD2-CD2 3.76Å; F228-F268 HydrophobicContact CD2-CD2 3.76Å; F228-F268 HydrophobicContact CD2-CE2 4.1Å; F228-F268 HydrophobicContact CE1-CB 3.77Å; F228-F268 AromaticContact CE1-CD2 3.99Å; F228-F268 HydrophobicContact CE1-CD2 3.99Å; F228-F268 HydrophobicContact CE1-CG 4.33Å; F228-F268 HydrophobicContact CE2-CD2 4.14Å; F228-F268 HydrophobicContact CG-CB 4.24Å; F228-F268 AromaticContact CG-CD2 3.45Å; F228-F268 HydrophobicContact CG-CD2 3.45Å; F228-F268 VanDerWaalsContact CG-CD2 3.45Å; F228-F268 HydrophobicContact CG-CE2 4.03Å; F228-F268 HydrophobicContact CG-CG 4.03Å; F228-F268 HydrophobicContact CZ-CD2 4.25Å
229	S	97.8	Very high	97.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.8	-178.5	38.4	0	0	0	0	113.3	Y96 S231 F232 F236 R239 V242	Y96-S229 PolarHBondContact OH-N 3.45Å; S229-S231 PolarHBondContact O-N 3.37Å; S229-S231 VanDerWaalsContact O-N 3.09Å; S229-F232 CarbonylContact O-C 3.59Å; S229-F232 PolarHBondContact O-N 3.17Å; S229-F236 VanDerWaalsContact O-CD2 3.27Å; S229-F236 WeakPolarHBondContact O-CD2 3.47Å; S229-R239 CarbonylContact C-O 3.56Å; S229-R239 PolarHBondContact OG-O 3.5Å; S229-V242 PolarHBondContact OG-N 3.06Å; S229-V242 PolarHBondContact OG-O 3.46Å; S229-V242 VanDerWaalsContact OG-O 3.12Å
230	S	97.3	Very high	97.4	Very high	20 Å²	20	20.6 Å²	20.6	14%	0.14	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.6	172.3	52.1	0	0	0	0	114.1	E185 N189 F228 F232 F268	E185-S230 WeakPolarHBondContact CB-O 3.41Å; N189-S230 PolarHBondContact ND2-OG 3.08Å; F228-S230 PolarHBondContact O-N 3.26Å; F228-S230 VanDerWaalsContact O-N 3.17Å; S230-F232 PolarHBondContact O-N 2.92Å; S230-F268 WeakPolarHBondContact OG-CE1 3.25Å; S230-F268 WeakPolarHBondContact OG-CZ 3.48Å
231	S	98.4	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-69.7	-18.9	173.2	-68.7	0	0	0	0	113.4	C183 N189 A225 F228 S229 P233	C183-S231 PolarHBondContact SG-O 3.45Å; C183-S231 VanDerWaalsContact SG-O 3.37Å; N189-S231 PolarHBondContact ND2-N 3.12Å; N189-S231 VanDerWaalsContact ND2-N 3.17Å; N189-S231 PolarHBondContact ND2-OG 2.74Å; A225-S231 WeakPolarHBondContact O-CB 3.29Å; A225-S231 PolarHBondContact O-OG 3.18Å; F228-S231 WeakPolarHBondContact O-CB 3.43Å; F228-S231 PolarHBondContact O-N 2.73Å; F228-S231 PolarHBondContact O-OG 3.23Å; S229-S231 PolarHBondContact O-N 3.37Å; S229-S231 VanDerWaalsContact O-N 3.09Å; S231-P233 VanDerWaalsContact C-CD 3.45Å; S231-P233 WeakPolarHBondContact O-CD 3.14Å
232	F	98.2	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.			trans	-128.2	62	-176.1	-48.9	-78.8	0	0	0	111.6	V131 F172 F174 F179 F186 P226 S229 S230 F234 I235 F236	V131-F232 HydrophobicContact CB-CE1 4.47Å; V131-F232 HydrophobicContact CB-CE2 4.31Å; V131-F232 HydrophobicContact CB-CZ 4.11Å; V131-F232 HydrophobicContact CG1-CD1 4.32Å; V131-F232 HydrophobicContact CG1-CD2 4.19Å; V131-F232 HydrophobicContact CG1-CE1 4.27Å; V131-F232 HydrophobicContact CG1-CE2 4.12Å; V131-F232 HydrophobicContact CG1-CG 4.28Å; V131-F232 HydrophobicContact CG1-CZ 4.17Å; V131-F232 HydrophobicContact CG2-CE2 3.87Å; V131-F232 HydrophobicContact CG2-CZ 3.99Å; F172-F232 HydrophobicContact CD1-CD1 4.19Å; F172-F232 HydrophobicContact CD1-CE1 4.24Å; F172-F232 HydrophobicContact CE1-CD1 4.11Å; F172-F232 HydrophobicContact CE1-CE1 4.09Å; F174-F232 HydrophobicContact CD1-CE1 4.12Å; F174-F232 AromaticContact CE1-CE1 3.7Å; F174-F232 HydrophobicContact CE1-CE1 3.7Å; F174-F232 AromaticContact CE1-CZ 3.71Å; F174-F232 HydrophobicContact CE1-CZ 3.71Å; F174-F232 HydrophobicContact CZ-CE1 4.05Å; F174-F232 AromaticContact CZ-CZ 3.89Å; F174-F232 HydrophobicContact CZ-CZ 3.89Å; F179-F232 AromaticContact CE1-CD1 3.95Å; F179-F232 HydrophobicContact CE1-CD1 3.95Å; F179-F232 AromaticContact CE1-CE1 3.59Å; F179-F232 HydrophobicContact CE1-CE1 3.59Å; F179-F232 AromaticContact CZ-CD1 3.74Å; F179-F232 HydrophobicContact CZ-CD1 3.74Å; F179-F232 AromaticContact CZ-CE1 3.86Å; F179-F232 HydrophobicContact CZ-CE1 3.86Å; F186-F232 HydrophobicContact CD2-CE1 4.45Å; F186-F232 HydrophobicContact CE2-CE1 4.47Å; F186-F232 HydrophobicContact CE2-CZ 4.26Å; P226-F232 HydrophobicContact CB-CE2 4.08Å; P226-F232 HydrophobicContact CB-CZ 3.88Å; S229-F232 CarbonylContact O-C 3.59Å; S229-F232 PolarHBondContact O-N 3.17Å; S230-F232 PolarHBondContact O-N 2.92Å; F232-F234 HydrophobicContact CB-CE1 4.27Å; F232-F234 HydrophobicContact CB-CZ 4.32Å; F232-F234 HydrophobicContact CD1-CE1 4.27Å; F232-F234 HydrophobicContact CD1-CZ 4.01Å; F232-F234 PolarHBondContact O-N 2.81Å; F232-F234 VanDerWaalsContact O-N 3.07Å; F232-I235 HydrophobicContact CB-CB 4.13Å; F232-I235 HydrophobicContact CB-CD1 3.98Å; F232-I235 HydrophobicContact CB-CG1 4.09Å; F232-I235 HydrophobicContact CD1-CD1 4.49Å; F232-I235 HydrophobicContact CG-CD1 4.36Å; F232-I235 PolarHBondContact O-N 2.73Å; F232-F236 HydrophobicContact CB-CD2 3.84Å; F232-F236 HydrophobicContact CB-CE2 3.81Å; F232-F236 AromaticContact CD2-CE2 3.98Å; F232-F236 HydrophobicContact CD2-CE2 3.98Å; F232-F236 HydrophobicContact CG-CE2 4.31Å; F232-F236 WeakPolarHBondContact O-CD2 3.28Å; F232-F236 PolarHBondContact O-N 2.85Å
233	P	96.8	Very high	97	Very high	16 Å²	16	24.3 Å²	24.3	10%	0.104	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-25.3	-174.8	26.2	-37.1	0	0	0	113.6	E185 S231 N237 Q238	E185-P233 HydrophobicContact CB-CG 4.21Å; E185-P233 HydrophobicContact CG-CB 4.42Å; E185-P233 HydrophobicContact CG-CG 3.82Å; S231-P233 VanDerWaalsContact C-CD 3.45Å; S231-P233 WeakPolarHBondContact O-CD 3.14Å; P233-N237 VanDerWaalsContact O-CA 3.25Å; P233-N237 WeakPolarHBondContact O-CA 2.8Å; P233-N237 PolarHBondContact O-N 2.85Å; P233-Q238 VanDerWaalsContact CB-CD 3.48Å; P233-Q238 HydrophobicContact CB-CG 4.43Å; P233-Q238 PolarHBondContact O-N 2.97Å
234	F	96.4	Very high	97	Very high	40 Å²	40	23.9 Å²	23.9	18%	0.175	12%	0.123	C	C	.	.	H	α-helix	trans	-76.9	-19.5	177.1	59	-88.8	0	0	0	113.5	F172 F179 F232 V402 R403 P404	F172-F234 HydrophobicContact CD1-CE2 4.24Å; F172-F234 HydrophobicContact CD1-CZ 4Å; F172-F234 HydrophobicContact CD2-CE2 4.31Å; F172-F234 HydrophobicContact CE1-CE2 4.2Å; F172-F234 AromaticContact CE1-CZ 3.61Å; F172-F234 HydrophobicContact CE1-CZ 3.61Å; F172-F234 HydrophobicContact CE2-CE2 4.27Å; F172-F234 HydrophobicContact CE2-CZ 4.27Å; F172-F234 HydrophobicContact CG-CE2 4.3Å; F172-F234 HydrophobicContact CG-CZ 4.48Å; F172-F234 HydrophobicContact CZ-CE2 4.21Å; F172-F234 AromaticContact CZ-CZ 3.76Å; F172-F234 HydrophobicContact CZ-CZ 3.76Å; F179-F234 AromaticContact CE2-CE1 3.68Å; F179-F234 HydrophobicContact CE2-CE1 3.68Å; F179-F234 AromaticContact CE2-CZ 3.77Å; F179-F234 HydrophobicContact CE2-CZ 3.77Å; F179-F234 AromaticContact CZ-CE1 3.65Å; F179-F234 HydrophobicContact CZ-CE1 3.65Å; F179-F234 AromaticContact CZ-CZ 3.85Å; F179-F234 HydrophobicContact CZ-CZ 3.85Å; F232-F234 HydrophobicContact CB-CE1 4.27Å; F232-F234 HydrophobicContact CB-CZ 4.32Å; F232-F234 HydrophobicContact CD1-CE1 4.27Å; F232-F234 HydrophobicContact CD1-CZ 4.01Å; F232-F234 PolarHBondContact O-N 2.81Å; F232-F234 VanDerWaalsContact O-N 3.07Å; F234-V402 HydrophobicContact CB-CG1 4.1Å; F234-V402 HydrophobicContact CD1-CG1 3.53Å; F234-V402 HydrophobicContact CD2-CG1 3.72Å; F234-V402 HydrophobicContact CE1-CG1 3.8Å; F234-V402 HydrophobicContact CE2-CG1 3.95Å; F234-V402 HydrophobicContact CG-CG1 3.5Å; F234-V402 VanDerWaalsContact CG-CG1 3.5Å; F234-V402 HydrophobicContact CZ-CG1 3.99Å; F234-V402 HydrophobicContact CZ-CG2 4.44Å; F234-R403 VanDerWaalsContact CD2-O 3.25Å; F234-R403 WeakPolarHBondContact CD2-O 3.14Å; F234-P404 VanDerWaalsContact O-CA 3.31Å; F234-P404 WeakPolarHBondContact O-CA 3.14Å
235	I	97.8	Very high	97	Very high	6 Å²	6	24 Å²	24	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-90.1	-49.5	172.6	-58.3	-177.9	0	0	0	109.5	P129 V131 F172 F232 L405 Y409	P129-I235 HydrophobicContact CB-CG2 4.49Å; V131-I235 HydrophobicContact CG1-CD1 3.75Å; F172-I235 HydrophobicContact CB-CD1 3.82Å; F172-I235 HydrophobicContact CD1-CD1 4.1Å; F172-I235 HydrophobicContact CG-CD1 4.14Å; F232-I235 HydrophobicContact CB-CB 4.13Å; F232-I235 HydrophobicContact CB-CD1 3.98Å; F232-I235 HydrophobicContact CB-CG1 4.09Å; F232-I235 HydrophobicContact CD1-CD1 4.49Å; F232-I235 HydrophobicContact CG-CD1 4.36Å; F232-I235 PolarHBondContact O-N 2.73Å; I235-L405 HydrophobicContact CD1-CD1 4.01Å; I235-L405 HydrophobicContact CD1-CG 4.32Å; I235-L405 HydrophobicContact CG1-CD1 4.43Å; I235-L405 HydrophobicContact CG1-CG 4.31Å; I235-L405 HydrophobicContact CG2-CB 4.46Å; I235-L405 HydrophobicContact CG2-CD1 3.9Å; I235-L405 HydrophobicContact CG2-CG 4.16Å; I235-Y409 WeakPolarHBondContact O-CD2 3.33Å
236	F	97.4	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-97.8	9.8	-169.5	-55.9	-66.1	0	0	0	114.1	Y96 P129 S229 F232 Q238 R239 V242 Y409	Y96-F236 HydrophobicContact CD1-CE1 4.12Å; Y96-F236 HydrophobicContact CD1-CE2 4.42Å; Y96-F236 AromaticContact CD1-CZ 3.73Å; Y96-F236 HydrophobicContact CD1-CZ 3.73Å; Y96-F236 HydrophobicContact CD2-CE2 4.29Å; Y96-F236 AromaticContact CD2-CZ 3.67Å; Y96-F236 HydrophobicContact CD2-CZ 3.67Å; Y96-F236 HydrophobicContact CE1-CZ 4.26Å; Y96-F236 HydrophobicContact CE2-CE2 4.37Å; Y96-F236 HydrophobicContact CE2-CZ 4.18Å; Y96-F236 AromaticContact CG-CE1 3.97Å; Y96-F236 HydrophobicContact CG-CE1 3.97Å; Y96-F236 HydrophobicContact CG-CE2 4.31Å; Y96-F236 AromaticContact CG-CZ 3.41Å; Y96-F236 HydrophobicContact CG-CZ 3.41Å; Y96-F236 VanDerWaalsContact CG-CZ 3.41Å; P129-F236 HydrophobicContact CG-CE1 4.08Å; S229-F236 VanDerWaalsContact O-CD2 3.27Å; S229-F236 WeakPolarHBondContact O-CD2 3.47Å; F232-F236 HydrophobicContact CB-CD2 3.84Å; F232-F236 HydrophobicContact CB-CE2 3.81Å; F232-F236 AromaticContact CD2-CE2 3.98Å; F232-F236 HydrophobicContact CD2-CE2 3.98Å; F232-F236 HydrophobicContact CG-CE2 4.31Å; F232-F236 WeakPolarHBondContact O-CD2 3.28Å; F232-F236 PolarHBondContact O-N 2.85Å; F236-Q238 VanDerWaalsContact C-N 3.35Å; F236-Q238 PolarHBondContact O-N 3.43Å; F236-R239 HydrophobicContact CB-CB 4.32Å; F236-R239 WeakPolarHBondContact O-CB 3.36Å; F236-R239 VanDerWaalsContact O-CG 3.3Å; F236-R239 WeakPolarHBondContact O-CG 3.35Å; F236-R239 PolarHBondContact O-N 2.79Å; F236-R239 VanDerWaalsContact O-N 3.07Å; F236-V242 HydrophobicContact CB-CG2 4.35Å; F236-V242 HydrophobicContact CD1-CB 4.18Å; F236-V242 HydrophobicContact CD1-CG1 4.11Å; F236-V242 HydrophobicContact CD1-CG2 4.01Å; F236-V242 HydrophobicContact CE1-CG1 4.1Å; F236-V242 HydrophobicContact CG-CG2 4.38Å; F236-Y409 HydrophobicContact CD1-CD2 4.3Å; F236-Y409 HydrophobicContact CD1-CE1 4.14Å; F236-Y409 AromaticContact CD1-CE2 3.77Å; F236-Y409 HydrophobicContact CD1-CE2 3.77Å; F236-Y409 AromaticContact CD1-CZ 3.7Å; F236-Y409 HydrophobicContact CE1-CE2 4.26Å
237	N	94.6	Very high	97	Very high	74 Å²	74	24 Å²	24	40%	0.396	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	49.7	179	-164.8	22.3	0	0	0	112.9	P233 R239 Y409 A411 P412	P233-N237 VanDerWaalsContact O-CA 3.25Å; P233-N237 WeakPolarHBondContact O-CA 2.8Å; P233-N237 PolarHBondContact O-N 2.85Å; N237-R239 PolarHBondContact O-N 3.3Å; N237-Y409 PolarHBondContact ND2-O 3.44Å; N237-A411 WeakPolarHBondContact ND2-CA 3.45Å; N237-A411 PolarHBondContact ND2-N 3.28Å; N237-P412 WeakPolarHBondContact O-CD 3.43Å
238	Q	93.5	Very high	97	Very high	114 Å²	114	24.2 Å²	24.2	53%	0.533	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	10.8	-178.1	-53.8	-71	-12.2	0	0	115.8	P233 F236	P233-Q238 VanDerWaalsContact CB-CD 3.48Å; P233-Q238 HydrophobicContact CB-CG 4.43Å; P233-Q238 PolarHBondContact O-N 2.97Å; F236-Q238 VanDerWaalsContact C-N 3.35Å; F236-Q238 PolarHBondContact O-N 3.43Å
239	R	94.1	Very high	96.9	Very high	41 Å²	41	24.9 Å²	24.9	16%	0.155	13%	0.131	C	C	.	.			trans	-74.2	141	172.8	-69	-177.4	68.4	170.1	-1.2	111.7	S229 F236 N237 D241 V242 P412	S229-R239 CarbonylContact C-O 3.56Å; S229-R239 PolarHBondContact OG-O 3.5Å; F236-R239 HydrophobicContact CB-CB 4.32Å; F236-R239 WeakPolarHBondContact O-CB 3.36Å; F236-R239 VanDerWaalsContact O-CG 3.3Å; F236-R239 WeakPolarHBondContact O-CG 3.35Å; F236-R239 PolarHBondContact O-N 2.79Å; F236-R239 VanDerWaalsContact O-N 3.07Å; N237-R239 PolarHBondContact O-N 3.3Å; R239-D241 WeakPolarHBondContact CB-OD1 3.37Å; R239-D241 IonicContact CZ-OD1 2.73Å; R239-D241 VanDerWaalsContact CZ-OD1 3.31Å; R239-D241 IonicContact CZ-OD2 2.8Å; R239-D241 IonicContact NE-OD1 3.98Å; R239-D241 PolarHBondContact NE-OD1 2.86Å; R239-D241 IonicContact NE-OD2 3.77Å; R239-D241 IonicContact NH2-OD1 2.73Å; R239-D241 PolarHBondContact NH2-OD1 3.31Å; R239-D241 IonicContact NH2-OD2 2.59Å; R239-D241 PolarHBondContact NH2-OD2 3.24Å; R239-V242 HydrophobicContact CB-CG2 3.98Å; R239-P412 HydrophobicContact CG-CG 4.08Å
240	D	94.2	Very high	96.8	Very high	84 Å²	84	24.8 Å²	24.8	45%	0.449	13%	0.131	S	C	.	.	S	Bend	trans	-117.5	3.9	175.8	59.1	-3.8	0	0	0	112.7	F268	D240-F268 HydrophobicContact CB-CD1 4.32Å; D240-F268 HydrophobicContact CB-CE1 4.16Å
241	D	94.6	Very high	96.7	Very high	76 Å²	76	24.1 Å²	24.1	41%	0.406	13%	0.125	S	C	.	.			trans	-107.5	10.6	-176.5	70.5	-28.9	0	0	0	113	R239 P243 L269	R239-D241 WeakPolarHBondContact CB-OD1 3.37Å; R239-D241 IonicContact CZ-OD1 2.73Å; R239-D241 VanDerWaalsContact CZ-OD1 3.31Å; R239-D241 IonicContact CZ-OD2 2.8Å; R239-D241 IonicContact NE-OD1 3.98Å; R239-D241 PolarHBondContact NE-OD1 2.86Å; R239-D241 IonicContact NE-OD2 3.77Å; R239-D241 IonicContact NH2-OD1 2.73Å; R239-D241 PolarHBondContact NH2-OD1 3.31Å; R239-D241 IonicContact NH2-OD2 2.59Å; R239-D241 PolarHBondContact NH2-OD2 3.24Å; D241-P243 VanDerWaalsContact O-CD 3.31Å; D241-P243 WeakPolarHBondContact O-CD 3.49Å; D241-L269 VanDerWaalsContact O-CD1 3.31Å; D241-L269 WeakPolarHBondContact O-CD1 3.23Å
242	V	96.7	Very high	96.6	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.024	14%	0.135	C	C	.	.			trans	-85.3	115.4	174.7	-170.3	0	0	0	0	109	P94 Y96 S229 F236 R239 Y409	P94-V242 HydrophobicContact CB-CG1 4.45Å; P94-V242 HydrophobicContact CG-CG1 4.47Å; Y96-V242 HydrophobicContact CD1-CG1 4.03Å; S229-V242 PolarHBondContact OG-N 3.06Å; S229-V242 PolarHBondContact OG-O 3.46Å; S229-V242 VanDerWaalsContact OG-O 3.12Å; F236-V242 HydrophobicContact CB-CG2 4.35Å; F236-V242 HydrophobicContact CD1-CB 4.18Å; F236-V242 HydrophobicContact CD1-CG1 4.11Å; F236-V242 HydrophobicContact CD1-CG2 4.01Å; F236-V242 HydrophobicContact CE1-CG1 4.1Å; F236-V242 HydrophobicContact CG-CG2 4.38Å; R239-V242 HydrophobicContact CB-CG2 3.98Å; V242-Y409 HydrophobicContact CG1-CE1 4.3Å; V242-Y409 HydrophobicContact CG2-CD1 4.2Å; V242-Y409 HydrophobicContact CG2-CE1 4.09Å
243	P	97.6	Very high	96.6	Very high	15 Å²	15	26.1 Å²	26.1	10%	0.097	14%	0.135	C	C	.	.			trans	-68.4	149.5	-178.7	-19.3	34.1	0	0	0	113	L88 P94 F95 Y96 D241 L269	L88-P243 HydrophobicContact CD1-CB 4.01Å; L88-P243 HydrophobicContact CD1-CG 3.56Å; P94-P243 VanDerWaalsContact O-CD 3.31Å; P94-P243 WeakPolarHBondContact O-CD 3.22Å; F95-P243 CarbonylContact C-O 3.58Å; F95-P243 VanDerWaalsContact CA-O 3.3Å; F95-P243 WeakPolarHBondContact CA-O 3.41Å; F95-P243 HydrophobicContact CB-CB 4.37Å; F95-P243 WeakPolarHBondContact CB-O 3.38Å; Y96-P243 WeakPolarHBondContact CD1-O 3.44Å; Y96-P243 PolarHBondContact N-O 2.89Å; D241-P243 VanDerWaalsContact O-CD 3.31Å; D241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-L269 HydrophobicContact CB-CD1 4.34Å; P243-L269 HydrophobicContact CG-CD1 3.72Å
244	C	98.6	Very high	96.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.3	-178.8	-174.3	0	0	0	0	111.3	Y96 Y98 C227 P271 S272	Y96-C244 HydrophobicContact CD1-CB 4.22Å; Y96-C244 HydrophobicContact CE1-CB 3.48Å; Y96-C244 VanDerWaalsContact CE1-CB 3.48Å; Y96-C244 HydrophobicContact CE2-CB 4.3Å; Y96-C244 VanDerWaalsContact CZ-SG 3.59Å; Y96-C244 WeakPolarHBondContact O-CA 3.45Å; Y98-C244 VanDerWaalsContact CB-SG 3.55Å; C227-C244 VanDerWaalsContact O-CB 3.29Å; C227-C244 WeakPolarHBondContact O-CB 3.37Å; C244-P271 HydrophobicContact CB-CB 4.21Å; C244-S272 PolarHBondContact O-N 3.38Å
245	L	98.8	Very high	96.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129	166.9	174	63.6	0	0	0	109.9	L82 V85 F95 Y96 L97 Y98 L122 P247 S272 I274	L82-L245 HydrophobicContact CD1-CD1 4.03Å; L82-L245 HydrophobicContact CD1-CD2 4.12Å; V85-L245 HydrophobicContact CG1-CB 4.47Å; V85-L245 HydrophobicContact CG1-CD2 4.46Å; V85-L245 HydrophobicContact CG2-CB 4.45Å; F95-L245 HydrophobicContact CD2-CB 4.11Å; F95-L245 HydrophobicContact CE2-CB 4.19Å; F95-L245 HydrophobicContact CE2-CD2 4.11Å; Y96-L245 PolarHBondContact O-N 2.83Å; L97-L245 WeakPolarHBondContact CA-O 3.29Å; L97-L245 HydrophobicContact CD2-CB 4.02Å; L97-L245 HydrophobicContact CD2-CD2 3.88Å; L97-L245 HydrophobicContact CD2-CG 4Å; Y98-L245 PolarHBondContact N-O 3.36Å; L122-L245 HydrophobicContact CD1-CD2 4.49Å; L245-P247 WeakPolarHBondContact O-CD 3.18Å; L245-S272 CarbonylContact C-O 3.42Å; L245-S272 WeakPolarHBondContact CA-O 3.44Å; L245-I274 HydrophobicContact CD1-CB 4.45Å; L245-I274 HydrophobicContact CD1-CG2 4.32Å
246	I	98.8	Very high	96.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103.5	-173.4	-51.2	176.2	0	0	0	111.5	Y98 C227 C248 F256 P271 S272 M273 I274	Y98-I246 HydrophobicContact CD1-CD1 3.81Å; Y98-I246 HydrophobicContact CD1-CG1 3.92Å; Y98-I246 HydrophobicContact CD1-CG2 4.46Å; Y98-I246 HydrophobicContact CE1-CD1 4.24Å; Y98-I246 VanDerWaalsContact O-CA 3.3Å; Y98-I246 WeakPolarHBondContact O-CA 3.48Å; Y98-I246 WeakPolarHBondContact O-CG2 3.47Å; C227-I246 WeakPolarHBondContact SG-CD1 3.44Å; I246-C248 HydrophobicContact CG2-CB 4.43Å; I246-F256 HydrophobicContact CD1-CB 4.37Å; I246-F256 HydrophobicContact CD1-CD1 3.57Å; I246-F256 HydrophobicContact CD1-CD2 4.28Å; I246-F256 HydrophobicContact CD1-CE1 3.88Å; I246-F256 HydrophobicContact CD1-CG 3.8Å; I246-F256 HydrophobicContact CD1-CZ 4.34Å; I246-F256 HydrophobicContact CG2-CD2 4.03Å; I246-F256 HydrophobicContact CG2-CE1 4.4Å; I246-F256 HydrophobicContact CG2-CE2 3.61Å; I246-F256 HydrophobicContact CG2-CZ 3.83Å; I246-P271 HydrophobicContact CD1-CB 3.75Å; I246-P271 HydrophobicContact CD1-CG 4.35Å; I246-P271 HydrophobicContact CG1-CB 4.38Å; I246-S272 PolarHBondContact N-O 3.24Å; I246-M273 HydrophobicContact CB-CG 4.19Å; I246-M273 WeakPolarHBondContact O-CA 3.49Å; I246-I274 PolarHBondContact O-N 2.93Å
247	P	98.7	Very high	96.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.8	168.4	-9.9	28.6	0	0	0	110.4	F76 L97 Y98 T99 F118 T119 L122 L245 I274	F76-P247 HydrophobicContact CE1-CB 4.41Å; L97-P247 HydrophobicContact CD2-CG 4.16Å; Y98-P247 VanDerWaalsContact O-CD 3.22Å; Y98-P247 WeakPolarHBondContact O-CD 3.28Å; T99-P247 PolarHBondContact OG1-O 3.42Å; F118-P247 HydrophobicContact CD1-CB 4.37Å; T119-P247 HydrophobicContact CG2-CG 4.36Å; T119-P247 WeakPolarHBondContact OG1-CB 3.25Å; L122-P247 HydrophobicContact CD1-CB 4.19Å; L122-P247 HydrophobicContact CD1-CG 3.57Å; L245-P247 WeakPolarHBondContact O-CD 3.18Å; P247-I274 WeakPolarHBondContact CA-O 3.05Å; P247-I274 HydrophobicContact CB-CG2 3.82Å; P247-I274 HydrophobicContact CG-CG2 4.11Å
248	C	97.9	Very high	96.8	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.054	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	171	179.2	57.3	0	0	0	0	111.7	I246 Q252 F256 I274 Y275 S276	I246-C248 HydrophobicContact CG2-CB 4.43Å; C248-Q252 HydrophobicContact CB-CB 4.12Å; C248-Q252 HydrophobicContact CB-CG 4.22Å; C248-F256 HydrophobicContact CB-CE2 4.4Å; C248-I274 PolarHBondContact N-O 2.88Å; C248-I274 VanDerWaalsContact N-O 3.13Å; C248-Y275 CarbonylContact O-C 3.59Å; C248-Y275 WeakPolarHBondContact O-CA 3.4Å; C248-Y275 VanDerWaalsContact SG-CD1 3.59Å; C248-S276 PolarHBondContact O-N 3.07Å; C248-S276 PolarHBondContact O-OG 3.48Å; C248-S276 VanDerWaalsContact O-OG 3.12Å
249	A	96.5	Very high	97	Very high	19 Å²	19	17.7 Å²	17.7	16%	0.157	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151	163.2	0	0	0	0	0	109.5	D251 Q252 S276 F278	A249-D251 WeakPolarHBondContact CB-OD1 3.37Å; A249-D251 PolarHBondContact O-N 3.48Å; A249-Q252 PolarHBondContact O-N 3.44Å; A249-Q252 VanDerWaalsContact O-N 3.09Å; A249-S276 VanDerWaalsContact CA-OG 3.31Å; A249-S276 WeakPolarHBondContact CA-OG 3.35Å; A249-F278 HydrophobicContact CB-CD1 4.21Å; A249-F278 HydrophobicContact CB-CE1 3.99Å
250	I	96.1	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17	-173	-167.3	160.6	0	0	0	114.2	L42 F46 F77 Q252 D253 Y275 S276 F278	L42-I250 HydrophobicContact CD2-CB 4.46Å; L42-I250 HydrophobicContact CD2-CD1 3.78Å; L42-I250 HydrophobicContact CD2-CG1 4.16Å; L42-I250 HydrophobicContact CD2-CG2 3.55Å; L42-I250 HydrophobicContact CG-CD1 3.89Å; F46-I250 HydrophobicContact CD2-CD1 4.21Å; F46-I250 HydrophobicContact CD2-CG1 3.87Å; F46-I250 HydrophobicContact CE2-CG1 4.1Å; F77-I250 HydrophobicContact CE1-CB 4.4Å; F77-I250 HydrophobicContact CE1-CD1 4.25Å; F77-I250 HydrophobicContact CE1-CG2 4.49Å; F77-I250 HydrophobicContact CE2-CD1 4.35Å; F77-I250 HydrophobicContact CZ-CB 4.42Å; F77-I250 HydrophobicContact CZ-CD1 3.53Å; F77-I250 HydrophobicContact CZ-CG2 4.44Å; I250-Q252 PolarHBondContact O-N 3.03Å; I250-D253 WeakPolarHBondContact O-CB 3.38Å; I250-D253 PolarHBondContact O-N 3.27Å; I250-D253 VanDerWaalsContact O-N 3.17Å; I250-Y275 HydrophobicContact CB-CG 4.34Å; I250-Y275 HydrophobicContact CG1-CG 4.24Å; I250-S276 PolarHBondContact N-O 2.88Å; I250-S276 VanDerWaalsContact N-O 3.14Å; I250-F278 HydrophobicContact CG2-CE1 4.16Å; I250-F278 HydrophobicContact CG2-CE2 3.72Å; I250-F278 HydrophobicContact CG2-CZ 3.38Å
251	D	94.3	Very high	97.3	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.027	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.8	-16.9	174.9	64.1	-19	0	0	0	114	V24 T25 P26 V29 A249 P254 F278 K288	V24-D251 HydrophobicContact CG1-CB 4.12Å; T25-D251 WeakPolarHBondContact O-CB 3.41Å; P26-D251 WeakPolarHBondContact CA-O 3.27Å; P26-D251 WeakPolarHBondContact CG-O 3.31Å; V29-D251 HydrophobicContact CG2-CB 4.37Å; A249-D251 WeakPolarHBondContact CB-OD1 3.37Å; A249-D251 PolarHBondContact O-N 3.48Å; D251-P254 VanDerWaalsContact O-CD 3.3Å; D251-P254 WeakPolarHBondContact O-CD 2.91Å; D251-F278 HydrophobicContact CB-CE1 3.63Å; D251-F278 HydrophobicContact CB-CZ 3.72Å; D251-K288 IonicContact OD2-NZ 2.83Å; D251-K288 PolarHBondContact OD2-NZ 3.29Å
252	Q	97.1	Very high	97.5	Very high	43 Å²	43	13.3 Å²	13.3	20%	0.201	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-86.4	-9.6	175.4	-54.6	-51.3	-53.3	0	0	113.7	C248 A249 I250 P254 Y255 F256	C248-Q252 HydrophobicContact CB-CB 4.12Å; C248-Q252 HydrophobicContact CB-CG 4.22Å; A249-Q252 PolarHBondContact O-N 3.44Å; A249-Q252 VanDerWaalsContact O-N 3.09Å; I250-Q252 PolarHBondContact O-N 3.03Å; Q252-P254 VanDerWaalsContact C-N 3.26Å; Q252-P254 VanDerWaalsContact O-N 3.13Å; Q252-Y255 PolarHBondContact O-N 2.85Å; Q252-Y255 VanDerWaalsContact O-N 3.09Å; Q252-F256 HydrophobicContact CB-CD2 4.28Å; Q252-F256 HydrophobicContact CB-CE2 3.74Å; Q252-F256 WeakPolarHBondContact O-CD2 3.49Å
253	D	97.3	Very high	97.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-48.9	-39.4	178.1	-177.9	70.7	0	0	0	113.7	F46 R80 I250 Y255 F256 R257 Y275	F46-D253 HydrophobicContact CD2-CB 3.81Å; F46-D253 HydrophobicContact CE2-CB 4.12Å; R80-D253 IonicContact CZ-OD1 2.77Å; R80-D253 IonicContact CZ-OD2 3.19Å; R80-D253 IonicContact NE-OD1 3.94Å; R80-D253 PolarHBondContact NE-OD1 3.42Å; R80-D253 IonicContact NH2-OD1 2.65Å; R80-D253 PolarHBondContact NH2-OD1 3.13Å; R80-D253 VanDerWaalsContact NH2-OD1 3.15Å; R80-D253 IonicContact NH2-OD2 3.78Å; R80-D253 PolarHBondContact NH2-OD2 2.65Å; I250-D253 WeakPolarHBondContact O-CB 3.38Å; I250-D253 PolarHBondContact O-N 3.27Å; I250-D253 VanDerWaalsContact O-N 3.17Å; D253-Y255 VanDerWaalsContact C-N 3.3Å; D253-Y255 PolarHBondContact O-N 3.22Å; D253-F256 PolarHBondContact O-N 3.41Å; D253-R257 VanDerWaalsContact O-CB 3.24Å; D253-R257 WeakPolarHBondContact O-CB 3.5Å; D253-R257 PolarHBondContact O-N 2.93Å; D253-Y275 HydrophobicContact CB-CE1 4.06Å; D253-Y275 PolarHBondContact OD1-OH 3.28Å
254	P	97	Very high	97.5	Very high	5 Å²	5	16 Å²	16	3%	0.032	9%	0.085	C	C	.	.	H	α-helix	trans	-55.1	-39	178.4	-29.5	39	0	0	0	114.7	P26 I205 F206 D251 Q252 M258	P26-P254 HydrophobicContact CG-CG 4.43Å; I205-P254 HydrophobicContact CG2-CB 3.72Å; F206-P254 HydrophobicContact CD1-CB 4.42Å; F206-P254 HydrophobicContact CE1-CB 3.93Å; D251-P254 VanDerWaalsContact O-CD 3.3Å; D251-P254 WeakPolarHBondContact O-CD 2.91Å; Q252-P254 VanDerWaalsContact C-N 3.26Å; Q252-P254 VanDerWaalsContact O-N 3.13Å; P254-M258 PolarHBondContact O-N 3.36Å
255	Y	98.1	Very high	97.4	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-48	176.5	-73.3	-72.1	0	0	0	111.7	P26 F206 F219 P220 E223 Q252 D253 M258 A259	P26-Y255 HydrophobicContact CB-CE2 3.79Å; P26-Y255 HydrophobicContact CG-CD2 4.14Å; P26-Y255 HydrophobicContact CG-CE2 3.72Å; F206-Y255 HydrophobicContact CD1-CE1 4.33Å; F206-Y255 AromaticContact CE1-CD1 3.54Å; F206-Y255 HydrophobicContact CE1-CD1 3.54Å; F206-Y255 HydrophobicContact CE1-CD2 4.11Å; F206-Y255 AromaticContact CE1-CE1 3.51Å; F206-Y255 HydrophobicContact CE1-CE1 3.51Å; F206-Y255 HydrophobicContact CE1-CE2 4.11Å; F206-Y255 AromaticContact CE1-CG 3.83Å; F206-Y255 HydrophobicContact CE1-CG 3.83Å; F206-Y255 AromaticContact CE1-CZ 3.82Å; F206-Y255 HydrophobicContact CE2-CD1 4.47Å; F206-Y255 AromaticContact CZ-CD1 3.39Å; F206-Y255 HydrophobicContact CZ-CD1 3.39Å; F206-Y255 AromaticContact CZ-CE1 3.65Å; F206-Y255 HydrophobicContact CZ-CE1 3.65Å; F206-Y255 AromaticContact CZ-CG 3.95Å; F206-Y255 HydrophobicContact CZ-CG 3.95Å; F219-Y255 HydrophobicContact CD1-CE1 4.21Å; F219-Y255 HydrophobicContact CE1-CE1 4.17Å; P220-Y255 HydrophobicContact CB-CD1 3.97Å; P220-Y255 HydrophobicContact CB-CE1 3.93Å; P220-Y255 HydrophobicContact CG-CD1 4.5Å; P220-Y255 HydrophobicContact CG-CE1 3.99Å; E223-Y255 HydrophobicContact CB-CD1 3.96Å; E223-Y255 HydrophobicContact CB-CE1 4.35Å; E223-Y255 HydrophobicContact CB-CG 4.33Å; E223-Y255 HydrophobicContact CG-CD1 4.12Å; E223-Y255 HydrophobicContact CG-CD2 4.34Å; E223-Y255 HydrophobicContact CG-CG 3.98Å; Q252-Y255 PolarHBondContact O-N 2.85Å; Q252-Y255 VanDerWaalsContact O-N 3.09Å; D253-Y255 VanDerWaalsContact C-N 3.3Å; D253-Y255 PolarHBondContact O-N 3.22Å; Y255-M258 WeakPolarHBondContact O-CB 3.27Å; Y255-M258 PolarHBondContact O-N 3.33Å; Y255-A259 PolarHBondContact O-N 2.92Å
256	F	98.1	Very high	97.3	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-81.1	-24.6	-173.6	-52.6	-51.4	0	0	0	112.5	Y98 E223 I246 C248 Q252 D253 A259 R260 M273	Y98-F256 AromaticContact CE1-CE1 3.66Å; Y98-F256 HydrophobicContact CE1-CE1 3.66Å; Y98-F256 HydrophobicContact CE1-CZ 4.1Å; E223-F256 HydrophobicContact CG-CE1 4.25Å; E223-F256 HydrophobicContact CG-CZ 4.43Å; I246-F256 HydrophobicContact CD1-CB 4.37Å; I246-F256 HydrophobicContact CD1-CD1 3.57Å; I246-F256 HydrophobicContact CD1-CD2 4.28Å; I246-F256 HydrophobicContact CD1-CE1 3.88Å; I246-F256 HydrophobicContact CD1-CG 3.8Å; I246-F256 HydrophobicContact CD1-CZ 4.34Å; I246-F256 HydrophobicContact CG2-CD2 4.03Å; I246-F256 HydrophobicContact CG2-CE1 4.4Å; I246-F256 HydrophobicContact CG2-CE2 3.61Å; I246-F256 HydrophobicContact CG2-CZ 3.83Å; C248-F256 HydrophobicContact CB-CE2 4.4Å; Q252-F256 HydrophobicContact CB-CD2 4.28Å; Q252-F256 HydrophobicContact CB-CE2 3.74Å; Q252-F256 WeakPolarHBondContact O-CD2 3.49Å; D253-F256 PolarHBondContact O-N 3.41Å; F256-A259 PolarHBondContact O-N 3.2Å; F256-R260 WeakPolarHBondContact O-CB 3.44Å; F256-R260 VanDerWaalsContact O-CG 3.26Å; F256-R260 WeakPolarHBondContact O-CG 3.23Å; F256-R260 PolarHBondContact O-N 3.4Å; F256-M273 VanDerWaalsContact C-CE 3.48Å; F256-M273 HydrophobicContact CB-CE 3.25Å; F256-M273 HydrophobicContact CB-CG 4.14Å; F256-M273 HydrophobicContact CB-SD 4.33Å
257	R	96.9	Very high	97.1	Very high	56 Å²	56	26.2 Å²	26.2	21%	0.211	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-45.5	166.5	-172.8	173.7	66.8	177.9	2.2	110.5	D253 A259 R260 D261	D253-R257 VanDerWaalsContact O-CB 3.24Å; D253-R257 WeakPolarHBondContact O-CB 3.5Å; D253-R257 PolarHBondContact O-N 2.93Å; R257-A259 PolarHBondContact O-N 3.03Å; R257-R260 PolarHBondContact O-N 2.66Å; R257-D261 PolarHBondContact O-N 3.36Å; R257-D261 VanDerWaalsContact O-N 3.15Å
258	M	97.8	Very high	97	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-45	171.7	-173.4	-161.6	71.4	0	0	111.5	I193 V197 V202 I205 F206 P220 A224 P254 Y255 R260 D261 V262	I193-M258 HydrophobicContact CG2-CE 4.38Å; V197-M258 HydrophobicContact CB-SD 4.46Å; V197-M258 HydrophobicContact CG1-CG 4.36Å; V197-M258 HydrophobicContact CG1-SD 3.77Å; V197-M258 HydrophobicContact CG2-CE 4.48Å; V197-M258 HydrophobicContact CG2-CG 4.03Å; V197-M258 HydrophobicContact CG2-SD 3.91Å; V202-M258 HydrophobicContact CG1-SD 4.33Å; I205-M258 HydrophobicContact CD1-CB 4.09Å; I205-M258 HydrophobicContact CD1-CG 4.14Å; F206-M258 HydrophobicContact CE2-SD 4.06Å; P220-M258 HydrophobicContact CB-CE 3.63Å; P220-M258 HydrophobicContact CB-SD 3.79Å; P220-M258 VanDerWaalsContact O-CE 3.29Å; P220-M258 WeakPolarHBondContact O-CE 3.45Å; A224-M258 HydrophobicContact CB-CE 3.93Å; P254-M258 PolarHBondContact O-N 3.36Å; Y255-M258 WeakPolarHBondContact O-CB 3.27Å; Y255-M258 PolarHBondContact O-N 3.33Å; M258-R260 VanDerWaalsContact C-N 3.32Å; M258-R260 PolarHBondContact O-N 3.01Å; M258-D261 PolarHBondContact O-N 3.29Å; M258-V262 WeakPolarHBondContact O-CG2 3.44Å; M258-V262 PolarHBondContact O-N 3.4Å; M258-V262 VanDerWaalsContact O-N 3.14Å
259	A	98.1	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-41	177.8	0	0	0	0	0	112.4	A224 Y255 F256 R257 D261 V262 A263 P271	A224-A259 HydrophobicContact CB-CB 3.81Å; Y255-A259 PolarHBondContact O-N 2.92Å; F256-A259 PolarHBondContact O-N 3.2Å; R257-A259 PolarHBondContact O-N 3.03Å; A259-D261 PolarHBondContact O-N 3.47Å; A259-V262 PolarHBondContact O-N 3.12Å; A259-A263 WeakPolarHBondContact O-CB 3.41Å; A259-A263 PolarHBondContact O-N 2.91Å; A259-P271 HydrophobicContact CB-CG 4.33Å
260	R	98.2	Very high	97	Very high	27 Å²	27	34.5 Å²	34.5	10%	0.102	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-34.8	176	-73.5	175.1	62	75.4	4.5	113.5	E81 F256 R257 M258 V262 P264 K270 P271 M273	E81-R260 VanDerWaalsContact CD-NH1 3.33Å; E81-R260 IonicContact OE1-CZ 2.72Å; E81-R260 IonicContact OE1-NH1 2.62Å; E81-R260 IonicContact OE1-NH2 2.74Å; E81-R260 PolarHBondContact OE1-NH2 2.84Å; E81-R260 IonicContact OE2-CZ 3.07Å; E81-R260 IonicContact OE2-NH1 3.66Å; E81-R260 PolarHBondContact OE2-NH1 3.12Å; E81-R260 IonicContact OE2-NH2 3.59Å; E81-R260 PolarHBondContact OE2-NH2 2.97Å; F256-R260 WeakPolarHBondContact O-CB 3.44Å; F256-R260 VanDerWaalsContact O-CG 3.26Å; F256-R260 WeakPolarHBondContact O-CG 3.23Å; F256-R260 PolarHBondContact O-N 3.4Å; R257-R260 PolarHBondContact O-N 2.66Å; M258-R260 VanDerWaalsContact C-N 3.32Å; M258-R260 PolarHBondContact O-N 3.01Å; R260-V262 VanDerWaalsContact C-N 3.34Å; R260-P264 VanDerWaalsContact O-CD 3.25Å; R260-P264 WeakPolarHBondContact O-CD 3.31Å; R260-K270 HydrophobicContact CB-CD 4.44Å; R260-K270 HydrophobicContact CB-CG 4.46Å; R260-K270 HydrophobicContact CG-CB 4.2Å; R260-P271 HydrophobicContact CG-CG 3.86Å; R260-P271 PolarHBondContact NH1-O 2.91Å; R260-M273 HydrophobicContact CG-CE 3.95Å; R260-M273 HydrophobicContact CG-SD 4.47Å
261	D	97.2	Very high	97.1	Very high	78 Å²	78	34.5 Å²	34.5	42%	0.417	19%	0.185	S	C	.	.	H	α-helix	trans	-73.4	-29.6	177.4	-70	-18.7	0	0	0	112.2	R257 M258 A259	R257-D261 PolarHBondContact O-N 3.36Å; R257-D261 VanDerWaalsContact O-N 3.15Å; M258-D261 PolarHBondContact O-N 3.29Å; A259-D261 PolarHBondContact O-N 3.47Å
262	V	97.3	Very high	97.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-84.3	-34.4	179.3	175.7	0	0	0	0	112.2	I193 N196 V197 M258 A259 R260 K265 L266	I193-V262 HydrophobicContact CB-CG1 4.41Å; I193-V262 HydrophobicContact CG1-CG1 4.22Å; I193-V262 HydrophobicContact CG2-CG1 4.27Å; N196-V262 HydrophobicContact CB-CG1 3.89Å; N196-V262 HydrophobicContact CB-CG2 4.43Å; V197-V262 HydrophobicContact CG2-CG2 3.39Å; M258-V262 WeakPolarHBondContact O-CG2 3.44Å; M258-V262 PolarHBondContact O-N 3.4Å; M258-V262 VanDerWaalsContact O-N 3.14Å; A259-V262 PolarHBondContact O-N 3.12Å; R260-V262 VanDerWaalsContact C-N 3.34Å; V262-K265 WeakPolarHBondContact O-CB 3.35Å; V262-K265 PolarHBondContact O-N 3.08Å; V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 3.98Å; V262-L266 PolarHBondContact O-N 3.1Å
263	A	98	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-49.9	-49.2	-172.8	0	0	0	0	0	114.1	F228 A259 K265 L266 G267 F268 K270	F228-A263 HydrophobicContact CE1-CB 3.54Å; F228-A263 HydrophobicContact CZ-CB 3.92Å; A259-A263 WeakPolarHBondContact O-CB 3.41Å; A259-A263 PolarHBondContact O-N 2.91Å; A263-K265 VanDerWaalsContact C-N 3.27Å; A263-K265 PolarHBondContact O-N 3.46Å; A263-L266 PolarHBondContact O-N 3.32Å; A263-G267 PolarHBondContact O-N 2.71Å; A263-F268 CarbonylContact C-O 3.59Å; A263-F268 HydrophobicContact CB-CB 4.31Å; A263-F268 PolarHBondContact O-N 2.82Å; A263-K270 HydrophobicContact CB-CG 4.3Å
264	P	97	Very high	97.5	Very high	76 Å²	76	32.5 Å²	32.5	49%	0.494	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-63.9	-29.8	179.6	-21.3	34.3	0	0	0	113.6	R260 L266 G267 K270	R260-P264 VanDerWaalsContact O-CD 3.25Å; R260-P264 WeakPolarHBondContact O-CD 3.31Å; P264-L266 PolarHBondContact O-N 3.25Å; P264-G267 PolarHBondContact O-N 3.4Å; P264-K270 HydrophobicContact CG-CG 4.38Å
265	K	96.6	Very high	97.5	Very high	106 Å²	106	32.2 Å²	32.2	46%	0.461	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-70.3	-24.2	178	-57.4	179.1	-177.6	175.9	0	112.3	N196 V262 A263	N196-K265 HydrophobicContact CB-CD 4.23Å; V262-K265 WeakPolarHBondContact O-CB 3.35Å; V262-K265 PolarHBondContact O-N 3.08Å; A263-K265 VanDerWaalsContact C-N 3.27Å; A263-K265 PolarHBondContact O-N 3.46Å
266	L	95.7	Very high	97.5	Very high	46 Å²	46	32.2 Å²	32.2	24%	0.241	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-96.8	-1.7	176.8	-63.3	178.9	0	0	0	112.9	I193 N196 V262 A263 P264 F268	I193-L266 HydrophobicContact CG1-CD1 3.78Å; N196-L266 WeakPolarHBondContact ND2-CD2 3.35Å; V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 3.98Å; V262-L266 PolarHBondContact O-N 3.1Å; A263-L266 PolarHBondContact O-N 3.32Å; P264-L266 PolarHBondContact O-N 3.25Å; L266-F268 VanDerWaalsContact C-N 3.28Å; L266-F268 HydrophobicContact CB-CD2 3.56Å; L266-F268 HydrophobicContact CB-CE2 3.74Å; L266-F268 HydrophobicContact CB-CG 4.16Å; L266-F268 HydrophobicContact CB-CZ 4.45Å; L266-F268 HydrophobicContact CD1-CD2 4.02Å; L266-F268 HydrophobicContact CD1-CE2 3.92Å; L266-F268 HydrophobicContact CG-CD2 4.45Å; L266-F268 HydrophobicContact CG-CE2 4.45Å
267	G	95.9	Very high	97.4	Very high	66 Å²	66	32.6 Å²	32.6	68%	0.68	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	15.7	-174.4	0	0	0	0	0	114.1	A263 P264	A263-G267 PolarHBondContact O-N 2.71Å; P264-G267 PolarHBondContact O-N 3.4Å
268	F	96.5	Very high	97.2	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.127	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-96.4	160.4	179.5	-59.2	-35.5	0	0	0	112.6	N189 F228 S230 D240 A263 L266	N189-F268 WeakPolarHBondContact OD1-CZ 3.49Å; F228-F268 HydrophobicContact CB-CD2 3.97Å; F228-F268 HydrophobicContact CB-CE2 4.22Å; F228-F268 HydrophobicContact CB-CG 4.34Å; F228-F268 HydrophobicContact CD1-CB 3.51Å; F228-F268 AromaticContact CD1-CD2 3.58Å; F228-F268 HydrophobicContact CD1-CD2 3.58Å; F228-F268 AromaticContact CD1-CG 3.81Å; F228-F268 HydrophobicContact CD1-CG 3.81Å; F228-F268 AromaticContact CD2-CD2 3.76Å; F228-F268 HydrophobicContact CD2-CD2 3.76Å; F228-F268 HydrophobicContact CD2-CE2 4.1Å; F228-F268 HydrophobicContact CE1-CB 3.77Å; F228-F268 AromaticContact CE1-CD2 3.99Å; F228-F268 HydrophobicContact CE1-CD2 3.99Å; F228-F268 HydrophobicContact CE1-CG 4.33Å; F228-F268 HydrophobicContact CE2-CD2 4.14Å; F228-F268 HydrophobicContact CG-CB 4.24Å; F228-F268 AromaticContact CG-CD2 3.45Å; F228-F268 HydrophobicContact CG-CD2 3.45Å; F228-F268 VanDerWaalsContact CG-CD2 3.45Å; F228-F268 HydrophobicContact CG-CE2 4.03Å; F228-F268 HydrophobicContact CG-CG 4.03Å; F228-F268 HydrophobicContact CZ-CD2 4.25Å; S230-F268 WeakPolarHBondContact OG-CE1 3.25Å; S230-F268 WeakPolarHBondContact OG-CZ 3.48Å; D240-F268 HydrophobicContact CB-CD1 4.32Å; D240-F268 HydrophobicContact CB-CE1 4.16Å; A263-F268 CarbonylContact C-O 3.59Å; A263-F268 HydrophobicContact CB-CB 4.31Å; A263-F268 PolarHBondContact O-N 2.82Å; L266-F268 VanDerWaalsContact C-N 3.28Å; L266-F268 HydrophobicContact CB-CD2 3.56Å; L266-F268 HydrophobicContact CB-CE2 3.74Å; L266-F268 HydrophobicContact CB-CG 4.16Å; L266-F268 HydrophobicContact CB-CZ 4.45Å; L266-F268 HydrophobicContact CD1-CD2 4.02Å; L266-F268 HydrophobicContact CD1-CE2 3.92Å; L266-F268 HydrophobicContact CG-CD2 4.45Å; L266-F268 HydrophobicContact CG-CE2 4.45Å
269	L	96.6	Very high	96.9	Very high	85 Å²	85	31 Å²	31	45%	0.445	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-72.8	143.1	171.8	-57.6	-179.2	0	0	0	110.5	D241 P243	D241-L269 VanDerWaalsContact O-CD1 3.31Å; D241-L269 WeakPolarHBondContact O-CD1 3.23Å; P243-L269 HydrophobicContact CB-CD1 4.34Å; P243-L269 HydrophobicContact CG-CD1 3.72Å
270	K	98.1	Very high	96.6	Very high	87 Å²	87	31.3 Å²	31.3	38%	0.378	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-67.6	135	173.3	-67.4	-175.7	179.9	178.7	0	109.3	R260 A263 P264	R260-K270 HydrophobicContact CB-CD 4.44Å; R260-K270 HydrophobicContact CB-CG 4.46Å; R260-K270 HydrophobicContact CG-CB 4.2Å; A263-K270 HydrophobicContact CB-CG 4.3Å; P264-K270 HydrophobicContact CG-CG 4.38Å
271	P	98.3	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69	144.5	171.2	28.6	-34.7	0	0	0	110.5	C227 C244 I246 A259 R260	C227-P271 HydrophobicContact CB-CB 4.04Å; C227-P271 HydrophobicContact CB-CG 3.97Å; C244-P271 HydrophobicContact CB-CB 4.21Å; I246-P271 HydrophobicContact CD1-CB 3.75Å; I246-P271 HydrophobicContact CD1-CG 4.35Å; I246-P271 HydrophobicContact CG1-CB 4.38Å; A259-P271 HydrophobicContact CB-CG 4.33Å; R260-P271 HydrophobicContact CG-CG 3.86Å; R260-P271 PolarHBondContact NH1-O 2.91Å
272	S	98.6	Very high	96.1	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	155.4	167.6	-63.9	0	0	0	0	110	R80 E81 V85 C244 L245 I246	R80-S272 WeakPolarHBondContact O-CA 3.39Å; R80-S272 WeakPolarHBondContact O-CB 3.4Å; E81-S272 WeakPolarHBondContact O-CB 3.26Å; E81-S272 PolarHBondContact O-OG 2.79Å; V85-S272 WeakPolarHBondContact CG2-OG 3.29Å; C244-S272 PolarHBondContact O-N 3.38Å; L245-S272 CarbonylContact C-O 3.42Å; L245-S272 WeakPolarHBondContact CA-O 3.44Å; I246-S272 PolarHBondContact N-O 3.24Å
273	M	98.5	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.9	-177.1	-56.7	85.5	123.6	0	0	111.6	H79 R80 I246 F256 R260 Y275	H79-M273 CarbonylContact C-O 3.55Å; H79-M273 WeakPolarHBondContact CA-O 3.17Å; H79-M273 VanDerWaalsContact CB-O 3.23Å; H79-M273 WeakPolarHBondContact CB-O 3.39Å; R80-M273 HydrophobicContact CB-SD 3.88Å; R80-M273 VanDerWaalsContact CD-CE 3.47Å; R80-M273 HydrophobicContact CG-SD 4.43Å; R80-M273 PolarHBondContact N-O 2.79Å; R80-M273 PolarHBondContact O-N 2.98Å; I246-M273 HydrophobicContact CB-CG 4.19Å; I246-M273 WeakPolarHBondContact O-CA 3.49Å; F256-M273 VanDerWaalsContact C-CE 3.48Å; F256-M273 HydrophobicContact CB-CE 3.25Å; F256-M273 HydrophobicContact CB-CG 4.14Å; F256-M273 HydrophobicContact CB-SD 4.33Å; R260-M273 HydrophobicContact CG-CE 3.95Å; R260-M273 HydrophobicContact CG-SD 4.47Å; M273-Y275 HydrophobicContact CB-CD1 4.4Å; M273-Y275 HydrophobicContact CB-CE1 3.59Å; M273-Y275 HydrophobicContact CB-CE2 3.95Å; M273-Y275 WeakPolarHBondContact CB-OH 3.44Å; M273-Y275 VanDerWaalsContact CE-OH 3.23Å; M273-Y275 WeakPolarHBondContact CE-OH 3.23Å; M273-Y275 HydrophobicContact CG-CE1 4.11Å; M273-Y275 VanDerWaalsContact CG-OH 3.25Å; M273-Y275 WeakPolarHBondContact CG-OH 3.29Å
274	I	98.6	Very high	95.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.3	170.2	-169.2	171.3	0	0	0	108.7	I51 L71 F76 L82 F118 L122 L245 I246 P247 C248	I51-I274 HydrophobicContact CD1-CD1 3.77Å; I51-I274 HydrophobicContact CD1-CG1 3.71Å; L71-I274 HydrophobicContact CD2-CD1 4.06Å; F76-I274 HydrophobicContact CB-CD1 4.45Å; F76-I274 HydrophobicContact CB-CG1 4.41Å; F76-I274 HydrophobicContact CD1-CD1 4.45Å; F76-I274 HydrophobicContact CD1-CG1 3.88Å; F76-I274 HydrophobicContact CD1-CG2 4.37Å; F76-I274 HydrophobicContact CE1-CG2 4.41Å; L82-I274 HydrophobicContact CD2-CD1 3.83Å; L82-I274 HydrophobicContact CD2-CG1 4.31Å; F118-I274 HydrophobicContact CE1-CD1 3.62Å; F118-I274 HydrophobicContact CE1-CG1 4.25Å; F118-I274 HydrophobicContact CE1-CG2 4.05Å; F118-I274 HydrophobicContact CZ-CD1 3.78Å; L122-I274 HydrophobicContact CD1-CG2 4.27Å; L245-I274 HydrophobicContact CD1-CB 4.45Å; L245-I274 HydrophobicContact CD1-CG2 4.32Å; I246-I274 PolarHBondContact O-N 2.93Å; P247-I274 WeakPolarHBondContact CA-O 3.05Å; P247-I274 HydrophobicContact CB-CG2 3.82Å; P247-I274 HydrophobicContact CG-CG2 4.11Å; C248-I274 PolarHBondContact N-O 2.88Å; C248-I274 VanDerWaalsContact N-O 3.13Å
275	Y	98.3	Very high	94.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.2	-166.4	-59.1	-59	0	0	0	112.6	C48 F76 F77 A78 R80 C248 I250 D253 M273	C48-Y275 HydrophobicContact CB-CD2 4.48Å; C48-Y275 HydrophobicContact CB-CE2 4.28Å; C48-Y275 VanDerWaalsContact SG-CE2 3.56Å; F76-Y275 CarbonylContact C-O 3.56Å; F76-Y275 VanDerWaalsContact CA-O 3.29Å; F76-Y275 WeakPolarHBondContact CA-O 3.18Å; F76-Y275 VanDerWaalsContact CD1-C 3.45Å; F77-Y275 WeakPolarHBondContact CD1-O 3.41Å; F77-Y275 PolarHBondContact N-O 3.05Å; A78-Y275 HydrophobicContact CB-CD2 4.09Å; A78-Y275 PolarHBondContact O-N 2.99Å; R80-Y275 WeakPolarHBondContact CD-OH 3.47Å; R80-Y275 HydrophobicContact CG-CE2 4.15Å; R80-Y275 PolarHBondContact NE-OH 3.12Å; C248-Y275 CarbonylContact O-C 3.59Å; C248-Y275 WeakPolarHBondContact O-CA 3.4Å; C248-Y275 VanDerWaalsContact SG-CD1 3.59Å; I250-Y275 HydrophobicContact CB-CG 4.34Å; I250-Y275 HydrophobicContact CG1-CG 4.24Å; D253-Y275 HydrophobicContact CB-CE1 4.06Å; D253-Y275 PolarHBondContact OD1-OH 3.28Å; M273-Y275 HydrophobicContact CB-CD1 4.4Å; M273-Y275 HydrophobicContact CB-CE1 3.59Å; M273-Y275 HydrophobicContact CB-CE2 3.95Å; M273-Y275 WeakPolarHBondContact CB-OH 3.44Å; M273-Y275 VanDerWaalsContact CE-OH 3.23Å; M273-Y275 WeakPolarHBondContact CE-OH 3.23Å; M273-Y275 HydrophobicContact CG-CE1 4.11Å; M273-Y275 VanDerWaalsContact CG-OH 3.25Å; M273-Y275 WeakPolarHBondContact CG-OH 3.29Å
276	S	98	Very high	94.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.9	169.5	53.1	0	0	0	0	113.3	I75 C248 A249 I250	I75-S276 CarbonylContact O-C 3.42Å; I75-S276 WeakPolarHBondContact O-CA 3.48Å; C248-S276 PolarHBondContact O-N 3.07Å; C248-S276 PolarHBondContact O-OG 3.48Å; C248-S276 VanDerWaalsContact O-OG 3.12Å; A249-S276 VanDerWaalsContact CA-OG 3.31Å; A249-S276 WeakPolarHBondContact CA-OG 3.35Å; I250-S276 PolarHBondContact N-O 2.88Å; I250-S276 VanDerWaalsContact N-O 3.14Å
277	T	96.3	Very high	93.9	Very high	12 Å²	12	27.5 Å²	27.5	7%	0.074	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-65	167.4	161	56.8	0	0	0	0	110.9	Y39 I75 F77 Y344	Y39-T277 HydrophobicContact CD1-CG2 3.96Å; Y39-T277 HydrophobicContact CD2-CG2 3.78Å; Y39-T277 HydrophobicContact CE1-CG2 3.74Å; Y39-T277 HydrophobicContact CE2-CG2 3.54Å; Y39-T277 HydrophobicContact CG-CG2 3.99Å; Y39-T277 VanDerWaalsContact CZ-CB 3.43Å; Y39-T277 WeakPolarHBondContact OH-CB 3.36Å; I75-T277 PolarHBondContact O-N 3.29Å; I75-T277 PolarHBondContact O-OG1 3.5Å; F77-T277 HydrophobicContact CD1-CG2 3.61Å; F77-T277 HydrophobicContact CE1-CG2 3.94Å; F77-T277 HydrophobicContact CG-CG2 4.22Å; T277-Y344 PolarHBondContact OG1-OH 3.12Å
278	F	92.5	Very high	93.5	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.066	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-87.5	134.9	175	-54.3	-64.9	0	0	0	111.2	V24 V29 V37 Y39 A249 I250 D251 K288 Y344	V24-F278 HydrophobicContact CG1-CE2 4Å; V24-F278 HydrophobicContact CG1-CZ 3.69Å; V24-F278 HydrophobicContact CG2-CE2 4.34Å; V29-F278 HydrophobicContact CB-CE2 4.47Å; V29-F278 HydrophobicContact CG1-CD2 3.65Å; V29-F278 HydrophobicContact CG1-CE2 3.73Å; V29-F278 HydrophobicContact CG1-CG 4.25Å; V29-F278 HydrophobicContact CG1-CZ 4.39Å; V29-F278 HydrophobicContact CG2-CD1 4.24Å; V29-F278 HydrophobicContact CG2-CD2 4.25Å; V29-F278 HydrophobicContact CG2-CE1 3.86Å; V29-F278 HydrophobicContact CG2-CE2 3.86Å; V29-F278 HydrophobicContact CG2-CG 4.42Å; V29-F278 HydrophobicContact CG2-CZ 3.65Å; V37-F278 HydrophobicContact CG2-CD2 4.22Å; V37-F278 HydrophobicContact CG2-CE2 4.44Å; Y39-F278 HydrophobicContact CE1-CD2 4.05Å; Y39-F278 HydrophobicContact CE1-CE2 4.28Å; Y39-F278 PolarHBondContact OH-N 3.25Å; A249-F278 HydrophobicContact CB-CD1 4.21Å; A249-F278 HydrophobicContact CB-CE1 3.99Å; I250-F278 HydrophobicContact CG2-CE1 4.16Å; I250-F278 HydrophobicContact CG2-CE2 3.72Å; I250-F278 HydrophobicContact CG2-CZ 3.38Å; D251-F278 HydrophobicContact CB-CE1 3.63Å; D251-F278 HydrophobicContact CB-CZ 3.72Å; F278-K288 HydrophobicContact CB-CB 3.95Å; F278-K288 HydrophobicContact CD1-CB 4.45Å; F278-K288 HydrophobicContact CD1-CD 4.24Å; F278-K288 HydrophobicContact CG-CB 4.29Å; F278-Y344 VanDerWaalsContact C-OH 3.29Å; F278-Y344 PolarHBondContact O-OH 3.3Å
279	I	91.6	Very high	92.7	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.062	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-65.8	129.4	161.5	-161.5	168.3	0	0	0	108.2	L110 K288 M289 Y341 Y344 F345	L110-I279 HydrophobicContact CB-CD1 4.47Å; I279-K288 WeakPolarHBondContact O-CA 2.9Å; I279-M289 HydrophobicContact CD1-CE 4.19Å; I279-M289 HydrophobicContact CG2-CB 3.58Å; I279-M289 HydrophobicContact CG2-CE 4.35Å; I279-M289 HydrophobicContact CG2-SD 4.35Å; I279-M289 PolarHBondContact O-N 2.96Å; I279-Y341 HydrophobicContact CD1-CD1 4.17Å; I279-Y341 HydrophobicContact CD1-CE1 4.05Å; I279-Y341 HydrophobicContact CD1-CG 4.45Å; I279-Y341 HydrophobicContact CG1-CD1 3.98Å; I279-Y341 HydrophobicContact CG1-CE1 3.66Å; I279-Y344 HydrophobicContact CG1-CD2 4.29Å; I279-Y344 HydrophobicContact CG1-CE2 4.36Å; I279-F345 HydrophobicContact CD1-CE2 3.68Å; I279-F345 HydrophobicContact CD1-CZ 3.88Å
280	P	91.4	Very high	92	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.052	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	156.6	-177.4	19.5	-17.1	0	0	0	111.5	A285 I337 Q340 Y341	P280-A285 HydrophobicContact CB-CB 4.04Å; P280-I337 HydrophobicContact CB-CD1 3.79Å; P280-I337 HydrophobicContact CG-CD1 3.89Å; P280-Q340 HydrophobicContact CG-CB 4.29Å; P280-Y341 HydrophobicContact CG-CD1 4.4Å; P280-Y341 HydrophobicContact CG-CE1 4Å; P280-Y341 VanDerWaalsContact O-CE1 3.23Å; P280-Y341 WeakPolarHBondContact O-CE1 3.28Å; P280-Y341 PolarHBondContact O-OH 2.89Å
281	S	92.5	Very high	90.9	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	154.7	171.2	75.8	0	0	0	0	111	Q283 G284 T287	S281-Q283 PolarHBondContact O-N 3.38Å; S281-G284 PolarHBondContact N-O 3.39Å; S281-G284 PolarHBondContact O-N 3.34Å; S281-G284 VanDerWaalsContact O-N 3.12Å; S281-G284 PolarHBondContact OG-N 2.95Å; S281-G284 PolarHBondContact OG-O 2.95Å; S281-T287 WeakPolarHBondContact CB-OG1 3.3Å; S281-T287 PolarHBondContact N-O 3.46Å; S281-T287 PolarHBondContact OG-OG1 2.93Å
282	L	92.2	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.5	174.9	-78.1	172.8	0	0	0	111.8	G284 N295 S296 I298 K310 Y314 A315 F316 Y341	L282-G284 VanDerWaalsContact C-N 3.26Å; L282-G284 PolarHBondContact O-N 2.81Å; L282-N295 WeakPolarHBondContact CD1-O 3.18Å; L282-S296 WeakPolarHBondContact CG-O 3.4Å; L282-S296 PolarHBondContact N-O 3.47Å; L282-I298 HydrophobicContact CD1-CG1 3.93Å; L282-I298 HydrophobicContact CD2-CD1 4.2Å; L282-I298 HydrophobicContact CD2-CG1 4.36Å; L282-I298 HydrophobicContact CG-CG1 4.48Å; L282-K310 HydrophobicContact CD1-CB 4.04Å; L282-Y314 CarbonylContact C-O 3.6Å; L282-Y314 VanDerWaalsContact C-O 3.26Å; L282-A315 HydrophobicContact CD2-CB 3.96Å; L282-A315 CarbonylContact O-C 3.26Å; L282-A315 VanDerWaalsContact O-CA 3.22Å; L282-A315 WeakPolarHBondContact O-CA 3.18Å; L282-F316 PolarHBondContact O-N 3.23Å; L282-Y341 HydrophobicContact CD2-CE2 3.82Å; L282-Y341 PolarHBondContact N-OH 3.33Å
283	Q	90.8	Very high	88.9	Confident	74 Å²	74	28.2 Å²	28.2	35%	0.346	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9	-176.8	-65.2	73.4	21.6	0	0	114.2	S281 N295 F316	S281-Q283 PolarHBondContact O-N 3.38Å; Q283-N295 VanDerWaalsContact NE2-C 3.27Å; Q283-N295 PolarHBondContact NE2-O 2.94Å; Q283-F316 WeakPolarHBondContact O-CB 3.13Å
284	G	89.6	Confident	88	Confident	11 Å²	11	31.8 Å²	31.8	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	169.7	179.9	0	0	0	0	0	114.2	S281 L282 K286	S281-G284 PolarHBondContact N-O 3.39Å; S281-G284 PolarHBondContact O-N 3.34Å; S281-G284 VanDerWaalsContact O-N 3.12Å; S281-G284 PolarHBondContact OG-N 2.95Å; S281-G284 PolarHBondContact OG-O 2.95Å; L282-G284 VanDerWaalsContact C-N 3.26Å; L282-G284 PolarHBondContact O-N 2.81Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.13Å
285	A	87.1	Confident	87.3	Confident	13 Å²	13	35 Å²	35	11%	0.107	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-4	-173.3	0	0	0	0	0	114.9	G36 P280 T287 I337	G36-A285 VanDerWaalsContact CA-O 3.3Å; G36-A285 WeakPolarHBondContact CA-O 3.41Å; P280-A285 HydrophobicContact CB-CB 4.04Å; A285-T287 PolarHBondContact O-N 3.26Å; A285-I337 HydrophobicContact CB-CD1 4.41Å
286	K	86.5	Confident	86.7	Confident	91 Å²	91	35.3 Å²	35.3	40%	0.396	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-25.4	178	-76.1	-176.3	175.4	162.8	0	114.1	V30 S31 S33 N34 G284	V30-K286 WeakPolarHBondContact CA-O 3.36Å; S31-K286 PolarHBondContact N-O 3.13Å; S33-K286 VanDerWaalsContact O-CG 3.28Å; S33-K286 WeakPolarHBondContact O-CG 3.37Å; N34-K286 WeakPolarHBondContact OD1-CE 3.1Å; N34-K286 PolarHBondContact OD1-NZ 3.28Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.13Å
287	T	84.7	Confident	86.3	Confident	63 Å²	63	35.2 Å²	35.2	39%	0.387	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.1	-179.6	65.7	0	0	0	0	109.9	S281 A285	S281-T287 WeakPolarHBondContact CB-OG1 3.3Å; S281-T287 PolarHBondContact N-O 3.46Å; S281-T287 PolarHBondContact OG-OG1 2.93Å; A285-T287 PolarHBondContact O-N 3.26Å
288	K	85.8	Confident	86.3	Confident	50 Å²	50	34.6 Å²	34.6	22%	0.217	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	153.5	171.4	67.8	173.6	174.5	173.3	0	110.8	V29 D251 F278 I279 S290	V29-K288 HydrophobicContact CB-CB 4.27Å; V29-K288 HydrophobicContact CB-CD 4.12Å; V29-K288 HydrophobicContact CB-CG 4Å; V29-K288 HydrophobicContact CG2-CD 3.71Å; V29-K288 HydrophobicContact CG2-CG 4.17Å; D251-K288 IonicContact OD2-NZ 2.83Å; D251-K288 PolarHBondContact OD2-NZ 3.29Å; F278-K288 HydrophobicContact CB-CB 3.95Å; F278-K288 HydrophobicContact CD1-CB 4.45Å; F278-K288 HydrophobicContact CD1-CD 4.24Å; F278-K288 HydrophobicContact CG-CB 4.29Å; I279-K288 WeakPolarHBondContact O-CA 2.9Å; K288-S290 PolarHBondContact O-N 3.32Å
289	M	81.6	Confident	86.4	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.039	20%	0.204	C	C	.	.			trans	-55	131	168.5	-175.1	-179.6	-67.7	0	0	110	H109 L110 I279 S297 Y341	H109-M289 HydrophobicContact CB-SD 3.87Å; H109-M289 PolarHBondContact ND1-SD 2.85Å; H109-M289 VanDerWaalsContact ND1-SD 3.44Å; L110-M289 HydrophobicContact CB-CE 4.37Å; L110-M289 HydrophobicContact CB-SD 4.33Å; I279-M289 HydrophobicContact CD1-CE 4.19Å; I279-M289 HydrophobicContact CG2-CB 3.58Å; I279-M289 HydrophobicContact CG2-CE 4.35Å; I279-M289 HydrophobicContact CG2-SD 4.35Å; I279-M289 PolarHBondContact O-N 2.96Å; M289-S297 WeakPolarHBondContact CG-OG 3.17Å; M289-Y341 HydrophobicContact CE-CE2 3.78Å; M289-Y341 WeakPolarHBondContact CE-OH 3.26Å
290	S	80.2	Confident	86.6	Confident	41 Å²	41	34.8 Å²	34.8	29%	0.287	20%	0.201	S	C	.	.			trans	-141.4	143.1	-176.5	175.2	0	0	0	0	111.4	K288 S292 S296 S297	K288-S290 PolarHBondContact O-N 3.32Å; S290-S292 PolarHBondContact O-N 3.36Å; S290-S292 VanDerWaalsContact O-N 3.16Å; S290-S292 PolarHBondContact OG-N 2.94Å; S290-S292 PolarHBondContact OG-OG 3.26Å; S290-S296 PolarHBondContact O-OG 2.92Å; S290-S296 VanDerWaalsContact O-OG 3.11Å; S290-S297 VanDerWaalsContact C-OG 3.3Å; S290-S297 PolarHBondContact N-OG 2.98Å; S290-S297 PolarHBondContact O-OG 3.1Å
291	A	76.8	Confident	86.8	Confident	25 Å²	25	38.3 Å²	38.3	21%	0.207	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.5	173.9	0	0	0	0	0	113.7	D293 Y299	A291-D293 PolarHBondContact O-N 3.46Å; A291-Y299 WeakPolarHBondContact CA-OH 3.46Å; A291-Y299 PolarHBondContact O-OH 3.31Å
292	S	75.1	Confident	86.9	Confident	103 Å²	103	38.8 Å²	38.8	72%	0.72	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.4	-178.3	56.3	0	0	0	0	114.5	S290	S290-S292 PolarHBondContact O-N 3.36Å; S290-S292 VanDerWaalsContact O-N 3.16Å; S290-S292 PolarHBondContact OG-N 2.94Å; S290-S292 PolarHBondContact OG-OG 3.26Å
293	D	78.3	Confident	87.1	Confident	61 Å²	61	41.3 Å²	41.3	33%	0.326	24%	0.243	S	C	.	.	S	Bend	trans	-117.3	107.1	171.6	174.7	6.9	0	0	0	109.3	A291 N295 S296	A291-D293 PolarHBondContact O-N 3.46Å; D293-N295 PolarHBondContact O-N 2.88Å; D293-N295 VanDerWaalsContact O-N 3.08Å; D293-N295 WeakPolarHBondContact OD1-CB 3.41Å; D293-N295 PolarHBondContact OD1-N 2.99Å; D293-S296 WeakPolarHBondContact O-CB 3.28Å; D293-S296 PolarHBondContact O-N 3.47Å; D293-S296 PolarHBondContact O-OG 3.35Å
294	P	79.9	Confident	87.5	Confident	74 Å²	74	40.4 Å²	40.4	48%	0.481	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.7	179.4	-26	34.6	0	0	0	115	K310	P294-K310 WeakPolarHBondContact O-CE 3.45Å; P294-K310 PolarHBondContact O-NZ 2.93Å
295	N	85.1	Confident	87.9	Confident	69 Å²	69	43.1 Å²	43.1	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.6	177.5	-60.4	-53.4	0	0	0	112.6	L282 Q283 D293 Y314	L282-N295 WeakPolarHBondContact CD1-O 3.18Å; Q283-N295 VanDerWaalsContact NE2-C 3.27Å; Q283-N295 PolarHBondContact NE2-O 2.94Å; D293-N295 PolarHBondContact O-N 2.88Å; D293-N295 VanDerWaalsContact O-N 3.08Å; D293-N295 WeakPolarHBondContact OD1-CB 3.41Å; D293-N295 PolarHBondContact OD1-N 2.99Å; N295-Y314 HydrophobicContact CB-CD2 4.29Å; N295-Y314 HydrophobicContact CB-CE1 4.38Å; N295-Y314 HydrophobicContact CB-CE2 4.22Å; N295-Y314 HydrophobicContact CB-CG 4.46Å
296	S	84.6	Confident	88.3	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.042	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.9	177.5	76.4	0	0	0	0	114.3	L282 S290 D293	L282-S296 WeakPolarHBondContact CG-O 3.4Å; L282-S296 PolarHBondContact N-O 3.47Å; S290-S296 PolarHBondContact O-OG 2.92Å; S290-S296 VanDerWaalsContact O-OG 3.11Å; D293-S296 WeakPolarHBondContact O-CB 3.28Å; D293-S296 PolarHBondContact O-N 3.47Å; D293-S296 PolarHBondContact O-OG 3.35Å
297	S	90.5	Very high	88.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.261	C	S	.	.			trans	-124.9	145	-169.2	-66	0	0	0	0	112.1	M289 S290 K310	M289-S297 WeakPolarHBondContact CG-OG 3.17Å; S290-S297 VanDerWaalsContact C-OG 3.3Å; S290-S297 PolarHBondContact N-OG 2.98Å; S290-S297 PolarHBondContact O-OG 3.1Å; S297-K310 WeakPolarHBondContact O-CD 3.32Å; S297-K310 PolarHBondContact O-NZ 3.45Å
298	I	94.5	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.267	C	S	.	.			trans	-101.7	112.3	165.9	-56.5	178.3	0	0	0	107.3	H109 L110 L282 D302 I307 I311 Y341 V377	H109-I298 CarbonylContact C-O 3.5Å; H109-I298 VanDerWaalsContact CA-O 3.26Å; H109-I298 WeakPolarHBondContact CA-O 3.49Å; H109-I298 VanDerWaalsContact CB-O 3.23Å; H109-I298 WeakPolarHBondContact CB-O 3.36Å; L110-I298 HydrophobicContact CD1-CB 3.73Å; L110-I298 HydrophobicContact CD1-CD1 3.97Å; L110-I298 HydrophobicContact CD1-CG1 4.36Å; L110-I298 HydrophobicContact CD1-CG2 3.94Å; L110-I298 HydrophobicContact CG-CB 4.02Å; L110-I298 HydrophobicContact CG-CG2 4.16Å; L110-I298 PolarHBondContact N-O 2.83Å; L282-I298 HydrophobicContact CD1-CG1 3.93Å; L282-I298 HydrophobicContact CD2-CD1 4.2Å; L282-I298 HydrophobicContact CD2-CG1 4.36Å; L282-I298 HydrophobicContact CG-CG1 4.48Å; I298-D302 WeakPolarHBondContact CA-OD2 3.5Å; I298-I307 HydrophobicContact CG2-CG1 3.92Å; I298-I311 HydrophobicContact CD1-CD1 3.89Å; I298-I311 HydrophobicContact CD1-CG1 3.63Å; I298-Y341 HydrophobicContact CD1-CE2 4.28Å; I298-V377 HydrophobicContact CD1-CG1 4.37Å; I298-V377 HydrophobicContact CG2-CG1 4.11Å
299	Y	95	Very high	90.1	Very high	31 Å²	31	48 Å²	48	12%	0.122	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-81.7	152	-179.6	-67.6	-81.2	0	0	0	110.7	H109 A291 T301 D302	H109-Y299 HydrophobicContact CB-CD1 4.06Å; H109-Y299 HydrophobicContact CB-CE1 4.4Å; A291-Y299 WeakPolarHBondContact CA-OH 3.46Å; A291-Y299 PolarHBondContact O-OH 3.31Å; Y299-T301 PolarHBondContact O-N 3.04Å; Y299-D302 PolarHBondContact N-OD2 3.3Å; Y299-D302 WeakPolarHBondContact O-CB 3.48Å; Y299-D302 PolarHBondContact O-N 2.94Å
300	L	96.1	Very high	90.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.8	174.9	-56.5	-177.3	0	0	0	112.4	M108 L110 L113 V381 H384 N385	M108-L300 HydrophobicContact CB-CD1 3.71Å; M108-L300 HydrophobicContact CB-CG 4.3Å; M108-L300 WeakPolarHBondContact O-CG 3.2Å; M108-L300 PolarHBondContact O-N 3.29Å; L110-L300 HydrophobicContact CD2-CD2 4Å; L113-L300 HydrophobicContact CD1-CD1 4.22Å; L113-L300 HydrophobicContact CD1-CD2 3.53Å; L113-L300 HydrophobicContact CD2-CD1 3.7Å; L113-L300 HydrophobicContact CG-CD1 3.97Å; L113-L300 HydrophobicContact CG-CD2 3.99Å; L300-V381 HydrophobicContact CD2-CG2 4.41Å; L300-V381 VanDerWaalsContact O-CG1 3.29Å; L300-V381 WeakPolarHBondContact O-CG1 3.32Å; L300-H384 WeakPolarHBondContact CD1-NE2 3.42Å; L300-N385 PolarHBondContact O-ND2 3.41Å; L300-N385 PolarHBondContact O-OD1 2.79Å; L300-N385 VanDerWaalsContact O-OD1 3.12Å
301	T	95	Very high	91.6	Very high	82 Å²	82	46.2 Å²	46.2	50%	0.503	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.4	174	44.5	0	0	0	0	113.8	S107 Y299 S303	S107-T301 WeakPolarHBondContact CB-OG1 3.18Å; S107-T301 VanDerWaalsContact OG-CG2 3.28Å; S107-T301 WeakPolarHBondContact OG-CG2 3.33Å; S107-T301 PolarHBondContact OG-OG1 2.92Å; Y299-T301 PolarHBondContact O-N 3.04Å; T301-S303 PolarHBondContact O-N 3.45Å
302	D	95.9	Very high	92.6	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.064	28%	0.276	C	S	.	.			trans	-67.4	131.8	175.8	-79	-39.3	0	0	0	110.5	I298 Y299 Q306 I307 K310	I298-D302 WeakPolarHBondContact CA-OD2 3.5Å; Y299-D302 PolarHBondContact N-OD2 3.3Å; Y299-D302 WeakPolarHBondContact O-CB 3.48Å; Y299-D302 PolarHBondContact O-N 2.94Å; D302-Q306 HydrophobicContact CB-CB 3.93Å; D302-I307 HydrophobicContact CB-CG1 3.79Å; D302-K310 IonicContact OD1-NZ 2.73Å; D302-K310 PolarHBondContact OD1-NZ 3.43Å; D302-K310 IonicContact OD2-NZ 3.4Å; D302-K310 PolarHBondContact OD2-NZ 2.85Å
303	S	96.8	Very high	93.6	Very high	54 Å²	54	50.3 Å²	50.3	38%	0.378	27%	0.271	S	S	.	.			trans	-63.7	159.3	169.9	63.6	0	0	0	0	111.8	T301 A305 Q306 I307	T301-S303 PolarHBondContact O-N 3.45Å; S303-A305 PolarHBondContact O-N 3.22Å; S303-A305 VanDerWaalsContact O-N 3.1Å; S303-Q306 VanDerWaalsContact CB-OE1 3.3Å; S303-Q306 WeakPolarHBondContact O-CA 3.44Å; S303-Q306 WeakPolarHBondContact O-CB 3.35Å; S303-Q306 PolarHBondContact O-N 3.37Å; S303-Q306 WeakPolarHBondContact OG-CG 3.35Å; S303-Q306 PolarHBondContact OG-N 2.91Å; S303-Q306 PolarHBondContact OG-OE1 3.3Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.94Å
304	A	97.9	Very high	94.4	Very high	55 Å²	55	50.3 Å²	50.3	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-49.9	-39.9	174.3	0	0	0	0	0	112.8	K308 Q378	A304-K308 WeakPolarHBondContact O-CB 3.3Å; A304-K308 PolarHBondContact O-N 2.59Å; A304-Q378 HydrophobicContact CB-CG 4.24Å; A304-Q378 PolarHBondContact O-NE2 2.68Å
305	A	98	Very high	95.2	Very high	68 Å²	68	47 Å²	47	56%	0.562	25%	0.245	S	C	*	.	H	α-helix	trans	-68.3	-39.4	176.5	0	0	0	0	0	113	S303 R309	S303-A305 PolarHBondContact O-N 3.22Å; S303-A305 VanDerWaalsContact O-N 3.1Å; A305-R309 VanDerWaalsContact O-CB 3.3Å; A305-R309 WeakPolarHBondContact O-CB 3.44Å; A305-R309 PolarHBondContact O-N 2.85Å
306	Q	97	Very high	95.7	Very high	67 Å²	67	48.2 Å²	48.2	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-45.1	175	-75.9	163.1	-67.9	0	0	111.4	D302 S303 R309 K310	D302-Q306 HydrophobicContact CB-CB 3.93Å; S303-Q306 VanDerWaalsContact CB-OE1 3.3Å; S303-Q306 WeakPolarHBondContact O-CA 3.44Å; S303-Q306 WeakPolarHBondContact O-CB 3.35Å; S303-Q306 PolarHBondContact O-N 3.37Å; S303-Q306 WeakPolarHBondContact OG-CG 3.35Å; S303-Q306 PolarHBondContact OG-N 2.91Å; S303-Q306 PolarHBondContact OG-OE1 3.3Å; Q306-R309 PolarHBondContact O-N 3.01Å; Q306-K310 WeakPolarHBondContact O-CB 3.48Å; Q306-K310 WeakPolarHBondContact O-CG 3.38Å; Q306-K310 PolarHBondContact O-N 2.88Å
307	I	97.7	Very high	96.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-54	175.9	-66.1	167.3	0	0	0	110	I298 D302 S303 R309 K310 I311 V377 Q378 V381	I298-I307 HydrophobicContact CG2-CG1 3.92Å; D302-I307 HydrophobicContact CB-CG1 3.79Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.94Å; I307-R309 VanDerWaalsContact C-N 3.34Å; I307-R309 PolarHBondContact O-N 3.26Å; I307-K310 PolarHBondContact O-N 3.44Å; I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 PolarHBondContact O-N 3.03Å; I307-V377 HydrophobicContact CD1-CG1 4.35Å; I307-V377 HydrophobicContact CG2-CB 4.13Å; I307-V377 HydrophobicContact CG2-CG1 3.61Å; I307-Q378 HydrophobicContact CB-CG 4.32Å; I307-Q378 HydrophobicContact CD1-CG 4.23Å; I307-Q378 HydrophobicContact CG2-CG 4.03Å; I307-V381 HydrophobicContact CD1-CB 3.88Å; I307-V381 HydrophobicContact CD1-CG1 3.99Å; I307-V381 HydrophobicContact CD1-CG2 3.89Å
308	K	98.1	Very high	96.6	Very high	117 Å²	117	50 Å²	50	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-55.3	-48.4	177.9	177.5	174.9	-176.6	179.2	0	111.9	A304 N312 I374	A304-K308 WeakPolarHBondContact O-CB 3.3Å; A304-K308 PolarHBondContact O-N 2.59Å; K308-N312 WeakPolarHBondContact O-CB 3.4Å; K308-N312 PolarHBondContact O-N 3.48Å; K308-N312 PolarHBondContact O-ND2 3Å; K308-I374 HydrophobicContact CB-CD1 4.4Å; K308-I374 HydrophobicContact CB-CG2 4.13Å; K308-I374 HydrophobicContact CG-CD1 4Å; K308-I374 HydrophobicContact CG-CG2 4.5Å
309	R	97.5	Very high	96.7	Very high	133 Å²	133	50.9 Å²	50.9	50%	0.502	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-45.1	179.8	-176.3	-176.8	67.6	-139.3	2.9	111.5	A305 Q306 I307 K313	A305-R309 VanDerWaalsContact O-CB 3.3Å; A305-R309 WeakPolarHBondContact O-CB 3.44Å; A305-R309 PolarHBondContact O-N 2.85Å; Q306-R309 PolarHBondContact O-N 3.01Å; I307-R309 VanDerWaalsContact C-N 3.34Å; I307-R309 PolarHBondContact O-N 3.26Å; R309-K313 WeakPolarHBondContact O-CB 3.28Å; R309-K313 PolarHBondContact O-N 3.23Å
310	K	97.1	Very high	96.8	Very high	12 Å²	12	54 Å²	54	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-46.8	-178.3	-77.9	-178.8	173.6	-177.4	0	111.8	L282 P294 S297 D302 Q306 I307 Y314 A315	L282-K310 HydrophobicContact CD1-CB 4.04Å; P294-K310 WeakPolarHBondContact O-CE 3.45Å; P294-K310 PolarHBondContact O-NZ 2.93Å; S297-K310 WeakPolarHBondContact O-CD 3.32Å; S297-K310 PolarHBondContact O-NZ 3.45Å; D302-K310 IonicContact OD1-NZ 2.73Å; D302-K310 PolarHBondContact OD1-NZ 3.43Å; D302-K310 IonicContact OD2-NZ 3.4Å; D302-K310 PolarHBondContact OD2-NZ 2.85Å; Q306-K310 WeakPolarHBondContact O-CB 3.48Å; Q306-K310 WeakPolarHBondContact O-CG 3.38Å; Q306-K310 PolarHBondContact O-N 2.88Å; I307-K310 PolarHBondContact O-N 3.44Å; K310-Y314 HydrophobicContact CB-CD2 4.32Å; K310-Y314 HydrophobicContact CG-CD2 4.26Å; K310-Y314 WeakPolarHBondContact O-CA 3.48Å; K310-Y314 WeakPolarHBondContact O-CB 3.33Å; K310-Y314 PolarHBondContact O-N 2.92Å; K310-A315 PolarHBondContact O-N 3.33Å
311	I	97.5	Very high	96.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-48.9	177.9	-68.1	165.6	0	0	0	110.7	I298 I307 K313 A315 K370 L373 I374 V377	I298-I311 HydrophobicContact CD1-CD1 3.89Å; I298-I311 HydrophobicContact CD1-CG1 3.63Å; I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 PolarHBondContact O-N 3.03Å; I311-K313 PolarHBondContact O-N 3.49Å; I311-A315 HydrophobicContact CG2-CB 4.3Å; I311-A315 WeakPolarHBondContact O-CB 3.19Å; I311-A315 PolarHBondContact O-N 2.95Å; I311-K370 HydrophobicContact CG2-CB 4.05Å; I311-K370 HydrophobicContact CG2-CD 4.31Å; I311-K370 HydrophobicContact CG2-CG 4.02Å; I311-K370 PolarHBondContact O-NZ 3.42Å; I311-L373 HydrophobicContact CD1-CD2 4.02Å; I311-L373 HydrophobicContact CD1-CG 3.94Å; I311-L373 HydrophobicContact CG1-CD2 4.18Å; I311-L373 HydrophobicContact CG2-CD2 3.99Å; I311-I374 HydrophobicContact CB-CD1 4.33Å; I311-I374 HydrophobicContact CB-CG1 3.89Å; I311-I374 HydrophobicContact CD1-CB 4.37Å; I311-I374 HydrophobicContact CD1-CG1 3.6Å; I311-I374 HydrophobicContact CG1-CG1 4.35Å; I311-I374 HydrophobicContact CG2-CD1 4.18Å; I311-I374 HydrophobicContact CG2-CG1 3.87Å; I311-V377 HydrophobicContact CD1-CB 4.45Å; I311-V377 HydrophobicContact CD1-CG2 4.47Å
312	N	97.4	Very high	96.7	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-43.7	-178.8	-75.3	-17.9	0	0	0	112.7	K308 K370 I374	K308-N312 WeakPolarHBondContact O-CB 3.4Å; K308-N312 PolarHBondContact O-N 3.48Å; K308-N312 PolarHBondContact O-ND2 3Å; N312-K370 PolarHBondContact O-NZ 3.04Å; N312-I374 WeakPolarHBondContact OD1-CD1 3.45Å
313	K	95.5	Very high	96.7	Very high	142 Å²	142	64 Å²	64	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-85.9	-35.2	-172.8	-170.9	172.5	177.3	-178.1	0	114.4	R309 I311	R309-K313 WeakPolarHBondContact O-CB 3.28Å; R309-K313 PolarHBondContact O-N 3.23Å; I311-K313 PolarHBondContact O-N 3.49Å
314	Y	95.6	Very high	96.6	Very high	60 Å²	60	68.1 Å²	68.1	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-117.6	-22.1	-167.9	-54.5	-63.2	0	0	0	114.6	L282 N295 K310 F316	L282-Y314 CarbonylContact C-O 3.6Å; L282-Y314 VanDerWaalsContact C-O 3.26Å; N295-Y314 HydrophobicContact CB-CD2 4.29Å; N295-Y314 HydrophobicContact CB-CE1 4.38Å; N295-Y314 HydrophobicContact CB-CE2 4.22Å; N295-Y314 HydrophobicContact CB-CG 4.46Å; K310-Y314 HydrophobicContact CB-CD2 4.32Å; K310-Y314 HydrophobicContact CG-CD2 4.26Å; K310-Y314 WeakPolarHBondContact O-CA 3.48Å; K310-Y314 WeakPolarHBondContact O-CB 3.33Å; K310-Y314 PolarHBondContact O-N 2.92Å; Y314-F316 PolarHBondContact O-N 3.12Å; Y314-F316 VanDerWaalsContact O-N 3.12Å
315	A	96.1	Very high	96.6	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.033	35%	0.349	C	S	.	.	S	Bend	trans	-65	114.3	176	0	0	0	0	0	109.6	L282 K310 I311 S317 I337 K370	L282-A315 HydrophobicContact CD2-CB 3.96Å; L282-A315 CarbonylContact O-C 3.26Å; L282-A315 VanDerWaalsContact O-CA 3.22Å; L282-A315 WeakPolarHBondContact O-CA 3.18Å; K310-A315 PolarHBondContact O-N 3.33Å; I311-A315 HydrophobicContact CG2-CB 4.3Å; I311-A315 WeakPolarHBondContact O-CB 3.19Å; I311-A315 PolarHBondContact O-N 2.95Å; A315-S317 PolarHBondContact O-N 3Å; A315-I337 HydrophobicContact CB-CB 4.5Å; A315-I337 HydrophobicContact CB-CG2 4.4Å; A315-K370 WeakPolarHBondContact O-CE 3.38Å; A315-K370 PolarHBondContact O-NZ 3.46Å
316	F	95.9	Very high	96.6	Very high	96 Å²	96	66.1 Å²	66.1	42%	0.421	32%	0.323	S	S	.	.			trans	-60.7	135.3	178.5	175.5	-92	0	0	0	110.2	L282 Q283 Y314 V335 I337	L282-F316 PolarHBondContact O-N 3.23Å; Q283-F316 WeakPolarHBondContact O-CB 3.13Å; Y314-F316 PolarHBondContact O-N 3.12Å; Y314-F316 VanDerWaalsContact O-N 3.12Å; F316-V335 WeakPolarHBondContact CD1-O 3.46Å; F316-V335 HydrophobicContact CE1-CB 4.14Å; F316-V335 HydrophobicContact CE1-CG2 4.05Å; F316-I337 HydrophobicContact CB-CG1 3.9Å; F316-I337 PolarHBondContact O-N 2.84Å; F316-I337 VanDerWaalsContact O-N 3.1Å
317	S	96.9	Very high	96.6	Very high	36 Å²	36	68.5 Å²	68.5	25%	0.252	33%	0.329	S	S	.	.			trans	-101	136.1	-178.4	-177.5	0	0	0	0	110.9	A315 G319 D336 Y359 T366	A315-S317 PolarHBondContact O-N 3Å; S317-G319 VanDerWaalsContact C-N 3.27Å; S317-G319 PolarHBondContact OG-N 3.37Å; S317-D336 WeakPolarHBondContact CA-OD2 3.25Å; S317-D336 PolarHBondContact OG-OD2 3.31Å; S317-Y359 PolarHBondContact OG-OH 3.23Å; S317-T366 WeakPolarHBondContact OG-CG2 3.32Å; S317-T366 PolarHBondContact OG-OG1 3.37Å
318	G	96.7	Very high	96.5	Very high	8 Å²	8	74.4 Å²	74.4	8%	0.082	36%	0.358	C	S	.	.			trans	-86	5.1	164.8	0	0	0	0	0	113.7	G331 N332 D336	G318-G331 CarbonylContact O-C 3.57Å; G318-G331 WeakPolarHBondContact O-CA 3.49Å; G318-N332 PolarHBondContact O-N 2.93Å; G318-D336 PolarHBondContact N-OD2 3.3Å
319	G	96.8	Very high	96.5	Very high	18 Å²	18	75 Å²	75	19%	0.186	36%	0.361	C	S	.	.	S	Bend	trans	-74.8	-172.8	178.5	0	0	0	0	0	113.1	S317 H326 Y359	S317-G319 VanDerWaalsContact C-N 3.27Å; S317-G319 PolarHBondContact OG-N 3.37Å; G319-H326 WeakPolarHBondContact CA-ND1 3.42Å; G319-Y359 WeakPolarHBondContact CA-OH 3.15Å; G319-Y359 PolarHBondContact N-OH 3.49Å
320	K	96.8	Very high	96.5	Very high	96 Å²	96	68.7 Å²	68.7	42%	0.417	34%	0.338	S	S	.	.			trans	-100.5	161.7	174.4	-55.2	-59	-176.7	-174.6	0	109.8	T322 E325 H326 F329 G330	K320-T322 VanDerWaalsContact C-N 3.3Å; K320-T322 PolarHBondContact O-N 3.38Å; K320-E325 HydrophobicContact CB-CB 3.64Å; K320-E325 HydrophobicContact CG-CB 4Å; K320-H326 HydrophobicContact CB-CB 4.01Å; K320-H326 HydrophobicContact CG-CB 4.29Å; K320-H326 PolarHBondContact N-ND1 2.75Å; K320-F329 HydrophobicContact CG-CB 4.47Å; K320-G330 WeakPolarHBondContact CE-O 3.4Å
321	D	94.2	Very high	96.5	Very high	166 Å²	166	68.7 Å²	68.7	89%	0.888	34%	0.341	S	S	*	.	S	Bend	trans	-67.8	-33	-175.8	-66.1	-31.1	0	0	0	112.2
322	T	95.6	Very high	96.5	Very high	60 Å²	60	71.9 Å²	71.9	37%	0.368	36%	0.358	S	S	.	.	S	Bend	trans	-112.7	154.2	178.2	65.9	0	0	0	0	112.1	K320 E324 E325 H326	K320-T322 VanDerWaalsContact C-N 3.3Å; K320-T322 PolarHBondContact O-N 3.38Å; T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 PolarHBondContact O-N 3.27Å; T322-E325 PolarHBondContact O-N 2.77Å; T322-E325 VanDerWaalsContact OG1-CB 3.27Å; T322-E325 WeakPolarHBondContact OG1-CB 3.36Å; T322-E325 VanDerWaalsContact OG1-CD 3.27Å; T322-E325 WeakPolarHBondContact OG1-CG 3.22Å; T322-E325 PolarHBondContact OG1-N 2.84Å; T322-E325 PolarHBondContact OG1-OE2 2.79Å; T322-H326 WeakPolarHBondContact O-CB 3.44Å; T322-H326 PolarHBondContact O-N 2.63Å
323	T	95.6	Very high	96.5	Very high	77 Å²	77	69 Å²	69	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-37.7	178.3	-62.1	0	0	0	0	110.5	H326 R327 L365	T323-H326 PolarHBondContact O-N 3.49Å; T323-R327 HydrophobicContact CG2-CG 4.2Å; T323-R327 WeakPolarHBondContact O-CB 3.43Å; T323-R327 WeakPolarHBondContact O-CG 3.32Å; T323-R327 PolarHBondContact O-N 3.34Å; T323-L365 HydrophobicContact CG2-CD1 4.08Å; T323-L365 HydrophobicContact CG2-CD2 4.02Å
324	E	95.8	Very high	96.4	Very high	141 Å²	141	66.9 Å²	66.9	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-61.9	-49.3	178.7	-64.8	74.2	-165.9	0	0	111.3	T322 H326 R327 M328	T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 PolarHBondContact O-N 3.27Å; E324-H326 VanDerWaalsContact C-N 3.32Å; E324-H326 PolarHBondContact O-N 2.63Å; E324-R327 PolarHBondContact O-N 3.26Å; E324-M328 WeakPolarHBondContact O-CB 3.31Å; E324-M328 PolarHBondContact O-N 2.73Å; E324-M328 VanDerWaalsContact O-N 3.13Å
325	E	96.8	Very high	96.3	Very high	77 Å²	77	64.9 Å²	64.9	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-38.6	175.6	-72.5	170.7	144.9	0	0	111.8	K320 T322 M328 F329	K320-E325 HydrophobicContact CB-CB 3.64Å; K320-E325 HydrophobicContact CG-CB 4Å; T322-E325 PolarHBondContact O-N 2.77Å; T322-E325 VanDerWaalsContact OG1-CB 3.27Å; T322-E325 WeakPolarHBondContact OG1-CB 3.36Å; T322-E325 VanDerWaalsContact OG1-CD 3.27Å; T322-E325 WeakPolarHBondContact OG1-CG 3.22Å; T322-E325 PolarHBondContact OG1-N 2.84Å; T322-E325 PolarHBondContact OG1-OE2 2.79Å; E325-M328 PolarHBondContact O-N 2.73Å; E325-F329 HydrophobicContact CB-CD2 4.21Å; E325-F329 WeakPolarHBondContact O-CB 3.49Å; E325-F329 WeakPolarHBondContact O-CD2 3.37Å; E325-F329 PolarHBondContact O-N 3.12Å
326	H	98	Very high	96.4	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-41.7	179.6	-166.4	77.5	0	0	0	111.9	G319 K320 T322 T323 E324 M328 G330 G331 Y359 G362 L364	G319-H326 WeakPolarHBondContact CA-ND1 3.42Å; K320-H326 HydrophobicContact CB-CB 4.01Å; K320-H326 HydrophobicContact CG-CB 4.29Å; K320-H326 PolarHBondContact N-ND1 2.75Å; T322-H326 WeakPolarHBondContact O-CB 3.44Å; T322-H326 PolarHBondContact O-N 2.63Å; T323-H326 PolarHBondContact O-N 3.49Å; E324-H326 VanDerWaalsContact C-N 3.32Å; E324-H326 PolarHBondContact O-N 2.63Å; H326-M328 PolarHBondContact O-N 3.02Å; H326-G330 WeakPolarHBondContact O-CA 3.19Å; H326-G330 PolarHBondContact O-N 2.84Å; H326-G331 PolarHBondContact CE1-N 2.85Å; H326-Y359 AromaticContact CE1-CD2 3.9Å; H326-Y359 AromaticContact CE1-CE2 3.35Å; H326-Y359 WeakPolarHBondContact CE1-CE2 3.31Å; H326-Y359 AromaticContact CE1-CZ 3.86Å; H326-Y359 AromaticContact NE2-CD2 3.73Å; H326-Y359 AromaticContact NE2-CE2 3.49Å; H326-Y359 WeakPolarHBondContact NE2-CE2 3.43Å; H326-G362 VanDerWaalsContact O-CA 3.3Å; H326-G362 WeakPolarHBondContact O-CA 3.37Å; H326-L364 PolarHBondContact NE2-O 3.17Å
327	R	97	Very high	96.4	Very high	117 Å²	117	60.1 Å²	60.1	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-29.8	174.7	-69.9	-78.9	179.5	-155.8	4.2	112.3	T323 E324 G362 A363 L365	T323-R327 HydrophobicContact CG2-CG 4.2Å; T323-R327 WeakPolarHBondContact O-CB 3.43Å; T323-R327 WeakPolarHBondContact O-CG 3.32Å; T323-R327 PolarHBondContact O-N 3.34Å; E324-R327 PolarHBondContact O-N 3.26Å; R327-G362 WeakPolarHBondContact CD-O 3.34Å; R327-G362 PolarHBondContact NH1-O 2.62Å; R327-A363 PolarHBondContact NH1-O 2.72Å; R327-L365 HydrophobicContact CG-CD2 4.38Å
328	M	96.4	Very high	96.4	Very high	126 Å²	126	58.4 Å²	58.4	62%	0.621	30%	0.299	S	S	*	.	H	α-helix	trans	-87.9	-38.1	-178.3	178	172.5	44.9	0	0	113.6	E324 E325 H326	E324-M328 WeakPolarHBondContact O-CB 3.31Å; E324-M328 PolarHBondContact O-N 2.73Å; E324-M328 VanDerWaalsContact O-N 3.13Å; E325-M328 PolarHBondContact O-N 2.73Å; H326-M328 PolarHBondContact O-N 3.02Å
329	F	97.3	Very high	96.5	Very high	129 Å²	129	59.1 Å²	59.1	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-115.3	-8.8	-171.2	-60.8	-55.4	0	0	0	114.6	K320 E325	K320-F329 HydrophobicContact CG-CB 4.47Å; E325-F329 HydrophobicContact CB-CD2 4.21Å; E325-F329 WeakPolarHBondContact O-CB 3.49Å; E325-F329 WeakPolarHBondContact O-CD2 3.37Å; E325-F329 PolarHBondContact O-N 3.12Å
330	G	97.5	Very high	96.5	Very high	2 Å²	2	59 Å²	59	2%	0.021	29%	0.294	C	S	.	.			trans	70.1	178.3	-176.2	0	0	0	0	0	115	K320 H326 S360	K320-G330 WeakPolarHBondContact CE-O 3.4Å; H326-G330 WeakPolarHBondContact O-CA 3.19Å; H326-G330 PolarHBondContact O-N 2.84Å; G330-S360 WeakPolarHBondContact CA-O 3.42Å
331	G	97.7	Very high	96.5	Very high	11 Å²	11	54.5 Å²	54.5	11%	0.113	28%	0.275	C	S	.	.			trans	-97.9	158.9	170.7	0	0	0	0	0	112.8	G318 H326 Y359 S360	G318-G331 CarbonylContact O-C 3.57Å; G318-G331 WeakPolarHBondContact O-CA 3.49Å; H326-G331 PolarHBondContact CE1-N 2.85Å; G331-Y359 PolarHBondContact N-O 3.3Å; G331-S360 WeakPolarHBondContact O-CA 3.3Å
332	N	97.1	Very high	96.7	Very high	67 Å²	67	46.6 Å²	46.6	36%	0.358	23%	0.232	S	C	.	.			trans	-101.2	105.7	173.8	-177.2	-7.4	0	0	0	110.6	G318 D334 V335 D336	G318-N332 PolarHBondContact O-N 2.93Å; N332-D334 PolarHBondContact O-N 3.07Å; N332-D334 WeakPolarHBondContact OD1-CB 3.48Å; N332-D334 PolarHBondContact OD1-N 3.45Å; N332-V335 HydrophobicContact CB-CG2 3.93Å; N332-V335 PolarHBondContact O-N 3.33Å; N332-D336 WeakPolarHBondContact O-CB 3.25Å; N332-D336 PolarHBondContact O-N 3.39Å
333	C	96.4	Very high	96.7	Very high	12 Å²	12	46.9 Å²	46.9	8%	0.081	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	177.9	-69.8	0	0	0	0	114	V335 Y339 S360	C333-V335 VanDerWaalsContact C-N 3.25Å; C333-V335 PolarHBondContact O-N 3.14Å; C333-Y339 HydrophobicContact CB-CD1 3.52Å; C333-Y339 HydrophobicContact CB-CE1 3.62Å; C333-Y339 HydrophobicContact CB-CG 4.1Å; C333-S360 PolarHBondContact SG-OG 3.32Å; C333-S360 VanDerWaalsContact SG-OG 3.38Å
334	D	93.3	Very high	96.8	Very high	97 Å²	97	44.1 Å²	44.1	52%	0.519	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.3	-176.3	-64	-37.1	0	0	0	112.8	N332 Q340	N332-D334 PolarHBondContact O-N 3.07Å; N332-D334 WeakPolarHBondContact OD1-CB 3.48Å; N332-D334 PolarHBondContact OD1-N 3.45Å; D334-Q340 PolarHBondContact O-NE2 3.37Å
335	V	94.7	Very high	96.9	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.115	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-13	178	-57.5	0	0	0	0	113.4	N34 E35 F316 N332 C333 I337	N34-V335 HydrophobicContact CB-CG1 4.4Å; E35-V335 HydrophobicContact CG-CG1 4.09Å; F316-V335 WeakPolarHBondContact CD1-O 3.46Å; F316-V335 HydrophobicContact CE1-CB 4.14Å; F316-V335 HydrophobicContact CE1-CG2 4.05Å; N332-V335 HydrophobicContact CB-CG2 3.93Å; N332-V335 PolarHBondContact O-N 3.33Å; C333-V335 VanDerWaalsContact C-N 3.25Å; C333-V335 PolarHBondContact O-N 3.14Å; V335-I337 PolarHBondContact O-N 3.03Å
336	D	97.3	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.			trans	-73.9	114.4	-179.7	-165.9	-73.6	0	0	0	111.8	S317 G318 N332 S338 Y339 Q340 Y359 L369	S317-D336 WeakPolarHBondContact CA-OD2 3.25Å; S317-D336 PolarHBondContact OG-OD2 3.31Å; G318-D336 PolarHBondContact N-OD2 3.3Å; N332-D336 WeakPolarHBondContact O-CB 3.25Å; N332-D336 PolarHBondContact O-N 3.39Å; D336-S338 PolarHBondContact O-N 3.47Å; D336-S338 VanDerWaalsContact OD1-CA 3.3Å; D336-S338 WeakPolarHBondContact OD1-CA 3.13Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.15Å; D336-S338 PolarHBondContact OD1-OG 3.26Å; D336-Y339 PolarHBondContact O-N 3.15Å; D336-Y339 PolarHBondContact OD1-N 3.06Å; D336-Y339 VanDerWaalsContact OD1-N 3.08Å; D336-Q340 VanDerWaalsContact O-CG 3.29Å; D336-Q340 WeakPolarHBondContact O-CG 3.46Å; D336-Q340 PolarHBondContact O-N 3.28Å; D336-Y359 HydrophobicContact CB-CE1 3.8Å; D336-Y359 PolarHBondContact OD2-OH 3.3Å; D336-L369 WeakPolarHBondContact OD1-CD2 3.09Å
337	I	96.8	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-29	-177.2	-63.5	-55	0	0	0	111.9	P280 A285 A315 F316 V335 Q340 Y341	P280-I337 HydrophobicContact CB-CD1 3.79Å; P280-I337 HydrophobicContact CG-CD1 3.89Å; A285-I337 HydrophobicContact CB-CD1 4.41Å; A315-I337 HydrophobicContact CB-CB 4.5Å; A315-I337 HydrophobicContact CB-CG2 4.4Å; F316-I337 HydrophobicContact CB-CG1 3.9Å; F316-I337 PolarHBondContact O-N 2.84Å; F316-I337 VanDerWaalsContact O-N 3.1Å; V335-I337 PolarHBondContact O-N 3.03Å; I337-Q340 PolarHBondContact O-N 3.42Å; I337-Y341 HydrophobicContact CG2-CD1 3.87Å; I337-Y341 HydrophobicContact CG2-CE1 3.54Å; I337-Y341 HydrophobicContact CG2-CE2 4.46Å; I337-Y341 HydrophobicContact CG2-CG 4.46Å; I337-Y341 WeakPolarHBondContact O-CB 3.24Å; I337-Y341 VanDerWaalsContact O-CD1 3.31Å; I337-Y341 WeakPolarHBondContact O-CD1 3.45Å; I337-Y341 PolarHBondContact O-N 3.5Å
338	S	97.7	Very high	96.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.5	-45.8	-179.2	-42.1	0	0	0	0	110.7	D336 Y341 L342 K370	D336-S338 PolarHBondContact O-N 3.47Å; D336-S338 VanDerWaalsContact OD1-CA 3.3Å; D336-S338 WeakPolarHBondContact OD1-CA 3.13Å; D336-S338 WeakPolarHBondContact OD1-CB 3.37Å; D336-S338 PolarHBondContact OD1-N 3.15Å; D336-S338 PolarHBondContact OD1-OG 3.26Å; S338-Y341 PolarHBondContact O-N 2.88Å; S338-L342 WeakPolarHBondContact O-CG 3.47Å; S338-L342 PolarHBondContact O-N 2.9Å; S338-L342 VanDerWaalsContact O-N 3.07Å; S338-K370 VanDerWaalsContact OG-CG 3.31Å; S338-K370 WeakPolarHBondContact OG-CG 3.36Å
339	Y	97.8	Very high	96.6	Very high	22 Å²	22	36.4 Å²	36.4	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-45.1	172.4	-174.4	-104.1	0	0	0	111.7	C333 D336 Y341 L342 K343 I352 L355 L369	C333-Y339 HydrophobicContact CB-CD1 3.52Å; C333-Y339 HydrophobicContact CB-CE1 3.62Å; C333-Y339 HydrophobicContact CB-CG 4.1Å; D336-Y339 PolarHBondContact O-N 3.15Å; D336-Y339 PolarHBondContact OD1-N 3.06Å; D336-Y339 VanDerWaalsContact OD1-N 3.08Å; Y339-Y341 VanDerWaalsContact C-N 3.34Å; Y339-Y341 PolarHBondContact O-N 3.02Å; Y339-L342 WeakPolarHBondContact O-CB 2.86Å; Y339-L342 PolarHBondContact O-N 3.29Å; Y339-K343 HydrophobicContact CD1-CD 4.36Å; Y339-K343 HydrophobicContact CE1-CD 3.86Å; Y339-K343 HydrophobicContact CE1-CG 4.18Å; Y339-K343 PolarHBondContact O-N 3.33Å; Y339-K343 VanDerWaalsContact O-N 3.12Å; Y339-I352 PolarHBondContact OH-O 3.26Å; Y339-L355 HydrophobicContact CE2-CB 4.35Å; Y339-L369 HydrophobicContact CD2-CD1 4.37Å
340	Q	96.5	Very high	96.6	Very high	17 Å²	17	38 Å²	38	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-44.8	177.5	-71.3	178.9	8.2	0	0	111.8	P280 D334 D336 I337 L342 K343 Y344	P280-Q340 HydrophobicContact CG-CB 4.29Å; D334-Q340 PolarHBondContact O-NE2 3.37Å; D336-Q340 VanDerWaalsContact O-CG 3.29Å; D336-Q340 WeakPolarHBondContact O-CG 3.46Å; D336-Q340 PolarHBondContact O-N 3.28Å; I337-Q340 PolarHBondContact O-N 3.42Å; Q340-L342 VanDerWaalsContact C-N 3.35Å; Q340-L342 PolarHBondContact O-N 3.16Å; Q340-K343 WeakPolarHBondContact O-CB 3.22Å; Q340-K343 PolarHBondContact O-N 3.28Å; Q340-Y344 WeakPolarHBondContact O-CD2 3.42Å
341	Y	97.3	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-37.5	177.3	-80.5	24.9	0	0	0	112.3	I279 P280 L282 M289 I298 I337 S338 Y339 K343 Y344 F345 L373	I279-Y341 HydrophobicContact CD1-CD1 4.17Å; I279-Y341 HydrophobicContact CD1-CE1 4.05Å; I279-Y341 HydrophobicContact CD1-CG 4.45Å; I279-Y341 HydrophobicContact CG1-CD1 3.98Å; I279-Y341 HydrophobicContact CG1-CE1 3.66Å; P280-Y341 HydrophobicContact CG-CD1 4.4Å; P280-Y341 HydrophobicContact CG-CE1 4Å; P280-Y341 VanDerWaalsContact O-CE1 3.23Å; P280-Y341 WeakPolarHBondContact O-CE1 3.28Å; P280-Y341 PolarHBondContact O-OH 2.89Å; L282-Y341 HydrophobicContact CD2-CE2 3.82Å; L282-Y341 PolarHBondContact N-OH 3.33Å; M289-Y341 HydrophobicContact CE-CE2 3.78Å; M289-Y341 WeakPolarHBondContact CE-OH 3.26Å; I298-Y341 HydrophobicContact CD1-CE2 4.28Å; I337-Y341 HydrophobicContact CG2-CD1 3.87Å; I337-Y341 HydrophobicContact CG2-CE1 3.54Å; I337-Y341 HydrophobicContact CG2-CE2 4.46Å; I337-Y341 HydrophobicContact CG2-CG 4.46Å; I337-Y341 WeakPolarHBondContact O-CB 3.24Å; I337-Y341 VanDerWaalsContact O-CD1 3.31Å; I337-Y341 WeakPolarHBondContact O-CD1 3.45Å; I337-Y341 PolarHBondContact O-N 3.5Å; S338-Y341 PolarHBondContact O-N 2.88Å; Y339-Y341 VanDerWaalsContact C-N 3.34Å; Y339-Y341 PolarHBondContact O-N 3.02Å; Y341-K343 VanDerWaalsContact C-N 3.27Å; Y341-K343 PolarHBondContact O-N 3.2Å; Y341-Y344 WeakPolarHBondContact O-CB 3.42Å; Y341-Y344 PolarHBondContact O-N 2.85Å; Y341-F345 VanDerWaalsContact O-CD2 3.25Å; Y341-F345 WeakPolarHBondContact O-CD2 3.42Å; Y341-F345 PolarHBondContact O-N 3.09Å; Y341-L373 HydrophobicContact CD2-CD2 4.15Å; Y341-L373 HydrophobicContact CG-CD2 4.4Å
342	L	97.9	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-40.9	174.3	-75.6	164.2	0	0	0	111.1	S338 Y339 Q340 Y344 F345 L346 I352 L355 L369 R372 L373 V376	S338-L342 WeakPolarHBondContact O-CG 3.47Å; S338-L342 PolarHBondContact O-N 2.9Å; S338-L342 VanDerWaalsContact O-N 3.07Å; Y339-L342 WeakPolarHBondContact O-CB 2.86Å; Y339-L342 PolarHBondContact O-N 3.29Å; Q340-L342 VanDerWaalsContact C-N 3.35Å; Q340-L342 PolarHBondContact O-N 3.16Å; L342-Y344 PolarHBondContact O-N 3.28Å; L342-Y344 VanDerWaalsContact O-N 3.16Å; L342-F345 PolarHBondContact O-N 2.87Å; L342-F345 VanDerWaalsContact O-N 3.09Å; L342-L346 HydrophobicContact CD2-CB 4.2Å; L342-L346 HydrophobicContact CD2-CD2 4.23Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 PolarHBondContact O-N 2.71Å; L342-I352 HydrophobicContact CB-CD1 3.64Å; L342-L355 HydrophobicContact CD1-CD1 4.17Å; L342-L369 HydrophobicContact CD1-CD1 3.59Å; L342-L369 HydrophobicContact CD1-CG 4.41Å; L342-R372 HydrophobicContact CD2-CG 4.19Å; L342-L373 HydrophobicContact CD1-CB 4.35Å; L342-L373 HydrophobicContact CD2-CB 4.24Å; L342-L373 HydrophobicContact CD2-CD1 4.23Å; L342-L373 HydrophobicContact CG-CB 4.09Å; L342-L373 HydrophobicContact CG-CD1 4.09Å; L342-V376 HydrophobicContact CD2-CB 4.43Å; L342-V376 HydrophobicContact CD2-CG2 3.88Å
343	K	96.8	Very high	96.6	Very high	67 Å²	67	43.4 Å²	43.4	29%	0.291	21%	0.211	S	C	.	.	H	α-helix	trans	-57.7	-30.3	174.4	-65.9	-171	-67.9	-175.3	0	113.6	R73 I75 Y339 Q340 Y341 I352	R73-K343 PolarHBondContact NH1-O 2.84Å; I75-K343 WeakPolarHBondContact CD1-O 3.2Å; Y339-K343 HydrophobicContact CD1-CD 4.36Å; Y339-K343 HydrophobicContact CE1-CD 3.86Å; Y339-K343 HydrophobicContact CE1-CG 4.18Å; Y339-K343 PolarHBondContact O-N 3.33Å; Y339-K343 VanDerWaalsContact O-N 3.12Å; Q340-K343 WeakPolarHBondContact O-CB 3.22Å; Q340-K343 PolarHBondContact O-N 3.28Å; Y341-K343 VanDerWaalsContact C-N 3.27Å; Y341-K343 PolarHBondContact O-N 3.2Å; K343-I352 HydrophobicContact CG-CG2 4.2Å
344	Y	97	Very high	96.6	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.071	23%	0.229	C	C	.	.	H	α-helix	trans	-81.7	-24.5	177.2	-76.1	-86.6	0	0	0	114.5	H69 L70 I75 I114 T277 F278 I279 Q340 Y341 L342	H69-Y344 PolarHBondContact CE1-O 3.31Å; H69-Y344 VanDerWaalsContact CE1-O 3.29Å; L70-Y344 HydrophobicContact CD2-CD1 4.39Å; I75-Y344 HydrophobicContact CB-CE1 4.29Å; I75-Y344 HydrophobicContact CD1-CD1 3.69Å; I75-Y344 HydrophobicContact CD1-CE1 3.97Å; I75-Y344 HydrophobicContact CD1-CG 3.96Å; I75-Y344 HydrophobicContact CG1-CD1 4.16Å; I75-Y344 HydrophobicContact CG1-CE1 3.91Å; I75-Y344 HydrophobicContact CG2-CD1 3.83Å; I75-Y344 HydrophobicContact CG2-CE1 3.42Å; I75-Y344 VanDerWaalsContact CG2-CE1 3.42Å; I114-Y344 HydrophobicContact CD1-CD1 3.82Å; I114-Y344 HydrophobicContact CD1-CG 4.32Å; I114-Y344 HydrophobicContact CG1-CD1 3.92Å; I114-Y344 HydrophobicContact CG2-CD1 4.22Å; I114-Y344 HydrophobicContact CG2-CE1 4.42Å; T277-Y344 PolarHBondContact OG1-OH 3.12Å; F278-Y344 VanDerWaalsContact C-OH 3.29Å; F278-Y344 PolarHBondContact O-OH 3.3Å; I279-Y344 HydrophobicContact CG1-CD2 4.29Å; I279-Y344 HydrophobicContact CG1-CE2 4.36Å; Q340-Y344 WeakPolarHBondContact O-CD2 3.42Å; Y341-Y344 WeakPolarHBondContact O-CB 3.42Å; Y341-Y344 PolarHBondContact O-N 2.85Å; L342-Y344 PolarHBondContact O-N 3.28Å; L342-Y344 VanDerWaalsContact O-N 3.16Å
345	F	97	Very high	96.9	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-126.8	-25.7	-165.7	-68.5	-58.6	0	0	0	115.4	L110 I114 I279 Y341 L342 V376 I380	L110-F345 HydrophobicContact CB-CE2 4.18Å; L110-F345 HydrophobicContact CB-CZ 3.75Å; L110-F345 HydrophobicContact CD1-CE2 4.02Å; L110-F345 HydrophobicContact CD1-CZ 4.29Å; L110-F345 HydrophobicContact CD2-CE1 4.48Å; L110-F345 HydrophobicContact CD2-CZ 4.17Å; L110-F345 HydrophobicContact CG-CZ 4.3Å; I114-F345 HydrophobicContact CD1-CD1 4.34Å; I114-F345 HydrophobicContact CD1-CE1 3.57Å; I114-F345 HydrophobicContact CD1-CZ 3.76Å; I279-F345 HydrophobicContact CD1-CE2 3.68Å; I279-F345 HydrophobicContact CD1-CZ 3.88Å; Y341-F345 VanDerWaalsContact O-CD2 3.25Å; Y341-F345 WeakPolarHBondContact O-CD2 3.42Å; Y341-F345 PolarHBondContact O-N 3.09Å; L342-F345 PolarHBondContact O-N 2.87Å; L342-F345 VanDerWaalsContact O-N 3.09Å; F345-V376 HydrophobicContact CB-CG1 3.75Å; F345-I380 HydrophobicContact CB-CD1 3.64Å; F345-I380 HydrophobicContact CD1-CD1 3.63Å; F345-I380 HydrophobicContact CG-CD1 3.84Å
346	L	96.4	Very high	97	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.073	21%	0.208	C	C	.	.			trans	-89.2	110.8	178	176	59.6	0	0	0	109.2	R73 L342 D348 E351 I352 L355 V376	R73-L346 PolarHBondContact NH1-O 3.49Å; R73-L346 PolarHBondContact NH2-O 3.05Å; L342-L346 HydrophobicContact CD2-CB 4.2Å; L342-L346 HydrophobicContact CD2-CD2 4.23Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 PolarHBondContact O-N 2.71Å; L346-D348 VanDerWaalsContact C-N 3.33Å; L346-D348 PolarHBondContact O-N 3.36Å; L346-E351 WeakPolarHBondContact CD1-OE2 3.36Å; L346-E351 HydrophobicContact CD2-CB 4.17Å; L346-E351 HydrophobicContact CD2-CG 3.94Å; L346-I352 HydrophobicContact CB-CD1 4.01Å; L346-I352 HydrophobicContact CB-CG1 4.27Å; L346-I352 HydrophobicContact CD2-CD1 3.76Å; L346-I352 HydrophobicContact CD2-CG1 3.93Å; L346-I352 HydrophobicContact CG-CD1 4.22Å; L346-I352 HydrophobicContact CG-CG1 4.15Å; L346-L355 HydrophobicContact CD2-CD1 3.97Å; L346-V376 HydrophobicContact CB-CG2 4.45Å; L346-V376 HydrophobicContact CD1-CG2 4.24Å
347	E	94.4	Very high	97.1	Very high	136 Å²	136	46.8 Å²	46.8	64%	0.636	23%	0.229	S	C	*	.			trans	-71.4	-23.3	-171.5	-62.4	-176.1	-171.7	0	0	115.1	R72 R73 D349	R72-E347 PolarHBondContact NH2-O 3.49Å; R73-E347 PolarHBondContact NH2-O 3.4Å; E347-D349 PolarHBondContact O-N 2.77Å
348	D	96.6	Very high	97.1	Very high	76 Å²	76	49 Å²	49	41%	0.406	24%	0.24	S	C	.	.			trans	-73.2	117.2	-177.7	-168.8	-34.5	0	0	0	110.7	R73 L346 E350 E351 I352	R73-D348 VanDerWaalsContact NH2-C 3.31Å; R73-D348 PolarHBondContact NH2-O 3.1Å; L346-D348 VanDerWaalsContact C-N 3.33Å; L346-D348 PolarHBondContact O-N 3.36Å; D348-E350 PolarHBondContact OD1-N 3.08Å; D348-E351 HydrophobicContact CB-CB 3.86Å; D348-E351 PolarHBondContact OD1-N 3.42Å; D348-I352 VanDerWaalsContact O-CG1 3.32Å; D348-I352 WeakPolarHBondContact O-CG1 3.31Å; D348-I352 PolarHBondContact O-N 3.49Å
349	D	95.6	Very high	97.2	Very high	62 Å²	62	49 Å²	49	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-76.4	-34.5	-179.5	-71.9	-13.5	0	0	0	112.2	R72 R73 E347 I352 E353	R72-D349 IonicContact CZ-OD1 2.63Å; R72-D349 IonicContact CZ-OD2 3.15Å; R72-D349 IonicContact NE-OD1 3.94Å; R72-D349 IonicContact NE-OD2 2.74Å; R72-D349 PolarHBondContact NE-OD2 3.07Å; R72-D349 IonicContact NH2-OD1 2.68Å; R72-D349 PolarHBondContact NH2-OD1 3.45Å; R72-D349 IonicContact NH2-OD2 2.59Å; R72-D349 PolarHBondContact NH2-OD2 3.35Å; R73-D349 IonicContact CZ-OD1 2.79Å; R73-D349 IonicContact NE-OD1 2.86Å; R73-D349 PolarHBondContact NE-OD1 3.34Å; R73-D349 IonicContact NH2-OD1 3.38Å; R73-D349 PolarHBondContact NH2-OD1 3.45Å; E347-D349 PolarHBondContact O-N 2.77Å; D349-I352 PolarHBondContact O-N 2.81Å; D349-E353 WeakPolarHBondContact O-CB 3.45Å; D349-E353 PolarHBondContact O-N 2.91Å
350	E	96.8	Very high	97.2	Very high	164 Å²	164	50.9 Å²	50.9	77%	0.766	26%	0.256	S	S	*	.	H	α-helix	trans	-68.3	-41.9	178.6	-64.5	-178.6	-177.8	0	0	109.9	D348 E353 Q354	D348-E350 PolarHBondContact OD1-N 3.08Å; E350-E353 PolarHBondContact O-N 3.47Å; E350-Q354 WeakPolarHBondContact O-CB 3.37Å; E350-Q354 PolarHBondContact O-N 3.12Å
351	E	97.6	Very high	97.2	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.8	-167	-177.6	173	0	0	111.9	L346 D348 Q354 L355 R372	L346-E351 WeakPolarHBondContact CD1-OE2 3.36Å; L346-E351 HydrophobicContact CD2-CB 4.17Å; L346-E351 HydrophobicContact CD2-CG 3.94Å; D348-E351 HydrophobicContact CB-CB 3.86Å; D348-E351 PolarHBondContact OD1-N 3.42Å; E351-Q354 PolarHBondContact O-N 3.48Å; E351-L355 HydrophobicContact CG-CD1 4.13Å; E351-L355 HydrophobicContact CG-CG 4.46Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 WeakPolarHBondContact O-CG 3.45Å; E351-L355 PolarHBondContact O-N 3.38Å; E351-R372 VanDerWaalsContact CD-NH2 3.25Å; E351-R372 IonicContact OE1-CZ 3.63Å; E351-R372 IonicContact OE1-NE 3.23Å; E351-R372 PolarHBondContact OE1-NE 3.45Å; E351-R372 IonicContact OE1-NH2 3.86Å; E351-R372 PolarHBondContact OE1-NH2 2.9Å; E351-R372 IonicContact OE2-CZ 3.37Å; E351-R372 IonicContact OE2-NE 2.73Å; E351-R372 IonicContact OE2-NH2 2.74Å; E351-R372 PolarHBondContact OE2-NH2 3.45Å
352	I	96.9	Very high	97.2	Very high	11 Å²	11	53.3 Å²	53.3	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-44.9	176.4	-75.5	-70.4	0	0	0	111.6	Y339 L342 K343 L346 D348 D349 L355 G356	Y339-I352 PolarHBondContact OH-O 3.26Å; L342-I352 HydrophobicContact CB-CD1 3.64Å; K343-I352 HydrophobicContact CG-CG2 4.2Å; L346-I352 HydrophobicContact CB-CD1 4.01Å; L346-I352 HydrophobicContact CB-CG1 4.27Å; L346-I352 HydrophobicContact CD2-CD1 3.76Å; L346-I352 HydrophobicContact CD2-CG1 3.93Å; L346-I352 HydrophobicContact CG-CD1 4.22Å; L346-I352 HydrophobicContact CG-CG1 4.15Å; D348-I352 VanDerWaalsContact O-CG1 3.32Å; D348-I352 WeakPolarHBondContact O-CG1 3.31Å; D348-I352 PolarHBondContact O-N 3.49Å; D349-I352 PolarHBondContact O-N 2.81Å; I352-L355 PolarHBondContact O-N 2.93Å; I352-G356 PolarHBondContact O-N 2.88Å
353	E	97.1	Very high	97.2	Very high	124 Å²	124	55.8 Å²	55.8	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-61.6	-46.4	178	-173.9	61.5	-156.3	0	0	110.8	D349 E350 L355 G356 V357	D349-E353 WeakPolarHBondContact O-CB 3.45Å; D349-E353 PolarHBondContact O-N 2.91Å; E350-E353 PolarHBondContact O-N 3.47Å; E353-L355 PolarHBondContact O-N 2.82Å; E353-G356 WeakPolarHBondContact O-CA 3.47Å; E353-G356 PolarHBondContact O-N 2.93Å; E353-G356 VanDerWaalsContact O-N 3.09Å; E353-V357 WeakPolarHBondContact O-CG2 3.38Å; E353-V357 PolarHBondContact O-N 3.21Å
354	Q	98	Very high	97.3	Very high	100 Å²	100	53.8 Å²	53.8	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-44.9	178.1	-172.6	60.3	53.6	0	0	111.9	E350 E351 G356 V357 D358	E350-Q354 WeakPolarHBondContact O-CB 3.37Å; E350-Q354 PolarHBondContact O-N 3.12Å; E351-Q354 PolarHBondContact O-N 3.48Å; Q354-G356 VanDerWaalsContact C-N 3.25Å; Q354-G356 PolarHBondContact O-N 3.11Å; Q354-V357 PolarHBondContact O-N 3.18Å; Q354-D358 PolarHBondContact NE2-OD1 3.24Å; Q354-D358 PolarHBondContact NE2-OD2 3.34Å; Q354-D358 WeakPolarHBondContact O-CB 3.43Å; Q354-D358 VanDerWaalsContact O-CG 3.32Å; Q354-D358 PolarHBondContact O-N 2.92Å
355	L	98.1	Very high	97.3	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-37.4	174.7	-71.7	168.4	0	0	0	111.8	Y339 L342 L346 E351 I352 E353 Y359 L364 R372	Y339-L355 HydrophobicContact CE2-CB 4.35Å; L342-L355 HydrophobicContact CD1-CD1 4.17Å; L346-L355 HydrophobicContact CD2-CD1 3.97Å; E351-L355 HydrophobicContact CG-CD1 4.13Å; E351-L355 HydrophobicContact CG-CG 4.46Å; E351-L355 WeakPolarHBondContact O-CB 3.47Å; E351-L355 WeakPolarHBondContact O-CG 3.45Å; E351-L355 PolarHBondContact O-N 3.38Å; I352-L355 PolarHBondContact O-N 2.93Å; E353-L355 PolarHBondContact O-N 2.82Å; L355-Y359 WeakPolarHBondContact O-CB 3.32Å; L355-Y359 PolarHBondContact O-N 3.12Å; L355-L364 HydrophobicContact CD2-CD2 3.67Å; L355-R372 HydrophobicContact CD1-CG 4.17Å
356	G	97.7	Very high	97.4	Very high	8 Å²	8	55.3 Å²	55.3	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-46.6	176.5	0	0	0	0	0	112.5	I352 E353 Q354 S360	I352-G356 PolarHBondContact O-N 2.88Å; E353-G356 WeakPolarHBondContact O-CA 3.47Å; E353-G356 PolarHBondContact O-N 2.93Å; E353-G356 VanDerWaalsContact O-N 3.09Å; Q354-G356 VanDerWaalsContact C-N 3.25Å; Q354-G356 PolarHBondContact O-N 3.11Å; G356-S360 VanDerWaalsContact O-CB 3.23Å; G356-S360 WeakPolarHBondContact O-CB 3.46Å; G356-S360 PolarHBondContact O-N 3.45Å; G356-S360 PolarHBondContact O-OG 2.99Å
357	V	98.1	Very high	97.4	Very high	72 Å²	72	57.1 Å²	57.1	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-47.5	176.9	171.9	0	0	0	0	111.2	E353 Q354 Y359 S360 S361	E353-V357 WeakPolarHBondContact O-CG2 3.38Å; E353-V357 PolarHBondContact O-N 3.21Å; Q354-V357 PolarHBondContact O-N 3.18Å; V357-Y359 PolarHBondContact O-N 2.84Å; V357-S360 PolarHBondContact O-N 3.42Å; V357-S361 WeakPolarHBondContact O-CB 3.42Å; V357-S361 PolarHBondContact O-N 3.34Å; V357-S361 PolarHBondContact O-OG 3.02Å
358	D	98.4	Very high	97.6	Very high	46 Å²	46	54.9 Å²	54.9	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-68.6	-37.4	-177.6	-68.6	-25.2	0	0	0	111.8	Q354 S361 G362 A363 L364	Q354-D358 PolarHBondContact NE2-OD1 3.24Å; Q354-D358 PolarHBondContact NE2-OD2 3.34Å; Q354-D358 WeakPolarHBondContact O-CB 3.43Å; Q354-D358 VanDerWaalsContact O-CG 3.32Å; Q354-D358 PolarHBondContact O-N 2.92Å; D358-S361 WeakPolarHBondContact CA-OG 3.41Å; D358-S361 PolarHBondContact O-OG 2.82Å; D358-S361 VanDerWaalsContact O-OG 3.09Å; D358-G362 PolarHBondContact O-N 3.29Å; D358-A363 HydrophobicContact CB-CB 4.15Å; D358-A363 PolarHBondContact O-N 3.17Å; D358-L364 HydrophobicContact CB-CB 3.72Å; D358-L364 PolarHBondContact O-N 3.07Å
359	Y	98.4	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.6	-43	176.2	-165.9	-124.6	0	0	0	111.7	S317 G319 H326 G331 D336 L355 V357 S361 G362 L364 T366 L369	S317-Y359 PolarHBondContact OG-OH 3.23Å; G319-Y359 WeakPolarHBondContact CA-OH 3.15Å; G319-Y359 PolarHBondContact N-OH 3.49Å; H326-Y359 AromaticContact CE1-CD2 3.9Å; H326-Y359 AromaticContact CE1-CE2 3.35Å; H326-Y359 WeakPolarHBondContact CE1-CE2 3.31Å; H326-Y359 AromaticContact CE1-CZ 3.86Å; H326-Y359 AromaticContact NE2-CD2 3.73Å; H326-Y359 AromaticContact NE2-CE2 3.49Å; H326-Y359 WeakPolarHBondContact NE2-CE2 3.43Å; G331-Y359 PolarHBondContact N-O 3.3Å; D336-Y359 HydrophobicContact CB-CE1 3.8Å; D336-Y359 PolarHBondContact OD2-OH 3.3Å; L355-Y359 WeakPolarHBondContact O-CB 3.32Å; L355-Y359 PolarHBondContact O-N 3.12Å; V357-Y359 PolarHBondContact O-N 2.84Å; Y359-S361 VanDerWaalsContact C-N 3.31Å; Y359-S361 PolarHBondContact O-N 3.34Å; Y359-G362 PolarHBondContact O-N 3.13Å; Y359-L364 WeakPolarHBondContact CD2-O 3.4Å; Y359-T366 PolarHBondContact OH-OG1 3.16Å; Y359-L369 HydrophobicContact CD1-CD2 4Å; Y359-L369 HydrophobicContact CD2-CB 4.48Å; Y359-L369 HydrophobicContact CD2-CD2 3.97Å; Y359-L369 HydrophobicContact CE1-CD2 3.85Å; Y359-L369 HydrophobicContact CE2-CD2 3.86Å; Y359-L369 HydrophobicContact CG-CD2 4.03Å
360	S	97.9	Very high	97.8	Very high	61 Å²	61	49.2 Å²	49.2	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-70.8	-26.6	-178.9	-52.7	0	0	0	0	113	G330 G331 C333 G356 V357	G330-S360 WeakPolarHBondContact CA-O 3.42Å; G331-S360 WeakPolarHBondContact O-CA 3.3Å; C333-S360 PolarHBondContact SG-OG 3.32Å; C333-S360 VanDerWaalsContact SG-OG 3.38Å; G356-S360 VanDerWaalsContact O-CB 3.23Å; G356-S360 WeakPolarHBondContact O-CB 3.46Å; G356-S360 PolarHBondContact O-N 3.45Å; G356-S360 PolarHBondContact O-OG 2.99Å; V357-S360 PolarHBondContact O-N 3.42Å
361	S	97.7	Very high	97.9	Very high	67 Å²	67	47.9 Å²	47.9	47%	0.469	27%	0.271	S	S	.	.	H	α-helix	trans	-84.1	-12.6	173.5	61.5	0	0	0	0	113.9	V357 D358 Y359 A363	V357-S361 WeakPolarHBondContact O-CB 3.42Å; V357-S361 PolarHBondContact O-N 3.34Å; V357-S361 PolarHBondContact O-OG 3.02Å; D358-S361 WeakPolarHBondContact CA-OG 3.41Å; D358-S361 PolarHBondContact O-OG 2.82Å; D358-S361 VanDerWaalsContact O-OG 3.09Å; Y359-S361 VanDerWaalsContact C-N 3.31Å; Y359-S361 PolarHBondContact O-N 3.34Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact OG-N 3.37Å
362	G	97.6	Very high	97.9	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	5.8	-173.4	0	0	0	0	0	114.2	H326 R327 D358 Y359	H326-G362 VanDerWaalsContact O-CA 3.3Å; H326-G362 WeakPolarHBondContact O-CA 3.37Å; R327-G362 WeakPolarHBondContact CD-O 3.34Å; R327-G362 PolarHBondContact NH1-O 2.62Å; D358-G362 PolarHBondContact O-N 3.29Å; Y359-G362 PolarHBondContact O-N 3.13Å
363	A	97.8	Very high	98	Very high	51 Å²	51	47.8 Å²	47.8	42%	0.421	27%	0.268	S	S	.	.	S	Bend	trans	-68.2	-34.2	174.5	0	0	0	0	0	112.5	R327 D358 S361	R327-A363 PolarHBondContact NH1-O 2.72Å; D358-A363 HydrophobicContact CB-CB 4.15Å; D358-A363 PolarHBondContact O-N 3.17Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact OG-N 3.37Å
364	L	97.8	Very high	98	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.131	24%	0.242	C	C	.	.	S	Bend	trans	-101.7	126.1	174.1	-175.7	74.2	0	0	0	109.8	H326 L355 D358 Y359 E368 L369	H326-L364 PolarHBondContact NE2-O 3.17Å; L355-L364 HydrophobicContact CD2-CD2 3.67Å; D358-L364 HydrophobicContact CB-CB 3.72Å; D358-L364 PolarHBondContact O-N 3.07Å; Y359-L364 WeakPolarHBondContact CD2-O 3.4Å; L364-E368 HydrophobicContact CD1-CB 3.51Å; L364-E368 HydrophobicContact CG-CB 4.21Å; L364-L369 HydrophobicContact CD2-CB 3.85Å; L364-L369 HydrophobicContact CD2-CD1 3.9Å; L364-L369 HydrophobicContact CD2-CG 4.45Å; L364-L369 HydrophobicContact CG-CB 4.38Å
365	L	97.9	Very high	98.1	Very high	39 Å²	39	41 Å²	41	20%	0.204	24%	0.239	C	C	.	.			trans	-80.7	154.4	174.9	-59	-177.7	0	0	0	111.3	T323 R327 G367 E368 L369	T323-L365 HydrophobicContact CG2-CD1 4.08Å; T323-L365 HydrophobicContact CG2-CD2 4.02Å; R327-L365 HydrophobicContact CG-CD2 4.38Å; L365-G367 PolarHBondContact O-N 3.22Å; L365-G367 VanDerWaalsContact O-N 3.14Å; L365-E368 HydrophobicContact CB-CG 4.34Å; L365-E368 PolarHBondContact N-OE2 2.8Å; L365-E368 WeakPolarHBondContact O-CB 3.43Å; L365-E368 PolarHBondContact O-N 2.9Å; L365-L369 PolarHBondContact O-N 3.29Å
366	T	97.8	Very high	98.1	Very high	26 Å²	26	40.7 Å²	40.7	16%	0.16	24%	0.237	C	C	.	.	H	α-helix	trans	-52.4	-39.2	175.6	-57.5	0	0	0	0	113.2	S317 Y359 E368 L369 K370	S317-T366 WeakPolarHBondContact OG-CG2 3.32Å; S317-T366 PolarHBondContact OG-OG1 3.37Å; Y359-T366 PolarHBondContact OH-OG1 3.16Å; T366-E368 VanDerWaalsContact C-N 3.28Å; T366-E368 PolarHBondContact O-N 3.06Å; T366-L369 PolarHBondContact O-N 2.88Å; T366-K370 HydrophobicContact CG2-CD 4.25Å; T366-K370 HydrophobicContact CG2-CG 4.39Å; T366-K370 WeakPolarHBondContact O-CB 3.28Å; T366-K370 WeakPolarHBondContact O-CG 3.47Å; T366-K370 PolarHBondContact O-N 3.27Å
367	G	97.3	Very high	98.1	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-33.9	178.1	0	0	0	0	0	113.2	L365 K371	L365-G367 PolarHBondContact O-N 3.22Å; L365-G367 VanDerWaalsContact O-N 3.14Å; G367-K371 WeakPolarHBondContact O-CB 3.49Å; G367-K371 PolarHBondContact O-N 3.44Å
368	E	97.8	Very high	98.1	Very high	89 Å²	89	39.3 Å²	39.3	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-76.2	-43.7	178.6	-61.6	171.4	143	0	0	110.7	L364 L365 T366 K370 K371 R372	L364-E368 HydrophobicContact CD1-CB 3.51Å; L364-E368 HydrophobicContact CG-CB 4.21Å; L365-E368 HydrophobicContact CB-CG 4.34Å; L365-E368 PolarHBondContact N-OE2 2.8Å; L365-E368 WeakPolarHBondContact O-CB 3.43Å; L365-E368 PolarHBondContact O-N 2.9Å; T366-E368 VanDerWaalsContact C-N 3.28Å; T366-E368 PolarHBondContact O-N 3.06Å; E368-K370 PolarHBondContact O-N 3.23Å; E368-K371 WeakPolarHBondContact O-CB 3.33Å; E368-K371 PolarHBondContact O-N 2.92Å; E368-R372 PolarHBondContact O-N 3.19Å
369	L	98.4	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-47.5	171.9	-179.1	68.2	0	0	0	111.6	D336 Y339 L342 Y359 L364 L365 T366 K371 R372 L373	D336-L369 WeakPolarHBondContact OD1-CD2 3.09Å; Y339-L369 HydrophobicContact CD2-CD1 4.37Å; L342-L369 HydrophobicContact CD1-CD1 3.59Å; L342-L369 HydrophobicContact CD1-CG 4.41Å; Y359-L369 HydrophobicContact CD1-CD2 4Å; Y359-L369 HydrophobicContact CD2-CB 4.48Å; Y359-L369 HydrophobicContact CD2-CD2 3.97Å; Y359-L369 HydrophobicContact CE1-CD2 3.85Å; Y359-L369 HydrophobicContact CE2-CD2 3.86Å; Y359-L369 HydrophobicContact CG-CD2 4.03Å; L364-L369 HydrophobicContact CD2-CB 3.85Å; L364-L369 HydrophobicContact CD2-CD1 3.9Å; L364-L369 HydrophobicContact CD2-CG 4.45Å; L364-L369 HydrophobicContact CG-CB 4.38Å; L365-L369 PolarHBondContact O-N 3.29Å; T366-L369 PolarHBondContact O-N 2.88Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 2.77Å; L369-R372 PolarHBondContact O-N 3.01Å; L369-L373 PolarHBondContact O-N 3.04Å
370	K	98.4	Very high	98	Very high	19 Å²	19	44.9 Å²	44.9	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-41.7	175.9	-78.8	-172.9	178.6	-159.4	0	112	I311 N312 A315 S338 T366 E368 R372 L373 I374	I311-K370 HydrophobicContact CG2-CB 4.05Å; I311-K370 HydrophobicContact CG2-CD 4.31Å; I311-K370 HydrophobicContact CG2-CG 4.02Å; I311-K370 PolarHBondContact O-NZ 3.42Å; N312-K370 PolarHBondContact O-NZ 3.04Å; A315-K370 WeakPolarHBondContact O-CE 3.38Å; A315-K370 PolarHBondContact O-NZ 3.46Å; S338-K370 VanDerWaalsContact OG-CG 3.31Å; S338-K370 WeakPolarHBondContact OG-CG 3.36Å; T366-K370 HydrophobicContact CG2-CD 4.25Å; T366-K370 HydrophobicContact CG2-CG 4.39Å; T366-K370 WeakPolarHBondContact O-CB 3.28Å; T366-K370 WeakPolarHBondContact O-CG 3.47Å; T366-K370 PolarHBondContact O-N 3.27Å; E368-K370 PolarHBondContact O-N 3.23Å; K370-R372 VanDerWaalsContact C-N 3.31Å; K370-R372 PolarHBondContact O-N 3.46Å; K370-L373 PolarHBondContact O-N 2.98Å; K370-I374 WeakPolarHBondContact O-CD1 3.42Å; K370-I374 WeakPolarHBondContact O-CG1 3.43Å; K370-I374 PolarHBondContact O-N 3.06Å
371	K	98.4	Very high	98	Very high	136 Å²	136	42.2 Å²	42.2	59%	0.591	23%	0.228	S	C	*	.	H	α-helix	trans	-58.2	-45.7	175.6	-177.5	-176.3	174.1	-170.4	0	110.8	G367 E368 L369 L373 I374 D375	G367-K371 WeakPolarHBondContact O-CB 3.49Å; G367-K371 PolarHBondContact O-N 3.44Å; E368-K371 WeakPolarHBondContact O-CB 3.33Å; E368-K371 PolarHBondContact O-N 2.92Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 2.77Å; K371-L373 PolarHBondContact O-N 2.65Å; K371-I374 WeakPolarHBondContact O-CB 3.49Å; K371-I374 PolarHBondContact O-N 3.06Å; K371-I374 VanDerWaalsContact O-N 3.15Å; K371-D375 PolarHBondContact O-N 2.65Å
372	R	98.2	Very high	98.1	Very high	67 Å²	67	43.8 Å²	43.8	25%	0.253	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-44.7	177.3	-178.2	55.1	-178.8	129.6	-6.4	112.3	L342 E351 L355 E368 L369 K370 I374 D375 V376	L342-R372 HydrophobicContact CD2-CG 4.19Å; E351-R372 VanDerWaalsContact CD-NH2 3.25Å; E351-R372 IonicContact OE1-CZ 3.63Å; E351-R372 IonicContact OE1-NE 3.23Å; E351-R372 PolarHBondContact OE1-NE 3.45Å; E351-R372 IonicContact OE1-NH2 3.86Å; E351-R372 PolarHBondContact OE1-NH2 2.9Å; E351-R372 IonicContact OE2-CZ 3.37Å; E351-R372 IonicContact OE2-NE 2.73Å; E351-R372 IonicContact OE2-NH2 2.74Å; E351-R372 PolarHBondContact OE2-NH2 3.45Å; L355-R372 HydrophobicContact CD1-CG 4.17Å; E368-R372 PolarHBondContact O-N 3.19Å; L369-R372 PolarHBondContact O-N 3.01Å; K370-R372 VanDerWaalsContact C-N 3.31Å; K370-R372 PolarHBondContact O-N 3.46Å; R372-I374 VanDerWaalsContact C-N 3.34Å; R372-I374 PolarHBondContact O-N 3.29Å; R372-D375 PolarHBondContact O-N 2.73Å; R372-V376 WeakPolarHBondContact O-CG2 3.29Å; R372-V376 PolarHBondContact O-N 3.36Å; R372-V376 VanDerWaalsContact O-N 3.15Å
373	L	98.4	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-44	174	174.7	64.8	0	0	0	112.1	I311 Y341 L342 L369 K370 K371 D375 V376 V377	I311-L373 HydrophobicContact CD1-CD2 4.02Å; I311-L373 HydrophobicContact CD1-CG 3.94Å; I311-L373 HydrophobicContact CG1-CD2 4.18Å; I311-L373 HydrophobicContact CG2-CD2 3.99Å; Y341-L373 HydrophobicContact CD2-CD2 4.15Å; Y341-L373 HydrophobicContact CG-CD2 4.4Å; L342-L373 HydrophobicContact CD1-CB 4.35Å; L342-L373 HydrophobicContact CD2-CB 4.24Å; L342-L373 HydrophobicContact CD2-CD1 4.23Å; L342-L373 HydrophobicContact CG-CB 4.09Å; L342-L373 HydrophobicContact CG-CD1 4.09Å; L369-L373 PolarHBondContact O-N 3.04Å; K370-L373 PolarHBondContact O-N 2.98Å; K371-L373 PolarHBondContact O-N 2.65Å; L373-D375 VanDerWaalsContact C-N 3.28Å; L373-D375 PolarHBondContact O-N 3.18Å; L373-V376 PolarHBondContact O-N 3.14Å; L373-V377 HydrophobicContact CD1-CG2 3.54Å; L373-V377 HydrophobicContact CG-CG2 4.07Å; L373-V377 WeakPolarHBondContact O-CB 3.3Å; L373-V377 WeakPolarHBondContact O-CG2 3.4Å; L373-V377 PolarHBondContact O-N 3.4Å
374	I	98.6	Very high	98.1	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-45.9	178.7	-71	158.5	0	0	0	110.2	K308 I311 N312 K370 K371 R372 V376 V377 Q378	K308-I374 HydrophobicContact CB-CD1 4.4Å; K308-I374 HydrophobicContact CB-CG2 4.13Å; K308-I374 HydrophobicContact CG-CD1 4Å; K308-I374 HydrophobicContact CG-CG2 4.5Å; I311-I374 HydrophobicContact CB-CD1 4.33Å; I311-I374 HydrophobicContact CB-CG1 3.89Å; I311-I374 HydrophobicContact CD1-CB 4.37Å; I311-I374 HydrophobicContact CD1-CG1 3.6Å; I311-I374 HydrophobicContact CG1-CG1 4.35Å; I311-I374 HydrophobicContact CG2-CD1 4.18Å; I311-I374 HydrophobicContact CG2-CG1 3.87Å; N312-I374 WeakPolarHBondContact OD1-CD1 3.45Å; K370-I374 WeakPolarHBondContact O-CD1 3.42Å; K370-I374 WeakPolarHBondContact O-CG1 3.43Å; K370-I374 PolarHBondContact O-N 3.06Å; K371-I374 WeakPolarHBondContact O-CB 3.49Å; K371-I374 PolarHBondContact O-N 3.06Å; K371-I374 VanDerWaalsContact O-N 3.15Å; R372-I374 VanDerWaalsContact C-N 3.34Å; R372-I374 PolarHBondContact O-N 3.29Å; I374-V376 PolarHBondContact O-N 3.38Å; I374-V377 PolarHBondContact O-N 2.84Å; I374-Q378 HydrophobicContact CG2-CG 4.07Å; I374-Q378 VanDerWaalsContact O-CB 3.24Å; I374-Q378 WeakPolarHBondContact O-CB 3.41Å; I374-Q378 VanDerWaalsContact O-CG 3.22Å; I374-Q378 WeakPolarHBondContact O-CG 3.48Å; I374-Q378 PolarHBondContact O-N 3.41Å
375	D	98.3	Very high	98	Very high	73 Å²	73	45.4 Å²	45.4	39%	0.39	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-44.1	-179.8	-62.8	-22.6	0	0	0	111.5	K371 R372 L373 K379	K371-D375 PolarHBondContact O-N 2.65Å; R372-D375 PolarHBondContact O-N 2.73Å; L373-D375 VanDerWaalsContact C-N 3.28Å; L373-D375 PolarHBondContact O-N 3.18Å; D375-K379 WeakPolarHBondContact O-CB 3.44Å; D375-K379 PolarHBondContact O-N 2.84Å; D375-K379 VanDerWaalsContact O-N 3.14Å
376	V	98.2	Very high	98	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.073	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-51.7	176	175.3	0	0	0	0	111.2	L342 F345 L346 R372 L373 I374 K379 I380	L342-V376 HydrophobicContact CD2-CB 4.43Å; L342-V376 HydrophobicContact CD2-CG2 3.88Å; F345-V376 HydrophobicContact CB-CG1 3.75Å; L346-V376 HydrophobicContact CB-CG2 4.45Å; L346-V376 HydrophobicContact CD1-CG2 4.24Å; R372-V376 WeakPolarHBondContact O-CG2 3.29Å; R372-V376 PolarHBondContact O-N 3.36Å; R372-V376 VanDerWaalsContact O-N 3.15Å; L373-V376 PolarHBondContact O-N 3.14Å; I374-V376 PolarHBondContact O-N 3.38Å; V376-K379 PolarHBondContact O-N 3.02Å; V376-I380 HydrophobicContact CG1-CD1 3.86Å; V376-I380 WeakPolarHBondContact O-CG1 3.35Å; V376-I380 PolarHBondContact O-N 3.27Å
377	V	98.1	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-41.1	-175.5	172.7	0	0	0	0	111.4	L110 I298 I307 I311 L373 I374 K379 I380 V381	L110-V377 HydrophobicContact CD1-CG1 3.7Å; L110-V377 HydrophobicContact CD1-CG2 4.01Å; L110-V377 HydrophobicContact CD2-CG1 4.4Å; I298-V377 HydrophobicContact CD1-CG1 4.37Å; I298-V377 HydrophobicContact CG2-CG1 4.11Å; I307-V377 HydrophobicContact CD1-CG1 4.35Å; I307-V377 HydrophobicContact CG2-CB 4.13Å; I307-V377 HydrophobicContact CG2-CG1 3.61Å; I311-V377 HydrophobicContact CD1-CB 4.45Å; I311-V377 HydrophobicContact CD1-CG2 4.47Å; L373-V377 HydrophobicContact CD1-CG2 3.54Å; L373-V377 HydrophobicContact CG-CG2 4.07Å; L373-V377 WeakPolarHBondContact O-CB 3.3Å; L373-V377 WeakPolarHBondContact O-CG2 3.4Å; L373-V377 PolarHBondContact O-N 3.4Å; I374-V377 PolarHBondContact O-N 2.84Å; V377-K379 VanDerWaalsContact C-N 3.32Å; V377-K379 PolarHBondContact O-N 2.65Å; V377-I380 PolarHBondContact O-N 2.96Å; V377-V381 HydrophobicContact CG1-CG2 4.2Å; V377-V381 WeakPolarHBondContact O-CB 3.44Å; V377-V381 WeakPolarHBondContact O-CG2 3.34Å; V377-V381 PolarHBondContact O-N 3.2Å
378	Q	98.4	Very high	98.1	Very high	52 Å²	52	50.9 Å²	50.9	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-41.6	176.4	-77.2	-178.5	-10.8	0	0	111.5	A304 I307 I374 L382	A304-Q378 HydrophobicContact CB-CG 4.24Å; A304-Q378 PolarHBondContact O-NE2 2.68Å; I307-Q378 HydrophobicContact CB-CG 4.32Å; I307-Q378 HydrophobicContact CD1-CG 4.23Å; I307-Q378 HydrophobicContact CG2-CG 4.03Å; I374-Q378 HydrophobicContact CG2-CG 4.07Å; I374-Q378 VanDerWaalsContact O-CB 3.24Å; I374-Q378 WeakPolarHBondContact O-CB 3.41Å; I374-Q378 VanDerWaalsContact O-CG 3.22Å; I374-Q378 WeakPolarHBondContact O-CG 3.48Å; I374-Q378 PolarHBondContact O-N 3.41Å; Q378-L382 WeakPolarHBondContact O-CB 3.07Å; Q378-L382 PolarHBondContact O-N 2.86Å
379	K	98.1	Very high	98.1	Very high	130 Å²	130	54.4 Å²	54.4	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-60.6	-50.3	175.1	-177.9	-178.5	174.1	-174	0	111.4	D375 V376 V377 V381 L382 E383	D375-K379 WeakPolarHBondContact O-CB 3.44Å; D375-K379 PolarHBondContact O-N 2.84Å; D375-K379 VanDerWaalsContact O-N 3.14Å; V376-K379 PolarHBondContact O-N 3.02Å; V377-K379 VanDerWaalsContact C-N 3.32Å; V377-K379 PolarHBondContact O-N 2.65Å; K379-V381 PolarHBondContact O-N 2.74Å; K379-L382 PolarHBondContact O-N 3.42Å; K379-E383 WeakPolarHBondContact CE-OE1 3.45Å; K379-E383 HydrophobicContact CG-CG 4.47Å; K379-E383 WeakPolarHBondContact CG-OE1 3.37Å; K379-E383 IonicContact NZ-OE1 3.2Å; K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 WeakPolarHBondContact O-CG 3.49Å; K379-E383 PolarHBondContact O-N 3.44Å
380	I	97.6	Very high	98	Very high	33 Å²	33	63.2 Å²	63.2	17%	0.169	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-48.5	-179.6	-70.2	169.9	0	0	0	111.3	L113 F345 V376 V377 E383 H384	L113-I380 HydrophobicContact CD1-CG2 4.17Å; F345-I380 HydrophobicContact CB-CD1 3.64Å; F345-I380 HydrophobicContact CD1-CD1 3.63Å; F345-I380 HydrophobicContact CG-CD1 3.84Å; V376-I380 HydrophobicContact CG1-CD1 3.86Å; V376-I380 WeakPolarHBondContact O-CG1 3.35Å; V376-I380 PolarHBondContact O-N 3.27Å; V377-I380 PolarHBondContact O-N 2.96Å; I380-E383 PolarHBondContact O-N 3.28Å; I380-H384 VanDerWaalsContact O-CB 3.28Å; I380-H384 WeakPolarHBondContact O-CB 3.43Å; I380-H384 PolarHBondContact O-N 2.58Å
381	V	97.9	Very high	98	Very high	4 Å²	4	63 Å²	63	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-40	-179.1	172.6	0	0	0	0	111.1	L110 L300 I307 V377 K379 N385	L110-V381 HydrophobicContact CD2-CG2 4.21Å; L300-V381 HydrophobicContact CD2-CG2 4.41Å; L300-V381 VanDerWaalsContact O-CG1 3.29Å; L300-V381 WeakPolarHBondContact O-CG1 3.32Å; I307-V381 HydrophobicContact CD1-CB 3.88Å; I307-V381 HydrophobicContact CD1-CG1 3.99Å; I307-V381 HydrophobicContact CD1-CG2 3.89Å; V377-V381 HydrophobicContact CG1-CG2 4.2Å; V377-V381 WeakPolarHBondContact O-CB 3.44Å; V377-V381 WeakPolarHBondContact O-CG2 3.34Å; V377-V381 PolarHBondContact O-N 3.2Å; K379-V381 PolarHBondContact O-N 2.74Å; V381-N385 WeakPolarHBondContact CG1-ND2 3.44Å; V381-N385 WeakPolarHBondContact O-CB 3.24Å; V381-N385 PolarHBondContact O-N 3.05Å; V381-N385 PolarHBondContact O-ND2 2.93Å
382	L	98	Very high	98	Very high	101 Å²	101	60 Å²	60	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-51.2	176.3	177.9	64	0	0	0	111.5	Q378 K379 H384 N385 Q386	Q378-L382 WeakPolarHBondContact O-CB 3.07Å; Q378-L382 PolarHBondContact O-N 2.86Å; K379-L382 PolarHBondContact O-N 3.42Å; L382-H384 VanDerWaalsContact C-N 3.34Å; L382-H384 PolarHBondContact O-N 2.94Å; L382-N385 PolarHBondContact O-N 3.2Å; L382-Q386 HydrophobicContact CD1-CG 4.5Å; L382-Q386 WeakPolarHBondContact O-CG 3.19Å; L382-Q386 PolarHBondContact O-N 3.38Å
383	E	97.7	Very high	98	Very high	71 Å²	71	61.7 Å²	61.7	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-39.2	-179.8	-70.9	177.5	-176.4	0	0	112.1	K379 I380 Q386 R387	K379-E383 WeakPolarHBondContact CE-OE1 3.45Å; K379-E383 HydrophobicContact CG-CG 4.47Å; K379-E383 WeakPolarHBondContact CG-OE1 3.37Å; K379-E383 IonicContact NZ-OE1 3.2Å; K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 WeakPolarHBondContact O-CG 3.49Å; K379-E383 PolarHBondContact O-N 3.44Å; I380-E383 PolarHBondContact O-N 3.28Å; E383-Q386 PolarHBondContact O-N 3.34Å; E383-R387 WeakPolarHBondContact O-CG 3.35Å; E383-R387 PolarHBondContact O-N 2.91Å; E383-R387 VanDerWaalsContact O-N 3.09Å
384	H	98.1	Very high	97.9	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-48.7	172.9	-178.1	91.5	0	0	0	111.3	D160 L300 I380 L382 Q386 R387 R388	D160-H384 PolarHBondContact O-CE1 3.48Å; D160-H384 IonicContact OD1-NE2 2.92Å; D160-H384 PolarHBondContact OD1-NE2 3.24Å; L300-H384 WeakPolarHBondContact CD1-NE2 3.42Å; I380-H384 VanDerWaalsContact O-CB 3.28Å; I380-H384 WeakPolarHBondContact O-CB 3.43Å; I380-H384 PolarHBondContact O-N 2.58Å; L382-H384 VanDerWaalsContact C-N 3.34Å; L382-H384 PolarHBondContact O-N 2.94Å; H384-Q386 PolarHBondContact O-N 3.42Å; H384-R387 PolarHBondContact O-N 2.85Å; H384-R388 WeakPolarHBondContact O-CB 3.17Å; H384-R388 PolarHBondContact O-N 2.99Å
385	N	97.3	Very high	97.9	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-39.8	-179.9	-76	-31.2	0	0	0	112.4	L300 V381 L382 R387 R388 E389	L300-N385 PolarHBondContact O-ND2 3.41Å; L300-N385 PolarHBondContact O-OD1 2.79Å; L300-N385 VanDerWaalsContact O-OD1 3.12Å; V381-N385 WeakPolarHBondContact CG1-ND2 3.44Å; V381-N385 WeakPolarHBondContact O-CB 3.24Å; V381-N385 PolarHBondContact O-N 3.05Å; V381-N385 PolarHBondContact O-ND2 2.93Å; L382-N385 PolarHBondContact O-N 3.2Å; N385-R387 VanDerWaalsContact C-N 3.28Å; N385-R387 PolarHBondContact O-N 2.93Å; N385-R388 PolarHBondContact O-N 2.91Å; N385-R388 VanDerWaalsContact O-N 3.17Å; N385-E389 WeakPolarHBondContact O-CB 3.49Å; N385-E389 VanDerWaalsContact O-CG 3.31Å; N385-E389 WeakPolarHBondContact O-CG 3.48Å; N385-E389 PolarHBondContact O-N 3.49Å
386	Q	97.7	Very high	97.9	Very high	87 Å²	87	64.2 Å²	64.2	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-36.6	173.7	-72.8	173.9	-5.6	0	0	112.6	L382 E383 H384 R390	L382-Q386 HydrophobicContact CD1-CG 4.5Å; L382-Q386 WeakPolarHBondContact O-CG 3.19Å; L382-Q386 PolarHBondContact O-N 3.38Å; E383-Q386 PolarHBondContact O-N 3.34Å; H384-Q386 PolarHBondContact O-N 3.42Å; Q386-R390 WeakPolarHBondContact O-CG 3.42Å
387	R	98.1	Very high	97.9	Very high	93 Å²	93	70 Å²	70	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-71.7	-44.1	173	-70.5	-173.2	-63.8	-93.7	0.3	111.2	A163 E383 H384 N385 E389 R390	A163-R387 HydrophobicContact CB-CB 4.11Å; A163-R387 WeakPolarHBondContact O-CD 3.4Å; A163-R387 PolarHBondContact O-NE 3.2Å; E383-R387 WeakPolarHBondContact O-CG 3.35Å; E383-R387 PolarHBondContact O-N 2.91Å; E383-R387 VanDerWaalsContact O-N 3.09Å; H384-R387 PolarHBondContact O-N 2.85Å; N385-R387 VanDerWaalsContact C-N 3.28Å; N385-R387 PolarHBondContact O-N 2.93Å; R387-E389 VanDerWaalsContact C-N 3.34Å; R387-E389 PolarHBondContact O-N 3.09Å; R387-R390 WeakPolarHBondContact O-CB 3.38Å; R387-R390 PolarHBondContact O-N 2.98Å; R387-R390 VanDerWaalsContact O-N 3.1Å
388	R	97.9	Very high	97.9	Very high	53 Å²	53	74.1 Å²	74.1	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-39.5	179.1	-167.4	-171.3	-173.2	-79.2	-4.3	112.8	Q156 K159 D160 A163 H384 N385 R390 V391	Q156-R388 PolarHBondContact O-NH2 2.97Å; K159-R388 HydrophobicContact CB-CG 4.33Å; D160-R388 WeakPolarHBondContact OD1-CD 3.46Å; D160-R388 IonicContact OD1-CZ 3.42Å; D160-R388 IonicContact OD1-NE 3.31Å; D160-R388 PolarHBondContact OD1-NE 2.99Å; A163-R388 HydrophobicContact CB-CB 3.73Å; A163-R388 HydrophobicContact CB-CG 4.33Å; H384-R388 WeakPolarHBondContact O-CB 3.17Å; H384-R388 PolarHBondContact O-N 2.99Å; N385-R388 PolarHBondContact O-N 2.91Å; N385-R388 VanDerWaalsContact O-N 3.17Å; R388-R390 PolarHBondContact O-N 3.34Å; R388-V391 WeakPolarHBondContact O-CB 3.41Å; R388-V391 PolarHBondContact O-N 3.45Å
389	E	97.6	Very high	97.9	Very high	162 Å²	162	71.8 Å²	71.8	76%	0.757	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.1	176.3	-77.6	171.7	-176.6	0	0	112.9	N385 R387 V391	N385-E389 WeakPolarHBondContact O-CB 3.49Å; N385-E389 VanDerWaalsContact O-CG 3.31Å; N385-E389 WeakPolarHBondContact O-CG 3.48Å; N385-E389 PolarHBondContact O-N 3.49Å; R387-E389 VanDerWaalsContact C-N 3.34Å; R387-E389 PolarHBondContact O-N 3.09Å; E389-V391 VanDerWaalsContact C-N 3.34Å
390	R	97.6	Very high	97.9	Very high	186 Å²	186	67.6 Å²	67.6	70%	0.702	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9	176.1	-59.3	171.7	-170.7	171	3	113	Q386 R387 R388 T392	Q386-R390 WeakPolarHBondContact O-CG 3.42Å; R387-R390 WeakPolarHBondContact O-CB 3.38Å; R387-R390 PolarHBondContact O-N 2.98Å; R387-R390 VanDerWaalsContact O-N 3.1Å; R388-R390 PolarHBondContact O-N 3.34Å; R390-T392 PolarHBondContact O-N 3.4Å; R390-T392 VanDerWaalsContact O-N 3.16Å
391	V	98.3	Very high	97.9	Very high	13 Å²	13	70.8 Å²	70.8	8%	0.079	33%	0.33	C	S	.	.			trans	-80.3	98.8	179.9	-175.3	0	0	0	0	109.5	K159 I162 R388 E389 T395 V396	K159-V391 HydrophobicContact CB-CG1 4.23Å; K159-V391 HydrophobicContact CG-CG1 3.96Å; I162-V391 HydrophobicContact CB-CG1 4.26Å; I162-V391 HydrophobicContact CB-CG2 4.14Å; I162-V391 HydrophobicContact CD1-CG1 3.95Å; I162-V391 HydrophobicContact CG2-CG1 4.08Å; I162-V391 HydrophobicContact CG2-CG2 3.64Å; R388-V391 WeakPolarHBondContact O-CB 3.41Å; R388-V391 PolarHBondContact O-N 3.45Å; E389-V391 VanDerWaalsContact C-N 3.34Å; V391-T395 HydrophobicContact CG1-CG2 4.09Å; V391-V396 HydrophobicContact CG1-CG2 3.84Å
392	T	98.1	Very high	97.9	Very high	74 Å²	74	72.9 Å²	72.9	45%	0.454	34%	0.343	S	S	.	.			trans	-80.8	168.2	174.8	69.1	0	0	0	0	111.3	R390 E394 T395 V396	R390-T392 PolarHBondContact O-N 3.4Å; R390-T392 VanDerWaalsContact O-N 3.16Å; T392-E394 PolarHBondContact O-N 3.46Å; T392-E394 PolarHBondContact OG1-N 3.22Å; T392-T395 PolarHBondContact N-OG1 3.03Å; T392-T395 WeakPolarHBondContact O-CA 3.14Å; T392-T395 VanDerWaalsContact O-CB 3.3Å; T392-T395 WeakPolarHBondContact O-CB 3.27Å; T392-T395 PolarHBondContact O-N 2.92Å; T392-T395 VanDerWaalsContact O-N 3.1Å; T392-T395 PolarHBondContact OG1-N 2.94Å; T392-T395 PolarHBondContact OG1-OG1 2.93Å; T392-V396 PolarHBondContact O-N 3.43Å
393	D	97.6	Very high	97.8	Very high	103 Å²	103	70.3 Å²	70.3	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-30.9	174.3	-65.1	-3.4	0	0	0	111.7	F155 K159 V396 R397	F155-D393 WeakPolarHBondContact CZ-OD1 3.3Å; K159-D393 IonicContact NZ-OD1 2.62Å; K159-D393 PolarHBondContact NZ-OD1 3.03Å; D393-V396 PolarHBondContact O-N 3.39Å; D393-R397 WeakPolarHBondContact O-CB 3.42Å; D393-R397 PolarHBondContact O-N 3.39Å
394	E	97.8	Very high	97.8	Very high	98 Å²	98	71.7 Å²	71.7	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-38.7	171.6	-176.3	58.5	-156.3	0	0	111.3	T392 V396 R397 Q398	T392-E394 PolarHBondContact O-N 3.46Å; T392-E394 PolarHBondContact OG1-N 3.22Å; E394-V396 VanDerWaalsContact C-N 3.35Å; E394-V396 PolarHBondContact O-N 3.49Å; E394-R397 WeakPolarHBondContact O-CB 3.44Å; E394-R397 PolarHBondContact O-N 2.88Å; E394-R397 IonicContact OE2-NH1 3.58Å; E394-R397 PolarHBondContact OE2-NH1 3.31Å; E394-Q398 WeakPolarHBondContact O-CG 3.21Å; E394-Q398 PolarHBondContact O-N 3.46Å
395	T	98.1	Very high	97.7	Very high	32 Å²	32	72.1 Å²	72.1	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-47.9	171.4	-49.3	0	0	0	0	110.2	I162 V391 T392 R397 Q398 F399	I162-T395 HydrophobicContact CG2-CG2 4.12Å; V391-T395 HydrophobicContact CG1-CG2 4.09Å; T392-T395 PolarHBondContact N-OG1 3.03Å; T392-T395 WeakPolarHBondContact O-CA 3.14Å; T392-T395 VanDerWaalsContact O-CB 3.3Å; T392-T395 WeakPolarHBondContact O-CB 3.27Å; T392-T395 PolarHBondContact O-N 2.92Å; T392-T395 VanDerWaalsContact O-N 3.1Å; T392-T395 PolarHBondContact OG1-N 2.94Å; T392-T395 PolarHBondContact OG1-OG1 2.93Å; T395-R397 VanDerWaalsContact C-N 3.31Å; T395-R397 PolarHBondContact O-N 3.36Å; T395-Q398 WeakPolarHBondContact O-CB 3.42Å; T395-Q398 PolarHBondContact O-N 2.83Å; T395-F399 HydrophobicContact CG2-CD2 4.49Å; T395-F399 HydrophobicContact CG2-CE2 4.18Å; T395-F399 VanDerWaalsContact O-CD2 3.32Å; T395-F399 WeakPolarHBondContact O-CD2 3.23Å; T395-F399 PolarHBondContact O-N 3.43Å
396	V	98.5	Very high	97.7	Very high	4 Å²	4	74.8 Å²	74.8	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-47.2	175.8	174.6	0	0	0	0	110.8	F155 I158 K159 I162 V391 T392 D393 E394 Q398 F399 T400	F155-V396 HydrophobicContact CD2-CG1 3.99Å; F155-V396 HydrophobicContact CE2-CB 4.11Å; F155-V396 HydrophobicContact CE2-CG1 3.66Å; F155-V396 HydrophobicContact CE2-CG2 4.25Å; F155-V396 HydrophobicContact CZ-CG2 4.41Å; I158-V396 HydrophobicContact CG2-CG1 3.85Å; I158-V396 HydrophobicContact CG2-CG2 4.43Å; K159-V396 HydrophobicContact CD-CG2 4.48Å; K159-V396 HydrophobicContact CG-CG2 3.78Å; I162-V396 HydrophobicContact CD1-CG2 4.14Å; V391-V396 HydrophobicContact CG1-CG2 3.84Å; T392-V396 PolarHBondContact O-N 3.43Å; D393-V396 PolarHBondContact O-N 3.39Å; E394-V396 VanDerWaalsContact C-N 3.35Å; E394-V396 PolarHBondContact O-N 3.49Å; V396-Q398 VanDerWaalsContact C-N 3.29Å; V396-Q398 PolarHBondContact O-N 3.19Å; V396-F399 PolarHBondContact O-N 2.69Å; V396-T400 HydrophobicContact CG1-CG2 4.01Å; V396-T400 WeakPolarHBondContact O-CG2 3.45Å; V396-T400 PolarHBondContact O-N 2.97Å; V396-T400 PolarHBondContact O-OG1 2.83Å
397	R	98	Very high	97.6	Very high	135 Å²	135	72.7 Å²	72.7	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-39.6	178.5	-172.8	-175.7	179.8	-152.9	0.6	112.7	D393 E394 T395 F399 T400 Q401	D393-R397 WeakPolarHBondContact O-CB 3.42Å; D393-R397 PolarHBondContact O-N 3.39Å; E394-R397 WeakPolarHBondContact O-CB 3.44Å; E394-R397 PolarHBondContact O-N 2.88Å; E394-R397 IonicContact OE2-NH1 3.58Å; E394-R397 PolarHBondContact OE2-NH1 3.31Å; T395-R397 VanDerWaalsContact C-N 3.31Å; T395-R397 PolarHBondContact O-N 3.36Å; R397-F399 PolarHBondContact O-N 2.83Å; R397-T400 PolarHBondContact O-N 3.42Å; R397-Q401 VanDerWaalsContact O-CB 3.29Å; R397-Q401 WeakPolarHBondContact O-CB 3.42Å; R397-Q401 PolarHBondContact O-N 3.47Å
398	Q	98	Very high	97.1	Very high	85 Å²	85	73.8 Å²	73.8	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-31.3	175.9	-73.3	174.6	-12.6	0	0	112.6	P168 E394 T395 V396 R403	P168-Q398 HydrophobicContact CB-CB 4.22Å; E394-Q398 WeakPolarHBondContact O-CG 3.21Å; E394-Q398 PolarHBondContact O-N 3.46Å; T395-Q398 WeakPolarHBondContact O-CB 3.42Å; T395-Q398 PolarHBondContact O-N 2.83Å; V396-Q398 VanDerWaalsContact C-N 3.29Å; V396-Q398 PolarHBondContact O-N 3.19Å; Q398-R403 PolarHBondContact O-NE 2.86Å; Q398-R403 PolarHBondContact O-NH1 2.92Å; Q398-R403 PolarHBondContact O-NH2 3.43Å
399	F	98.6	Very high	96.7	Very high	3 Å²	3	72 Å²	72	1%	0.013	36%	0.357	C	S	.	.	H	α-helix	trans	-82.1	-35.1	175	-78.3	-97.8	0	0	0	112.5	I162 F166 P168 T171 F172 I173 T395 V396 R397 R403	I162-F399 HydrophobicContact CB-CE2 4.47Å; I162-F399 HydrophobicContact CD1-CB 4.15Å; I162-F399 HydrophobicContact CD1-CD2 3.52Å; I162-F399 HydrophobicContact CD1-CE2 4.02Å; I162-F399 HydrophobicContact CD1-CG 3.86Å; I162-F399 HydrophobicContact CG1-CD1 4.16Å; I162-F399 HydrophobicContact CG1-CD2 3.73Å; I162-F399 HydrophobicContact CG1-CE1 4.28Å; I162-F399 HydrophobicContact CG1-CE2 3.89Å; I162-F399 HydrophobicContact CG1-CG 3.87Å; I162-F399 HydrophobicContact CG1-CZ 4.15Å; I162-F399 HydrophobicContact CG2-CD2 4.38Å; I162-F399 HydrophobicContact CG2-CE2 3.77Å; I162-F399 HydrophobicContact CG2-CZ 4.05Å; F166-F399 HydrophobicContact CB-CE1 4Å; F166-F399 VanDerWaalsContact O-CZ 3.27Å; F166-F399 WeakPolarHBondContact O-CZ 3.4Å; P168-F399 HydrophobicContact CB-CD1 4.47Å; P168-F399 HydrophobicContact CB-CD2 4.02Å; P168-F399 HydrophobicContact CB-CE1 4.28Å; P168-F399 HydrophobicContact CB-CE2 3.78Å; P168-F399 HydrophobicContact CB-CG 4.37Å; P168-F399 HydrophobicContact CB-CZ 3.93Å; P168-F399 HydrophobicContact CG-CE2 4.12Å; P168-F399 HydrophobicContact CG-CZ 4.24Å; T171-F399 HydrophobicContact CG2-CD1 4.05Å; T171-F399 HydrophobicContact CG2-CE1 4.18Å; F172-F399 WeakPolarHBondContact CD2-O 3.23Å; I173-F399 HydrophobicContact CB-CB 4.28Å; I173-F399 HydrophobicContact CD1-CB 3.92Å; I173-F399 HydrophobicContact CD1-CD1 3.61Å; I173-F399 HydrophobicContact CD1-CE1 4.43Å; I173-F399 HydrophobicContact CD1-CG 3.99Å; I173-F399 HydrophobicContact CG1-CB 4.02Å; I173-F399 HydrophobicContact CG1-CD1 3.95Å; I173-F399 HydrophobicContact CG1-CG 4.4Å; I173-F399 PolarHBondContact N-O 2.81Å; I173-F399 VanDerWaalsContact N-O 3.09Å; T395-F399 HydrophobicContact CG2-CD2 4.49Å; T395-F399 HydrophobicContact CG2-CE2 4.18Å; T395-F399 VanDerWaalsContact O-CD2 3.32Å; T395-F399 WeakPolarHBondContact O-CD2 3.23Å; T395-F399 PolarHBondContact O-N 3.43Å; V396-F399 PolarHBondContact O-N 2.69Å; R397-F399 PolarHBondContact O-N 2.83Å; F399-R403 PolarHBondContact O-NH1 2.87Å; F399-R403 VanDerWaalsContact O-NH1 3.17Å
400	T	98.2	Very high	95.9	Very high	43 Å²	43	68.7 Å²	68.7	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-93.9	-12.2	-170.9	65.5	0	0	0	0	115.5	I158 I173 V396 R397	I158-T400 HydrophobicContact CD1-CG2 3.93Å; I158-T400 HydrophobicContact CG2-CG2 4.37Å; I173-T400 WeakPolarHBondContact O-CA 3.35Å; I173-T400 WeakPolarHBondContact O-CG2 3.42Å; V396-T400 HydrophobicContact CG1-CG2 4.01Å; V396-T400 WeakPolarHBondContact O-CG2 3.45Å; V396-T400 PolarHBondContact O-N 2.97Å; V396-T400 PolarHBondContact O-OG1 2.83Å; R397-T400 PolarHBondContact O-N 3.42Å
401	Q	97.3	Very high	94.8	Very high	100 Å²	100	62.8 Å²	62.8	47%	0.467	34%	0.34	S	S	.	.	S	Bend	trans	-71.1	131.1	176.9	-177.5	176.6	8.8	0	0	111.3	R397 R403	R397-Q401 VanDerWaalsContact O-CB 3.29Å; R397-Q401 WeakPolarHBondContact O-CB 3.42Å; R397-Q401 PolarHBondContact O-N 3.47Å; Q401-R403 WeakPolarHBondContact O-CG 3.47Å; Q401-R403 PolarHBondContact O-N 2.94Å; Q401-R403 VanDerWaalsContact O-N 3.13Å; Q401-R403 PolarHBondContact O-NH1 2.69Å
402	V	97.6	Very high	93.5	Very high	48 Å²	48	65.2 Å²	65.2	29%	0.291	36%	0.356	S	S	.	.			trans	-60.7	110.5	170.2	177.6	0	0	0	0	109.8	F172 F179 Q182 F234	F172-V402 HydrophobicContact CE2-CG2 4.42Å; F172-V402 HydrophobicContact CZ-CG2 4.26Å; F179-V402 HydrophobicContact CD2-CG2 4.1Å; F179-V402 HydrophobicContact CE2-CG2 3.9Å; Q182-V402 HydrophobicContact CB-CG2 4.29Å; F234-V402 HydrophobicContact CB-CG1 4.1Å; F234-V402 HydrophobicContact CD1-CG1 3.53Å; F234-V402 HydrophobicContact CD2-CG1 3.72Å; F234-V402 HydrophobicContact CE1-CG1 3.8Å; F234-V402 HydrophobicContact CE2-CG1 3.95Å; F234-V402 HydrophobicContact CG-CG1 3.5Å; F234-V402 VanDerWaalsContact CG-CG1 3.5Å; F234-V402 HydrophobicContact CZ-CG1 3.99Å; F234-V402 HydrophobicContact CZ-CG2 4.44Å
403	R	96.6	Very high	91.8	Very high	46 Å²	46	66.1 Å²	66.1	17%	0.174	37%	0.371	C	S	.	.			trans	-157.7	155.6	-175.8	70.7	-171.9	-177.7	-66.8	-3.1	111.2	P168 T171 F234 Q398 F399 Q401	P168-R403 PolarHBondContact O-NH2 2.87Å; T171-R403 PolarHBondContact O-NH2 3.28Å; F234-R403 VanDerWaalsContact CD2-O 3.25Å; F234-R403 WeakPolarHBondContact CD2-O 3.14Å; Q398-R403 PolarHBondContact O-NE 2.86Å; Q398-R403 PolarHBondContact O-NH1 2.92Å; Q398-R403 PolarHBondContact O-NH2 3.43Å; F399-R403 PolarHBondContact O-NH1 2.87Å; F399-R403 VanDerWaalsContact O-NH1 3.17Å; Q401-R403 WeakPolarHBondContact O-CG 3.47Å; Q401-R403 PolarHBondContact O-N 2.94Å; Q401-R403 VanDerWaalsContact O-N 3.13Å; Q401-R403 PolarHBondContact O-NH1 2.69Å
404	P	96.2	Very high	89.6	Confident	100 Å²	100	73.6 Å²	73.6	65%	0.649	39%	0.392	S	S	*	.			trans	-58	140.3	164.3	-20.5	32.9	0	0	0	111.3	F234	F234-P404 VanDerWaalsContact O-CA 3.31Å; F234-P404 WeakPolarHBondContact O-CA 3.14Å
405	L	97.7	Very high	87	Confident	12 Å²	12	72 Å²	72	6%	0.063	40%	0.401	C	S	.	.			trans	-83.3	172.8	165.2	-61.2	-179.2	0	0	0	109.2	P129 E169 K170 I235 Y407	P129-L405 HydrophobicContact CB-CD1 3.56Å; E169-L405 WeakPolarHBondContact O-CB 3.4Å; K170-L405 WeakPolarHBondContact O-CD1 3.43Å; I235-L405 HydrophobicContact CD1-CD1 4.01Å; I235-L405 HydrophobicContact CD1-CG 4.32Å; I235-L405 HydrophobicContact CG1-CD1 4.43Å; I235-L405 HydrophobicContact CG1-CG 4.31Å; I235-L405 HydrophobicContact CG2-CB 4.46Å; I235-L405 HydrophobicContact CG2-CD1 3.9Å; I235-L405 HydrophobicContact CG2-CG 4.16Å; L405-Y407 HydrophobicContact CB-CD2 4.03Å; L405-Y407 PolarHBondContact O-N 3.13Å
406	K	96.7	Very high	83.9	Confident	94 Å²	94	80.4 Å²	80.4	41%	0.409	44%	0.435	S	S	.	.	S	Bend	trans	-62.9	-8.1	-174.9	73.2	179.8	-156.6	164.7	0	115.6	D127 E169 K170	D127-K406 IonicContact OD1-NZ 3.96Å; D127-K406 PolarHBondContact OD1-NZ 3.44Å; D127-K406 IonicContact OD2-NZ 2.98Å; E169-K406 HydrophobicContact CB-CB 4.28Å; E169-K406 HydrophobicContact CB-CD 4.35Å; E169-K406 HydrophobicContact CG-CD 4.07Å; E169-K406 PolarHBondContact O-N 3.23Å; E169-K406 WeakPolarHBondContact OE1-CD 3.39Å; E169-K406 IonicContact OE1-NZ 2.73Å; E169-K406 PolarHBondContact OE1-NZ 2.87Å; K170-K406 HydrophobicContact CG-CD 3.82Å; K170-K406 HydrophobicContact CG-CG 4.38Å
407	Y	95.3	Very high	81	Confident	42 Å²	42	93.9 Å²	93.9	17%	0.165	49%	0.494	C	S	.	.			trans	-85.9	140.8	-175.4	-54.9	-77.4	0	0	0	111.3	D127 V128 P129 K170 L405	D127-Y407 VanDerWaalsContact C-OH 3.29Å; D127-Y407 WeakPolarHBondContact O-CE1 3.43Å; D127-Y407 PolarHBondContact O-OH 2.89Å; D127-Y407 PolarHBondContact OD1-OH 3.31Å; V128-Y407 VanDerWaalsContact C-OH 3.27Å; V128-Y407 PolarHBondContact N-OH 3.49Å; V128-Y407 PolarHBondContact O-OH 2.87Å; P129-Y407 VanDerWaalsContact CA-CE2 3.49Å; P129-Y407 HydrophobicContact CB-CD2 3.63Å; P129-Y407 HydrophobicContact CB-CE2 3.64Å; P129-Y407 HydrophobicContact CG-CD2 3.81Å; P129-Y407 HydrophobicContact CG-CE2 4.05Å; P129-Y407 HydrophobicContact CG-CG 4.35Å; P129-Y407 VanDerWaalsContact N-CE2 3.31Å; K170-Y407 HydrophobicContact CB-CE2 4.15Å; K170-Y407 WeakPolarHBondContact CD-OH 3.36Å; K170-Y407 HydrophobicContact CG-CE2 4.19Å; K170-Y407 WeakPolarHBondContact CG-OH 3.43Å; L405-Y407 HydrophobicContact CB-CD2 4.03Å; L405-Y407 PolarHBondContact O-N 3.13Å
408	S	88.3	Confident	80.1	Confident	116 Å²	116	91.9 Å²	91.9	81%	0.811	49%	0.493	S	S	*	.			trans	-103.3	119.2	178.5	178.3	0	0	0	0	110.8
409	Y	88.8	Confident	79.2	Confident	16 Å²	16	92.2 Å²	92.2	6%	0.063	50%	0.498	C	S	.	.			trans	-110.1	120.1	174.2	-64.4	-83	0	0	0	109.7	P94 P129 I235 F236 N237 V242 A411	P94-Y409 HydrophobicContact CB-CE1 3.7Å; P94-Y409 HydrophobicContact CG-CD1 4.35Å; P94-Y409 HydrophobicContact CG-CE1 3.86Å; P129-Y409 WeakPolarHBondContact CG-OH 3.35Å; I235-Y409 WeakPolarHBondContact O-CD2 3.33Å; F236-Y409 HydrophobicContact CD1-CD2 4.3Å; F236-Y409 HydrophobicContact CD1-CE1 4.14Å; F236-Y409 AromaticContact CD1-CE2 3.77Å; F236-Y409 HydrophobicContact CD1-CE2 3.77Å; F236-Y409 AromaticContact CD1-CZ 3.7Å; F236-Y409 HydrophobicContact CE1-CE2 4.26Å; N237-Y409 PolarHBondContact ND2-O 3.44Å; V242-Y409 HydrophobicContact CG1-CE1 4.3Å; V242-Y409 HydrophobicContact CG2-CD1 4.2Å; V242-Y409 HydrophobicContact CG2-CE1 4.09Å; Y409-A411 PolarHBondContact O-N 3.22Å
410	P	80.9	Confident	78.1	Confident	92 Å²	92	97.2 Å²	97.2	60%	0.597	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-61.2	135.7	173.4	25.9	-32.3	0	0	0	108.9
411	A	74.5	Confident	76.9	Confident	62 Å²	62	100.4 Å²	100.4	51%	0.512	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.6	145.3	177.1	0	0	0	0	0	109.7	N237 Y409 A413	N237-A411 WeakPolarHBondContact ND2-CA 3.45Å; N237-A411 PolarHBondContact ND2-N 3.28Å; Y409-A411 PolarHBondContact O-N 3.22Å; A411-A413 PolarHBondContact O-N 3.09Å
412	P	70.1	Confident	75.7	Confident	64 Å²	64	100.4 Å²	100.4	42%	0.416	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-51.3	134.7	172.3	-22.2	29.7	0	0	0	109.6	N237 R239 R414	N237-P412 WeakPolarHBondContact O-CD 3.43Å; R239-P412 HydrophobicContact CG-CG 4.08Å; P412-R414 PolarHBondContact O-N 2.88Å; P412-R414 VanDerWaalsContact O-N 3.08Å
413	A	64	Low	74.2	Confident	93 Å²	93	103.9 Å²	103.9	77%	0.769	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-54.1	122.3	172.8	0	0	0	0	0	107.9	A411 G415	A411-A413 PolarHBondContact O-N 3.09Å; A413-G415 VanDerWaalsContact C-N 3.32Å; A413-G415 PolarHBondContact O-N 2.95Å
414	R	50.5	Low	72.6	Confident	261 Å²	261	108 Å²	108	99%	0.985	59%	0.589	S	S	*	*	S	Bend	trans	-58.2	94.3	178.8	-75.7	-177.8	178.6	-179.8	0.1	108.9	P412	P412-R414 PolarHBondContact O-N 2.88Å; P412-R414 VanDerWaalsContact O-N 3.08Å
415	G	44	Very low	70.8	Confident	63 Å²	63	108.6 Å²	108.6	65%	0.649	59%	0.585	S	S	*	*			trans	153.7	75.7	-179.6	0	0	0	0	0	114.7	A413	A413-G415 VanDerWaalsContact C-N 3.32Å; A413-G415 PolarHBondContact O-N 2.95Å
416	K	32.7	Very low	68.5	Low	210 Å²	210	116.7 Å²	116.7	91%	0.913	63%	0.628	S	S	*	*			trans	169.2	93.5	141.9	-93.6	171.4	-173	-174.7	0	107.6
417	K	36.7	Very low	66	Low	287 Å²	287	118.7 Å²	118.7	100%	1.248	65%	0.648	S	S	*	*			trans	-93.7	0	150.7	-90.5	-169.5	175.3	-175	0	107.4

Retrieved 417 of 417 residues in 750.5 ms (Link to these results)

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