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6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession A0A087WRM7, Species MOUSE (Mus musculus, Mouse), Gene Pfkfb2, Length 556 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	30.2	Very low	27.2	Very low	238 Å²	238	149.5 Å²	149.5	100%	1.172	82%	0.824	S	S	*	*				0	124	0	-83.7	174.5	159	0	0	107.3
2	S	28.3	Very low	26.8	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	82%	0.818	S	S	*	*			trans	54.4	137.8	160.8	54.3	0	0	0	0	119.8
3	E	30	Very low	26.7	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	82%	0.824	S	S	*	*			cis	-176.9	162.3	-12.5	-130.1	174.6	-159.6	0	0	106.7
4	N	26.8	Very low	26.4	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	82%	0.817	S	S	*	*			trans	80.9	100.4	161.5	-69.5	-13.7	0	0	0	123
5	S	28	Very low	26.3	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	81%	0.813	S	S	*	*				7.4	134.3	127.2	47.1	0	0	0	0	121.2
6	T	25.2	Very low	26.2	Very low	148 Å²	148	148 Å²	148	91%	0.908	82%	0.819	S	S	*	*			trans	-126.3	140.7	158.7	27.8	0	0	0	0	111
7	F	25.4	Very low	26.2	Very low	191 Å²	191	150.6 Å²	150.6	84%	0.838	82%	0.82	S	S	*	*			trans	-93.4	148.6	-176.8	-134.7	-96.3	0	0	0	110.1
8	S	23.7	Very low	26.3	Very low	121 Å²	121	149.1 Å²	149.1	85%	0.846	82%	0.819	S	S	*	*			trans	-163.7	125.1	154.6	-62.2	0	0	0	0	110.9
9	P	30.6	Very low	26.3	Very low	95 Å²	95	151.5 Å²	151.5	62%	0.617	82%	0.824	S	S	*	*			trans	-108.9	152.8	173.6	36.7	-25.9	0	0	0	113.6
10	E	25.8	Very low	26.4	Very low	179 Å²	179	148.3 Å²	148.3	84%	0.836	82%	0.819	S	S	*	*			trans	61.6	139.5	151	-64.5	173.8	-179.6	0	0	117.7
11	D	25.2	Very low	26.4	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	81%	0.814	S	S	*	*			cis	-169.5	176.8	20.2	-137.3	-21.9	0	0	0	111.3
12	C	22.2	Very low	26.3	Very low	112 Å²	112	142 Å²	142	76%	0.757	80%	0.796	S	S	*	*			trans	103.9	90.9	159.6	-69.5	0	0	0	0	121.7
13	N	25.3	Very low	26.3	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	80%	0.799	S	S	*	*				54.4	119.2	121.3	-106.3	-11	0	0	0	122.2
14	S	23.3	Very low	26.2	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	80%	0.804	S	S	*	*				-177.9	127.5	123.1	173.7	0	0	0	0	114.6
15	S	24.1	Very low	26.5	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	81%	0.812	S	S	*	*			trans	88	110.6	145	73.1	0	0	0	0	122.3
16	Y	25.7	Very low	26.7	Very low	232 Å²	232	151.4 Å²	151.4	91%	0.91	81%	0.811	S	S	*	*			trans	-30.3	135.3	157.6	-85.6	-104.4	0	0	0	118.2
17	K	25.5	Very low	27.4	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	79%	0.791	S	S	*	*			trans	-140.5	137.7	140.8	-78.6	-171.8	-179.9	174.7	0	110.2
18	P	28.2	Very low	28.5	Very low	124 Å²	124	144.5 Å²	144.5	81%	0.805	78%	0.782	S	S	*	*			trans	-78	127.7	-179.1	30.8	-30.7	0	0	0	110.8	A20	P18-A20 PolarHBondContact O-N 3.17Å
19	H	26	Very low	30.3	Very low	194 Å²	194	142.9 Å²	142.9	90%	0.898	77%	0.767	S	S	*	*			trans	-69.3	105.3	170.1	-95.8	-74.9	0	0	0	110.2	S21	H19-S21 PolarHBondContact O-N 3.48Å
20	A	27.9	Very low	32.2	Very low	88 Å²	88	140.8 Å²	140.8	73%	0.727	75%	0.753	S	S	*	*			trans	-79.3	92.1	164.5	0	0	0	0	0	109.5	P18 N22	P18-A20 PolarHBondContact O-N 3.17Å; A20-N22 VanDerWaalsContact C-N 3.29Å; A20-N22 PolarHBondContact O-N 3.39Å; A20-N22 VanDerWaalsContact O-N 3.15Å
21	S	26.3	Very low	34.8	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	72%	0.715	S	S	*	*			trans	-84.6	69.4	170.6	51.5	0	0	0	0	111	H19 L23	H19-S21 PolarHBondContact O-N 3.48Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.73Å
22	N	27.8	Very low	37.4	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	70%	0.696	S	S	*	*			trans	-78.4	83.7	166.6	-92.8	-32.5	0	0	0	110	A20 R24	A20-N22 VanDerWaalsContact C-N 3.29Å; A20-N22 PolarHBondContact O-N 3.39Å; A20-N22 VanDerWaalsContact O-N 3.15Å; N22-R24 VanDerWaalsContact C-N 3.3Å; N22-R24 PolarHBondContact O-N 3.25Å
23	L	28.4	Very low	39.8	Very low	163 Å²	163	125.1 Å²	125.1	85%	0.853	66%	0.662	S	S	*	*			trans	-67.1	92.3	160	-95.8	125	0	0	0	108.5	S21 R25	S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 2.73Å; L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 3.29Å
24	R	29	Very low	42.4	Very low	239 Å²	239	117.7 Å²	117.7	90%	0.902	62%	0.623	S	S	*	*			trans	-61.1	92.2	165.3	-77.9	-179.4	173.3	-175.6	-0.6	108.7	N22 A26	N22-R24 VanDerWaalsContact C-N 3.3Å; N22-R24 PolarHBondContact O-N 3.25Å; R24-A26 PolarHBondContact O-N 3.27Å
25	R	33.7	Very low	45	Very low	238 Å²	238	119.8 Å²	119.8	90%	0.898	62%	0.616	S	S	*	*			trans	-51.6	133.1	163.7	-95.6	177	166.3	174.9	-4.3	108.6	L23 G27	L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 3.29Å; R25-G27 PolarHBondContact O-N 2.95Å; R25-G27 VanDerWaalsContact O-N 3.13Å
26	A	32.1	Very low	47.7	Very low	89 Å²	89	117.6 Å²	117.6	74%	0.736	60%	0.595	S	S	*	*			trans	-45.6	119.7	172.8	0	0	0	0	0	110.1	R24 K28	R24-A26 PolarHBondContact O-N 3.27Å; A26-K28 PolarHBondContact O-N 2.78Å
27	G	39.3	Very low	50.2	Low	48 Å²	48	107.2 Å²	107.2	50%	0.495	56%	0.556	S	S	.	*			trans	-62.2	110.4	-169.6	0	0	0	0	0	111.8	R25	R25-G27 PolarHBondContact O-N 2.95Å; R25-G27 VanDerWaalsContact O-N 3.13Å
28	K	47.9	Very low	52.7	Low	147 Å²	147	104.8 Å²	104.8	64%	0.639	55%	0.552	S	S	*	*			trans	-66.3	129.1	168.2	-68.1	-178.6	175.8	-175.6	0	108.2	A26 C30 S123	A26-K28 PolarHBondContact O-N 2.78Å; K28-C30 PolarHBondContact O-N 2.96Å; K28-S123 PolarHBondContact NZ-OG 3.49Å
29	T	62	Low	55.5	Low	87 Å²	87	101 Å²	101	53%	0.534	53%	0.528	S	S	.	.			trans	-63.7	101.2	166.7	41.9	0	0	0	0	107.7
30	C	71.2	Confident	58.8	Low	50 Å²	50	93.5 Å²	93.5	34%	0.338	50%	0.497	S	S	.	.			trans	-121.1	150.9	-178.5	56.2	0	0	0	0	109.6	K28	K28-C30 PolarHBondContact O-N 2.96Å
31	S	78.8	Confident	62.1	Low	4 Å²	4	89.3 Å²	89.3	3%	0.028	46%	0.462	C	S	.	.			trans	-65	163.2	174.9	72.6	0	0	0	0	110.4	A33 S34 Y35 I67 G68	S31-A33 VanDerWaalsContact C-N 3.27Å; S31-A33 PolarHBondContact O-N 2.85Å; S31-S34 PolarHBondContact O-N 3.29Å; S31-S34 VanDerWaalsContact O-N 3.14Å; S31-S34 PolarHBondContact OG-N 2.98Å; S31-Y35 WeakPolarHBondContact O-CB 3.4Å; S31-Y35 PolarHBondContact O-N 3.07Å; S31-I67 VanDerWaalsContact CB-O 3.23Å; S31-I67 WeakPolarHBondContact CB-O 3.46Å; S31-I67 PolarHBondContact OG-O 3.17Å; S31-G68 WeakPolarHBondContact OG-CA 3.45Å; S31-G68 PolarHBondContact OG-O 2.87Å
32	W	80.8	Confident	65.5	Low	94 Å²	94	84.4 Å²	84.4	36%	0.356	43%	0.428	S	S	.	.	H	α-helix	trans	-55.7	-42	176.4	177.2	-109.3	0	0	0	112.9	S34 Y35 M36 F469	W32-S34 PolarHBondContact O-N 3.5Å; W32-Y35 HydrophobicContact CE3-CD1 4.25Å; W32-Y35 HydrophobicContact CZ3-CD1 4.21Å; W32-Y35 HydrophobicContact CZ3-CE1 4.5Å; W32-Y35 PolarHBondContact O-N 2.97Å; W32-M36 HydrophobicContact CD2-CE 4.36Å; W32-M36 HydrophobicContact CE3-CE 4.4Å; W32-M36 HydrophobicContact CH2-CE 3.2Å; W32-M36 HydrophobicContact CZ2-CE 3.08Å; W32-M36 HydrophobicContact CZ3-CE 3.87Å; W32-M36 WeakPolarHBondContact O-CG 3.37Å; W32-M36 PolarHBondContact O-N 3.12Å; W32-M36 VanDerWaalsContact O-N 3.12Å; W32-F469 AromaticContact CE3-CE1 3.92Å; W32-F469 HydrophobicContact CE3-CE1 3.92Å; W32-F469 HydrophobicContact CE3-CE2 4.45Å; W32-F469 AromaticContact CE3-CZ 3.51Å; W32-F469 HydrophobicContact CE3-CZ 3.51Å; W32-F469 HydrophobicContact CH2-CE1 4.35Å; W32-F469 AromaticContact CZ3-CE1 3.63Å; W32-F469 HydrophobicContact CZ3-CE1 3.63Å; W32-F469 HydrophobicContact CZ3-CE2 4.45Å; W32-F469 AromaticContact CZ3-CZ 3.58Å; W32-F469 HydrophobicContact CZ3-CZ 3.58Å
33	A	72.5	Confident	68.9	Low	7 Å²	7	77.3 Å²	77.3	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-39.7	178.6	0	0	0	0	0	112.2	S31 M36 T37 I67 V69 Y235	S31-A33 VanDerWaalsContact C-N 3.27Å; S31-A33 PolarHBondContact O-N 2.85Å; A33-M36 PolarHBondContact O-N 3.48Å; A33-T37 PolarHBondContact O-N 3Å; A33-T37 PolarHBondContact O-OG1 3.3Å; A33-I67 HydrophobicContact CB-CB 4.47Å; A33-I67 HydrophobicContact CB-CD1 3.77Å; A33-I67 HydrophobicContact CB-CG1 4.1Å; A33-V69 HydrophobicContact CB-CG2 3.57Å; A33-Y235 HydrophobicContact CB-CE1 4.18Å
34	S	79.2	Confident	72.3	Confident	9 Å²	9	69.5 Å²	69.5	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-69.3	-38.3	176	-176.8	0	0	0	0	112.3	S31 W32 M36 T37 G68 Q125	S31-S34 PolarHBondContact O-N 3.29Å; S31-S34 VanDerWaalsContact O-N 3.14Å; S31-S34 PolarHBondContact OG-N 2.98Å; W32-S34 PolarHBondContact O-N 3.5Å; S34-M36 VanDerWaalsContact C-N 3.25Å; S34-M36 PolarHBondContact O-N 3.38Å; S34-T37 PolarHBondContact O-N 3.34Å; S34-T37 VanDerWaalsContact O-N 3.09Å; S34-G68 WeakPolarHBondContact CB-O 3.34Å; S34-Q125 VanDerWaalsContact OG-CD 3.29Å; S34-Q125 PolarHBondContact OG-NE2 3.12Å; S34-Q125 PolarHBondContact OG-OE1 3.43Å
35	Y	78.6	Confident	75.6	Confident	149 Å²	149	58.1 Å²	58.1	58%	0.584	31%	0.306	S	S	*	.	H	α-helix	trans	-59.6	-36.4	174.5	178.1	-103.6	0	0	0	112.4	S31 W32 T37	S31-Y35 WeakPolarHBondContact O-CB 3.4Å; S31-Y35 PolarHBondContact O-N 3.07Å; W32-Y35 HydrophobicContact CE3-CD1 4.25Å; W32-Y35 HydrophobicContact CZ3-CD1 4.21Å; W32-Y35 HydrophobicContact CZ3-CE1 4.5Å; W32-Y35 PolarHBondContact O-N 2.97Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.46Å
36	M	79.9	Confident	78.7	Confident	63 Å²	63	46.8 Å²	46.8	31%	0.31	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.9	177.9	-72	-65	-179.5	0	0	114.3	W32 A33 S34 N38 Y235	W32-M36 HydrophobicContact CD2-CE 4.36Å; W32-M36 HydrophobicContact CE3-CE 4.4Å; W32-M36 HydrophobicContact CH2-CE 3.2Å; W32-M36 HydrophobicContact CZ2-CE 3.08Å; W32-M36 HydrophobicContact CZ3-CE 3.87Å; W32-M36 WeakPolarHBondContact O-CG 3.37Å; W32-M36 PolarHBondContact O-N 3.12Å; W32-M36 VanDerWaalsContact O-N 3.12Å; A33-M36 PolarHBondContact O-N 3.48Å; S34-M36 VanDerWaalsContact C-N 3.25Å; S34-M36 PolarHBondContact O-N 3.38Å; M36-N38 PolarHBondContact O-N 3.15Å; M36-Y235 HydrophobicContact CB-CD1 3.53Å; M36-Y235 HydrophobicContact CB-CE1 4.05Å; M36-Y235 HydrophobicContact CB-CG 3.98Å; M36-Y235 HydrophobicContact CG-CD1 4.19Å; M36-Y235 HydrophobicContact CG-CE1 4.44Å; M36-Y235 HydrophobicContact CG-CG 4.38Å
37	T	79	Confident	81.8	Confident	14 Å²	14	42.6 Å²	42.6	9%	0.086	23%	0.228	C	C	.	.			trans	-92.4	92.1	-178.4	-55.7	0	0	0	0	110	A33 S34 Y35 Q125 I236	A33-T37 PolarHBondContact O-N 3Å; A33-T37 PolarHBondContact O-OG1 3.3Å; S34-T37 PolarHBondContact O-N 3.34Å; S34-T37 VanDerWaalsContact O-N 3.09Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.46Å; T37-Q125 HydrophobicContact CG2-CB 4.12Å; T37-I236 HydrophobicContact CG2-CG2 4.47Å
38	N	77.3	Confident	84.5	Confident	140 Å²	140	40.8 Å²	40.8	75%	0.749	21%	0.207	S	C	*	.			trans	-78.7	-38.9	-171.2	-67.9	-25.7	0	0	0	114.8	M36	M36-N38 PolarHBondContact O-N 3.15Å
39	S	87.3	Confident	86.6	Confident	45 Å²	45	34.1 Å²	34.1	32%	0.315	18%	0.179	S	C	.	.	S	Bend	trans	-126.5	141.3	-179.9	-54.1	0	0	0	0	109.3	T41	S39-T41 PolarHBondContact O-N 3.06Å; S39-T41 PolarHBondContact O-OG1 2.88Å
40	P	95.2	Very high	87.9	Confident	37 Å²	37	30.5 Å²	30.5	24%	0.24	16%	0.158	C	C	.	.			trans	-55.5	139.2	176.3	-23.2	32.7	0	0	0	111.6	F119 Q125 F151 K152	P40-F119 HydrophobicContact CB-CB 4.18Å; P40-F119 HydrophobicContact CB-CD1 3.65Å; P40-F119 HydrophobicContact CB-CD2 3.92Å; P40-F119 HydrophobicContact CB-CE1 3.85Å; P40-F119 HydrophobicContact CB-CE2 4.1Å; P40-F119 HydrophobicContact CB-CG 3.67Å; P40-F119 HydrophobicContact CB-CZ 4.05Å; P40-F119 HydrophobicContact CG-CB 4.34Å; P40-F119 HydrophobicContact CG-CD1 4.49Å; P40-F119 HydrophobicContact CG-CG 4.36Å; P40-Q125 CarbonylContact C-O 3.59Å; P40-Q125 VanDerWaalsContact CA-O 3.27Å; P40-Q125 WeakPolarHBondContact CA-O 3.46Å; P40-F151 HydrophobicContact CB-CD1 4.03Å; P40-F151 HydrophobicContact CB-CE1 4.43Å; P40-F151 HydrophobicContact CG-CD1 4.34Å; P40-F151 HydrophobicContact CG-CE1 4.48Å; P40-K152 PolarHBondContact O-N 3.31Å
41	T	98.2	Very high	88.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.5	-176.2	-60.4	0	0	0	0	110.7	S39 I43 F119 Q125 I126 A127 K152 F154	S39-T41 PolarHBondContact O-N 3.06Å; S39-T41 PolarHBondContact O-OG1 2.88Å; T41-I43 HydrophobicContact CG2-CG1 4.47Å; T41-F119 WeakPolarHBondContact O-CZ 3.16Å; T41-Q125 PolarHBondContact N-O 2.77Å; T41-I126 WeakPolarHBondContact O-CA 3.34Å; T41-A127 PolarHBondContact O-N 2.95Å; T41-A127 VanDerWaalsContact O-N 3.09Å; T41-K152 HydrophobicContact CG2-CB 4.3Å; T41-F154 HydrophobicContact CG2-CB 4.27Å
42	L	98.6	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.5	171.4	-176.9	58.8	0	0	0	109.5	V44 L112 V115 A127 F129 I142 F145 K152 V153 F154	L42-V44 HydrophobicContact CD2-CG2 4.13Å; L42-V44 HydrophobicContact CG-CG2 3.83Å; L42-L112 HydrophobicContact CD2-CD2 4.28Å; L42-V115 HydrophobicContact CD1-CG1 3.87Å; L42-V115 HydrophobicContact CD1-CG2 4.35Å; L42-A127 HydrophobicContact CD1-CB 3.9Å; L42-F129 HydrophobicContact CD1-CB 3.92Å; L42-I142 HydrophobicContact CD2-CG2 3.61Å; L42-F145 HydrophobicContact CD2-CD1 4.45Å; L42-F145 HydrophobicContact CD2-CE1 4.48Å; L42-K152 PolarHBondContact N-O 3.4Å; L42-V153 WeakPolarHBondContact O-CA 3.1Å; L42-F154 PolarHBondContact O-N 2.94Å
43	I	98.8	Very high	89.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.6	171	-59.8	179	0	0	0	108.2	T41 M45 L60 L64 I126 A127 V128 F129 F154 V156 I240	T41-I43 HydrophobicContact CG2-CG1 4.47Å; I43-M45 HydrophobicContact CG2-SD 4.24Å; I43-L60 HydrophobicContact CD1-CD2 3.78Å; I43-L64 HydrophobicContact CD1-CD1 4.32Å; I43-I126 HydrophobicContact CD1-CG2 3.55Å; I43-I126 HydrophobicContact CG1-CG2 3.82Å; I43-A127 PolarHBondContact N-O 3.49Å; I43-V128 HydrophobicContact CB-CG2 4.26Å; I43-V128 HydrophobicContact CD1-CG2 4.26Å; I43-V128 HydrophobicContact CG2-CG1 4.38Å; I43-V128 CarbonylContact O-C 3.53Å; I43-V128 WeakPolarHBondContact O-CA 3.22Å; I43-F129 PolarHBondContact O-N 2.65Å; I43-F154 CarbonylContact C-O 3.51Å; I43-F154 VanDerWaalsContact CA-O 3.26Å; I43-F154 WeakPolarHBondContact CA-O 3.25Å; I43-V156 HydrophobicContact CG2-CG2 3.77Å; I43-I240 HydrophobicContact CD1-CD1 3.51Å; I43-I240 HydrophobicContact CD1-CG1 4.26Å; I43-I240 HydrophobicContact CG1-CD1 4.29Å
44	V	98.8	Very high	90.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.3	-176.2	-178	0	0	0	0	109.6	L42 N133 I142 V153 F154 F155 V156	L42-V44 HydrophobicContact CD2-CG2 4.13Å; L42-V44 HydrophobicContact CG-CG2 3.83Å; V44-N133 HydrophobicContact CG1-CB 4.34Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.39Å; V44-I142 HydrophobicContact CG1-CD1 3.95Å; V44-I142 HydrophobicContact CG2-CG2 3.74Å; V44-V153 HydrophobicContact CG2-CG1 3.87Å; V44-F154 PolarHBondContact N-O 2.61Å; V44-F155 HydrophobicContact CB-CD1 3.5Å; V44-F155 VanDerWaalsContact CB-CD1 3.5Å; V44-F155 HydrophobicContact CB-CE1 3.76Å; V44-F155 HydrophobicContact CB-CG 4.41Å; V44-F155 HydrophobicContact CG1-CD1 3.71Å; V44-F155 HydrophobicContact CG1-CE1 3.76Å; V44-F155 HydrophobicContact CG2-CD1 4.3Å; V44-F155 HydrophobicContact CG2-CE1 4.15Å; V44-F155 WeakPolarHBondContact O-CA 3.44Å; V44-V156 PolarHBondContact O-N 3.16Å
45	M	98.6	Very high	91.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.3	177.7	-54.8	-55.9	-63	0	0	110.5	I43 K53 V56 S57 V128 F129 D130 N133 V156	I43-M45 HydrophobicContact CG2-SD 4.24Å; M45-K53 HydrophobicContact CB-CB 4.4Å; M45-K53 HydrophobicContact CB-CD 4.13Å; M45-K53 HydrophobicContact CB-CG 4.48Å; M45-K53 HydrophobicContact CE-CB 4.32Å; M45-V56 HydrophobicContact CE-CB 3.99Å; M45-V56 HydrophobicContact CE-CG1 3.83Å; M45-S57 VanDerWaalsContact CG-OG 3.26Å; M45-S57 WeakPolarHBondContact CG-OG 3.36Å; M45-V128 HydrophobicContact CG-CG1 4.11Å; M45-V128 HydrophobicContact SD-CG1 4.09Å; M45-F129 PolarHBondContact N-O 3.01Å; M45-F129 VanDerWaalsContact N-O 3.07Å; M45-D130 HydrophobicContact CG-CB 4.35Å; M45-N133 WeakPolarHBondContact O-CB 3.33Å; M45-N133 PolarHBondContact O-ND2 3.44Å; M45-V156 CarbonylContact C-O 3.53Å; M45-V156 WeakPolarHBondContact CA-O 3.29Å; M45-V156 HydrophobicContact CE-CB 3.98Å; M45-V156 HydrophobicContact CE-CG1 3.75Å; M45-V156 HydrophobicContact SD-CB 3.84Å; M45-V156 HydrophobicContact SD-CG1 4.24Å; M45-V156 HydrophobicContact SD-CG2 4.48Å
46	I	98.6	Very high	91.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.8	175.2	-57	163.7	0	0	0	109.7	T132 N133 R139 F155 V156 E157 S158 Y203 L206	I46-T132 CarbonylContact C-O 3.56Å; I46-T132 WeakPolarHBondContact CA-O 3.35Å; I46-N133 HydrophobicContact CG1-CB 4.13Å; I46-R139 VanDerWaalsContact CD1-CD 3.45Å; I46-F155 HydrophobicContact CD1-CB 3.86Å; I46-F155 HydrophobicContact CD1-CD1 3.54Å; I46-F155 HydrophobicContact CD1-CE1 4.39Å; I46-F155 HydrophobicContact CD1-CG 3.99Å; I46-F155 HydrophobicContact CG1-CD1 4.18Å; I46-V156 PolarHBondContact N-O 3.31Å; I46-E157 HydrophobicContact CB-CB 3.91Å; I46-E157 HydrophobicContact CB-CG 3.88Å; I46-E157 HydrophobicContact CG2-CB 4.36Å; I46-E157 HydrophobicContact CG2-CG 3.81Å; I46-E157 WeakPolarHBondContact O-CA 3.49Å; I46-S158 PolarHBondContact O-N 3.07Å; I46-Y203 HydrophobicContact CG2-CE2 4.33Å; I46-L206 HydrophobicContact CD1-CD1 3.7Å; I46-L206 HydrophobicContact CD1-CD2 3.82Å; I46-L206 HydrophobicContact CD1-CG 3.74Å
47	G	97.1	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	141.3	168.2	166.2	0	0	0	0	0	113	K53 T132	G47-K53 WeakPolarHBondContact O-CE 3.41Å; G47-K53 PolarHBondContact O-NZ 3.31Å; G47-T132 PolarHBondContact N-O 3.3Å; G47-T132 WeakPolarHBondContact O-CA 2.98Å
48	L	96.2	Very high	93.3	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.052	13%	0.127	C	C	.	.			trans	-63.1	159	179.6	-63.9	176.6	0	0	0	112.4	R51 K53 T134 K200 Y203	L48-R51 HydrophobicContact CB-CG 4.4Å; L48-R51 WeakPolarHBondContact O-CB 3.29Å; L48-R51 WeakPolarHBondContact O-CD 3.36Å; L48-K53 PolarHBondContact O-NZ 2.83Å; L48-T134 HydrophobicContact CD2-CG2 4.28Å; L48-K200 HydrophobicContact CD1-CG 3.8Å; L48-K200 HydrophobicContact CD2-CG 4.27Å; L48-Y203 HydrophobicContact CD1-CD1 4.08Å; L48-Y203 HydrophobicContact CD1-CE1 4.28Å; L48-Y203 HydrophobicContact CD2-CD1 3.87Å; L48-Y203 HydrophobicContact CD2-CE1 4.46Å; L48-Y203 HydrophobicContact CD2-CG 4.03Å; L48-Y203 HydrophobicContact CG-CD1 3.84Å; L48-Y203 HydrophobicContact CG-CE1 3.98Å; L48-Y203 HydrophobicContact CG-CG 4.43Å
49	P	93.1	Very high	94.1	Very high	8 Å²	8	16.6 Å²	16.6	5%	0.052	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	150.8	173.2	-23.5	33.6	0	0	0	112.7	R51 T132 F192 I196 Y199	P49-R51 VanDerWaalsContact C-N 3.29Å; P49-R51 WeakPolarHBondContact O-CD 3.2Å; P49-R51 PolarHBondContact O-N 2.64Å; P49-R51 PolarHBondContact O-NH1 3.34Å; P49-T132 HydrophobicContact CG-CG2 4.31Å; P49-F192 HydrophobicContact CB-CE1 3.73Å; P49-F192 HydrophobicContact CB-CZ 3.62Å; P49-I196 HydrophobicContact CB-CG1 3.95Å; P49-I196 HydrophobicContact CG-CG1 4.26Å; P49-Y199 HydrophobicContact CG-CD2 3.62Å; P49-Y199 HydrophobicContact CG-CE2 3.97Å; P49-Y199 HydrophobicContact CG-CG 4.29Å
50	A	89.1	Confident	94.5	Very high	10 Å²	10	14.5 Å²	14.5	8%	0.083	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	23.8	-177.4	0	0	0	0	0	116.7	N169 I170 F192	A50-N169 HydrophobicContact CB-CB 4.23Å; A50-N169 WeakPolarHBondContact O-CB 3.33Å; A50-N169 PolarHBondContact O-ND2 3.44Å; A50-I170 HydrophobicContact CB-CD1 4.49Å; A50-I170 HydrophobicContact CB-CG1 3.7Å; A50-F192 HydrophobicContact CB-CD1 4.46Å; A50-F192 HydrophobicContact CB-CE1 3.58Å; A50-F192 HydrophobicContact CB-CZ 4.25Å
51	R	90.8	Very high	94.6	Very high	12 Å²	12	13.3 Å²	13.3	5%	0.045	7%	0.071	C	C	.	.	S	Bend	trans	-97.6	25.3	172.7	-79.7	53.4	-179	-173.3	2	113	L48 P49 K53 S158 C160 I166	L48-R51 HydrophobicContact CB-CG 4.4Å; L48-R51 WeakPolarHBondContact O-CB 3.29Å; L48-R51 WeakPolarHBondContact O-CD 3.36Å; P49-R51 VanDerWaalsContact C-N 3.29Å; P49-R51 WeakPolarHBondContact O-CD 3.2Å; P49-R51 PolarHBondContact O-N 2.64Å; P49-R51 PolarHBondContact O-NH1 3.34Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.04Å; R51-K53 VanDerWaalsContact O-N 3.16Å; R51-S158 VanDerWaalsContact O-CB 3.24Å; R51-S158 WeakPolarHBondContact O-CB 3.47Å; R51-S158 PolarHBondContact O-OG 3.4Å; R51-C160 HydrophobicContact CG-CB 4.15Å; R51-C160 PolarHBondContact NE-O 3.04Å; R51-I166 VanDerWaalsContact NH2-CD1 3.28Å
52	G	88.5	Confident	94.5	Very high	25 Å²	25	14.5 Å²	14.5	26%	0.258	8%	0.076	S	C	.	.	S	Bend	trans	69.5	10.8	177.5	0	0	0	0	0	116.9	T54 Y55 V56	G52-T54 PolarHBondContact O-N 3.14Å; G52-Y55 VanDerWaalsContact O-CB 3.31Å; G52-Y55 WeakPolarHBondContact O-CB 3.45Å; G52-Y55 PolarHBondContact O-N 3.46Å; G52-Y55 VanDerWaalsContact O-N 3.13Å; G52-V56 WeakPolarHBondContact O-CG2 3.19Å; G52-V56 PolarHBondContact O-N 3.5Å
53	K	92.7	Very high	94.5	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.065	8%	0.076	C	C	.	.	H	α-helix	trans	-52.3	-55	179.8	-64.7	-172.1	-59.9	-74.4	0	113.1	M45 G47 L48 R51 Y55 V56 S57 A131	M45-K53 HydrophobicContact CB-CB 4.4Å; M45-K53 HydrophobicContact CB-CD 4.13Å; M45-K53 HydrophobicContact CB-CG 4.48Å; M45-K53 HydrophobicContact CE-CB 4.32Å; G47-K53 WeakPolarHBondContact O-CE 3.41Å; G47-K53 PolarHBondContact O-NZ 3.31Å; L48-K53 PolarHBondContact O-NZ 2.83Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.04Å; R51-K53 VanDerWaalsContact O-N 3.16Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 3.29Å; K53-V56 PolarHBondContact O-N 2.96Å; K53-V56 VanDerWaalsContact O-N 3.14Å; K53-S57 PolarHBondContact O-N 3.31Å; K53-S57 PolarHBondContact O-OG 2.96Å; K53-A131 WeakPolarHBondContact CD-O 3.42Å; K53-A131 WeakPolarHBondContact CE-O 3.12Å
54	T	90.9	Very high	94.4	Very high	24 Å²	24	14.5 Å²	14.5	15%	0.147	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-32.9	179.9	-52.1	0	0	0	0	112.8	G52 K58 D130 Y430	G52-T54 PolarHBondContact O-N 3.14Å; T54-K58 WeakPolarHBondContact O-CG 3.46Å; T54-K58 PolarHBondContact O-N 2.97Å; T54-K58 VanDerWaalsContact O-N 3.11Å; T54-D130 VanDerWaalsContact CA-OD2 3.27Å; T54-D130 WeakPolarHBondContact CA-OD2 3.31Å; T54-D130 VanDerWaalsContact CB-OD2 3.26Å; T54-D130 WeakPolarHBondContact CB-OD2 3.38Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.36Å; T54-D130 PolarHBondContact OG1-OD2 3.15Å; T54-Y430 HydrophobicContact CG2-CD1 4.19Å; T54-Y430 HydrophobicContact CG2-CE1 3.53Å
55	Y	89.6	Confident	94.3	Very high	42 Å²	42	17.5 Å²	17.5	17%	0.165	9%	0.092	C	C	.	.	H	α-helix	trans	-60.7	-54.4	172.4	172.3	-88	0	0	0	110	G52 K53 S57 K58 K59 H248 V249 A429	G52-Y55 VanDerWaalsContact O-CB 3.31Å; G52-Y55 WeakPolarHBondContact O-CB 3.45Å; G52-Y55 PolarHBondContact O-N 3.46Å; G52-Y55 VanDerWaalsContact O-N 3.13Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 3.29Å; Y55-S57 PolarHBondContact O-N 3.35Å; Y55-K58 PolarHBondContact O-N 2.84Å; Y55-K59 HydrophobicContact CE1-CD 3.78Å; Y55-K59 WeakPolarHBondContact O-CB 3.45Å; Y55-K59 PolarHBondContact O-N 2.86Å; Y55-K59 PolarHBondContact OH-NZ 3.32Å; Y55-H248 PolarHBondContact OH-O 3.49Å; Y55-V249 HydrophobicContact CD1-CG1 4.41Å; Y55-V249 HydrophobicContact CE1-CG1 3.98Å; Y55-A429 VanDerWaalsContact CD2-O 3.22Å; Y55-A429 WeakPolarHBondContact CD2-O 3.48Å
56	V	92.8	Very high	94.3	Very high	16 Å²	16	18.2 Å²	18.2	10%	0.097	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-46.7	178.8	174.1	0	0	0	0	111	M45 G52 K53 K58 K59 L60 V156 L244	M45-V56 HydrophobicContact CE-CB 3.99Å; M45-V56 HydrophobicContact CE-CG1 3.83Å; G52-V56 WeakPolarHBondContact O-CG2 3.19Å; G52-V56 PolarHBondContact O-N 3.5Å; K53-V56 PolarHBondContact O-N 2.96Å; K53-V56 VanDerWaalsContact O-N 3.14Å; V56-K58 PolarHBondContact O-N 2.92Å; V56-K59 PolarHBondContact O-N 3.29Å; V56-L60 WeakPolarHBondContact O-CB 3.47Å; V56-L60 PolarHBondContact O-N 3.18Å; V56-V156 HydrophobicContact CG1-CG1 4.36Å; V56-L244 HydrophobicContact CG1-CD2 3.44Å; V56-L244 VanDerWaalsContact CG1-CD2 3.44Å
57	S	94.9	Very high	94.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.3	-48.3	180	-59.5	0	0	0	0	112.7	M45 K53 Y55 T61	M45-S57 VanDerWaalsContact CG-OG 3.26Å; M45-S57 WeakPolarHBondContact CG-OG 3.36Å; K53-S57 PolarHBondContact O-N 3.31Å; K53-S57 PolarHBondContact O-OG 2.96Å; Y55-S57 PolarHBondContact O-N 3.35Å; S57-T61 VanDerWaalsContact O-CB 3.25Å; S57-T61 WeakPolarHBondContact O-CB 3.47Å; S57-T61 PolarHBondContact O-N 3.42Å; S57-T61 PolarHBondContact O-OG1 3.5Å
58	K	93.2	Very high	94	Very high	93 Å²	93	19.7 Å²	19.7	40%	0.404	11%	0.108	S	C	.	.	H	α-helix	trans	-68.8	-45.1	180	-73.1	-167.1	-178.9	-175.6	0	111.7	T54 Y55 V56 T61 R62 Y430	T54-K58 WeakPolarHBondContact O-CG 3.46Å; T54-K58 PolarHBondContact O-N 2.97Å; T54-K58 VanDerWaalsContact O-N 3.11Å; Y55-K58 PolarHBondContact O-N 2.84Å; V56-K58 PolarHBondContact O-N 2.92Å; K58-T61 PolarHBondContact O-N 3.23Å; K58-R62 WeakPolarHBondContact O-CB 3.26Å; K58-R62 PolarHBondContact O-N 3.33Å; K58-Y430 HydrophobicContact CD-CD1 3.86Å; K58-Y430 HydrophobicContact CD-CG 4.39Å
59	K	93.8	Very high	94	Very high	12 Å²	12	19.2 Å²	19.2	5%	0.052	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-43.7	-178	-145.2	-172.9	179.7	179	0	111.8	Y55 V56 R62 Y63 Y243 I247 E383	Y55-K59 HydrophobicContact CE1-CD 3.78Å; Y55-K59 WeakPolarHBondContact O-CB 3.45Å; Y55-K59 PolarHBondContact O-N 2.86Å; Y55-K59 PolarHBondContact OH-NZ 3.32Å; V56-K59 PolarHBondContact O-N 3.29Å; K59-R62 WeakPolarHBondContact O-CB 3.33Å; K59-R62 PolarHBondContact O-N 3.31Å; K59-Y63 PolarHBondContact O-N 2.86Å; K59-Y243 WeakPolarHBondContact CG-OH 3.29Å; K59-Y243 PolarHBondContact O-OH 2.99Å; K59-I247 HydrophobicContact CD-CG2 4.29Å; K59-E383 WeakPolarHBondContact CE-OE1 3.5Å; K59-E383 WeakPolarHBondContact CE-OE2 3.17Å; K59-E383 IonicContact NZ-OE1 3.1Å; K59-E383 IonicContact NZ-OE2 3.39Å; K59-E383 PolarHBondContact NZ-OE2 3.03Å
60	L	95.9	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-44.1	175	-178.6	62.8	0	0	0	111.3	I43 V56 R62 Y63 L64 I240 Y243	I43-L60 HydrophobicContact CD1-CD2 3.78Å; V56-L60 WeakPolarHBondContact O-CB 3.47Å; V56-L60 PolarHBondContact O-N 3.18Å; L60-R62 PolarHBondContact O-N 2.9Å; L60-Y63 HydrophobicContact CD1-CD1 4.34Å; L60-Y63 PolarHBondContact O-N 3.35Å; L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 3.82Å; L60-L64 HydrophobicContact CG-CG 4.4Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 3.48Å; L60-I240 HydrophobicContact CD1-CB 4.43Å; L60-I240 HydrophobicContact CD1-CG1 4.17Å; L60-I240 HydrophobicContact CD1-CG2 4.06Å; L60-I240 HydrophobicContact CD2-CG2 3.88Å; L60-Y243 HydrophobicContact CB-CE1 4.45Å; L60-Y243 HydrophobicContact CD1-CD1 3.65Å; L60-Y243 HydrophobicContact CD1-CE1 4.25Å; L60-Y243 HydrophobicContact CD1-CG 4.41Å
61	T	97.3	Very high	94.6	Very high	13 Å²	13	20.9 Å²	20.9	8%	0.08	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-44.5	176.2	-64.3	0	0	0	0	111.9	S57 K58 Y63 L64 N65 T71 V73 V128	S57-T61 VanDerWaalsContact O-CB 3.25Å; S57-T61 WeakPolarHBondContact O-CB 3.47Å; S57-T61 PolarHBondContact O-N 3.42Å; S57-T61 PolarHBondContact O-OG1 3.5Å; K58-T61 PolarHBondContact O-N 3.23Å; T61-Y63 PolarHBondContact O-N 3.23Å; T61-L64 PolarHBondContact O-N 3.37Å; T61-N65 WeakPolarHBondContact CG2-ND2 3.36Å; T61-N65 WeakPolarHBondContact O-CB 3.34Å; T61-N65 PolarHBondContact O-N 3.08Å; T61-N65 PolarHBondContact O-ND2 3.04Å; T61-T71 HydrophobicContact CG2-CG2 3.83Å; T61-T71 WeakPolarHBondContact CG2-O 3.44Å; T61-V73 HydrophobicContact CG2-CG2 4.05Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.32Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.31Å
62	R	96.3	Very high	94.9	Very high	24 Å²	24	24.1 Å²	24.1	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-46.8	175.7	-176.5	176.4	75.8	162.7	-0	111.7	K58 K59 L60 W66 E383 Y403 F404 D406	K58-R62 WeakPolarHBondContact O-CB 3.26Å; K58-R62 PolarHBondContact O-N 3.33Å; K59-R62 WeakPolarHBondContact O-CB 3.33Å; K59-R62 PolarHBondContact O-N 3.31Å; L60-R62 PolarHBondContact O-N 2.9Å; R62-W66 VanDerWaalsContact O-CB 3.24Å; R62-W66 WeakPolarHBondContact O-CB 3.46Å; R62-W66 PolarHBondContact O-N 3.07Å; R62-E383 IonicContact NH2-OE1 3.67Å; R62-Y403 WeakPolarHBondContact CD-O 3.17Å; R62-Y403 VanDerWaalsContact CG-O 3.31Å; R62-Y403 WeakPolarHBondContact CG-O 3.42Å; R62-Y403 PolarHBondContact NE-O 2.89Å; R62-F404 PolarHBondContact NH1-O 2.98Å; R62-D406 HydrophobicContact CG-CB 4.04Å
63	Y	97.2	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-49.6	175.3	165.4	-111.6	0	0	0	112.4	K59 L60 T61 N65 W66 I67 Y243 E376 M380 Y403	K59-Y63 PolarHBondContact O-N 2.86Å; L60-Y63 HydrophobicContact CD1-CD1 4.34Å; L60-Y63 PolarHBondContact O-N 3.35Å; T61-Y63 PolarHBondContact O-N 3.23Å; Y63-N65 PolarHBondContact O-N 3.27Å; Y63-W66 PolarHBondContact O-N 2.8Å; Y63-I67 HydrophobicContact CD2-CG2 4.06Å; Y63-I67 HydrophobicContact CE1-CD1 4.09Å; Y63-I67 HydrophobicContact CE2-CD1 4.44Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 PolarHBondContact O-N 2.9Å; Y63-Y243 HydrophobicContact CD1-CD1 4.08Å; Y63-Y243 AromaticContact CD1-CD2 3.62Å; Y63-Y243 HydrophobicContact CD1-CD2 3.62Å; Y63-Y243 HydrophobicContact CD1-CE1 4.49Å; Y63-Y243 HydrophobicContact CD1-CE2 4.07Å; Y63-Y243 AromaticContact CD1-CG 3.61Å; Y63-Y243 HydrophobicContact CD1-CG 3.61Å; Y63-Y243 AromaticContact CD2-CD2 3.82Å; Y63-Y243 HydrophobicContact CD2-CD2 3.82Å; Y63-Y243 AromaticContact CD2-CE2 3.85Å; Y63-Y243 HydrophobicContact CD2-CE2 3.85Å; Y63-Y243 AromaticContact CE1-CD2 3.93Å; Y63-Y243 HydrophobicContact CE1-CD2 3.93Å; Y63-Y243 AromaticContact CE1-CG 3.9Å; Y63-Y243 HydrophobicContact CE1-CG 3.9Å; Y63-Y243 HydrophobicContact CE2-CD2 4.13Å; Y63-Y243 HydrophobicContact CG-CD1 4.45Å; Y63-Y243 AromaticContact CG-CD2 3.55Å; Y63-Y243 HydrophobicContact CG-CD2 3.55Å; Y63-Y243 HydrophobicContact CG-CE1 4.47Å; Y63-Y243 AromaticContact CG-CE2 3.57Å; Y63-Y243 HydrophobicContact CG-CE2 3.57Å; Y63-Y243 AromaticContact CG-CG 4Å; Y63-Y243 HydrophobicContact CG-CG 4Å; Y63-E376 HydrophobicContact CE2-CG 4.19Å; Y63-E376 PolarHBondContact OH-OE1 3.31Å; Y63-M380 HydrophobicContact CD2-CE 3.78Å; Y63-M380 HydrophobicContact CE2-CE 3.46Å; Y63-M380 VanDerWaalsContact CE2-CE 3.46Å; Y63-M380 HydrophobicContact CE2-SD 4.3Å; Y63-Y403 HydrophobicContact CD2-CE2 4.35Å
64	L	97.4	Very high	95.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-44.5	-178.6	-70.3	167.6	0	0	0	111.8	I43 L60 T61 W66 I67 G68 V69 T71 I126 I236 I240	I43-L64 HydrophobicContact CD1-CD1 4.32Å; L60-L64 HydrophobicContact CD1-CD1 4.09Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 3.82Å; L60-L64 HydrophobicContact CG-CG 4.4Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 3.48Å; T61-L64 PolarHBondContact O-N 3.37Å; L64-W66 VanDerWaalsContact C-N 3.35Å; L64-W66 PolarHBondContact O-N 2.82Å; L64-I67 HydrophobicContact CD2-CD1 4.29Å; L64-I67 WeakPolarHBondContact O-CG1 3.4Å; L64-I67 PolarHBondContact O-N 3.49Å; L64-G68 PolarHBondContact O-N 2.97Å; L64-V69 CarbonylContact C-O 3.55Å; L64-V69 VanDerWaalsContact C-O 3.32Å; L64-V69 HydrophobicContact CB-CB 4.41Å; L64-V69 WeakPolarHBondContact O-CA 3.36Å; L64-V69 WeakPolarHBondContact O-CB 3.48Å; L64-V69 PolarHBondContact O-N 2.86Å; L64-T71 HydrophobicContact CB-CG2 4.35Å; L64-T71 WeakPolarHBondContact CB-OG1 3.49Å; L64-T71 HydrophobicContact CD1-CG2 3.9Å; L64-I126 HydrophobicContact CD1-CD1 3.76Å; L64-I126 HydrophobicContact CD1-CG2 4.25Å; L64-I126 HydrophobicContact CD2-CD1 3.99Å; L64-I126 HydrophobicContact CG-CD1 4.4Å; L64-I236 HydrophobicContact CD2-CD1 3.71Å; L64-I236 HydrophobicContact CD2-CG1 4.44Å; L64-I240 HydrophobicContact CD2-CG1 4.27Å
65	N	97	Very high	95.9	Very high	63 Å²	63	24.9 Å²	24.9	34%	0.337	13%	0.129	S	C	.	.	H	α-helix	trans	-63.2	-40.8	174.3	-78.5	-44.8	0	0	0	111.9	T61 Y63 I67 G68 V69 T71	T61-N65 WeakPolarHBondContact CG2-ND2 3.36Å; T61-N65 WeakPolarHBondContact O-CB 3.34Å; T61-N65 PolarHBondContact O-N 3.08Å; T61-N65 PolarHBondContact O-ND2 3.04Å; Y63-N65 PolarHBondContact O-N 3.27Å; N65-I67 PolarHBondContact O-N 2.65Å; N65-G68 VanDerWaalsContact O-CA 3.31Å; N65-G68 WeakPolarHBondContact O-CA 3.2Å; N65-G68 PolarHBondContact O-N 3.2Å; N65-V69 PolarHBondContact N-O 3.27Å; N65-V69 PolarHBondContact OD1-O 2.84Å; N65-T71 PolarHBondContact ND2-O 3.21Å; N65-T71 PolarHBondContact OD1-N 3.12Å; N65-T71 PolarHBondContact OD1-O 3.05Å
66	W	97.5	Very high	96.2	Very high	15 Å²	15	23.8 Å²	23.8	6%	0.057	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-41	179.4	-176.1	83.3	0	0	0	112.2	R62 Y63 L64 G68 V372 L375 E376 I379 C399 Y403	R62-W66 VanDerWaalsContact O-CB 3.24Å; R62-W66 WeakPolarHBondContact O-CB 3.46Å; R62-W66 PolarHBondContact O-N 3.07Å; Y63-W66 PolarHBondContact O-N 2.8Å; L64-W66 VanDerWaalsContact C-N 3.35Å; L64-W66 PolarHBondContact O-N 2.82Å; W66-G68 PolarHBondContact O-N 2.89Å; W66-V372 HydrophobicContact CD2-CG1 4.03Å; W66-V372 HydrophobicContact CE3-CG1 3.96Å; W66-V372 HydrophobicContact CH2-CB 4.45Å; W66-V372 HydrophobicContact CH2-CG1 4Å; W66-V372 VanDerWaalsContact CH2-O 3.23Å; W66-V372 WeakPolarHBondContact CH2-O 3.4Å; W66-V372 HydrophobicContact CZ2-CB 4.33Å; W66-V372 HydrophobicContact CZ2-CG1 4.08Å; W66-V372 HydrophobicContact CZ2-CG2 4.12Å; W66-V372 HydrophobicContact CZ3-CG1 3.93Å; W66-V372 WeakPolarHBondContact O-CG1 3.49Å; W66-L375 HydrophobicContact CH2-CB 3.93Å; W66-L375 HydrophobicContact CZ2-CB 4.36Å; W66-E376 HydrophobicContact CZ3-CB 4.38Å; W66-I379 HydrophobicContact CE3-CG1 4.42Å; W66-I379 HydrophobicContact CH2-CD1 4.45Å; W66-I379 HydrophobicContact CH2-CG1 3.52Å; W66-I379 HydrophobicContact CZ2-CD1 4.42Å; W66-I379 HydrophobicContact CZ2-CG1 3.95Å; W66-I379 HydrophobicContact CZ3-CB 4.47Å; W66-I379 HydrophobicContact CZ3-CG1 3.79Å; W66-C399 HydrophobicContact CZ2-CB 4.34Å; W66-C399 PolarHBondContact NE1-O 3.31Å; W66-Y403 HydrophobicContact CB-CD2 4.01Å; W66-Y403 VanDerWaalsContact CD1-CA 3.5Å; W66-Y403 HydrophobicContact CD2-CD2 4.01Å; W66-Y403 HydrophobicContact CD2-CG 4.47Å; W66-Y403 HydrophobicContact CE3-CD2 4.32Å; W66-Y403 AromaticContact CG-CD2 3.87Å; W66-Y403 HydrophobicContact CG-CD2 3.87Å; W66-Y403 HydrophobicContact CG-CG 4.41Å
67	I	95.4	Very high	96.1	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.041	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	2.4	171.8	68	172.7	0	0	0	113.3	S31 A33 Y63 L64 N65 V69 E376	S31-I67 VanDerWaalsContact CB-O 3.23Å; S31-I67 WeakPolarHBondContact CB-O 3.46Å; S31-I67 PolarHBondContact OG-O 3.17Å; A33-I67 HydrophobicContact CB-CB 4.47Å; A33-I67 HydrophobicContact CB-CD1 3.77Å; A33-I67 HydrophobicContact CB-CG1 4.1Å; Y63-I67 HydrophobicContact CD2-CG2 4.06Å; Y63-I67 HydrophobicContact CE1-CD1 4.09Å; Y63-I67 HydrophobicContact CE2-CD1 4.44Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 PolarHBondContact O-N 2.9Å; L64-I67 HydrophobicContact CD2-CD1 4.29Å; L64-I67 WeakPolarHBondContact O-CG1 3.4Å; L64-I67 PolarHBondContact O-N 3.49Å; N65-I67 PolarHBondContact O-N 2.65Å; I67-V69 HydrophobicContact CD1-CG2 4.29Å; I67-V69 HydrophobicContact CG1-CG2 4.18Å; I67-E376 HydrophobicContact CG2-CG 4.24Å
68	G	93.9	Very high	96	Very high	24 Å²	24	26.5 Å²	26.5	25%	0.247	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	16.7	172.6	0	0	0	0	0	115.8	S31 S34 L64 N65 W66 P70	S31-G68 WeakPolarHBondContact OG-CA 3.45Å; S31-G68 PolarHBondContact OG-O 2.87Å; S34-G68 WeakPolarHBondContact CB-O 3.34Å; L64-G68 PolarHBondContact O-N 2.97Å; N65-G68 VanDerWaalsContact O-CA 3.31Å; N65-G68 WeakPolarHBondContact O-CA 3.2Å; N65-G68 PolarHBondContact O-N 3.2Å; W66-G68 PolarHBondContact O-N 2.89Å; G68-P70 WeakPolarHBondContact O-CD 3.42Å
69	V	95.8	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.			trans	-95.7	108.8	174.7	-178.1	0	0	0	0	109.6	A33 L64 N65 I67 T71 Q125 I126 I236	A33-V69 HydrophobicContact CB-CG2 3.57Å; L64-V69 CarbonylContact C-O 3.55Å; L64-V69 VanDerWaalsContact C-O 3.32Å; L64-V69 HydrophobicContact CB-CB 4.41Å; L64-V69 WeakPolarHBondContact O-CA 3.36Å; L64-V69 WeakPolarHBondContact O-CB 3.48Å; L64-V69 PolarHBondContact O-N 2.86Å; N65-V69 PolarHBondContact N-O 3.27Å; N65-V69 PolarHBondContact OD1-O 2.84Å; I67-V69 HydrophobicContact CD1-CG2 4.29Å; I67-V69 HydrophobicContact CG1-CG2 4.18Å; V69-T71 PolarHBondContact O-N 2.65Å; V69-T71 PolarHBondContact O-OG1 3.47Å; V69-Q125 HydrophobicContact CG1-CB 4.11Å; V69-I126 HydrophobicContact CG1-CD1 3.55Å; V69-I126 HydrophobicContact CG1-CG1 3.93Å; V69-I236 HydrophobicContact CG2-CD1 4.17Å
70	P	96.8	Very high	96.1	Very high	46 Å²	46	24.3 Å²	24.3	30%	0.299	14%	0.135	S	C	.	.			trans	-58.6	113	-177.2	-24.2	34.6	0	0	0	111.8	G68 Y118 Q125 I126	G68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-Y118 PolarHBondContact O-OH 3.1Å; P70-Q125 PolarHBondContact O-N 3.24Å; P70-I126 PolarHBondContact O-N 3.25Å
71	T	98.2	Very high	95.9	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	-173.3	-53.3	0	0	0	0	111.8	T61 L64 N65 V69 Y118 I126 V128	T61-T71 HydrophobicContact CG2-CG2 3.83Å; T61-T71 WeakPolarHBondContact CG2-O 3.44Å; L64-T71 HydrophobicContact CB-CG2 4.35Å; L64-T71 WeakPolarHBondContact CB-OG1 3.49Å; L64-T71 HydrophobicContact CD1-CG2 3.9Å; N65-T71 PolarHBondContact ND2-O 3.21Å; N65-T71 PolarHBondContact OD1-N 3.12Å; N65-T71 PolarHBondContact OD1-O 3.05Å; V69-T71 PolarHBondContact O-N 2.65Å; V69-T71 PolarHBondContact O-OG1 3.47Å; T71-Y118 PolarHBondContact N-OH 2.97Å; T71-I126 VanDerWaalsContact CA-O 3.24Å; T71-I126 WeakPolarHBondContact CA-O 3.33Å; T71-I126 HydrophobicContact CG2-CB 3.87Å; T71-I126 HydrophobicContact CG2-CG2 3.79Å; T71-V128 HydrophobicContact CG2-CG2 3.91Å
72	K	98.3	Very high	95.6	Very high	79 Å²	79	33.8 Å²	33.8	34%	0.343	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.6	179.2	-170.1	174.5	-178.1	-178.7	0	111.2	F74 Y118 E122 I126 A127 V128	K72-F74 HydrophobicContact CB-CE2 3.96Å; K72-F74 HydrophobicContact CB-CZ 4.36Å; K72-F74 HydrophobicContact CD-CE1 4.47Å; K72-F74 HydrophobicContact CD-CE2 4.27Å; K72-F74 HydrophobicContact CD-CZ 3.85Å; K72-F74 HydrophobicContact CG-CE2 4.06Å; K72-F74 HydrophobicContact CG-CZ 4.12Å; K72-Y118 HydrophobicContact CB-CD1 4.21Å; K72-Y118 HydrophobicContact CB-CD2 4.27Å; K72-Y118 HydrophobicContact CB-CE1 3.75Å; K72-Y118 HydrophobicContact CB-CE2 3.83Å; K72-Y118 HydrophobicContact CB-CG 4.45Å; K72-Y118 HydrophobicContact CD-CD2 3.61Å; K72-Y118 HydrophobicContact CD-CE2 3.74Å; K72-Y118 HydrophobicContact CD-CG 4.12Å; K72-Y118 HydrophobicContact CG-CE2 4.46Å; K72-E122 IonicContact NZ-OE1 2.87Å; K72-E122 PolarHBondContact NZ-OE1 3.43Å; K72-E122 IonicContact NZ-OE2 3.86Å; K72-E122 PolarHBondContact NZ-OE2 3.05Å; K72-E122 VanDerWaalsContact NZ-OE2 3.1Å; K72-I126 PolarHBondContact N-O 3.01Å; K72-I126 VanDerWaalsContact N-O 3.11Å; K72-A127 WeakPolarHBondContact O-CA 3.44Å; K72-V128 PolarHBondContact O-N 3.32Å
73	V	98.1	Very high	95.2	Very high	41 Å²	41	35.7 Å²	35.7	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132	174.9	-177.3	0	0	0	0	110.1	T61 N75 V128 D130	T61-V73 HydrophobicContact CG2-CG2 4.05Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.32Å; V73-N75 HydrophobicContact CG1-CB 4.44Å; V73-V128 WeakPolarHBondContact CA-O 3.5Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; V73-D130 HydrophobicContact CG1-CB 4.03Å
74	F	98.2	Very high	94.7	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	93.4	172	-62.2	-96.3	0	0	0	108	K72 L76 D114 V115 Y118 A127 V128 F129 D130	K72-F74 HydrophobicContact CB-CE2 3.96Å; K72-F74 HydrophobicContact CB-CZ 4.36Å; K72-F74 HydrophobicContact CD-CE1 4.47Å; K72-F74 HydrophobicContact CD-CE2 4.27Å; K72-F74 HydrophobicContact CD-CZ 3.85Å; K72-F74 HydrophobicContact CG-CE2 4.06Å; K72-F74 HydrophobicContact CG-CZ 4.12Å; F74-L76 PolarHBondContact O-N 2.93Å; F74-D114 HydrophobicContact CD1-CB 4.08Å; F74-D114 HydrophobicContact CE1-CB 3.72Å; F74-V115 HydrophobicContact CB-CG2 4.27Å; F74-V115 HydrophobicContact CD1-CG2 3.87Å; F74-V115 HydrophobicContact CD2-CG2 3.55Å; F74-V115 HydrophobicContact CE1-CG2 4.06Å; F74-V115 HydrophobicContact CE2-CG2 3.76Å; F74-V115 HydrophobicContact CG-CG2 3.61Å; F74-V115 HydrophobicContact CZ-CG2 4Å; F74-Y118 HydrophobicContact CE2-CD1 4.19Å; F74-Y118 HydrophobicContact CE2-CG 4.43Å; F74-Y118 HydrophobicContact CZ-CD1 4.2Å; F74-Y118 AromaticContact CZ-CG 3.98Å; F74-Y118 HydrophobicContact CZ-CG 3.98Å; F74-A127 HydrophobicContact CD2-CB 3.94Å; F74-A127 HydrophobicContact CE2-CB 3.61Å; F74-V128 PolarHBondContact N-O 3.17Å; F74-F129 HydrophobicContact CB-CD2 4.34Å; F74-D130 PolarHBondContact O-N 3.49Å
75	N	96.3	Very high	93.6	Very high	33 Å²	33	47.2 Å²	47.2	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	108.8	-176.3	-177.2	-66.2	0	0	0	110.8	V73 G77 V78 Y79 D130	V73-N75 HydrophobicContact CG1-CB 4.44Å; N75-G77 PolarHBondContact O-N 3.48Å; N75-G77 VanDerWaalsContact O-N 3.1Å; N75-G77 VanDerWaalsContact OD1-CA 3.25Å; N75-G77 WeakPolarHBondContact OD1-CA 3.43Å; N75-G77 PolarHBondContact OD1-N 3.41Å; N75-V78 HydrophobicContact CB-CG2 4.04Å; N75-V78 WeakPolarHBondContact O-CB 3.26Å; N75-V78 PolarHBondContact O-N 3.41Å; N75-V78 PolarHBondContact OD1-N 3.3Å; N75-Y79 WeakPolarHBondContact O-CD2 3.4Å; N75-D130 PolarHBondContact ND2-OD2 3.08Å
76	L	95.3	Very high	92.5	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-19.9	-174.4	-156.8	68.6	0	0	0	113.6	F74 V78 R80 C107 A108 A111 F129 D130 A131	F74-L76 PolarHBondContact O-N 2.93Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.28Å; L76-R80 WeakPolarHBondContact O-CB 3.19Å; L76-R80 PolarHBondContact O-N 3.42Å; L76-C107 HydrophobicContact CD1-CB 4.22Å; L76-C107 WeakPolarHBondContact CD1-O 3.37Å; L76-A108 HydrophobicContact CD1-CB 4.23Å; L76-A108 HydrophobicContact CD2-CB 4.05Å; L76-A111 HydrophobicContact CD1-CB 3.79Å; L76-F129 HydrophobicContact CD1-CZ 4.22Å; L76-D130 PolarHBondContact N-O 3.47Å; L76-A131 HydrophobicContact CB-CB 3.75Å; L76-A131 HydrophobicContact CD2-CB 3.66Å; L76-A131 HydrophobicContact CG-CB 4.34Å
77	G	91.7	Very high	91.4	Very high	18 Å²	18	48.8 Å²	48.8	19%	0.186	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-31.1	171.7	0	0	0	0	0	113.3	N75 R80 R81	N75-G77 PolarHBondContact O-N 3.48Å; N75-G77 VanDerWaalsContact O-N 3.1Å; N75-G77 VanDerWaalsContact OD1-CA 3.25Å; N75-G77 WeakPolarHBondContact OD1-CA 3.43Å; N75-G77 PolarHBondContact OD1-N 3.41Å; G77-R80 PolarHBondContact O-NE 2.91Å; G77-R80 PolarHBondContact O-NH2 3.26Å; G77-R81 WeakPolarHBondContact O-CG 3.3Å; G77-R81 VanDerWaalsContact O-CZ 3.26Å; G77-R81 PolarHBondContact O-N 3.46Å; G77-R81 PolarHBondContact O-NH1 2.97Å
78	V	92.8	Very high	90.3	Very high	55 Å²	55	55.9 Å²	55.9	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-56.7	175.3	177.3	0	0	0	0	110	N75 L76 R80 R81 E82	N75-V78 HydrophobicContact CB-CG2 4.04Å; N75-V78 WeakPolarHBondContact O-CB 3.26Å; N75-V78 PolarHBondContact O-N 3.41Å; N75-V78 PolarHBondContact OD1-N 3.3Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.28Å; V78-R80 PolarHBondContact O-N 3.26Å; V78-R81 WeakPolarHBondContact O-CB 3.43Å; V78-R81 PolarHBondContact O-N 2.93Å; V78-E82 WeakPolarHBondContact CG1-OE1 3.45Å; V78-E82 PolarHBondContact O-N 2.67Å
79	Y	95.3	Very high	90	Very high	42 Å²	42	56 Å²	56	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-50	-45.3	175.8	-71.5	-91.9	0	0	0	112.6	N75 R81 E82 A83 V110 A111 D114	N75-Y79 WeakPolarHBondContact O-CD2 3.4Å; Y79-R81 PolarHBondContact O-N 3.35Å; Y79-E82 PolarHBondContact O-N 3.39Å; Y79-A83 WeakPolarHBondContact O-CB 3.34Å; Y79-A83 PolarHBondContact O-N 3.45Å; Y79-V110 HydrophobicContact CD1-CG1 4.09Å; Y79-V110 HydrophobicContact CE1-CG1 4.06Å; Y79-A111 HydrophobicContact CD1-CB 4.25Å; Y79-A111 HydrophobicContact CD2-CB 3.99Å; Y79-A111 HydrophobicContact CE1-CB 4.07Å; Y79-A111 HydrophobicContact CE2-CB 3.81Å; Y79-A111 HydrophobicContact CG-CB 4.21Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.46Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.25Å; Y79-D114 PolarHBondContact OH-OD2 2.94Å
80	R	93.9	Very high	89.8	Confident	17 Å²	17	59 Å²	59	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-34.7	178.2	171	-80.1	-33.3	-146.2	5.1	113.2	L76 G77 V78 V84 F92 D179	L76-R80 WeakPolarHBondContact O-CB 3.19Å; L76-R80 PolarHBondContact O-N 3.42Å; G77-R80 PolarHBondContact O-NE 2.91Å; G77-R80 PolarHBondContact O-NH2 3.26Å; V78-R80 PolarHBondContact O-N 3.26Å; R80-V84 VanDerWaalsContact O-CB 3.32Å; R80-V84 WeakPolarHBondContact O-CB 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.37Å; R80-V84 PolarHBondContact O-N 2.99Å; R80-F92 HydrophobicContact CG-CE1 3.94Å; R80-F92 HydrophobicContact CG-CZ 4.24Å; R80-D179 IonicContact CZ-OD1 3.78Å; R80-D179 IonicContact CZ-OD2 2.67Å; R80-D179 IonicContact NH1-OD1 3.3Å; R80-D179 PolarHBondContact NH1-OD1 3.12Å; R80-D179 IonicContact NH1-OD2 3.58Å; R80-D179 PolarHBondContact NH1-OD2 2.93Å; R80-D179 IonicContact NH2-OD1 3.21Å; R80-D179 PolarHBondContact NH2-OD1 2.7Å; R80-D179 IonicContact NH2-OD2 3.21Å; R80-D179 PolarHBondContact NH2-OD2 3.29Å
81	R	90.6	Very high	89.6	Confident	74 Å²	74	59.8 Å²	59.8	28%	0.279	31%	0.305	S	S	.	.	H	α-helix	trans	-71.7	-33.7	175.6	-82.3	-173.3	-65.7	-86.8	-3	112.3	G77 V78 Y79 V84 D179	G77-R81 WeakPolarHBondContact O-CG 3.3Å; G77-R81 VanDerWaalsContact O-CZ 3.26Å; G77-R81 PolarHBondContact O-N 3.46Å; G77-R81 PolarHBondContact O-NH1 2.97Å; V78-R81 WeakPolarHBondContact O-CB 3.43Å; V78-R81 PolarHBondContact O-N 2.93Å; Y79-R81 PolarHBondContact O-N 3.35Å; R81-V84 CarbonylContact O-C 3.53Å; R81-D179 WeakPolarHBondContact CD-OD1 3.47Å; R81-D179 WeakPolarHBondContact CG-OD1 3.25Å; R81-D179 IonicContact CZ-OD1 3.18Å; R81-D179 IonicContact NE-OD1 3.88Å; R81-D179 IonicContact NH1-OD1 3.77Å; R81-D179 PolarHBondContact NH1-OD1 2.97Å
82	E	90.8	Very high	89.3	Confident	138 Å²	138	61 Å²	61	65%	0.645	31%	0.31	S	S	*	.	H	α-helix	trans	-70.6	-39.3	175.6	-69.8	172.2	-177.1	0	0	111.2	V78 Y79	V78-E82 WeakPolarHBondContact CG1-OE1 3.45Å; V78-E82 PolarHBondContact O-N 2.67Å; Y79-E82 PolarHBondContact O-N 3.39Å
83	A	89.6	Confident	89	Confident	64 Å²	64	57.5 Å²	57.5	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-70.9	-39.2	175.3	0	0	0	0	0	112.9	Y79	Y79-A83 WeakPolarHBondContact O-CB 3.34Å; Y79-A83 PolarHBondContact O-N 3.45Å
84	V	85.8	Confident	88.8	Confident	36 Å²	36	60.3 Å²	60.3	22%	0.218	30%	0.301	C	S	.	.	S	Bend	trans	-113.4	94.2	-176.6	-169.2	0	0	0	0	108.7	R80 R81 S86 F92 I103	R80-V84 VanDerWaalsContact O-CB 3.32Å; R80-V84 WeakPolarHBondContact O-CB 3.26Å; R80-V84 WeakPolarHBondContact O-CG2 3.37Å; R80-V84 PolarHBondContact O-N 2.99Å; R81-V84 CarbonylContact O-C 3.53Å; V84-S86 PolarHBondContact O-N 3.36Å; V84-F92 HydrophobicContact CG1-CE2 4.35Å; V84-F92 HydrophobicContact CG2-CE2 4Å; V84-F92 HydrophobicContact CG2-CZ 3.89Å; V84-I103 HydrophobicContact CG2-CG2 3.64Å
85	K	73.8	Confident	88.5	Confident	206 Å²	206	64.3 Å²	64.3	90%	0.896	32%	0.319	S	S	*	.	S	Bend	trans	-61.3	-15.6	-171	-63.7	-174.9	-179.5	-179.9	0	115.2
86	S	73.6	Confident	88.4	Confident	70 Å²	70	66.8 Å²	66.8	49%	0.49	33%	0.332	S	S	.	.			trans	-141	129.2	172.7	57.1	0	0	0	0	111.7	V84 Q88	V84-S86 PolarHBondContact O-N 3.36Å; S86-Q88 PolarHBondContact OG-NE2 3.41Å
87	Y	74.8	Confident	88.3	Confident	42 Å²	42	68.3 Å²	68.3	17%	0.165	34%	0.341	C	S	.	.			trans	-83.8	129.8	166.4	179.3	-104.6	0	0	0	108.7	S89 Y90 F93 D179 Y180 D191	Y87-S89 VanDerWaalsContact CE2-O 3.23Å; Y87-S89 WeakPolarHBondContact CE2-O 3.42Å; Y87-S89 VanDerWaalsContact CZ-C 3.43Å; Y87-S89 PolarHBondContact OH-O 3.09Å; Y87-Y90 PolarHBondContact OH-N 3.43Å; Y87-F93 HydrophobicContact CD2-CE2 4.22Å; Y87-F93 HydrophobicContact CE2-CD2 4.11Å; Y87-F93 AromaticContact CE2-CE2 3.28Å; Y87-F93 HydrophobicContact CE2-CE2 3.28Å; Y87-F93 AromaticContact CE2-CZ 3.98Å; Y87-F93 HydrophobicContact CE2-CZ 3.98Å; Y87-F93 AromaticContact CZ-CE2 3.88Å; Y87-D179 WeakPolarHBondContact CD1-O 3.17Å; Y87-Y180 HydrophobicContact CD1-CE1 4.37Å; Y87-Y180 HydrophobicContact CE1-CD1 4.29Å; Y87-Y180 AromaticContact CE1-CE1 3.63Å; Y87-Y180 HydrophobicContact CE1-CE1 3.63Å; Y87-Y180 AromaticContact CE1-CZ 3.85Å; Y87-Y180 PolarHBondContact OH-OH 3.36Å; Y87-D191 WeakPolarHBondContact CE1-OD2 3.41Å; Y87-D191 PolarHBondContact OH-OD2 3.3Å
88	Q	73.4	Confident	88.4	Confident	157 Å²	157	75.4 Å²	75.4	73%	0.734	37%	0.369	S	S	*	.			trans	-103.3	-61.7	179.6	-63.3	-68.5	-23.1	0	0	110.5	S86	S86-Q88 PolarHBondContact OG-NE2 3.41Å
89	S	87.6	Confident	88.4	Confident	27 Å²	27	79.8 Å²	79.8	19%	0.189	39%	0.386	C	S	.	.			trans	-158.3	176.9	-175.9	72.2	0	0	0	0	112.1	Y87 D91 F92 D191	Y87-S89 VanDerWaalsContact CE2-O 3.23Å; Y87-S89 WeakPolarHBondContact CE2-O 3.42Å; Y87-S89 VanDerWaalsContact CZ-C 3.43Å; Y87-S89 PolarHBondContact OH-O 3.09Å; S89-D91 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact O-N 3.07Å; S89-D91 WeakPolarHBondContact OG-CB 3.35Å; S89-D91 PolarHBondContact OG-N 2.95Å; S89-D91 PolarHBondContact OG-OD2 3.45Å; S89-F92 PolarHBondContact O-N 3.22Å; S89-D191 WeakPolarHBondContact CA-OD1 3.26Å
90	Y	90.9	Very high	88.2	Confident	62 Å²	62	77.9 Å²	77.9	24%	0.243	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-55.4	-18.9	171.7	74.6	-84.3	0	0	0	114.2	Y87 F92 F93 D191 K194	Y87-Y90 PolarHBondContact OH-N 3.43Å; Y90-F92 PolarHBondContact O-N 2.87Å; Y90-F93 WeakPolarHBondContact O-CA 3.06Å; Y90-F93 WeakPolarHBondContact O-CB 3.28Å; Y90-F93 PolarHBondContact O-N 3.33Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.25Å; Y90-D191 PolarHBondContact N-OD1 3.26Å; Y90-K194 HydrophobicContact CD1-CB 3.8Å; Y90-K194 HydrophobicContact CD1-CD 3.83Å; Y90-K194 HydrophobicContact CD1-CG 4.47Å; Y90-K194 HydrophobicContact CD2-CB 3.71Å; Y90-K194 HydrophobicContact CE1-CB 4.2Å; Y90-K194 HydrophobicContact CE1-CD 3.5Å; Y90-K194 HydrophobicContact CE1-CG 4.47Å; Y90-K194 HydrophobicContact CE2-CB 4.07Å; Y90-K194 HydrophobicContact CE2-CD 4.36Å; Y90-K194 HydrophobicContact CG-CB 3.56Å; Y90-K194 HydrophobicContact CG-CD 4.42Å
91	D	91.6	Very high	88.2	Confident	62 Å²	62	80.5 Å²	80.5	33%	0.332	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60.2	-28.9	-179.4	-67.8	-53.1	0	0	0	112.9	S89 F93 R94 N97	S89-D91 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact O-N 3.07Å; S89-D91 WeakPolarHBondContact OG-CB 3.35Å; S89-D91 PolarHBondContact OG-N 2.95Å; S89-D91 PolarHBondContact OG-OD2 3.45Å; D91-F93 PolarHBondContact O-N 3.42Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-N97 PolarHBondContact O-ND2 3.43Å; D91-N97 VanDerWaalsContact O-ND2 3.14Å
92	F	92.1	Very high	88.4	Confident	33 Å²	33	85 Å²	85	15%	0.145	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23.6	172.2	-177.4	-94.4	0	0	0	112.5	R80 V84 S89 Y90 A100 I103 R104	R80-F92 HydrophobicContact CG-CE1 3.94Å; R80-F92 HydrophobicContact CG-CZ 4.24Å; V84-F92 HydrophobicContact CG1-CE2 4.35Å; V84-F92 HydrophobicContact CG2-CE2 4Å; V84-F92 HydrophobicContact CG2-CZ 3.89Å; S89-F92 PolarHBondContact O-N 3.22Å; Y90-F92 PolarHBondContact O-N 2.87Å; F92-A100 HydrophobicContact CD1-CB 4.47Å; F92-A100 HydrophobicContact CD2-CB 3.57Å; F92-A100 HydrophobicContact CE1-CB 4.49Å; F92-A100 HydrophobicContact CE2-CB 3.6Å; F92-A100 HydrophobicContact CG-CB 4.03Å; F92-A100 HydrophobicContact CZ-CB 4.08Å; F92-A100 WeakPolarHBondContact O-CB 3.46Å; F92-I103 HydrophobicContact CE2-CD1 4.4Å; F92-I103 HydrophobicContact CZ-CB 4.49Å; F92-I103 HydrophobicContact CZ-CG2 4.2Å; F92-R104 HydrophobicContact CE1-CG 3.79Å; F92-R104 HydrophobicContact CZ-CG 4.13Å
93	F	93.4	Very high	88.5	Confident	6 Å²	6	80.8 Å²	80.8	3%	0.026	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-96.8	-5.6	-176	-63.1	-65.4	0	0	0	115	Y87 Y90 D91 R104 R195 C198 Y199	Y87-F93 HydrophobicContact CD2-CE2 4.22Å; Y87-F93 HydrophobicContact CE2-CD2 4.11Å; Y87-F93 AromaticContact CE2-CE2 3.28Å; Y87-F93 HydrophobicContact CE2-CE2 3.28Å; Y87-F93 AromaticContact CE2-CZ 3.98Å; Y87-F93 HydrophobicContact CE2-CZ 3.98Å; Y87-F93 AromaticContact CZ-CE2 3.88Å; Y90-F93 WeakPolarHBondContact O-CA 3.06Å; Y90-F93 WeakPolarHBondContact O-CB 3.28Å; Y90-F93 PolarHBondContact O-N 3.33Å; D91-F93 PolarHBondContact O-N 3.42Å; F93-R104 PolarHBondContact O-NH1 2.92Å; F93-R104 VanDerWaalsContact O-NH1 3.1Å; F93-R104 PolarHBondContact O-NH2 2.94Å; F93-R195 HydrophobicContact CB-CG 4.27Å; F93-R195 HydrophobicContact CD2-CB 4.27Å; F93-R195 VanDerWaalsContact CD2-CD 3.46Å; F93-R195 HydrophobicContact CD2-CG 3.48Å; F93-R195 VanDerWaalsContact CD2-CG 3.48Å; F93-R195 HydrophobicContact CE2-CG 3.97Å; F93-R195 HydrophobicContact CG-CG 3.97Å; F93-C198 HydrophobicContact CB-CB 4.36Å; F93-Y199 HydrophobicContact CB-CE2 3.95Å; F93-Y199 AromaticContact CD1-CE2 3.99Å; F93-Y199 HydrophobicContact CD1-CE2 3.99Å; F93-Y199 AromaticContact CD1-CZ 3.99Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.4Å; F93-Y199 HydrophobicContact CG-CE2 4.07Å
94	R	93.4	Very high	88.7	Confident	99 Å²	99	78.8 Å²	78.8	37%	0.374	37%	0.374	S	S	.	.			trans	-59.1	149.6	177.1	-58.4	169.4	57.4	129.7	-0.8	111	D91 D96 N97 R104	D91-R94 PolarHBondContact O-N 2.9Å; R94-D96 WeakPolarHBondContact CB-OD1 3.34Å; R94-D96 IonicContact CZ-OD1 3.73Å; R94-D96 IonicContact CZ-OD2 3.97Å; R94-D96 IonicContact NE-OD1 3.08Å; R94-D96 PolarHBondContact NE-OD1 2.81Å; R94-D96 IonicContact NE-OD2 2.72Å; R94-D96 IonicContact NH2-OD1 2.67Å; R94-D96 IonicContact NH2-OD2 2.65Å; R94-D96 PolarHBondContact NH2-OD2 3.37Å; R94-N97 HydrophobicContact CB-CB 4.3Å; R94-R104 PolarHBondContact O-NH2 2.86Å
95	H	91.4	Very high	89.2	Confident	91 Å²	91	81.4 Å²	81.4	42%	0.421	38%	0.383	S	S	.	.	S	Bend	trans	-80.6	-22.8	-177.2	66.3	-81.7	0	0	0	112.5	T202	H95-T202 HydrophobicContact CB-CG2 3.83Å
96	D	93.5	Very high	90.3	Very high	84 Å²	84	76.9 Å²	76.9	45%	0.449	37%	0.365	S	S	.	.	S	Bend	trans	-86.1	-5.5	175.6	60.6	-12.6	0	0	0	113.3	R94 E98	R94-D96 WeakPolarHBondContact CB-OD1 3.34Å; R94-D96 IonicContact CZ-OD1 3.73Å; R94-D96 IonicContact CZ-OD2 3.97Å; R94-D96 IonicContact NE-OD1 3.08Å; R94-D96 PolarHBondContact NE-OD1 2.81Å; R94-D96 IonicContact NE-OD2 2.72Å; R94-D96 IonicContact NH2-OD1 2.67Å; R94-D96 IonicContact NH2-OD2 2.65Å; R94-D96 PolarHBondContact NH2-OD2 3.37Å; D96-E98 PolarHBondContact O-N 2.94Å; D96-E98 VanDerWaalsContact O-N 3.14Å
97	N	94.4	Very high	91.4	Very high	51 Å²	51	74 Å²	74	27%	0.273	34%	0.344	S	S	.	.			trans	-81.3	89	172.3	-172.5	-24.6	0	0	0	110.2	D91 R94 E99 A100 M101	D91-N97 PolarHBondContact O-ND2 3.43Å; D91-N97 VanDerWaalsContact O-ND2 3.14Å; R94-N97 HydrophobicContact CB-CB 4.3Å; N97-E99 PolarHBondContact O-N 3.36Å; N97-A100 HydrophobicContact CB-CB 4.12Å; N97-A100 VanDerWaalsContact CG-CB 3.44Å; N97-A100 PolarHBondContact O-N 3.01Å; N97-A100 WeakPolarHBondContact OD1-CB 3.28Å; N97-A100 PolarHBondContact OD1-N 3.23Å; N97-M101 WeakPolarHBondContact O-CB 3.42Å; N97-M101 VanDerWaalsContact O-CG 3.3Å; N97-M101 WeakPolarHBondContact O-CG 3.39Å; N97-M101 PolarHBondContact O-N 2.79Å
98	E	93.9	Very high	92.4	Very high	167 Å²	167	72 Å²	72	78%	0.78	34%	0.336	S	S	*	.	H	α-helix	trans	-59	-42.1	-175.9	-65.2	-172.1	174.5	0	0	113.3	D96 M101 K102	D96-E98 PolarHBondContact O-N 2.94Å; D96-E98 VanDerWaalsContact O-N 3.14Å; E98-M101 PolarHBondContact O-N 2.91Å; E98-K102 WeakPolarHBondContact O-CB 3.28Å; E98-K102 PolarHBondContact O-N 3.49Å
99	E	92.5	Very high	93.6	Very high	148 Å²	148	67.8 Å²	67.8	69%	0.692	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-49.1	179.4	-174	179.9	-176.9	0	0	110.9	N97 M101 K102 I103	N97-E99 PolarHBondContact O-N 3.36Å; E99-M101 VanDerWaalsContact C-N 3.32Å; E99-M101 PolarHBondContact O-N 3.41Å; E99-K102 WeakPolarHBondContact O-CB 3.24Å; E99-K102 PolarHBondContact O-N 3.35Å; E99-I103 HydrophobicContact CG-CD1 4.21Å; E99-I103 WeakPolarHBondContact O-CG1 3.35Å; E99-I103 PolarHBondContact O-N 3.11Å
100	A	91.8	Very high	94.1	Very high	2 Å²	2	69.4 Å²	69.4	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-33.1	178.5	0	0	0	0	0	112.5	F92 N97 R104	F92-A100 HydrophobicContact CD1-CB 4.47Å; F92-A100 HydrophobicContact CD2-CB 3.57Å; F92-A100 HydrophobicContact CE1-CB 4.49Å; F92-A100 HydrophobicContact CE2-CB 3.6Å; F92-A100 HydrophobicContact CG-CB 4.03Å; F92-A100 HydrophobicContact CZ-CB 4.08Å; F92-A100 WeakPolarHBondContact O-CB 3.46Å; N97-A100 HydrophobicContact CB-CB 4.12Å; N97-A100 VanDerWaalsContact CG-CB 3.44Å; N97-A100 PolarHBondContact O-N 3.01Å; N97-A100 WeakPolarHBondContact OD1-CB 3.28Å; N97-A100 PolarHBondContact OD1-N 3.23Å; A100-R104 WeakPolarHBondContact O-CB 3.47Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.36Å; A100-R104 PolarHBondContact O-N 3.22Å; A100-R104 PolarHBondContact O-NE 3.46Å
101	M	92.3	Very high	94.5	Very high	72 Å²	72	66.5 Å²	66.5	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-44.1	171.5	-78.8	-67	-77.7	0	0	111.4	N97 E98 E99 R104 K105	N97-M101 WeakPolarHBondContact O-CB 3.42Å; N97-M101 VanDerWaalsContact O-CG 3.3Å; N97-M101 WeakPolarHBondContact O-CG 3.39Å; N97-M101 PolarHBondContact O-N 2.79Å; E98-M101 PolarHBondContact O-N 2.91Å; E99-M101 VanDerWaalsContact C-N 3.32Å; E99-M101 PolarHBondContact O-N 3.41Å; M101-R104 PolarHBondContact O-N 2.72Å; M101-R104 PolarHBondContact SD-NH2 2.92Å; M101-K105 WeakPolarHBondContact O-CB 3.46Å; M101-K105 PolarHBondContact O-N 2.76Å
102	K	94.5	Very high	94.8	Very high	167 Å²	167	63.7 Å²	63.7	73%	0.726	30%	0.301	S	S	*	.	H	α-helix	trans	-61.1	-46.2	175.7	-171.9	179.2	-179.4	-179.3	0	111.5	E98 E99 K105 Q106	E98-K102 WeakPolarHBondContact O-CB 3.28Å; E98-K102 PolarHBondContact O-N 3.49Å; E99-K102 WeakPolarHBondContact O-CB 3.24Å; E99-K102 PolarHBondContact O-N 3.35Å; K102-K105 PolarHBondContact O-N 2.69Å; K102-Q106 WeakPolarHBondContact O-CB 3.38Å; K102-Q106 PolarHBondContact O-N 3.2Å
103	I	94.3	Very high	95.1	Very high	50 Å²	50	67.1 Å²	67.1	26%	0.256	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-48.6	176.9	-66.5	166.8	0	0	0	111	V84 F92 E99 K105 Q106 C107	V84-I103 HydrophobicContact CG2-CG2 3.64Å; F92-I103 HydrophobicContact CE2-CD1 4.4Å; F92-I103 HydrophobicContact CZ-CB 4.49Å; F92-I103 HydrophobicContact CZ-CG2 4.2Å; E99-I103 HydrophobicContact CG-CD1 4.21Å; E99-I103 WeakPolarHBondContact O-CG1 3.35Å; E99-I103 PolarHBondContact O-N 3.11Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.91Å; I103-Q106 PolarHBondContact O-N 3.3Å; I103-C107 PolarHBondContact O-N 2.79Å; I103-C107 PolarHBondContact O-SG 3.09Å
104	R	93.9	Very high	95.3	Very high	22 Å²	22	69.9 Å²	69.9	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-35.3	178.8	-74.6	-175.7	-68.8	177.8	-11.3	112.4	F92 F93 R94 A100 M101 A108 Y199	F92-R104 HydrophobicContact CE1-CG 3.79Å; F92-R104 HydrophobicContact CZ-CG 4.13Å; F93-R104 PolarHBondContact O-NH1 2.92Å; F93-R104 VanDerWaalsContact O-NH1 3.1Å; F93-R104 PolarHBondContact O-NH2 2.94Å; R94-R104 PolarHBondContact O-NH2 2.86Å; A100-R104 WeakPolarHBondContact O-CB 3.47Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.36Å; A100-R104 PolarHBondContact O-N 3.22Å; A100-R104 PolarHBondContact O-NE 3.46Å; M101-R104 PolarHBondContact O-N 2.72Å; M101-R104 PolarHBondContact SD-NH2 2.92Å; R104-A108 PolarHBondContact O-N 3.08Å; R104-Y199 PolarHBondContact NH1-OH 3.26Å
105	K	95.4	Very high	95.5	Very high	92 Å²	92	65.1 Å²	65.1	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-45.3	174.1	-173.4	170.1	-177.1	165.3	0	110.7	M101 K102 I103 C107 A108 L109 E137	M101-K105 WeakPolarHBondContact O-CB 3.46Å; M101-K105 PolarHBondContact O-N 2.76Å; K102-K105 PolarHBondContact O-N 2.69Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.91Å; K105-C107 PolarHBondContact O-N 2.8Å; K105-A108 WeakPolarHBondContact O-CB 3.23Å; K105-A108 PolarHBondContact O-N 3.07Å; K105-A108 VanDerWaalsContact O-N 3.09Å; K105-L109 PolarHBondContact O-N 3.15Å; K105-L109 VanDerWaalsContact O-N 3.08Å; K105-E137 IonicContact NZ-OE1 3.73Å
106	Q	96.5	Very high	95.9	Very high	111 Å²	111	64.2 Å²	64.2	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-43.2	177.1	-171.4	60.3	28.6	0	0	112.1	K102 I103 A108 L109 V110	K102-Q106 WeakPolarHBondContact O-CB 3.38Å; K102-Q106 PolarHBondContact O-N 3.2Å; I103-Q106 PolarHBondContact O-N 3.3Å; Q106-A108 PolarHBondContact O-N 3.37Å; Q106-L109 PolarHBondContact O-N 3.3Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; Q106-V110 WeakPolarHBondContact O-CG2 3.04Å; Q106-V110 PolarHBondContact O-N 2.76Å
107	C	96.9	Very high	96.1	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.054	30%	0.298	C	S	.	.	H	α-helix	trans	-57.4	-39.3	174.6	-64.7	0	0	0	0	111.7	L76 I103 K105 A111	L76-C107 HydrophobicContact CD1-CB 4.22Å; L76-C107 WeakPolarHBondContact CD1-O 3.37Å; I103-C107 PolarHBondContact O-N 2.79Å; I103-C107 PolarHBondContact O-SG 3.09Å; K105-C107 PolarHBondContact O-N 2.8Å; C107-A111 WeakPolarHBondContact O-CB 3.38Å; C107-A111 PolarHBondContact O-N 2.92Å
108	A	97.4	Very high	96.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-40.3	178.2	0	0	0	0	0	111.9	L76 R104 K105 Q106 A111 L112 F129 M141	L76-A108 HydrophobicContact CD1-CB 4.23Å; L76-A108 HydrophobicContact CD2-CB 4.05Å; R104-A108 PolarHBondContact O-N 3.08Å; K105-A108 WeakPolarHBondContact O-CB 3.23Å; K105-A108 PolarHBondContact O-N 3.07Å; K105-A108 VanDerWaalsContact O-N 3.09Å; Q106-A108 PolarHBondContact O-N 3.37Å; A108-A111 PolarHBondContact O-N 3.1Å; A108-L112 VanDerWaalsContact O-CG 3.28Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 2.99Å; A108-F129 HydrophobicContact CB-CZ 4.29Å; A108-M141 HydrophobicContact CB-CE 4.16Å
109	L	97.7	Very high	96.4	Very high	69 Å²	69	52.5 Å²	52.5	36%	0.361	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-45.3	176.5	-65.4	173.8	0	0	0	111.7	K105 Q106 A111 L112 E113 M141	K105-L109 PolarHBondContact O-N 3.15Å; K105-L109 VanDerWaalsContact O-N 3.08Å; Q106-L109 PolarHBondContact O-N 3.3Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; L109-A111 PolarHBondContact O-N 3.2Å; L109-L112 PolarHBondContact O-N 3.08Å; L109-E113 PolarHBondContact O-N 3.49Å; L109-M141 HydrophobicContact CD2-CE 4.28Å; L109-M141 HydrophobicContact CD2-SD 4.01Å
110	V	98.2	Very high	96.5	Very high	62 Å²	62	49.6 Å²	49.6	38%	0.376	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-47.7	176.2	174.6	0	0	0	0	110.9	Y79 Q106 L112 E113 D114	Y79-V110 HydrophobicContact CD1-CG1 4.09Å; Y79-V110 HydrophobicContact CE1-CG1 4.06Å; Q106-V110 WeakPolarHBondContact O-CG2 3.04Å; Q106-V110 PolarHBondContact O-N 2.76Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 3.36Å; V110-E113 PolarHBondContact O-N 3.14Å; V110-D114 PolarHBondContact O-N 2.93Å; V110-D114 VanDerWaalsContact O-N 3.09Å
111	A	98.3	Very high	96.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-31.8	178	0	0	0	0	0	113	L76 Y79 C107 A108 L109 D114 V115 F129	L76-A111 HydrophobicContact CD1-CB 3.79Å; Y79-A111 HydrophobicContact CD1-CB 4.25Å; Y79-A111 HydrophobicContact CD2-CB 3.99Å; Y79-A111 HydrophobicContact CE1-CB 4.07Å; Y79-A111 HydrophobicContact CE2-CB 3.81Å; Y79-A111 HydrophobicContact CG-CB 4.21Å; C107-A111 WeakPolarHBondContact O-CB 3.38Å; C107-A111 PolarHBondContact O-N 2.92Å; A108-A111 PolarHBondContact O-N 3.1Å; L109-A111 PolarHBondContact O-N 3.2Å; A111-D114 PolarHBondContact O-N 3.14Å; A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 2.92Å; A111-F129 HydrophobicContact CB-CE2 3.74Å; A111-F129 HydrophobicContact CB-CZ 4.42Å
112	L	98.5	Very high	96.7	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-71.2	-35.8	174.7	-73.6	172.5	0	0	0	112.3	L42 A108 L109 V110 D114 V115 K116 F129 M141 I142 F145	L42-L112 HydrophobicContact CD2-CD2 4.28Å; A108-L112 VanDerWaalsContact O-CG 3.28Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 2.99Å; L109-L112 PolarHBondContact O-N 3.08Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 3.36Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-V115 WeakPolarHBondContact O-CB 3.5Å; L112-V115 PolarHBondContact O-N 3.27Å; L112-K116 PolarHBondContact O-N 2.85Å; L112-F129 HydrophobicContact CD2-CD2 4.08Å; L112-F129 HydrophobicContact CD2-CE2 3.81Å; L112-F129 HydrophobicContact CD2-CZ 4.2Å; L112-F129 HydrophobicContact CG-CE2 3.93Å; L112-F129 HydrophobicContact CG-CZ 4.14Å; L112-M141 HydrophobicContact CD1-CE 3.72Å; L112-I142 HydrophobicContact CD1-CG1 4.35Å; L112-F145 HydrophobicContact CB-CD1 4.45Å; L112-F145 HydrophobicContact CB-CD2 4.13Å; L112-F145 HydrophobicContact CB-CE1 4.27Å; L112-F145 HydrophobicContact CB-CE2 3.93Å; L112-F145 HydrophobicContact CB-CG 4.38Å; L112-F145 HydrophobicContact CB-CZ 4Å; L112-F145 HydrophobicContact CD1-CB 4.37Å; L112-F145 HydrophobicContact CD1-CD1 4.47Å; L112-F145 HydrophobicContact CD1-CG 4.21Å; L112-F145 HydrophobicContact CD2-CD1 3.79Å; L112-F145 HydrophobicContact CD2-CE1 3.85Å; L112-F145 HydrophobicContact CD2-CG 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.43Å; L112-F145 HydrophobicContact CG-CD1 4.46Å; L112-F145 WeakPolarHBondContact O-CZ 3.45Å
113	E	98.2	Very high	96.6	Very high	105 Å²	105	53.9 Å²	53.9	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-39.4	171.6	-70.1	-56.5	138.2	0	0	111.4	L109 V110 V115 K116 A117	L109-E113 PolarHBondContact O-N 3.49Å; V110-E113 PolarHBondContact O-N 3.14Å; E113-V115 VanDerWaalsContact C-N 3.32Å; E113-V115 PolarHBondContact O-N 3.09Å; E113-K116 WeakPolarHBondContact O-CB 3.48Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 VanDerWaalsContact O-N 3.14Å; E113-A117 PolarHBondContact O-N 3.26Å
114	D	98.4	Very high	96.7	Very high	63 Å²	63	51.7 Å²	51.7	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-34.9	174	-65.3	-14	0	0	0	112.2	F74 Y79 V110 A111 L112 K116 A117 Y118	F74-D114 HydrophobicContact CD1-CB 4.08Å; F74-D114 HydrophobicContact CE1-CB 3.72Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.46Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.25Å; Y79-D114 PolarHBondContact OH-OD2 2.94Å; V110-D114 PolarHBondContact O-N 2.93Å; V110-D114 VanDerWaalsContact O-N 3.09Å; A111-D114 PolarHBondContact O-N 3.14Å; L112-D114 VanDerWaalsContact C-N 3.32Å; D114-K116 VanDerWaalsContact C-N 3.33Å; D114-A117 PolarHBondContact O-N 3.4Å; D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3.42Å
115	V	98.4	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-44.1	171.4	163.7	0	0	0	0	110.7	L42 F74 A111 L112 E113 Y118 F119 A127 F129 F145	L42-V115 HydrophobicContact CD1-CG1 3.87Å; L42-V115 HydrophobicContact CD1-CG2 4.35Å; F74-V115 HydrophobicContact CB-CG2 4.27Å; F74-V115 HydrophobicContact CD1-CG2 3.87Å; F74-V115 HydrophobicContact CD2-CG2 3.55Å; F74-V115 HydrophobicContact CE1-CG2 4.06Å; F74-V115 HydrophobicContact CE2-CG2 3.76Å; F74-V115 HydrophobicContact CG-CG2 3.61Å; F74-V115 HydrophobicContact CZ-CG2 4Å; A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.46Å; A111-V115 PolarHBondContact O-N 2.92Å; L112-V115 WeakPolarHBondContact O-CB 3.5Å; L112-V115 PolarHBondContact O-N 3.27Å; E113-V115 VanDerWaalsContact C-N 3.32Å; E113-V115 PolarHBondContact O-N 3.09Å; V115-Y118 PolarHBondContact O-N 3.01Å; V115-F119 HydrophobicContact CG1-CD2 3.91Å; V115-F119 HydrophobicContact CG1-CE2 3.59Å; V115-F119 HydrophobicContact CG1-CZ 4.33Å; V115-F119 WeakPolarHBondContact O-CD2 3.05Å; V115-F119 PolarHBondContact O-N 3.38Å; V115-F119 VanDerWaalsContact O-N 3.12Å; V115-A127 HydrophobicContact CB-CB 4.43Å; V115-A127 HydrophobicContact CG1-CB 3.78Å; V115-A127 HydrophobicContact CG2-CB 4.01Å; V115-F129 HydrophobicContact CG2-CD2 4.29Å; V115-F145 HydrophobicContact CG1-CE1 4.27Å
116	K	98	Very high	97	Very high	72 Å²	72	48.2 Å²	48.2	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-52.5	177.3	-178.4	-178.8	173.6	-173.9	0	110.4	L112 E113 D114 Y118 F119 T120 F145 N149	L112-K116 PolarHBondContact O-N 2.85Å; E113-K116 WeakPolarHBondContact O-CB 3.48Å; E113-K116 PolarHBondContact O-N 3.33Å; E113-K116 VanDerWaalsContact O-N 3.14Å; D114-K116 VanDerWaalsContact C-N 3.33Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 3.37Å; K116-F119 PolarHBondContact O-N 3.03Å; K116-T120 HydrophobicContact CG-CG2 4.41Å; K116-T120 PolarHBondContact O-N 3.41Å; K116-T120 PolarHBondContact O-OG1 2.89Å; K116-F145 HydrophobicContact CB-CE2 4.3Å; K116-F145 HydrophobicContact CB-CZ 3.95Å; K116-N149 WeakPolarHBondContact CD-OD1 3.34Å; K116-N149 VanDerWaalsContact CE-OD1 3.31Å; K116-N149 WeakPolarHBondContact CE-OD1 3.37Å
117	A	98.1	Very high	97.1	Very high	24 Å²	24	43 Å²	43	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-42.7	177.6	0	0	0	0	0	111.4	E113 D114 F119 T120 E121 E122	E113-A117 PolarHBondContact O-N 3.26Å; D114-A117 PolarHBondContact O-N 3.4Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 3.36Å; A117-T120 PolarHBondContact O-N 2.9Å; A117-E121 WeakPolarHBondContact O-CA 3.38Å; A117-E121 VanDerWaalsContact O-CB 3.25Å; A117-E121 WeakPolarHBondContact O-CB 3.5Å; A117-E121 PolarHBondContact O-N 3.4Å; A117-E122 PolarHBondContact O-N 2.93Å
118	Y	98.3	Very high	97.2	Very high	17 Å²	17	42.6 Å²	42.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-42.2	176.5	178.8	-113.2	0	0	0	113.2	P70 T71 K72 F74 D114 V115 K116 E122 G124 I126 A127	P70-Y118 PolarHBondContact O-OH 3.1Å; T71-Y118 PolarHBondContact N-OH 2.97Å; K72-Y118 HydrophobicContact CB-CD1 4.21Å; K72-Y118 HydrophobicContact CB-CD2 4.27Å; K72-Y118 HydrophobicContact CB-CE1 3.75Å; K72-Y118 HydrophobicContact CB-CE2 3.83Å; K72-Y118 HydrophobicContact CB-CG 4.45Å; K72-Y118 HydrophobicContact CD-CD2 3.61Å; K72-Y118 HydrophobicContact CD-CE2 3.74Å; K72-Y118 HydrophobicContact CD-CG 4.12Å; K72-Y118 HydrophobicContact CG-CE2 4.46Å; F74-Y118 HydrophobicContact CE2-CD1 4.19Å; F74-Y118 HydrophobicContact CE2-CG 4.43Å; F74-Y118 HydrophobicContact CZ-CD1 4.2Å; F74-Y118 AromaticContact CZ-CG 3.98Å; F74-Y118 HydrophobicContact CZ-CG 3.98Å; D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3.42Å; V115-Y118 PolarHBondContact O-N 3.01Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 3.37Å; Y118-E122 HydrophobicContact CD2-CB 3.81Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 WeakPolarHBondContact CD2-OE2 3.35Å; Y118-E122 HydrophobicContact CE2-CB 4.34Å; Y118-E122 PolarHBondContact O-N 2.89Å; Y118-G124 VanDerWaalsContact CE1-CA 3.42Å; Y118-G124 WeakPolarHBondContact O-CA 3.47Å; Y118-G124 PolarHBondContact O-N 2.88Å; Y118-I126 WeakPolarHBondContact CE1-O 3.27Å; Y118-A127 HydrophobicContact CD1-CB 4.41Å
119	F	96.5	Very high	97.2	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-74.6	-38.9	177.7	-68.4	-33.4	0	0	0	113.6	P40 T41 V115 K116 A117 A127 F151	P40-F119 HydrophobicContact CB-CB 4.18Å; P40-F119 HydrophobicContact CB-CD1 3.65Å; P40-F119 HydrophobicContact CB-CD2 3.92Å; P40-F119 HydrophobicContact CB-CE1 3.85Å; P40-F119 HydrophobicContact CB-CE2 4.1Å; P40-F119 HydrophobicContact CB-CG 3.67Å; P40-F119 HydrophobicContact CB-CZ 4.05Å; P40-F119 HydrophobicContact CG-CB 4.34Å; P40-F119 HydrophobicContact CG-CD1 4.49Å; P40-F119 HydrophobicContact CG-CG 4.36Å; T41-F119 WeakPolarHBondContact O-CZ 3.16Å; V115-F119 HydrophobicContact CG1-CD2 3.91Å; V115-F119 HydrophobicContact CG1-CE2 3.59Å; V115-F119 HydrophobicContact CG1-CZ 4.33Å; V115-F119 WeakPolarHBondContact O-CD2 3.05Å; V115-F119 PolarHBondContact O-N 3.38Å; V115-F119 VanDerWaalsContact O-N 3.12Å; K116-F119 PolarHBondContact O-N 3.03Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 3.36Å; F119-A127 HydrophobicContact CE1-CB 3.76Å; F119-A127 HydrophobicContact CE2-CB 3.97Å; F119-A127 HydrophobicContact CZ-CB 3.32Å; F119-A127 VanDerWaalsContact CZ-N 3.31Å; F119-F151 HydrophobicContact CB-CE1 3.94Å; F119-F151 HydrophobicContact CB-CZ 3.93Å; F119-F151 AromaticContact CD2-CD1 3.91Å; F119-F151 HydrophobicContact CD2-CD1 3.91Å; F119-F151 AromaticContact CD2-CD2 3.81Å; F119-F151 HydrophobicContact CD2-CD2 3.81Å; F119-F151 AromaticContact CD2-CE1 3.72Å; F119-F151 HydrophobicContact CD2-CE1 3.72Å; F119-F151 AromaticContact CD2-CE2 3.61Å; F119-F151 HydrophobicContact CD2-CE2 3.61Å; F119-F151 AromaticContact CD2-CG 3.97Å; F119-F151 HydrophobicContact CD2-CG 3.97Å; F119-F151 AromaticContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CE2-CD1 4.4Å; F119-F151 HydrophobicContact CE2-CD2 4.01Å; F119-F151 HydrophobicContact CE2-CE2 4.24Å; F119-F151 HydrophobicContact CE2-CG 4.11Å; F119-F151 HydrophobicContact CG-CE1 4.23Å; F119-F151 HydrophobicContact CG-CZ 4.24Å
120	T	94.1	Very high	97.2	Very high	87 Å²	87	39.5 Å²	39.5	53%	0.534	21%	0.208	S	C	.	.	H	α-helix	trans	-90.3	-29.8	-172.1	54.5	0	0	0	0	113.6	K116 A117	K116-T120 HydrophobicContact CG-CG2 4.41Å; K116-T120 PolarHBondContact O-N 3.41Å; K116-T120 PolarHBondContact O-OG1 2.89Å; A117-T120 PolarHBondContact O-N 2.9Å
121	E	95.3	Very high	97.2	Very high	155 Å²	155	37 Å²	37	72%	0.724	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-40.9	-170.4	-56.8	171.5	-156	0	0	111.9	A117	A117-E121 WeakPolarHBondContact O-CA 3.38Å; A117-E121 VanDerWaalsContact O-CB 3.25Å; A117-E121 WeakPolarHBondContact O-CB 3.5Å; A117-E121 PolarHBondContact O-N 3.4Å
122	E	94.3	Very high	97.1	Very high	107 Å²	107	38.3 Å²	38.3	50%	0.5	20%	0.202	S	C	.	.	S	Bend	trans	-90.3	4.7	-175.5	-58.5	178.2	-139	0	0	114.1	K72 A117 Y118 G124	K72-E122 IonicContact NZ-OE1 2.87Å; K72-E122 PolarHBondContact NZ-OE1 3.43Å; K72-E122 IonicContact NZ-OE2 3.86Å; K72-E122 PolarHBondContact NZ-OE2 3.05Å; K72-E122 VanDerWaalsContact NZ-OE2 3.1Å; A117-E122 PolarHBondContact O-N 2.93Å; Y118-E122 HydrophobicContact CD2-CB 3.81Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 WeakPolarHBondContact CD2-OE2 3.35Å; Y118-E122 HydrophobicContact CE2-CB 4.34Å; Y118-E122 PolarHBondContact O-N 2.89Å; E122-G124 PolarHBondContact O-N 3.37Å
123	S	92.4	Very high	97.1	Very high	68 Å²	68	38.2 Å²	38.2	48%	0.476	20%	0.201	S	C	.	.			trans	58.4	26.5	-174.3	-60.6	0	0	0	0	114.7	K28	K28-S123 PolarHBondContact NZ-OG 3.49Å
124	G	95.3	Very high	97.1	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	18%	0.179	C	C	.	.			trans	-64.1	149.1	173.2	0	0	0	0	0	113	Y118 E122	Y118-G124 VanDerWaalsContact CE1-CA 3.42Å; Y118-G124 WeakPolarHBondContact O-CA 3.47Å; Y118-G124 PolarHBondContact O-N 2.88Å; E122-G124 PolarHBondContact O-N 3.37Å
125	Q	96.8	Very high	97	Very high	41 Å²	41	32.1 Å²	32.1	19%	0.192	17%	0.174	C	C	.	.			trans	-113.5	-34.5	176.9	-70.5	-174	-6.6	0	0	112.7	S34 T37 P40 T41 V69 P70	S34-Q125 VanDerWaalsContact OG-CD 3.29Å; S34-Q125 PolarHBondContact OG-NE2 3.12Å; S34-Q125 PolarHBondContact OG-OE1 3.43Å; T37-Q125 HydrophobicContact CG2-CB 4.12Å; P40-Q125 CarbonylContact C-O 3.59Å; P40-Q125 VanDerWaalsContact CA-O 3.27Å; P40-Q125 WeakPolarHBondContact CA-O 3.46Å; T41-Q125 PolarHBondContact N-O 2.77Å; V69-Q125 HydrophobicContact CG1-CB 4.11Å; P70-Q125 PolarHBondContact O-N 3.24Å
126	I	98.5	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.4	178	-59.5	176.2	0	0	0	110.9	T41 I43 L64 V69 P70 T71 K72 Y118 V128 I236	T41-I126 WeakPolarHBondContact O-CA 3.34Å; I43-I126 HydrophobicContact CD1-CG2 3.55Å; I43-I126 HydrophobicContact CG1-CG2 3.82Å; L64-I126 HydrophobicContact CD1-CD1 3.76Å; L64-I126 HydrophobicContact CD1-CG2 4.25Å; L64-I126 HydrophobicContact CD2-CD1 3.99Å; L64-I126 HydrophobicContact CG-CD1 4.4Å; V69-I126 HydrophobicContact CG1-CD1 3.55Å; V69-I126 HydrophobicContact CG1-CG1 3.93Å; P70-I126 PolarHBondContact O-N 3.25Å; T71-I126 VanDerWaalsContact CA-O 3.24Å; T71-I126 WeakPolarHBondContact CA-O 3.33Å; T71-I126 HydrophobicContact CG2-CB 3.87Å; T71-I126 HydrophobicContact CG2-CG2 3.79Å; K72-I126 PolarHBondContact N-O 3.01Å; K72-I126 VanDerWaalsContact N-O 3.11Å; Y118-I126 WeakPolarHBondContact CE1-O 3.27Å; I126-V128 HydrophobicContact CG2-CG2 4.42Å; I126-I236 HydrophobicContact CD1-CD1 4.24Å; I126-I236 HydrophobicContact CD1-CG1 3.61Å
127	A	98.7	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.5	170.8	0	0	0	0	0	108.9	T41 L42 I43 K72 F74 V115 Y118 F119	T41-A127 PolarHBondContact O-N 2.95Å; T41-A127 VanDerWaalsContact O-N 3.09Å; L42-A127 HydrophobicContact CD1-CB 3.9Å; I43-A127 PolarHBondContact N-O 3.49Å; K72-A127 WeakPolarHBondContact O-CA 3.44Å; F74-A127 HydrophobicContact CD2-CB 3.94Å; F74-A127 HydrophobicContact CE2-CB 3.61Å; V115-A127 HydrophobicContact CB-CB 4.43Å; V115-A127 HydrophobicContact CG1-CB 3.78Å; V115-A127 HydrophobicContact CG2-CB 4.01Å; Y118-A127 HydrophobicContact CD1-CB 4.41Å; F119-A127 HydrophobicContact CE1-CB 3.76Å; F119-A127 HydrophobicContact CE2-CB 3.97Å; F119-A127 HydrophobicContact CZ-CB 3.32Å; F119-A127 VanDerWaalsContact CZ-N 3.31Å
128	V	98.8	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106	175.3	-174.6	0	0	0	0	109	I43 M45 T61 T71 K72 V73 F74 I126 D130	I43-V128 HydrophobicContact CB-CG2 4.26Å; I43-V128 HydrophobicContact CD1-CG2 4.26Å; I43-V128 HydrophobicContact CG2-CG1 4.38Å; I43-V128 CarbonylContact O-C 3.53Å; I43-V128 WeakPolarHBondContact O-CA 3.22Å; M45-V128 HydrophobicContact CG-CG1 4.11Å; M45-V128 HydrophobicContact SD-CG1 4.09Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.31Å; T71-V128 HydrophobicContact CG2-CG2 3.91Å; K72-V128 PolarHBondContact O-N 3.32Å; V73-V128 WeakPolarHBondContact CA-O 3.5Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; F74-V128 PolarHBondContact N-O 3.17Å; I126-V128 HydrophobicContact CG2-CG2 4.42Å; V128-D130 PolarHBondContact O-N 3.02Å
129	F	98.6	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	93.6	179.3	-163.2	-102.4	0	0	0	110.2	L42 I43 M45 F74 L76 A108 A111 L112 V115 A131 I142	L42-F129 HydrophobicContact CD1-CB 3.92Å; I43-F129 PolarHBondContact O-N 2.65Å; M45-F129 PolarHBondContact N-O 3.01Å; M45-F129 VanDerWaalsContact N-O 3.07Å; F74-F129 HydrophobicContact CB-CD2 4.34Å; L76-F129 HydrophobicContact CD1-CZ 4.22Å; A108-F129 HydrophobicContact CB-CZ 4.29Å; A111-F129 HydrophobicContact CB-CE2 3.74Å; A111-F129 HydrophobicContact CB-CZ 4.42Å; L112-F129 HydrophobicContact CD2-CD2 4.08Å; L112-F129 HydrophobicContact CD2-CE2 3.81Å; L112-F129 HydrophobicContact CD2-CZ 4.2Å; L112-F129 HydrophobicContact CG-CE2 3.93Å; L112-F129 HydrophobicContact CG-CZ 4.14Å; V115-F129 HydrophobicContact CG2-CD2 4.29Å; F129-A131 HydrophobicContact CD1-CB 4.49Å; F129-A131 HydrophobicContact CE1-CB 4.24Å; F129-A131 PolarHBondContact O-N 3.46Å; F129-I142 HydrophobicContact CD1-CD1 4.03Å; F129-I142 HydrophobicContact CE1-CD1 3.88Å
130	D	98	Very high	97.1	Very high	5 Å²	5	40 Å²	40	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	95.3	-175.3	179.3	24.3	0	0	0	111.3	M45 T54 V73 F74 N75 L76 V128	M45-D130 HydrophobicContact CG-CB 4.35Å; T54-D130 VanDerWaalsContact CA-OD2 3.27Å; T54-D130 WeakPolarHBondContact CA-OD2 3.31Å; T54-D130 VanDerWaalsContact CB-OD2 3.26Å; T54-D130 WeakPolarHBondContact CB-OD2 3.38Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.36Å; T54-D130 PolarHBondContact OG1-OD2 3.15Å; V73-D130 HydrophobicContact CG1-CB 4.03Å; F74-D130 PolarHBondContact O-N 3.49Å; N75-D130 PolarHBondContact ND2-OD2 3.08Å; L76-D130 PolarHBondContact N-O 3.47Å; V128-D130 PolarHBondContact O-N 3.02Å
131	A	96.7	Very high	97.3	Very high	9 Å²	9	37.6 Å²	37.6	7%	0.074	19%	0.189	C	C	.	.	S	Bend	trans	-146	179.3	173.1	0	0	0	0	0	110.7	K53 L76 F129	K53-A131 WeakPolarHBondContact CD-O 3.42Å; K53-A131 WeakPolarHBondContact CE-O 3.12Å; L76-A131 HydrophobicContact CB-CB 3.75Å; L76-A131 HydrophobicContact CD2-CB 3.66Å; L76-A131 HydrophobicContact CG-CB 4.34Å; F129-A131 HydrophobicContact CD1-CB 4.49Å; F129-A131 HydrophobicContact CE1-CB 4.24Å; F129-A131 PolarHBondContact O-N 3.46Å
132	T	96.8	Very high	97.5	Very high	28 Å²	28	30.2 Å²	30.2	17%	0.172	15%	0.154	C	C	.	.			trans	-71.7	-42.3	176.7	50	0	0	0	0	112.5	I46 G47 P49 T134 Y199	I46-T132 CarbonylContact C-O 3.56Å; I46-T132 WeakPolarHBondContact CA-O 3.35Å; G47-T132 PolarHBondContact N-O 3.3Å; G47-T132 WeakPolarHBondContact O-CA 2.98Å; P49-T132 HydrophobicContact CG-CG2 4.31Å; T132-T134 WeakPolarHBondContact O-CG2 3.3Å; T132-T134 PolarHBondContact O-N 2.92Å; T132-Y199 HydrophobicContact CG2-CD1 4.17Å; T132-Y199 HydrophobicContact CG2-CE1 3.91Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.48Å
133	N	98.3	Very high	97.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.141	C	C	.	.			trans	43.8	37.5	178.3	-57	-40.7	0	0	0	114.1	V44 M45 I46 T135 R138 R139	V44-N133 HydrophobicContact CG1-CB 4.34Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.39Å; M45-N133 WeakPolarHBondContact O-CB 3.33Å; M45-N133 PolarHBondContact O-ND2 3.44Å; I46-N133 HydrophobicContact CG1-CB 4.13Å; N133-T135 VanDerWaalsContact C-N 3.33Å; N133-T135 PolarHBondContact O-N 3.09Å; N133-R138 HydrophobicContact CB-CG 4.42Å; N133-R138 WeakPolarHBondContact OD1-CG 3.27Å; N133-R139 PolarHBondContact O-NH1 3.32Å
134	T	97.9	Very high	98	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.031	14%	0.141	C	C	.	.			trans	-76.8	-14.3	-169.8	43.2	0	0	0	0	113.8	L48 T132 R139 Y203 Q204	L48-T134 HydrophobicContact CD2-CG2 4.28Å; T132-T134 WeakPolarHBondContact O-CG2 3.3Å; T132-T134 PolarHBondContact O-N 2.92Å; T134-R139 PolarHBondContact O-NH1 3.28Å; T134-Y203 HydrophobicContact CG2-CD2 3.54Å; T134-Y203 HydrophobicContact CG2-CE2 3.9Å; T134-Y203 HydrophobicContact CG2-CG 4.18Å; T134-Q204 PolarHBondContact O-N 3.12Å
135	T	98.1	Very high	98.1	Very high	35 Å²	35	28.7 Å²	28.7	22%	0.215	14%	0.142	C	C	.	.	S	Bend	trans	-105	148.2	-179.3	67.7	0	0	0	0	111.5	N133 R138 R139	N133-T135 VanDerWaalsContact C-N 3.33Å; N133-T135 PolarHBondContact O-N 3.09Å; T135-R138 PolarHBondContact O-N 3.21Å; T135-R138 WeakPolarHBondContact OG1-CB 3.38Å; T135-R138 PolarHBondContact OG1-N 2.9Å; T135-R139 PolarHBondContact O-N 3.18Å
136	R	98.3	Very high	98.2	Very high	68 Å²	68	26.9 Å²	26.9	26%	0.257	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-45.1	174.6	-71.7	172	176.7	175.3	-0.3	111.8	R138 R139 D140 Q204 D207 Y211	R136-R138 VanDerWaalsContact C-N 3.26Å; R136-R138 PolarHBondContact O-N 2.98Å; R136-R139 CarbonylContact O-C 3.32Å; R136-R139 WeakPolarHBondContact O-CA 3.45Å; R136-R139 PolarHBondContact O-N 2.97Å; R136-D140 PolarHBondContact O-N 3.35Å; R136-Q204 HydrophobicContact CG-CB 4.15Å; R136-D207 IonicContact NH2-OD2 3.45Å; R136-Y211 HydrophobicContact CB-CE1 4Å; R136-Y211 HydrophobicContact CG-CD1 4.03Å; R136-Y211 HydrophobicContact CG-CE1 3.63Å
137	E	97.8	Very high	98.1	Very high	130 Å²	130	35.1 Å²	35.1	61%	0.607	17%	0.17	S	C	*	.	H	α-helix	trans	-52.2	-43.3	177.1	-171.3	-157	153.6	0	0	112.5	K105 D140 M141	K105-E137 IonicContact NZ-OE1 3.73Å; E137-D140 PolarHBondContact O-N 2.89Å; E137-M141 PolarHBondContact O-N 3.35Å
138	R	97.8	Very high	98	Very high	38 Å²	38	42.6 Å²	42.6	14%	0.143	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-39.8	177.8	179.3	58.4	62.2	84.4	3.1	111.7	N133 T135 R136 M141 I142	N133-R138 HydrophobicContact CB-CG 4.42Å; N133-R138 WeakPolarHBondContact OD1-CG 3.27Å; T135-R138 PolarHBondContact O-N 3.21Å; T135-R138 WeakPolarHBondContact OG1-CB 3.38Å; T135-R138 PolarHBondContact OG1-N 2.9Å; R136-R138 VanDerWaalsContact C-N 3.26Å; R136-R138 PolarHBondContact O-N 2.98Å; R138-M141 WeakPolarHBondContact O-CB 3.47Å; R138-M141 PolarHBondContact O-N 3.07Å; R138-I142 HydrophobicContact CG-CD1 4.26Å; R138-I142 WeakPolarHBondContact O-CG1 3.37Å; R138-I142 PolarHBondContact O-N 3.27Å
139	R	98.6	Very high	97.9	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-39.9	178.9	-64.2	-168.3	-62.1	-98	15	111.3	I46 N133 T134 T135 R136 M141 I142 L143 F155 Q204 D212	I46-R139 VanDerWaalsContact CD1-CD 3.45Å; N133-R139 PolarHBondContact O-NH1 3.32Å; T134-R139 PolarHBondContact O-NH1 3.28Å; T135-R139 PolarHBondContact O-N 3.18Å; R136-R139 CarbonylContact O-C 3.32Å; R136-R139 WeakPolarHBondContact O-CA 3.45Å; R136-R139 PolarHBondContact O-N 2.97Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 3.2Å; R139-I142 PolarHBondContact O-N 3.13Å; R139-I142 VanDerWaalsContact O-N 3.14Å; R139-L143 WeakPolarHBondContact O-CG 3.41Å; R139-L143 PolarHBondContact O-N 3.06Å; R139-F155 HydrophobicContact CB-CE1 4.26Å; R139-F155 HydrophobicContact CB-CZ 4.5Å; R139-F155 HydrophobicContact CG-CE1 4.19Å; R139-Q204 PolarHBondContact NH1-O 3.4Å; R139-Q204 PolarHBondContact NH2-O 2.93Å; R139-D212 IonicContact NH2-OD1 2.83Å; R139-D212 IonicContact NH2-OD2 3.48Å
140	D	98.4	Very high	97.8	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-40.9	174.7	-67.1	-22.1	0	0	0	111.8	R136 E137 I142 L143 N144 Y211	R136-D140 PolarHBondContact O-N 3.35Å; E137-D140 PolarHBondContact O-N 2.89Å; D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 2.8Å; D140-L143 PolarHBondContact O-N 3.48Å; D140-N144 WeakPolarHBondContact O-CB 3.37Å; D140-N144 VanDerWaalsContact O-CG 3.24Å; D140-N144 PolarHBondContact O-N 3.14Å; D140-N144 PolarHBondContact O-ND2 3.09Å; D140-N144 VanDerWaalsContact O-ND2 3.12Å; D140-Y211 PolarHBondContact OD1-OH 3.45Å; D140-Y211 PolarHBondContact OD2-OH 2.99Å
141	M	98.4	Very high	97.7	Very high	37 Å²	37	49.2 Å²	49.2	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-45.2	172.8	-174.1	-164.6	84	0	0	111.6	A108 L109 L112 E137 R138 R139 F145	A108-M141 HydrophobicContact CB-CE 4.16Å; L109-M141 HydrophobicContact CD2-CE 4.28Å; L109-M141 HydrophobicContact CD2-SD 4.01Å; L112-M141 HydrophobicContact CD1-CE 3.72Å; E137-M141 PolarHBondContact O-N 3.35Å; R138-M141 WeakPolarHBondContact O-CB 3.47Å; R138-M141 PolarHBondContact O-N 3.07Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 3.2Å; M141-F145 PolarHBondContact O-N 3.42Å; M141-F145 VanDerWaalsContact O-N 3.08Å
142	I	98.6	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.1	-41.3	179	-63.9	164.4	0	0	0	111.1	L42 V44 L112 F129 R138 R139 D140 F145 A146	L42-I142 HydrophobicContact CD2-CG2 3.61Å; V44-I142 HydrophobicContact CG1-CD1 3.95Å; V44-I142 HydrophobicContact CG2-CG2 3.74Å; L112-I142 HydrophobicContact CD1-CG1 4.35Å; F129-I142 HydrophobicContact CD1-CD1 4.03Å; F129-I142 HydrophobicContact CE1-CD1 3.88Å; R138-I142 HydrophobicContact CG-CD1 4.26Å; R138-I142 WeakPolarHBondContact O-CG1 3.37Å; R138-I142 PolarHBondContact O-N 3.27Å; R139-I142 PolarHBondContact O-N 3.13Å; R139-I142 VanDerWaalsContact O-N 3.14Å; D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 2.8Å; I142-F145 WeakPolarHBondContact O-CB 3.3Å; I142-F145 PolarHBondContact O-N 3.31Å; I142-A146 WeakPolarHBondContact O-CB 3.38Å; I142-A146 PolarHBondContact O-N 2.91Å
143	L	98.6	Very high	97.9	Very high	41 Å²	41	50.7 Å²	50.7	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-42.9	176.2	-75.1	167	0	0	0	111.7	R139 D140 A146 K147 V153 F155 L215	R139-L143 WeakPolarHBondContact O-CG 3.41Å; R139-L143 PolarHBondContact O-N 3.06Å; D140-L143 PolarHBondContact O-N 3.48Å; L143-A146 PolarHBondContact O-N 2.92Å; L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 PolarHBondContact O-N 2.91Å; L143-V153 HydrophobicContact CD2-CB 4.13Å; L143-V153 HydrophobicContact CD2-CG1 4.15Å; L143-V153 HydrophobicContact CD2-CG2 4.16Å; L143-F155 HydrophobicContact CD1-CZ 4.19Å; L143-F155 HydrophobicContact CD2-CE2 3.98Å; L143-F155 HydrophobicContact CD2-CZ 3.85Å; L143-F155 HydrophobicContact CG-CE2 4.48Å; L143-F155 HydrophobicContact CG-CZ 3.93Å; L143-L215 HydrophobicContact CD1-CD1 4.3Å; L143-L215 HydrophobicContact CD1-CD2 3.9Å; L143-L215 HydrophobicContact CD2-CD2 4.17Å
144	N	98.4	Very high	97.9	Very high	90 Å²	90	50.6 Å²	50.6	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.2	-75	-33.8	0	0	0	111.6	D140 A146 K147 Q148	D140-N144 WeakPolarHBondContact O-CB 3.37Å; D140-N144 VanDerWaalsContact O-CG 3.24Å; D140-N144 PolarHBondContact O-N 3.14Å; D140-N144 PolarHBondContact O-ND2 3.09Å; D140-N144 VanDerWaalsContact O-ND2 3.12Å; N144-A146 PolarHBondContact O-N 3.03Å; N144-K147 PolarHBondContact O-N 3.27Å; N144-Q148 VanDerWaalsContact O-CG 3.26Å; N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.77Å
145	F	98.4	Very high	97.9	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-47.5	173.1	165.9	-91.5	0	0	0	111.8	L42 L112 V115 K116 M141 I142 K147 Q148 N149 F151	L42-F145 HydrophobicContact CD2-CD1 4.45Å; L42-F145 HydrophobicContact CD2-CE1 4.48Å; L112-F145 HydrophobicContact CB-CD1 4.45Å; L112-F145 HydrophobicContact CB-CD2 4.13Å; L112-F145 HydrophobicContact CB-CE1 4.27Å; L112-F145 HydrophobicContact CB-CE2 3.93Å; L112-F145 HydrophobicContact CB-CG 4.38Å; L112-F145 HydrophobicContact CB-CZ 4Å; L112-F145 HydrophobicContact CD1-CB 4.37Å; L112-F145 HydrophobicContact CD1-CD1 4.47Å; L112-F145 HydrophobicContact CD1-CG 4.21Å; L112-F145 HydrophobicContact CD2-CD1 3.79Å; L112-F145 HydrophobicContact CD2-CE1 3.85Å; L112-F145 HydrophobicContact CD2-CG 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.43Å; L112-F145 HydrophobicContact CG-CD1 4.46Å; L112-F145 WeakPolarHBondContact O-CZ 3.45Å; V115-F145 HydrophobicContact CG1-CE1 4.27Å; K116-F145 HydrophobicContact CB-CE2 4.3Å; K116-F145 HydrophobicContact CB-CZ 3.95Å; M141-F145 PolarHBondContact O-N 3.42Å; M141-F145 VanDerWaalsContact O-N 3.08Å; I142-F145 WeakPolarHBondContact O-CB 3.3Å; I142-F145 PolarHBondContact O-N 3.31Å; F145-K147 PolarHBondContact O-N 3.15Å; F145-Q148 PolarHBondContact O-N 3.02Å; F145-N149 PolarHBondContact O-N 3.3Å; F145-N149 PolarHBondContact O-ND2 3.18Å; F145-F151 HydrophobicContact CE1-CD2 4.01Å; F145-F151 HydrophobicContact CE1-CE2 4.01Å; F145-F151 HydrophobicContact CZ-CE2 4.08Å
146	A	97.8	Very high	98	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179.8	0	0	0	0	0	111.9	I142 L143 N144 Q148 N149 A150 F151 V153	I142-A146 WeakPolarHBondContact O-CB 3.38Å; I142-A146 PolarHBondContact O-N 2.91Å; L143-A146 PolarHBondContact O-N 2.92Å; N144-A146 PolarHBondContact O-N 3.03Å; A146-Q148 PolarHBondContact O-N 3.46Å; A146-N149 CarbonylContact O-C 3.25Å; A146-N149 PolarHBondContact O-N 2.7Å; A146-A150 PolarHBondContact O-N 3.28Å; A146-F151 HydrophobicContact CB-CB 4.16Å; A146-F151 PolarHBondContact O-N 3.24Å; A146-V153 HydrophobicContact CB-CG2 3.23Å
147	K	96.7	Very high	98	Very high	173 Å²	173	45.6 Å²	45.6	75%	0.752	23%	0.23	S	C	*	.	H	α-helix	trans	-60.8	-44	176.9	-175.1	178.6	179.8	-179.6	0	112	L143 N144 F145 N149 A150	L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 PolarHBondContact O-N 2.91Å; N144-K147 PolarHBondContact O-N 3.27Å; F145-K147 PolarHBondContact O-N 3.15Å; K147-N149 PolarHBondContact O-N 3.24Å; K147-A150 PolarHBondContact O-N 3.49Å
148	Q	97.4	Very high	97.9	Very high	158 Å²	158	40 Å²	40	74%	0.738	21%	0.205	S	C	*	.	H	α-helix	trans	-62.6	-30.9	178.5	-73.7	169.8	5.1	0	0	112.9	N144 F145 A146	N144-Q148 VanDerWaalsContact O-CG 3.26Å; N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.77Å; F145-Q148 PolarHBondContact O-N 3.02Å; A146-Q148 PolarHBondContact O-N 3.46Å
149	N	96.4	Very high	97.8	Very high	42 Å²	42	39.3 Å²	39.3	23%	0.225	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	7.4	-178.8	-63.3	-82.7	0	0	0	113.5	K116 F145 A146 K147 F151	K116-N149 WeakPolarHBondContact CD-OD1 3.34Å; K116-N149 VanDerWaalsContact CE-OD1 3.31Å; K116-N149 WeakPolarHBondContact CE-OD1 3.37Å; F145-N149 PolarHBondContact O-N 3.3Å; F145-N149 PolarHBondContact O-ND2 3.18Å; A146-N149 CarbonylContact O-C 3.25Å; A146-N149 PolarHBondContact O-N 2.7Å; K147-N149 PolarHBondContact O-N 3.24Å; N149-F151 VanDerWaalsContact C-N 3.27Å; N149-F151 HydrophobicContact CB-CD1 4.21Å; N149-F151 HydrophobicContact CB-CD2 3.63Å; N149-F151 HydrophobicContact CB-CE1 3.9Å; N149-F151 HydrophobicContact CB-CE2 3.26Å; N149-F151 HydrophobicContact CB-CG 4.09Å; N149-F151 HydrophobicContact CB-CZ 3.41Å; N149-F151 VanDerWaalsContact CB-CZ 3.41Å; N149-F151 VanDerWaalsContact O-CD1 3.31Å; N149-F151 WeakPolarHBondContact O-CD1 3.25Å; N149-F151 WeakPolarHBondContact O-CE1 3.39Å; N149-F151 PolarHBondContact O-N 2.87Å
150	A	96	Very high	97.4	Very high	79 Å²	79	39.4 Å²	39.4	65%	0.653	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.3	-176.7	0	0	0	0	0	114.4	A146 K147	A146-A150 PolarHBondContact O-N 3.28Å; K147-A150 PolarHBondContact O-N 3.49Å
151	F	96.9	Very high	96.9	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.096	22%	0.222	C	C	.	.			trans	-89.8	143.7	173	-53.7	-32.3	0	0	0	110.9	P40 F119 F145 A146 N149	P40-F151 HydrophobicContact CB-CD1 4.03Å; P40-F151 HydrophobicContact CB-CE1 4.43Å; P40-F151 HydrophobicContact CG-CD1 4.34Å; P40-F151 HydrophobicContact CG-CE1 4.48Å; F119-F151 HydrophobicContact CB-CE1 3.94Å; F119-F151 HydrophobicContact CB-CZ 3.93Å; F119-F151 AromaticContact CD2-CD1 3.91Å; F119-F151 HydrophobicContact CD2-CD1 3.91Å; F119-F151 AromaticContact CD2-CD2 3.81Å; F119-F151 HydrophobicContact CD2-CD2 3.81Å; F119-F151 AromaticContact CD2-CE1 3.72Å; F119-F151 HydrophobicContact CD2-CE1 3.72Å; F119-F151 AromaticContact CD2-CE2 3.61Å; F119-F151 HydrophobicContact CD2-CE2 3.61Å; F119-F151 AromaticContact CD2-CG 3.97Å; F119-F151 HydrophobicContact CD2-CG 3.97Å; F119-F151 AromaticContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CE2-CD1 4.4Å; F119-F151 HydrophobicContact CE2-CD2 4.01Å; F119-F151 HydrophobicContact CE2-CE2 4.24Å; F119-F151 HydrophobicContact CE2-CG 4.11Å; F119-F151 HydrophobicContact CG-CE1 4.23Å; F119-F151 HydrophobicContact CG-CZ 4.24Å; F145-F151 HydrophobicContact CE1-CD2 4.01Å; F145-F151 HydrophobicContact CE1-CE2 4.01Å; F145-F151 HydrophobicContact CZ-CE2 4.08Å; A146-F151 HydrophobicContact CB-CB 4.16Å; A146-F151 PolarHBondContact O-N 3.24Å; N149-F151 VanDerWaalsContact C-N 3.27Å; N149-F151 HydrophobicContact CB-CD1 4.21Å; N149-F151 HydrophobicContact CB-CD2 3.63Å; N149-F151 HydrophobicContact CB-CE1 3.9Å; N149-F151 HydrophobicContact CB-CE2 3.26Å; N149-F151 HydrophobicContact CB-CG 4.09Å; N149-F151 HydrophobicContact CB-CZ 3.41Å; N149-F151 VanDerWaalsContact CB-CZ 3.41Å; N149-F151 VanDerWaalsContact O-CD1 3.31Å; N149-F151 WeakPolarHBondContact O-CD1 3.25Å; N149-F151 WeakPolarHBondContact O-CE1 3.39Å; N149-F151 PolarHBondContact O-N 2.87Å
152	K	97.9	Very high	96.4	Very high	52 Å²	52	43.2 Å²	43.2	23%	0.226	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	153	167.3	-68.3	176.2	175.3	176.8	0	109.7	P40 T41 L42 D234	P40-K152 PolarHBondContact O-N 3.31Å; T41-K152 HydrophobicContact CG2-CB 4.3Å; L42-K152 PolarHBondContact N-O 3.4Å; K152-D234 WeakPolarHBondContact CD-OD2 3.47Å; K152-D234 IonicContact NZ-OD2 2.79Å; K152-D234 PolarHBondContact NZ-OD2 3.16Å
153	V	98.6	Very high	95.9	Very high	16 Å²	16	47.5 Å²	47.5	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.6	176	-176.8	0	0	0	0	109.5	L42 V44 L143 A146 F155	L42-V153 WeakPolarHBondContact O-CA 3.1Å; V44-V153 HydrophobicContact CG2-CG1 3.87Å; L143-V153 HydrophobicContact CD2-CB 4.13Å; L143-V153 HydrophobicContact CD2-CG1 4.15Å; L143-V153 HydrophobicContact CD2-CG2 4.16Å; A146-V153 HydrophobicContact CB-CG2 3.23Å; V153-F155 HydrophobicContact CG1-CD2 4.08Å; V153-F155 HydrophobicContact CG1-CE1 4.09Å; V153-F155 HydrophobicContact CG1-CE2 3.57Å; V153-F155 HydrophobicContact CG1-CZ 3.58Å
154	F	98.8	Very high	95.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.2	173.3	-173.9	-107	0	0	0	109.7	T41 L42 I43 V44 V156 S216 I218 Q237 I240 V241	T41-F154 HydrophobicContact CG2-CB 4.27Å; L42-F154 PolarHBondContact O-N 2.94Å; I43-F154 CarbonylContact C-O 3.51Å; I43-F154 VanDerWaalsContact CA-O 3.26Å; I43-F154 WeakPolarHBondContact CA-O 3.25Å; V44-F154 PolarHBondContact N-O 2.61Å; F154-V156 HydrophobicContact CD1-CG2 4.09Å; F154-V156 HydrophobicContact CE1-CG2 3.99Å; F154-S216 WeakPolarHBondContact CA-O 3.01Å; F154-I218 HydrophobicContact CE1-CG2 3.7Å; F154-I218 HydrophobicContact CZ-CB 4.1Å; F154-I218 HydrophobicContact CZ-CG2 3.76Å; F154-Q237 HydrophobicContact CB-CG 4.13Å; F154-Q237 HydrophobicContact CD2-CB 4.15Å; F154-Q237 HydrophobicContact CD2-CG 3.76Å; F154-Q237 HydrophobicContact CE2-CB 4.27Å; F154-Q237 HydrophobicContact CE2-CG 4.38Å; F154-Q237 HydrophobicContact CG-CG 3.94Å; F154-I240 HydrophobicContact CD1-CG2 4.2Å; F154-I240 HydrophobicContact CE1-CB 4.48Å; F154-I240 HydrophobicContact CE1-CG2 3.79Å; F154-V241 HydrophobicContact CE1-CG2 4.44Å; F154-V241 HydrophobicContact CE2-CG2 4.45Å; F154-V241 HydrophobicContact CZ-CG2 3.66Å
155	F	98.9	Very high	94.7	Very high	1 Å²	1	49 Å²	49	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.6	-178.5	-58.7	-90.3	0	0	0	111.9	V44 I46 R139 L143 V153 L206 L215 S216 F217 I218	V44-F155 HydrophobicContact CB-CD1 3.5Å; V44-F155 VanDerWaalsContact CB-CD1 3.5Å; V44-F155 HydrophobicContact CB-CE1 3.76Å; V44-F155 HydrophobicContact CB-CG 4.41Å; V44-F155 HydrophobicContact CG1-CD1 3.71Å; V44-F155 HydrophobicContact CG1-CE1 3.76Å; V44-F155 HydrophobicContact CG2-CD1 4.3Å; V44-F155 HydrophobicContact CG2-CE1 4.15Å; V44-F155 WeakPolarHBondContact O-CA 3.44Å; I46-F155 HydrophobicContact CD1-CB 3.86Å; I46-F155 HydrophobicContact CD1-CD1 3.54Å; I46-F155 HydrophobicContact CD1-CE1 4.39Å; I46-F155 HydrophobicContact CD1-CG 3.99Å; I46-F155 HydrophobicContact CG1-CD1 4.18Å; R139-F155 HydrophobicContact CB-CE1 4.26Å; R139-F155 HydrophobicContact CB-CZ 4.5Å; R139-F155 HydrophobicContact CG-CE1 4.19Å; L143-F155 HydrophobicContact CD1-CZ 4.19Å; L143-F155 HydrophobicContact CD2-CE2 3.98Å; L143-F155 HydrophobicContact CD2-CZ 3.85Å; L143-F155 HydrophobicContact CG-CE2 4.48Å; L143-F155 HydrophobicContact CG-CZ 3.93Å; V153-F155 HydrophobicContact CG1-CD2 4.08Å; V153-F155 HydrophobicContact CG1-CE1 4.09Å; V153-F155 HydrophobicContact CG1-CE2 3.57Å; V153-F155 HydrophobicContact CG1-CZ 3.58Å; F155-L206 HydrophobicContact CB-CD1 3.99Å; F155-L215 HydrophobicContact CD2-CB 4.37Å; F155-L215 HydrophobicContact CD2-CD1 4.33Å; F155-L215 HydrophobicContact CE2-CB 4.29Å; F155-L215 HydrophobicContact CE2-CD1 3.8Å; F155-L215 HydrophobicContact CE2-CD2 4.4Å; F155-L215 HydrophobicContact CE2-CG 4.4Å; F155-L215 HydrophobicContact CZ-CD1 4.38Å; F155-S216 PolarHBondContact N-O 3.23Å; F155-F217 HydrophobicContact CB-CB 3.69Å; F155-F217 CarbonylContact O-C 3.39Å; F155-F217 WeakPolarHBondContact O-CA 3.07Å; F155-F217 WeakPolarHBondContact O-CB 3.49Å; F155-I218 PolarHBondContact O-N 3.43Å
156	V	98.6	Very high	94.1	Very high	2 Å²	2	49 Å²	49	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	102	172	-179.6	0	0	0	0	108	I43 V44 M45 I46 V56 F154 I218 L244	I43-V156 HydrophobicContact CG2-CG2 3.77Å; V44-V156 PolarHBondContact O-N 3.16Å; M45-V156 CarbonylContact C-O 3.53Å; M45-V156 WeakPolarHBondContact CA-O 3.29Å; M45-V156 HydrophobicContact CE-CB 3.98Å; M45-V156 HydrophobicContact CE-CG1 3.75Å; M45-V156 HydrophobicContact SD-CB 3.84Å; M45-V156 HydrophobicContact SD-CG1 4.24Å; M45-V156 HydrophobicContact SD-CG2 4.48Å; I46-V156 PolarHBondContact N-O 3.31Å; V56-V156 HydrophobicContact CG1-CG1 4.36Å; F154-V156 HydrophobicContact CD1-CG2 4.09Å; F154-V156 HydrophobicContact CE1-CG2 3.99Å; V156-I218 WeakPolarHBondContact CA-O 3.23Å; V156-I218 HydrophobicContact CB-CG2 4.28Å; V156-I218 HydrophobicContact CG1-CG2 4.19Å; V156-I218 HydrophobicContact CG2-CG2 3.85Å; V156-L244 HydrophobicContact CG1-CD1 3.92Å; V156-L244 HydrophobicContact CG2-CD1 4.01Å
157	E	98.6	Very high	93.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.1	178.9	-174.5	173.1	-146.5	0	0	110.6	I46 V159 Y203 P205 L206 I218 K219 V220	I46-E157 HydrophobicContact CB-CB 3.91Å; I46-E157 HydrophobicContact CB-CG 3.88Å; I46-E157 HydrophobicContact CG2-CB 4.36Å; I46-E157 HydrophobicContact CG2-CG 3.81Å; I46-E157 WeakPolarHBondContact O-CA 3.49Å; E157-V159 HydrophobicContact CG-CG2 3.9Å; E157-Y203 PolarHBondContact OE1-OH 2.71Å; E157-P205 WeakPolarHBondContact OE1-CA 3.39Å; E157-L206 HydrophobicContact CB-CD1 4.07Å; E157-L206 PolarHBondContact OE1-N 3.31Å; E157-L206 VanDerWaalsContact OE2-CB 3.29Å; E157-L206 WeakPolarHBondContact OE2-CB 3.22Å; E157-L206 WeakPolarHBondContact OE2-CG 3.38Å; E157-L206 PolarHBondContact OE2-N 3.34Å; E157-L206 VanDerWaalsContact OE2-N 3.17Å; E157-I218 PolarHBondContact N-O 3.06Å; E157-K219 HydrophobicContact CB-CG 4.18Å; E157-K219 CarbonylContact O-C 3.59Å; E157-K219 WeakPolarHBondContact O-CA 3.27Å; E157-K219 WeakPolarHBondContact OE2-CE 3.49Å; E157-K219 WeakPolarHBondContact OE2-CG 3.45Å; E157-K219 IonicContact OE2-NZ 3.52Å; E157-K219 PolarHBondContact OE2-NZ 3.43Å; E157-V220 PolarHBondContact O-N 2.94Å
158	S	95.9	Very high	93	Very high	11 Å²	11	44.9 Å²	44.9	8%	0.077	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.7	173.7	-174.1	0	0	0	0	110.3	I46 R51	I46-S158 PolarHBondContact O-N 3.07Å; R51-S158 VanDerWaalsContact O-CB 3.24Å; R51-S158 WeakPolarHBondContact O-CB 3.47Å; R51-S158 PolarHBondContact O-OG 3.4Å
159	V	95.2	Very high	92.3	Very high	25 Å²	25	38.7 Å²	38.7	15%	0.152	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.5	179.1	-173	0	0	0	0	108.2	E157 V220 I221 N222	E157-V159 HydrophobicContact CG-CG2 3.9Å; V159-V220 PolarHBondContact N-O 3.15Å; V159-I221 HydrophobicContact CB-CG1 4.36Å; V159-I221 CarbonylContact O-C 3.54Å; V159-I221 WeakPolarHBondContact O-CA 3.23Å; V159-N222 PolarHBondContact O-N 3.26Å
160	C	91.1	Very high	91.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.02	23%	0.225	C	C	.	.			trans	-147.9	120.7	175.8	-178.9	0	0	0	0	108.5	R51 V165	R51-C160 HydrophobicContact CG-CB 4.15Å; R51-C160 PolarHBondContact NE-O 3.04Å; C160-V165 VanDerWaalsContact SG-CG1 3.6Å
161	D	88.6	Confident	91	Very high	121 Å²	121	37.5 Å²	37.5	65%	0.647	22%	0.217	S	C	*	.			trans	-111.8	0.3	-178.2	-54.5	-37.5	0	0	0	111.6	P163 N222	D161-P163 WeakPolarHBondContact O-CD 3.47Å; D161-N222 PolarHBondContact N-OD1 2.91Å
162	D	87.9	Confident	90.1	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	24%	0.237	S	C	.	.			trans	-73.8	115	175.9	-175.4	-39.8	0	0	0	110.2	D164 V165 I166	D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3Å; D162-D164 WeakPolarHBondContact OD1-CB 3.46Å; D162-D164 PolarHBondContact OD1-N 3.28Å; D162-V165 HydrophobicContact CB-CB 4.07Å; D162-V165 HydrophobicContact CB-CG2 3.95Å; D162-V165 PolarHBondContact O-N 3.43Å; D162-V165 PolarHBondContact OD1-N 2.82Å; D162-V165 VanDerWaalsContact OD1-N 3.17Å; D162-I166 WeakPolarHBondContact O-CD1 3.05Å; D162-I166 WeakPolarHBondContact O-CG1 3.24Å; D162-I166 PolarHBondContact O-N 3.04Å; D162-I166 VanDerWaalsContact O-N 3.09Å
163	P	86.8	Confident	89	Confident	91 Å²	91	40 Å²	40	59%	0.591	23%	0.231	S	C	*	.	H	α-helix	trans	-66.3	-31.9	-176.2	27.5	-34	0	0	0	113	D161 I166 A167	D161-P163 WeakPolarHBondContact O-CD 3.47Å; P163-I166 PolarHBondContact O-N 3.48Å; P163-A167 WeakPolarHBondContact O-CB 3.5Å; P163-A167 PolarHBondContact O-N 3.01Å
164	D	87	Confident	87.9	Confident	126 Å²	126	41 Å²	41	67%	0.674	24%	0.235	S	C	*	.	H	α-helix	trans	-71.3	-42	-178.2	-65	-28.4	0	0	0	110.2	D162 I166 A167 A168	D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3Å; D162-D164 WeakPolarHBondContact OD1-CB 3.46Å; D162-D164 PolarHBondContact OD1-N 3.28Å; D164-I166 VanDerWaalsContact C-N 3.35Å; D164-A167 PolarHBondContact O-N 3.33Å; D164-A168 VanDerWaalsContact O-CB 3.31Å; D164-A168 WeakPolarHBondContact O-CB 3.41Å; D164-A168 PolarHBondContact O-N 2.62Å
165	V	85.3	Confident	86.4	Confident	35 Å²	35	42.5 Å²	42.5	21%	0.212	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-43.2	172.9	173.6	0	0	0	0	111.1	C160 D162 A168 N169 V223	C160-V165 VanDerWaalsContact SG-CG1 3.6Å; D162-V165 HydrophobicContact CB-CB 4.07Å; D162-V165 HydrophobicContact CB-CG2 3.95Å; D162-V165 PolarHBondContact O-N 3.43Å; D162-V165 PolarHBondContact OD1-N 2.82Å; D162-V165 VanDerWaalsContact OD1-N 3.17Å; V165-A168 PolarHBondContact O-N 3.39Å; V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 2.84Å; V165-N169 PolarHBondContact O-ND2 3.34Å; V165-V223 HydrophobicContact CG1-CG2 3.56Å; V165-V223 HydrophobicContact CG2-CG2 4.35Å
166	I	86.4	Confident	85	Confident	18 Å²	18	47 Å²	47	9%	0.092	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-46.5	178.6	-67.6	160	0	0	0	110.2	R51 D162 P163 D164 N169 I170 I196	R51-I166 VanDerWaalsContact NH2-CD1 3.28Å; D162-I166 WeakPolarHBondContact O-CD1 3.05Å; D162-I166 WeakPolarHBondContact O-CG1 3.24Å; D162-I166 PolarHBondContact O-N 3.04Å; D162-I166 VanDerWaalsContact O-N 3.09Å; P163-I166 PolarHBondContact O-N 3.48Å; D164-I166 VanDerWaalsContact C-N 3.35Å; I166-N169 PolarHBondContact O-N 3.29Å; I166-I170 HydrophobicContact CG2-CD1 3.85Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.49Å; I166-I170 PolarHBondContact O-N 3.14Å; I166-I196 HydrophobicContact CG2-CD1 4.29Å
167	A	85.5	Confident	83.9	Confident	37 Å²	37	47.6 Å²	47.6	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-47.2	178.1	0	0	0	0	0	111.5	P163 D164 N169 I170 L171	P163-A167 WeakPolarHBondContact O-CB 3.5Å; P163-A167 PolarHBondContact O-N 3.01Å; D164-A167 PolarHBondContact O-N 3.33Å; A167-N169 VanDerWaalsContact C-N 3.35Å; A167-N169 PolarHBondContact O-N 3.49Å; A167-I170 PolarHBondContact O-N 2.95Å; A167-I170 VanDerWaalsContact O-N 3.17Å; A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 2.74Å
168	A	84.3	Confident	82.9	Confident	52 Å²	52	52.4 Å²	52.4	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-45.9	176.1	0	0	0	0	0	111.8	D164 V165 I170 L171 E172	D164-A168 VanDerWaalsContact O-CB 3.31Å; D164-A168 WeakPolarHBondContact O-CB 3.41Å; D164-A168 PolarHBondContact O-N 2.62Å; V165-A168 PolarHBondContact O-N 3.39Å; A168-I170 VanDerWaalsContact C-N 3.34Å; A168-I170 PolarHBondContact O-N 2.81Å; A168-L171 PolarHBondContact O-N 2.9Å; A168-E172 WeakPolarHBondContact O-CB 3.13Å; A168-E172 PolarHBondContact O-N 2.93Å
169	N	84.3	Confident	81.9	Confident	28 Å²	28	52.2 Å²	52.2	15%	0.15	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.9	-73.6	-23.4	0	0	0	112.5	A50 V165 I166 A167 V173	A50-N169 HydrophobicContact CB-CB 4.23Å; A50-N169 WeakPolarHBondContact O-CB 3.33Å; A50-N169 PolarHBondContact O-ND2 3.44Å; V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 2.84Å; V165-N169 PolarHBondContact O-ND2 3.34Å; I166-N169 PolarHBondContact O-N 3.29Å; A167-N169 VanDerWaalsContact C-N 3.35Å; A167-N169 PolarHBondContact O-N 3.49Å; N169-V173 WeakPolarHBondContact O-CG2 3.14Å; N169-V173 PolarHBondContact O-N 3.33Å
170	I	83.9	Confident	81.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-45.8	177.8	-65.2	165.5	0	0	0	109.9	A50 I166 A167 A168 K174 V175 M189 F192 L193 I196	A50-I170 HydrophobicContact CB-CD1 4.49Å; A50-I170 HydrophobicContact CB-CG1 3.7Å; I166-I170 HydrophobicContact CG2-CD1 3.85Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.49Å; I166-I170 PolarHBondContact O-N 3.14Å; A167-I170 PolarHBondContact O-N 2.95Å; A167-I170 VanDerWaalsContact O-N 3.17Å; A168-I170 VanDerWaalsContact C-N 3.34Å; A168-I170 PolarHBondContact O-N 2.81Å; I170-K174 HydrophobicContact CG2-CB 4.1Å; I170-K174 WeakPolarHBondContact O-CA 3.28Å; I170-K174 VanDerWaalsContact O-CB 3.28Å; I170-K174 WeakPolarHBondContact O-CB 3.43Å; I170-K174 PolarHBondContact O-N 3.25Å; I170-V175 PolarHBondContact O-N 3.34Å; I170-M189 HydrophobicContact CB-CE 3.79Å; I170-M189 HydrophobicContact CB-SD 3.92Å; I170-M189 HydrophobicContact CD1-SD 3.71Å; I170-M189 HydrophobicContact CG1-SD 4.42Å; I170-M189 HydrophobicContact CG2-CE 3.52Å; I170-M189 HydrophobicContact CG2-SD 3.52Å; I170-M189 VanDerWaalsContact CG2-SD 3.52Å; I170-F192 HydrophobicContact CD1-CD1 3.81Å; I170-F192 HydrophobicContact CD1-CE1 4.47Å; I170-F192 HydrophobicContact CG1-CD1 3.69Å; I170-F192 HydrophobicContact CG1-CE1 4.05Å; I170-F192 HydrophobicContact CG2-CB 4.34Å; I170-F192 HydrophobicContact CG2-CD1 4.36Å; I170-F192 HydrophobicContact CG2-CG 4.4Å; I170-L193 HydrophobicContact CD1-CD2 4.06Å; I170-I196 HydrophobicContact CD1-CD1 4.1Å
171	L	81.5	Confident	80	Confident	95 Å²	95	57.6 Å²	57.6	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-43.1	179.4	-69.2	174.3	0	0	0	112.5	A167 A168 V175 M189	A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 2.74Å; A168-L171 PolarHBondContact O-N 2.9Å; L171-V175 HydrophobicContact CD2-CG2 4.16Å; L171-M189 HydrophobicContact CD2-CE 3.66Å; L171-M189 HydrophobicContact CG-CE 3.73Å
172	E	76.6	Confident	78.7	Confident	108 Å²	108	58.2 Å²	58.2	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-69.9	-43.7	-175.3	-169.1	-174.7	173.1	0	0	112.6	A168 A429	A168-E172 WeakPolarHBondContact O-CB 3.13Å; A168-E172 PolarHBondContact O-N 2.93Å; E172-A429 HydrophobicContact CG-CB 4.42Å; E172-A429 WeakPolarHBondContact OE1-CB 3.47Å; E172-A429 PolarHBondContact OE1-N 2.73Å
173	V	75.4	Confident	77.3	Confident	19 Å²	19	67 Å²	67	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-119.7	-15.2	-169.4	-76	0	0	0	0	116.3	N169 A429 Y430	N169-V173 WeakPolarHBondContact O-CG2 3.14Å; N169-V173 PolarHBondContact O-N 3.33Å; V173-A429 HydrophobicContact CG1-CB 3.12Å; V173-Y430 HydrophobicContact CB-CE2 4.09Å; V173-Y430 WeakPolarHBondContact CB-OH 3.41Å; V173-Y430 HydrophobicContact CG1-CD2 4.35Å; V173-Y430 HydrophobicContact CG1-CE1 4.45Å; V173-Y430 HydrophobicContact CG1-CE2 3.58Å
174	K	75.5	Confident	76.7	Confident	38 Å²	38	66.1 Å²	66.1	17%	0.165	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-31.3	-175.4	-56.5	-55.6	177.6	-167	0	113.1	I170 S176 S177 Y180 F192	I170-K174 HydrophobicContact CG2-CB 4.1Å; I170-K174 WeakPolarHBondContact O-CA 3.28Å; I170-K174 VanDerWaalsContact O-CB 3.28Å; I170-K174 WeakPolarHBondContact O-CB 3.43Å; I170-K174 PolarHBondContact O-N 3.25Å; K174-S176 PolarHBondContact O-N 3.02Å; K174-S177 WeakPolarHBondContact O-CB 3.49Å; K174-S177 PolarHBondContact O-N 3.48Å; K174-S177 VanDerWaalsContact O-N 3.09Å; K174-Y180 WeakPolarHBondContact O-CD2 3.46Å; K174-F192 HydrophobicContact CB-CD2 4.16Å; K174-F192 HydrophobicContact CB-CE2 4.18Å; K174-F192 HydrophobicContact CD-CE2 3.72Å; K174-F192 HydrophobicContact CD-CZ 3.9Å; K174-F192 HydrophobicContact CG-CD2 4.13Å; K174-F192 HydrophobicContact CG-CE1 4.23Å; K174-F192 HydrophobicContact CG-CE2 3.68Å; K174-F192 HydrophobicContact CG-CZ 3.73Å
175	V	68.3	Low	76.2	Confident	30 Å²	30	68.4 Å²	68.4	18%	0.182	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.4	171.9	175.7	0	0	0	0	112	I170 L171 R185	I170-V175 PolarHBondContact O-N 3.34Å; L171-V175 HydrophobicContact CD2-CG2 4.16Å; V175-R185 HydrophobicContact CG1-CG 3.82Å
176	S	67.9	Low	76	Confident	96 Å²	96	73.8 Å²	73.8	67%	0.671	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	14.4	176.2	69.6	0	0	0	0	113.6	K174	K174-S176 PolarHBondContact O-N 3.02Å
177	S	76.4	Confident	75.9	Confident	14 Å²	14	76.6 Å²	76.6	10%	0.098	40%	0.397	C	S	.	.	S	Bend	trans	-77.6	144	-177.6	172.9	0	0	0	0	110.9	K174 D179 Y180	K174-S177 WeakPolarHBondContact O-CB 3.49Å; K174-S177 PolarHBondContact O-N 3.48Å; K174-S177 VanDerWaalsContact O-N 3.09Å; S177-D179 PolarHBondContact O-N 3.31Å; S177-D179 PolarHBondContact OG-N 2.77Å; S177-Y180 PolarHBondContact O-N 3.2Å
178	P	76.6	Confident	75.8	Confident	102 Å²	102	75 Å²	75	66%	0.662	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	172.8	-23	32.9	0	0	0	114.5	Y180	P178-Y180 PolarHBondContact O-N 2.83Å
179	D	76.1	Confident	75.8	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.037	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.6	172	-74.9	18.8	0	0	0	111.9	R80 R81 Y87 S177 R195	R80-D179 IonicContact CZ-OD1 3.78Å; R80-D179 IonicContact CZ-OD2 2.67Å; R80-D179 IonicContact NH1-OD1 3.3Å; R80-D179 PolarHBondContact NH1-OD1 3.12Å; R80-D179 IonicContact NH1-OD2 3.58Å; R80-D179 PolarHBondContact NH1-OD2 2.93Å; R80-D179 IonicContact NH2-OD1 3.21Å; R80-D179 PolarHBondContact NH2-OD1 2.7Å; R80-D179 IonicContact NH2-OD2 3.21Å; R80-D179 PolarHBondContact NH2-OD2 3.29Å; R81-D179 WeakPolarHBondContact CD-OD1 3.47Å; R81-D179 WeakPolarHBondContact CG-OD1 3.25Å; R81-D179 IonicContact CZ-OD1 3.18Å; R81-D179 IonicContact NE-OD1 3.88Å; R81-D179 IonicContact NH1-OD1 3.77Å; R81-D179 PolarHBondContact NH1-OD1 2.97Å; Y87-D179 WeakPolarHBondContact CD1-O 3.17Å; S177-D179 PolarHBondContact O-N 3.31Å; S177-D179 PolarHBondContact OG-N 2.77Å; D179-R195 IonicContact OD2-CZ 2.67Å; D179-R195 IonicContact OD2-NH1 2.98Å; D179-R195 PolarHBondContact OD2-NH1 2.57Å; D179-R195 IonicContact OD2-NH2 2.85Å
180	Y	78.3	Confident	76	Confident	22 Å²	22	77.9 Å²	77.9	9%	0.086	39%	0.388	C	S	.	.			trans	-124.9	90.1	-175.3	-64.2	-79.1	0	0	0	110.6	Y87 K174 S177 P178 E182 V188 D191 F192	Y87-Y180 HydrophobicContact CD1-CE1 4.37Å; Y87-Y180 HydrophobicContact CE1-CD1 4.29Å; Y87-Y180 AromaticContact CE1-CE1 3.63Å; Y87-Y180 HydrophobicContact CE1-CE1 3.63Å; Y87-Y180 AromaticContact CE1-CZ 3.85Å; Y87-Y180 PolarHBondContact OH-OH 3.36Å; K174-Y180 WeakPolarHBondContact O-CD2 3.46Å; S177-Y180 PolarHBondContact O-N 3.2Å; P178-Y180 PolarHBondContact O-N 2.83Å; Y180-E182 VanDerWaalsContact C-N 3.31Å; Y180-V188 HydrophobicContact CD1-CB 4.1Å; Y180-V188 HydrophobicContact CD1-CG1 3.73Å; Y180-V188 HydrophobicContact CD1-CG2 3.7Å; Y180-V188 HydrophobicContact CD2-CG1 3.72Å; Y180-V188 HydrophobicContact CE1-CG1 4.04Å; Y180-V188 HydrophobicContact CE2-CG1 4.07Å; Y180-V188 HydrophobicContact CG-CB 4.28Å; Y180-V188 HydrophobicContact CG-CG1 3.55Å; Y180-V188 HydrophobicContact CG-CG2 3.86Å; Y180-D191 HydrophobicContact CE1-CB 4.15Å; Y180-D191 WeakPolarHBondContact CE1-OD2 3.26Å; Y180-D191 PolarHBondContact OH-OD2 3.45Å; Y180-F192 AromaticContact CE2-CD2 3.77Å; Y180-F192 HydrophobicContact CE2-CD2 3.77Å; Y180-F192 HydrophobicContact CE2-CE2 4.43Å; Y180-F192 AromaticContact CZ-CD2 3.96Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.49Å
181	P	67.9	Low	76.2	Confident	118 Å²	118	79 Å²	79	77%	0.766	39%	0.394	S	S	*	.			trans	-72.7	-24.5	177.4	26.8	-31.7	0	0	0	112.8
182	E	61	Low	76.6	Confident	134 Å²	134	74.5 Å²	74.5	63%	0.626	37%	0.37	S	S	*	.	S	Bend	trans	-76.2	137.5	175.8	-72.5	-168.9	164.4	0	0	112.2	Y180	Y180-E182 VanDerWaalsContact C-N 3.31Å
183	R	58.4	Low	77.3	Confident	236 Å²	236	73.1 Å²	73.1	89%	0.891	37%	0.366	S	S	*	.			trans	-87.3	-0.2	-175.4	-64.8	-174.8	179.4	-175.6	0.7	114.3	R185	R183-R185 PolarHBondContact O-N 3.35Å; R183-R185 VanDerWaalsContact O-N 3.1Å
184	N	74.5	Confident	78.1	Confident	74 Å²	74	76 Å²	76	40%	0.396	38%	0.377	S	S	.	.			trans	-77.3	102.8	179.7	-168	-8.2	0	0	0	110.3	E186 N187 V188	N184-E186 PolarHBondContact O-N 3.14Å; N184-E186 PolarHBondContact OD1-N 3.03Å; N184-N187 HydrophobicContact CB-CB 4.36Å; N184-N187 PolarHBondContact O-N 3.2Å; N184-V188 WeakPolarHBondContact O-CG2 3.21Å; N184-V188 PolarHBondContact O-N 3.25Å
185	R	76.6	Confident	78.9	Confident	174 Å²	174	75.5 Å²	75.5	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-57.8	-34.8	-175.5	-59.4	-173	176	170.4	-1.4	112.7	V175 R183 M189	V175-R185 HydrophobicContact CG1-CG 3.82Å; R183-R185 PolarHBondContact O-N 3.35Å; R183-R185 VanDerWaalsContact O-N 3.1Å; R185-M189 WeakPolarHBondContact O-CB 3.05Å; R185-M189 PolarHBondContact O-N 2.92Å
186	E	81.6	Confident	80.2	Confident	147 Å²	147	74.2 Å²	74.2	69%	0.687	37%	0.366	S	S	*	.	H	α-helix	trans	-68.1	-48.6	-177.6	-66.5	173.8	-176.8	0	0	110.9	N184 V188 M189 E190	N184-E186 PolarHBondContact O-N 3.14Å; N184-E186 PolarHBondContact OD1-N 3.03Å; E186-V188 VanDerWaalsContact C-N 3.33Å; E186-V188 PolarHBondContact O-N 2.71Å; E186-M189 WeakPolarHBondContact O-CB 3.47Å; E186-M189 PolarHBondContact O-N 2.69Å; E186-E190 PolarHBondContact O-N 3.04Å
187	N	82.6	Confident	81.4	Confident	78 Å²	78	74.2 Å²	74.2	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.6	-64.2	2.3	0	0	0	111.8	N184 E190 D191	N184-N187 HydrophobicContact CB-CB 4.36Å; N184-N187 PolarHBondContact O-N 3.2Å; N187-E190 PolarHBondContact O-N 2.86Å; N187-D191 WeakPolarHBondContact O-CB 3.44Å; N187-D191 PolarHBondContact O-N 3.05Å
188	V	84.1	Confident	82.3	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-42.5	176.8	174.1	0	0	0	0	111.1	Y180 N184 E186 F192	Y180-V188 HydrophobicContact CD1-CB 4.1Å; Y180-V188 HydrophobicContact CD1-CG1 3.73Å; Y180-V188 HydrophobicContact CD1-CG2 3.7Å; Y180-V188 HydrophobicContact CD2-CG1 3.72Å; Y180-V188 HydrophobicContact CE1-CG1 4.04Å; Y180-V188 HydrophobicContact CE2-CG1 4.07Å; Y180-V188 HydrophobicContact CG-CB 4.28Å; Y180-V188 HydrophobicContact CG-CG1 3.55Å; Y180-V188 HydrophobicContact CG-CG2 3.86Å; N184-V188 WeakPolarHBondContact O-CG2 3.21Å; N184-V188 PolarHBondContact O-N 3.25Å; E186-V188 VanDerWaalsContact C-N 3.33Å; E186-V188 PolarHBondContact O-N 2.71Å; V188-F192 VanDerWaalsContact O-CB 3.23Å; V188-F192 WeakPolarHBondContact O-CB 3.16Å; V188-F192 PolarHBondContact O-N 3.46Å
189	M	84.7	Confident	83.2	Confident	36 Å²	36	70.3 Å²	70.3	18%	0.177	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-48.8	176.9	-178.4	64.2	69.5	0	0	110.9	I170 L171 R185 E186 F192 L193	I170-M189 HydrophobicContact CB-CE 3.79Å; I170-M189 HydrophobicContact CB-SD 3.92Å; I170-M189 HydrophobicContact CD1-SD 3.71Å; I170-M189 HydrophobicContact CG1-SD 4.42Å; I170-M189 HydrophobicContact CG2-CE 3.52Å; I170-M189 HydrophobicContact CG2-SD 3.52Å; I170-M189 VanDerWaalsContact CG2-SD 3.52Å; L171-M189 HydrophobicContact CD2-CE 3.66Å; L171-M189 HydrophobicContact CG-CE 3.73Å; R185-M189 WeakPolarHBondContact O-CB 3.05Å; R185-M189 PolarHBondContact O-N 2.92Å; E186-M189 WeakPolarHBondContact O-CB 3.47Å; E186-M189 PolarHBondContact O-N 2.69Å; M189-F192 PolarHBondContact O-N 2.83Å; M189-L193 HydrophobicContact CG-CD1 4.09Å; M189-L193 VanDerWaalsContact O-CG 3.32Å; M189-L193 WeakPolarHBondContact O-CG 3.08Å; M189-L193 PolarHBondContact O-N 2.87Å; M189-L193 HydrophobicContact SD-CD1 4.31Å; M189-L193 HydrophobicContact SD-CG 4.3Å
190	E	87.4	Confident	84.1	Confident	103 Å²	103	74.7 Å²	74.7	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-48.4	-179.1	-167.8	-170.5	163.2	0	0	112	E186 N187 F192 L193 K194	E186-E190 PolarHBondContact O-N 3.04Å; N187-E190 PolarHBondContact O-N 2.86Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 3.23Å; E190-L193 PolarHBondContact O-N 3.42Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 3.5Å; E190-K194 VanDerWaalsContact O-N 3.07Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 3.48Å; E190-K194 PolarHBondContact OE1-NZ 3.48Å
191	D	89.3	Confident	85	Confident	23 Å²	23	78.4 Å²	78.4	12%	0.123	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-43.3	176.1	179.8	79.1	0	0	0	111.5	Y87 S89 Y90 Y180 N187 L193 K194 R195	Y87-D191 WeakPolarHBondContact CE1-OD2 3.41Å; Y87-D191 PolarHBondContact OH-OD2 3.3Å; S89-D191 WeakPolarHBondContact CA-OD1 3.26Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.25Å; Y90-D191 PolarHBondContact N-OD1 3.26Å; Y180-D191 HydrophobicContact CE1-CB 4.15Å; Y180-D191 WeakPolarHBondContact CE1-OD2 3.26Å; Y180-D191 PolarHBondContact OH-OD2 3.45Å; N187-D191 WeakPolarHBondContact O-CB 3.44Å; N187-D191 PolarHBondContact O-N 3.05Å; D191-L193 PolarHBondContact O-N 2.8Å; D191-K194 PolarHBondContact O-N 2.92Å; D191-R195 WeakPolarHBondContact O-CB 3.44Å; D191-R195 PolarHBondContact O-N 3.07Å
192	F	89.4	Confident	86.4	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.009	35%	0.349	C	S	.	.	H	α-helix	trans	-69	-34.6	-178.3	-158.1	-85.9	0	0	0	112.6	P49 A50 I170 K174 Y180 V188 M189 E190 R195 I196	P49-F192 HydrophobicContact CB-CE1 3.73Å; P49-F192 HydrophobicContact CB-CZ 3.62Å; A50-F192 HydrophobicContact CB-CD1 4.46Å; A50-F192 HydrophobicContact CB-CE1 3.58Å; A50-F192 HydrophobicContact CB-CZ 4.25Å; I170-F192 HydrophobicContact CD1-CD1 3.81Å; I170-F192 HydrophobicContact CD1-CE1 4.47Å; I170-F192 HydrophobicContact CG1-CD1 3.69Å; I170-F192 HydrophobicContact CG1-CE1 4.05Å; I170-F192 HydrophobicContact CG2-CB 4.34Å; I170-F192 HydrophobicContact CG2-CD1 4.36Å; I170-F192 HydrophobicContact CG2-CG 4.4Å; K174-F192 HydrophobicContact CB-CD2 4.16Å; K174-F192 HydrophobicContact CB-CE2 4.18Å; K174-F192 HydrophobicContact CD-CE2 3.72Å; K174-F192 HydrophobicContact CD-CZ 3.9Å; K174-F192 HydrophobicContact CG-CD2 4.13Å; K174-F192 HydrophobicContact CG-CE1 4.23Å; K174-F192 HydrophobicContact CG-CE2 3.68Å; K174-F192 HydrophobicContact CG-CZ 3.73Å; Y180-F192 AromaticContact CE2-CD2 3.77Å; Y180-F192 HydrophobicContact CE2-CD2 3.77Å; Y180-F192 HydrophobicContact CE2-CE2 4.43Å; Y180-F192 AromaticContact CZ-CD2 3.96Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.49Å; V188-F192 VanDerWaalsContact O-CB 3.23Å; V188-F192 WeakPolarHBondContact O-CB 3.16Å; V188-F192 PolarHBondContact O-N 3.46Å; M189-F192 PolarHBondContact O-N 2.83Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 3.23Å; F192-R195 WeakPolarHBondContact O-CB 3.44Å; F192-R195 PolarHBondContact O-N 3.11Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.19Å; F192-I196 HydrophobicContact CE1-CD1 3.88Å; F192-I196 HydrophobicContact CE1-CG1 4.09Å; F192-I196 WeakPolarHBondContact O-CG1 3.24Å; F192-I196 PolarHBondContact O-N 3.27Å
193	L	90.5	Very high	88.1	Confident	79 Å²	79	70.8 Å²	70.8	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-46.9	172.5	-72.1	172.9	0	0	0	110.9	I170 M189 E190 D191 R195 I196 E197	I170-L193 HydrophobicContact CD1-CD2 4.06Å; M189-L193 HydrophobicContact CG-CD1 4.09Å; M189-L193 VanDerWaalsContact O-CG 3.32Å; M189-L193 WeakPolarHBondContact O-CG 3.08Å; M189-L193 PolarHBondContact O-N 2.87Å; M189-L193 HydrophobicContact SD-CD1 4.31Å; M189-L193 HydrophobicContact SD-CG 4.3Å; E190-L193 PolarHBondContact O-N 3.42Å; D191-L193 PolarHBondContact O-N 2.8Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 2.85Å; L193-I196 HydrophobicContact CD2-CD1 4.4Å; L193-I196 WeakPolarHBondContact O-CA 3.49Å; L193-I196 WeakPolarHBondContact O-CB 3.31Å; L193-I196 PolarHBondContact O-N 3.12Å; L193-E197 PolarHBondContact O-N 2.78Å
194	K	93.1	Very high	90	Very high	79 Å²	79	63.3 Å²	63.3	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-37.7	174.5	-68.6	176.2	-173.5	167.2	0	112.2	Y90 E190 D191 I196 E197 C198	Y90-K194 HydrophobicContact CD1-CB 3.8Å; Y90-K194 HydrophobicContact CD1-CD 3.83Å; Y90-K194 HydrophobicContact CD1-CG 4.47Å; Y90-K194 HydrophobicContact CD2-CB 3.71Å; Y90-K194 HydrophobicContact CE1-CB 4.2Å; Y90-K194 HydrophobicContact CE1-CD 3.5Å; Y90-K194 HydrophobicContact CE1-CG 4.47Å; Y90-K194 HydrophobicContact CE2-CB 4.07Å; Y90-K194 HydrophobicContact CE2-CD 4.36Å; Y90-K194 HydrophobicContact CG-CB 3.56Å; Y90-K194 HydrophobicContact CG-CD 4.42Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 3.5Å; E190-K194 VanDerWaalsContact O-N 3.07Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.23Å; E190-K194 IonicContact OE1-NZ 3.48Å; E190-K194 PolarHBondContact OE1-NZ 3.48Å; D191-K194 PolarHBondContact O-N 2.92Å; K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 3.1Å; K194-E197 PolarHBondContact O-N 2.68Å; K194-C198 PolarHBondContact O-N 2.85Å; K194-C198 PolarHBondContact O-SG 3.1Å
195	R	93.3	Very high	91.2	Very high	28 Å²	28	62.5 Å²	62.5	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-41.4	171.9	173.9	179.9	-178.7	173	3.2	111.9	F93 D179 D191 F192 L193 C198 Y199	F93-R195 HydrophobicContact CB-CG 4.27Å; F93-R195 HydrophobicContact CD2-CB 4.27Å; F93-R195 VanDerWaalsContact CD2-CD 3.46Å; F93-R195 HydrophobicContact CD2-CG 3.48Å; F93-R195 VanDerWaalsContact CD2-CG 3.48Å; F93-R195 HydrophobicContact CE2-CG 3.97Å; F93-R195 HydrophobicContact CG-CG 3.97Å; D179-R195 IonicContact OD2-CZ 2.67Å; D179-R195 IonicContact OD2-NH1 2.98Å; D179-R195 PolarHBondContact OD2-NH1 2.57Å; D179-R195 IonicContact OD2-NH2 2.85Å; D191-R195 WeakPolarHBondContact O-CB 3.44Å; D191-R195 PolarHBondContact O-N 3.07Å; F192-R195 WeakPolarHBondContact O-CB 3.44Å; F192-R195 PolarHBondContact O-N 3.11Å; L193-R195 VanDerWaalsContact C-N 3.27Å; L193-R195 PolarHBondContact O-N 2.85Å; R195-C198 WeakPolarHBondContact O-CB 3.35Å; R195-C198 PolarHBondContact O-N 2.98Å; R195-Y199 HydrophobicContact CG-CE2 4.28Å; R195-Y199 VanDerWaalsContact O-CD2 3.28Å; R195-Y199 WeakPolarHBondContact O-CD2 3.39Å
196	I	93.6	Very high	92.2	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-45	175.4	-71.5	160	0	0	0	110.4	P49 I166 I170 F192 L193 K194 C198 Y199 K200	P49-I196 HydrophobicContact CB-CG1 3.95Å; P49-I196 HydrophobicContact CG-CG1 4.26Å; I166-I196 HydrophobicContact CG2-CD1 4.29Å; I170-I196 HydrophobicContact CD1-CD1 4.1Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.19Å; F192-I196 HydrophobicContact CE1-CD1 3.88Å; F192-I196 HydrophobicContact CE1-CG1 4.09Å; F192-I196 WeakPolarHBondContact O-CG1 3.24Å; F192-I196 PolarHBondContact O-N 3.27Å; L193-I196 HydrophobicContact CD2-CD1 4.4Å; L193-I196 WeakPolarHBondContact O-CA 3.49Å; L193-I196 WeakPolarHBondContact O-CB 3.31Å; L193-I196 PolarHBondContact O-N 3.12Å; K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 3.1Å; I196-C198 VanDerWaalsContact C-N 3.28Å; I196-C198 PolarHBondContact O-N 3.3Å; I196-Y199 PolarHBondContact O-N 3.48Å; I196-K200 HydrophobicContact CG2-CG 4.47Å; I196-K200 PolarHBondContact O-N 3.17Å; I196-K200 VanDerWaalsContact O-N 3.09Å
197	E	94.8	Very high	93	Very high	95 Å²	95	49.8 Å²	49.8	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-39.4	178.2	-64.1	-50.2	121.3	0	0	112	L193 K194 Y199 K200 V201	L193-E197 PolarHBondContact O-N 2.78Å; K194-E197 PolarHBondContact O-N 2.68Å; E197-Y199 VanDerWaalsContact C-N 3.25Å; E197-Y199 PolarHBondContact O-N 2.67Å; E197-K200 PolarHBondContact O-N 3.48Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.36Å; E197-K200 WeakPolarHBondContact OE1-CE 3.12Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.42Å; E197-K200 WeakPolarHBondContact OE2-CD 3.38Å; E197-K200 IonicContact OE2-NZ 3.7Å; E197-V201 PolarHBondContact O-N 3.09Å
198	C	95.4	Very high	93.7	Very high	15 Å²	15	47.1 Å²	47.1	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-55.5	-38.5	174.4	-65.8	0	0	0	0	113.3	F93 K194 R195 I196	F93-C198 HydrophobicContact CB-CB 4.36Å; K194-C198 PolarHBondContact O-N 2.85Å; K194-C198 PolarHBondContact O-SG 3.1Å; R195-C198 WeakPolarHBondContact O-CB 3.35Å; R195-C198 PolarHBondContact O-N 2.98Å; I196-C198 VanDerWaalsContact C-N 3.28Å; I196-C198 PolarHBondContact O-N 3.3Å
199	Y	95.3	Very high	94.3	Very high	20 Å²	20	54 Å²	54	8%	0.078	27%	0.274	C	S	.	.	H	α-helix	trans	-78.8	-30.9	178.4	-77.1	-83.7	0	0	0	112.7	P49 F93 R104 T132 R195 I196 E197 V201 T202 Y203	P49-Y199 HydrophobicContact CG-CD2 3.62Å; P49-Y199 HydrophobicContact CG-CE2 3.97Å; P49-Y199 HydrophobicContact CG-CG 4.29Å; F93-Y199 HydrophobicContact CB-CE2 3.95Å; F93-Y199 AromaticContact CD1-CE2 3.99Å; F93-Y199 HydrophobicContact CD1-CE2 3.99Å; F93-Y199 AromaticContact CD1-CZ 3.99Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.4Å; F93-Y199 HydrophobicContact CG-CE2 4.07Å; R104-Y199 PolarHBondContact NH1-OH 3.26Å; T132-Y199 HydrophobicContact CG2-CD1 4.17Å; T132-Y199 HydrophobicContact CG2-CE1 3.91Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.48Å; R195-Y199 HydrophobicContact CG-CE2 4.28Å; R195-Y199 VanDerWaalsContact O-CD2 3.28Å; R195-Y199 WeakPolarHBondContact O-CD2 3.39Å; I196-Y199 PolarHBondContact O-N 3.48Å; E197-Y199 VanDerWaalsContact C-N 3.25Å; E197-Y199 PolarHBondContact O-N 2.67Å; Y199-V201 VanDerWaalsContact C-N 3.26Å; Y199-V201 PolarHBondContact O-N 2.87Å; Y199-T202 PolarHBondContact O-N 3.36Å; Y199-Y203 WeakPolarHBondContact O-CB 3.41Å; Y199-Y203 PolarHBondContact O-N 3.05Å; Y199-Y203 VanDerWaalsContact O-N 3.1Å
200	K	95.4	Very high	94.8	Very high	98 Å²	98	57.7 Å²	57.7	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-37.5	178.3	-78	-179.7	176.7	171.2	0	112.1	L48 I196 E197 T202 Y203	L48-K200 HydrophobicContact CD1-CG 3.8Å; L48-K200 HydrophobicContact CD2-CG 4.27Å; I196-K200 HydrophobicContact CG2-CG 4.47Å; I196-K200 PolarHBondContact O-N 3.17Å; I196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 PolarHBondContact O-N 3.48Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.36Å; E197-K200 WeakPolarHBondContact OE1-CE 3.12Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 PolarHBondContact OE1-NZ 3.42Å; E197-K200 WeakPolarHBondContact OE2-CD 3.38Å; E197-K200 IonicContact OE2-NZ 3.7Å; K200-T202 PolarHBondContact O-N 2.91Å; K200-T202 VanDerWaalsContact O-N 3.12Å; K200-Y203 PolarHBondContact O-N 3.3Å
201	V	96.8	Very high	95.3	Very high	100 Å²	100	57.6 Å²	57.6	61%	0.606	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.1	-179.7	-179.8	0	0	0	0	112.8	E197 Y199	E197-V201 PolarHBondContact O-N 3.09Å; Y199-V201 VanDerWaalsContact C-N 3.26Å; Y199-V201 PolarHBondContact O-N 2.87Å
202	T	96.2	Very high	95.7	Very high	49 Å²	49	56.6 Å²	56.6	30%	0.301	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	6.9	-174.8	56.4	0	0	0	0	113.2	H95 Y199 K200 Q204	H95-T202 HydrophobicContact CB-CG2 3.83Å; Y199-T202 PolarHBondContact O-N 3.36Å; K200-T202 PolarHBondContact O-N 2.91Å; K200-T202 VanDerWaalsContact O-N 3.12Å; T202-Q204 PolarHBondContact O-N 3.4Å
203	Y	98.1	Very high	96.1	Very high	44 Å²	44	61.6 Å²	61.6	17%	0.173	31%	0.307	C	S	.	.			trans	-72.5	120.4	-175.8	-178.8	-150.3	0	0	0	111	I46 L48 T134 E157 Y199 K200 P205	I46-Y203 HydrophobicContact CG2-CE2 4.33Å; L48-Y203 HydrophobicContact CD1-CD1 4.08Å; L48-Y203 HydrophobicContact CD1-CE1 4.28Å; L48-Y203 HydrophobicContact CD2-CD1 3.87Å; L48-Y203 HydrophobicContact CD2-CE1 4.46Å; L48-Y203 HydrophobicContact CD2-CG 4.03Å; L48-Y203 HydrophobicContact CG-CD1 3.84Å; L48-Y203 HydrophobicContact CG-CE1 3.98Å; L48-Y203 HydrophobicContact CG-CG 4.43Å; T134-Y203 HydrophobicContact CG2-CD2 3.54Å; T134-Y203 HydrophobicContact CG2-CE2 3.9Å; T134-Y203 HydrophobicContact CG2-CG 4.18Å; E157-Y203 PolarHBondContact OE1-OH 2.71Å; Y199-Y203 WeakPolarHBondContact O-CB 3.41Å; Y199-Y203 PolarHBondContact O-N 3.05Å; Y199-Y203 VanDerWaalsContact O-N 3.1Å; K200-Y203 PolarHBondContact O-N 3.3Å; Y203-P205 HydrophobicContact CD1-CG 4.18Å; Y203-P205 HydrophobicContact CD2-CG 4.43Å; Y203-P205 HydrophobicContact CE1-CG 3.84Å; Y203-P205 HydrophobicContact CE2-CB 4.33Å; Y203-P205 HydrophobicContact CE2-CG 4.12Å; Y203-P205 HydrophobicContact CG-CG 4.48Å
204	Q	98.3	Very high	96.5	Very high	78 Å²	78	62.5 Å²	62.5	36%	0.364	31%	0.312	S	S	.	.			trans	-116.8	93.7	174	-64.5	171.7	-43	0	0	107.7	T134 R136 R139 T202	T134-Q204 PolarHBondContact O-N 3.12Å; R136-Q204 HydrophobicContact CG-CB 4.15Å; R139-Q204 PolarHBondContact NH1-O 3.4Å; R139-Q204 PolarHBondContact NH2-O 2.93Å; T202-Q204 PolarHBondContact O-N 3.4Å
205	P	98.2	Very high	96.8	Very high	58 Å²	58	60.3 Å²	60.3	38%	0.377	30%	0.304	S	S	.	.			trans	-56.2	159.6	176.8	-21.5	31.4	0	0	0	111.7	E157 Y203 D207	E157-P205 WeakPolarHBondContact OE1-CA 3.39Å; Y203-P205 HydrophobicContact CD1-CG 4.18Å; Y203-P205 HydrophobicContact CD2-CG 4.43Å; Y203-P205 HydrophobicContact CE1-CG 3.84Å; Y203-P205 HydrophobicContact CE2-CB 4.33Å; Y203-P205 HydrophobicContact CE2-CG 4.12Å; Y203-P205 HydrophobicContact CG-CG 4.48Å; P205-D207 PolarHBondContact O-N 3.36Å
206	L	98.5	Very high	97	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.301	C	S	.	.			trans	-61.3	140	172.9	-66.2	171.6	0	0	0	110.7	I46 F155 E157 D212 L215 F217 K219	I46-L206 HydrophobicContact CD1-CD1 3.7Å; I46-L206 HydrophobicContact CD1-CD2 3.82Å; I46-L206 HydrophobicContact CD1-CG 3.74Å; F155-L206 HydrophobicContact CB-CD1 3.99Å; E157-L206 HydrophobicContact CB-CD1 4.07Å; E157-L206 PolarHBondContact OE1-N 3.31Å; E157-L206 VanDerWaalsContact OE2-CB 3.29Å; E157-L206 WeakPolarHBondContact OE2-CB 3.22Å; E157-L206 WeakPolarHBondContact OE2-CG 3.38Å; E157-L206 PolarHBondContact OE2-N 3.34Å; E157-L206 VanDerWaalsContact OE2-N 3.17Å; L206-D212 WeakPolarHBondContact CA-OD2 3.45Å; L206-D212 HydrophobicContact CB-CB 4.45Å; L206-D212 HydrophobicContact CD2-CB 4.09Å; L206-D212 WeakPolarHBondContact CD2-OD1 3.27Å; L206-L215 HydrophobicContact CD2-CD1 4.43Å; L206-F217 HydrophobicContact CB-CE2 4.22Å; L206-F217 HydrophobicContact CB-CZ 4.19Å; L206-F217 HydrophobicContact CD1-CB 3.79Å; L206-F217 HydrophobicContact CD1-CD1 4.12Å; L206-F217 HydrophobicContact CD1-CD2 3.67Å; L206-F217 HydrophobicContact CD1-CE2 4.15Å; L206-F217 HydrophobicContact CD1-CG 3.63Å; L206-K219 WeakPolarHBondContact O-CE 3.33Å; L206-K219 PolarHBondContact O-NZ 3.18Å
207	D	98.1	Very high	97.3	Very high	47 Å²	47	59.1 Å²	59.1	25%	0.251	30%	0.3	S	S	.	.			trans	-120.4	91.1	-176.7	176.9	6.7	0	0	0	109.9	R136 P205 D209 N210 Y211 D212	R136-D207 IonicContact NH2-OD2 3.45Å; P205-D207 PolarHBondContact O-N 3.36Å; D207-D209 PolarHBondContact O-N 3.36Å; D207-D209 PolarHBondContact OD1-N 3.48Å; D207-N210 PolarHBondContact O-N 3.33Å; D207-N210 PolarHBondContact OD1-N 2.99Å; D207-N210 WeakPolarHBondContact OD2-CB 3.37Å; D207-Y211 PolarHBondContact OD2-N 3.3Å; D207-D212 PolarHBondContact N-OD2 2.92Å; D207-D212 CarbonylContact O-C 3.55Å; D207-D212 WeakPolarHBondContact O-CA 3.35Å; D207-D212 WeakPolarHBondContact O-CB 3.12Å; D207-D212 PolarHBondContact O-N 2.99Å
208	P	96.5	Very high	97.4	Very high	23 Å²	23	54.6 Å²	54.6	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.7	-177.6	20.5	-28.3	0	0	0	113.6	K213 F217 L228	P208-K213 VanDerWaalsContact O-CA 3.22Å; P208-K213 WeakPolarHBondContact O-CA 3.37Å; P208-K213 WeakPolarHBondContact O-CB 3.32Å; P208-F217 HydrophobicContact CB-CZ 3.72Å; P208-F217 HydrophobicContact CG-CZ 4.26Å; P208-L228 HydrophobicContact CB-CD2 4.07Å; P208-L228 HydrophobicContact CG-CD1 3.83Å; P208-L228 HydrophobicContact CG-CD2 3.98Å
209	D	96.6	Very high	97.6	Very high	147 Å²	147	54.7 Å²	54.7	79%	0.786	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19.4	-170.6	-60.4	-43	0	0	0	111.7	D207	D207-D209 PolarHBondContact O-N 3.36Å; D207-D209 PolarHBondContact OD1-N 3.48Å
210	N	97.1	Very high	97.6	Very high	115 Å²	115	54.6 Å²	54.6	62%	0.615	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-89	-177.9	-163.2	-10.7	0	0	0	112.8	D207 D212 K213	D207-N210 PolarHBondContact O-N 3.33Å; D207-N210 PolarHBondContact OD1-N 2.99Å; D207-N210 WeakPolarHBondContact OD2-CB 3.37Å; N210-D212 PolarHBondContact O-N 2.93Å; N210-K213 WeakPolarHBondContact O-CD 3.3Å; N210-K213 WeakPolarHBondContact O-CG 3.38Å; N210-K213 PolarHBondContact O-N 3.47Å
211	Y	97.2	Very high	97.6	Very high	101 Å²	101	51.3 Å²	51.3	40%	0.396	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-39.4	-166.5	-173.1	-92.8	0	0	0	113.8	R136 D140 D207	R136-Y211 HydrophobicContact CB-CE1 4Å; R136-Y211 HydrophobicContact CG-CD1 4.03Å; R136-Y211 HydrophobicContact CG-CE1 3.63Å; D140-Y211 PolarHBondContact OD1-OH 3.45Å; D140-Y211 PolarHBondContact OD2-OH 2.99Å; D207-Y211 PolarHBondContact OD2-N 3.3Å
212	D	98.4	Very high	97.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.011	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	13.6	-173.5	-57.5	-78.1	0	0	0	112.5	R139 L206 D207 N210 D214 L215 F217	R139-D212 IonicContact NH2-OD1 2.83Å; R139-D212 IonicContact NH2-OD2 3.48Å; L206-D212 WeakPolarHBondContact CA-OD2 3.45Å; L206-D212 HydrophobicContact CB-CB 4.45Å; L206-D212 HydrophobicContact CD2-CB 4.09Å; L206-D212 WeakPolarHBondContact CD2-OD1 3.27Å; D207-D212 PolarHBondContact N-OD2 2.92Å; D207-D212 CarbonylContact O-C 3.55Å; D207-D212 WeakPolarHBondContact O-CA 3.35Å; D207-D212 WeakPolarHBondContact O-CB 3.12Å; D207-D212 PolarHBondContact O-N 2.99Å; N210-D212 PolarHBondContact O-N 2.93Å; D212-D214 PolarHBondContact O-N 3.42Å; D212-D214 VanDerWaalsContact O-N 3.07Å; D212-L215 HydrophobicContact CB-CD1 3.86Å; D212-L215 HydrophobicContact CB-CG 4.22Å; D212-L215 WeakPolarHBondContact O-CB 3.3Å; D212-L215 PolarHBondContact O-N 3.09Å; D212-L215 WeakPolarHBondContact OD1-CD1 3.46Å; D212-F217 HydrophobicContact CB-CE1 4.28Å
213	K	97.8	Very high	96.6	Very high	107 Å²	107	48.2 Å²	48.2	47%	0.465	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.4	-174.7	72.1	-174.8	178.3	-177.1	0	115.2	P208 N210 N230 R231	P208-K213 VanDerWaalsContact O-CA 3.22Å; P208-K213 WeakPolarHBondContact O-CA 3.37Å; P208-K213 WeakPolarHBondContact O-CB 3.32Å; N210-K213 WeakPolarHBondContact O-CD 3.3Å; N210-K213 WeakPolarHBondContact O-CG 3.38Å; N210-K213 PolarHBondContact O-N 3.47Å; K213-N230 PolarHBondContact O-ND2 2.65Å; K213-R231 WeakPolarHBondContact O-CD 3.5Å; K213-R231 PolarHBondContact O-NE 3.3Å
214	D	97.9	Very high	96.1	Very high	97 Å²	97	47.1 Å²	47.1	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.1	-178	-63.5	-44.5	0	0	0	113.1	D212 R231	D212-D214 PolarHBondContact O-N 3.42Å; D212-D214 VanDerWaalsContact O-N 3.07Å; D214-R231 IonicContact OD1-CZ 3.35Å; D214-R231 IonicContact OD1-NE 2.78Å; D214-R231 IonicContact OD1-NH2 2.73Å; D214-R231 PolarHBondContact OD1-NH2 2.81Å
215	L	98.4	Very high	95.7	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.173	26%	0.261	C	S	.	.	S	Bend	trans	-85.7	146.8	178.4	-56.5	-173.1	0	0	0	111.9	L143 F155 L206 D212 F217 N230	L143-L215 HydrophobicContact CD1-CD1 4.3Å; L143-L215 HydrophobicContact CD1-CD2 3.9Å; L143-L215 HydrophobicContact CD2-CD2 4.17Å; F155-L215 HydrophobicContact CD2-CB 4.37Å; F155-L215 HydrophobicContact CD2-CD1 4.33Å; F155-L215 HydrophobicContact CE2-CB 4.29Å; F155-L215 HydrophobicContact CE2-CD1 3.8Å; F155-L215 HydrophobicContact CE2-CD2 4.4Å; F155-L215 HydrophobicContact CE2-CG 4.4Å; F155-L215 HydrophobicContact CZ-CD1 4.38Å; L206-L215 HydrophobicContact CD2-CD1 4.43Å; D212-L215 HydrophobicContact CB-CD1 3.86Å; D212-L215 HydrophobicContact CB-CG 4.22Å; D212-L215 WeakPolarHBondContact O-CB 3.3Å; D212-L215 PolarHBondContact O-N 3.09Å; D212-L215 WeakPolarHBondContact OD1-CD1 3.46Å; L215-F217 HydrophobicContact CB-CD1 4.06Å; L215-F217 VanDerWaalsContact O-CD1 3.31Å; L215-F217 WeakPolarHBondContact O-CD1 3.42Å; L215-N230 PolarHBondContact O-ND2 2.91Å
216	S	98.6	Very high	95.5	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.042	27%	0.271	C	S	.	.			trans	-90.2	117.7	173.8	-59.7	0	0	0	0	110.2	F154 F155 N230 R231 Q233	F154-S216 WeakPolarHBondContact CA-O 3.01Å; F155-S216 PolarHBondContact N-O 3.23Å; S216-N230 WeakPolarHBondContact CA-O 3.42Å; S216-R231 WeakPolarHBondContact CB-O 3.22Å; S216-R231 PolarHBondContact OG-O 3.05Å; S216-Q233 WeakPolarHBondContact OG-CG 3.48Å; S216-Q233 PolarHBondContact OG-NE2 3.27Å
217	F	98.8	Very high	95.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	166.2	-175.6	67.6	-98.1	0	0	0	114.9	F155 L206 P208 D212 L215 K219 L228 V229 N230	F155-F217 HydrophobicContact CB-CB 3.69Å; F155-F217 CarbonylContact O-C 3.39Å; F155-F217 WeakPolarHBondContact O-CA 3.07Å; F155-F217 WeakPolarHBondContact O-CB 3.49Å; L206-F217 HydrophobicContact CB-CE2 4.22Å; L206-F217 HydrophobicContact CB-CZ 4.19Å; L206-F217 HydrophobicContact CD1-CB 3.79Å; L206-F217 HydrophobicContact CD1-CD1 4.12Å; L206-F217 HydrophobicContact CD1-CD2 3.67Å; L206-F217 HydrophobicContact CD1-CE2 4.15Å; L206-F217 HydrophobicContact CD1-CG 3.63Å; P208-F217 HydrophobicContact CB-CZ 3.72Å; P208-F217 HydrophobicContact CG-CZ 4.26Å; D212-F217 HydrophobicContact CB-CE1 4.28Å; L215-F217 HydrophobicContact CB-CD1 4.06Å; L215-F217 VanDerWaalsContact O-CD1 3.31Å; L215-F217 WeakPolarHBondContact O-CD1 3.42Å; F217-K219 HydrophobicContact CD2-CG 4.15Å; F217-K219 HydrophobicContact CE2-CD 4.05Å; F217-K219 HydrophobicContact CE2-CG 3.95Å; F217-L228 HydrophobicContact CE2-CD2 3.78Å; F217-L228 HydrophobicContact CZ-CD2 4.23Å; F217-V229 WeakPolarHBondContact O-CA 3.38Å; F217-N230 HydrophobicContact CD1-CB 3.78Å; F217-N230 HydrophobicContact CD2-CB 4.34Å; F217-N230 HydrophobicContact CE1-CB 3.53Å; F217-N230 HydrophobicContact CE2-CB 4.13Å; F217-N230 HydrophobicContact CG-CB 4.19Å; F217-N230 HydrophobicContact CZ-CB 3.75Å; F217-N230 PolarHBondContact N-O 3.43Å; F217-N230 PolarHBondContact O-N 3.4Å
218	I	98.6	Very high	95.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.9	164.9	-178.4	171.7	0	0	0	109.9	F154 F155 V156 E157 V220 F227 L228 V229 V241 L244	F154-I218 HydrophobicContact CE1-CG2 3.7Å; F154-I218 HydrophobicContact CZ-CB 4.1Å; F154-I218 HydrophobicContact CZ-CG2 3.76Å; F155-I218 PolarHBondContact O-N 3.43Å; V156-I218 WeakPolarHBondContact CA-O 3.23Å; V156-I218 HydrophobicContact CB-CG2 4.28Å; V156-I218 HydrophobicContact CG1-CG2 4.19Å; V156-I218 HydrophobicContact CG2-CG2 3.85Å; E157-I218 PolarHBondContact N-O 3.06Å; I218-V220 HydrophobicContact CD1-CG2 4.34Å; I218-V220 HydrophobicContact CG1-CG2 4.26Å; I218-F227 HydrophobicContact CD1-CD1 3.88Å; I218-F227 HydrophobicContact CG1-CD1 4.36Å; I218-L228 CarbonylContact C-O 3.58Å; I218-L228 WeakPolarHBondContact CA-O 3.27Å; I218-V229 HydrophobicContact CB-CG2 4.4Å; I218-V229 HydrophobicContact CD1-CG2 4.05Å; I218-V229 HydrophobicContact CG1-CG2 3.95Å; I218-V241 HydrophobicContact CB-CG2 4.5Å; I218-V241 HydrophobicContact CD1-CG1 4.23Å; I218-V241 HydrophobicContact CD1-CG2 4.34Å; I218-L244 HydrophobicContact CD1-CB 4.19Å; I218-L244 HydrophobicContact CD1-CD1 4.29Å; I218-L244 HydrophobicContact CG2-CD1 3.74Å
219	K	98.2	Very high	95.5	Very high	18 Å²	18	59.5 Å²	59.5	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.9	163.8	-68.8	168.9	173.9	-80.1	0	108.7	E157 L206 F217 I221 F227 L228	E157-K219 HydrophobicContact CB-CG 4.18Å; E157-K219 CarbonylContact O-C 3.59Å; E157-K219 WeakPolarHBondContact O-CA 3.27Å; E157-K219 WeakPolarHBondContact OE2-CE 3.49Å; E157-K219 WeakPolarHBondContact OE2-CG 3.45Å; E157-K219 IonicContact OE2-NZ 3.52Å; E157-K219 PolarHBondContact OE2-NZ 3.43Å; L206-K219 WeakPolarHBondContact O-CE 3.33Å; L206-K219 PolarHBondContact O-NZ 3.18Å; F217-K219 HydrophobicContact CD2-CG 4.15Å; F217-K219 HydrophobicContact CE2-CD 4.05Å; F217-K219 HydrophobicContact CE2-CG 3.95Å; K219-I221 HydrophobicContact CB-CG1 4.36Å; K219-F227 VanDerWaalsContact O-CA 3.28Å; K219-F227 WeakPolarHBondContact O-CA 3.31Å; K219-L228 HydrophobicContact CB-CB 4.12Å; K219-L228 HydrophobicContact CD-CB 4.18Å; K219-L228 HydrophobicContact CD-CD1 4.34Å; K219-L228 PolarHBondContact N-O 3.36Å; K219-L228 PolarHBondContact O-N 3.47Å
220	V	96.3	Very high	95.6	Very high	17 Å²	17	54 Å²	54	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111	172.1	-177.2	0	0	0	0	107.3	E157 V159 I218 F227	E157-V220 PolarHBondContact O-N 2.94Å; V159-V220 PolarHBondContact N-O 3.15Å; I218-V220 HydrophobicContact CD1-CG2 4.34Å; I218-V220 HydrophobicContact CG1-CG2 4.26Å; V220-F227 HydrophobicContact CB-CD1 4.43Å; V220-F227 HydrophobicContact CB-CE1 4.32Å; V220-F227 HydrophobicContact CG1-CD1 4.36Å; V220-F227 HydrophobicContact CG1-CE1 3.82Å; V220-F227 HydrophobicContact CG2-CD1 4.07Å; V220-F227 HydrophobicContact CG2-CE1 4.01Å
221	I	94.2	Very high	95.6	Very high	30 Å²	30	55.3 Å²	55.3	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.5	-172.3	-58.2	168	0	0	0	109.3	V159 K219 V223 G224 Q225 R226	V159-I221 HydrophobicContact CB-CG1 4.36Å; V159-I221 CarbonylContact O-C 3.54Å; V159-I221 WeakPolarHBondContact O-CA 3.23Å; K219-I221 HydrophobicContact CB-CG1 4.36Å; I221-V223 PolarHBondContact O-N 3.06Å; I221-G224 PolarHBondContact O-N 3.02Å; I221-Q225 PolarHBondContact O-N 2.96Å; I221-Q225 VanDerWaalsContact O-N 3.15Å; I221-R226 HydrophobicContact CB-CB 4.17Å; I221-R226 PolarHBondContact N-O 2.92Å; I221-R226 PolarHBondContact O-N 3.07Å
222	N	88.5	Confident	95.6	Very high	37 Å²	37	53.3 Å²	53.3	20%	0.198	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	56.8	179.6	-66	-18.1	0	0	0	112.1	V159 D161 G224 Q225	V159-N222 PolarHBondContact O-N 3.26Å; D161-N222 PolarHBondContact N-OD1 2.91Å; N222-G224 VanDerWaalsContact C-N 3.26Å; N222-G224 PolarHBondContact O-N 2.6Å; N222-Q225 HydrophobicContact CB-CB 4.13Å; N222-Q225 HydrophobicContact CB-CG 4.19Å; N222-Q225 VanDerWaalsContact O-CG 3.25Å; N222-Q225 WeakPolarHBondContact O-CG 3.37Å; N222-Q225 PolarHBondContact O-N 3.31Å
223	V	84.9	Confident	95.5	Very high	46 Å²	46	58.3 Å²	58.3	28%	0.279	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.7	174.4	-156.3	0	0	0	0	113.9	V165 I221 V249	V165-V223 HydrophobicContact CG1-CG2 3.56Å; V165-V223 HydrophobicContact CG2-CG2 4.35Å; I221-V223 PolarHBondContact O-N 3.06Å; V223-V249 HydrophobicContact CB-CG2 4.47Å; V223-V249 HydrophobicContact CG1-CB 3.98Å; V223-V249 HydrophobicContact CG1-CG1 3.45Å; V223-V249 VanDerWaalsContact CG1-CG1 3.45Å; V223-V249 HydrophobicContact CG1-CG2 3.36Å
224	G	87.2	Confident	95.4	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	10.7	175.3	0	0	0	0	0	114.7	I221 N222 R226 F227	I221-G224 PolarHBondContact O-N 3.02Å; N222-G224 VanDerWaalsContact C-N 3.26Å; N222-G224 PolarHBondContact O-N 2.6Å; G224-R226 VanDerWaalsContact C-N 3.29Å; G224-F227 WeakPolarHBondContact O-CE2 3.34Å; G224-F227 WeakPolarHBondContact O-CZ 3.49Å
225	Q	89.2	Confident	95.3	Very high	137 Å²	137	53.2 Å²	53.2	64%	0.64	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.8	169.7	-74.4	174.9	4.4	0	0	112.2	I221 N222	I221-Q225 PolarHBondContact O-N 2.96Å; I221-Q225 VanDerWaalsContact O-N 3.15Å; N222-Q225 HydrophobicContact CB-CB 4.13Å; N222-Q225 HydrophobicContact CB-CG 4.19Å; N222-Q225 VanDerWaalsContact O-CG 3.25Å; N222-Q225 WeakPolarHBondContact O-CG 3.37Å; N222-Q225 PolarHBondContact O-N 3.31Å
226	R	94.4	Very high	95.1	Very high	157 Å²	157	51.7 Å²	51.7	59%	0.592	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141	151.6	178	-66.4	-175	-63.6	161.5	0.6	111	I221 G224	I221-R226 HydrophobicContact CB-CB 4.17Å; I221-R226 PolarHBondContact N-O 2.92Å; I221-R226 PolarHBondContact O-N 3.07Å; G224-R226 VanDerWaalsContact C-N 3.29Å
227	F	96.6	Very high	95.1	Very high	58 Å²	58	51.4 Å²	51.4	25%	0.254	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.1	177.8	-56.7	-87	0	0	0	110.2	I218 K219 V220 G224 M245	I218-F227 HydrophobicContact CD1-CD1 3.88Å; I218-F227 HydrophobicContact CG1-CD1 4.36Å; K219-F227 VanDerWaalsContact O-CA 3.28Å; K219-F227 WeakPolarHBondContact O-CA 3.31Å; V220-F227 HydrophobicContact CB-CD1 4.43Å; V220-F227 HydrophobicContact CB-CE1 4.32Å; V220-F227 HydrophobicContact CG1-CD1 4.36Å; V220-F227 HydrophobicContact CG1-CE1 3.82Å; V220-F227 HydrophobicContact CG2-CD1 4.07Å; V220-F227 HydrophobicContact CG2-CE1 4.01Å; G224-F227 WeakPolarHBondContact O-CE2 3.34Å; G224-F227 WeakPolarHBondContact O-CZ 3.49Å; F227-M245 HydrophobicContact CD1-CG 4.07Å; F227-M245 HydrophobicContact CD2-CE 4.36Å; F227-M245 HydrophobicContact CD2-CG 3.97Å; F227-M245 HydrophobicContact CE1-CG 4.15Å; F227-M245 HydrophobicContact CE2-CB 4.28Å; F227-M245 HydrophobicContact CE2-CG 4.07Å; F227-M245 HydrophobicContact CG-CG 3.97Å; F227-M245 HydrophobicContact CZ-CB 4.28Å; F227-M245 HydrophobicContact CZ-CG 4.16Å
228	L	97.9	Very high	95	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.325	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.6	165.6	-168.9	163.3	0	0	0	107.2	P208 F217 I218 K219	P208-L228 HydrophobicContact CB-CD2 4.07Å; P208-L228 HydrophobicContact CG-CD1 3.83Å; P208-L228 HydrophobicContact CG-CD2 3.98Å; F217-L228 HydrophobicContact CE2-CD2 3.78Å; F217-L228 HydrophobicContact CZ-CD2 4.23Å; I218-L228 CarbonylContact C-O 3.58Å; I218-L228 WeakPolarHBondContact CA-O 3.27Å; K219-L228 HydrophobicContact CB-CB 4.12Å; K219-L228 HydrophobicContact CD-CB 4.18Å; K219-L228 HydrophobicContact CD-CD1 4.34Å; K219-L228 PolarHBondContact N-O 3.36Å; K219-L228 PolarHBondContact O-N 3.47Å
229	V	98.5	Very high	94.9	Very high	58 Å²	58	55.7 Å²	55.7	35%	0.352	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.6	-177.4	-177	0	0	0	0	108.4	F217 I218 V232 V241	F217-V229 WeakPolarHBondContact O-CA 3.38Å; I218-V229 HydrophobicContact CB-CG2 4.4Å; I218-V229 HydrophobicContact CD1-CG2 4.05Å; I218-V229 HydrophobicContact CG1-CG2 3.95Å; V229-V232 HydrophobicContact CG1-CG2 3.45Å; V229-V232 VanDerWaalsContact CG1-CG2 3.45Å; V229-V241 HydrophobicContact CG1-CG1 4.29Å; V229-V241 HydrophobicContact CG1-CG2 3.98Å; V229-V241 HydrophobicContact CG2-CG1 3.85Å
230	N	98.5	Very high	94.9	Very high	31 Å²	31	54.8 Å²	54.8	17%	0.166	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.4	177.8	-166.6	49.1	0	0	0	111.1	K213 L215 S216 F217 V232	K213-N230 PolarHBondContact O-ND2 2.65Å; L215-N230 PolarHBondContact O-ND2 2.91Å; S216-N230 WeakPolarHBondContact CA-O 3.42Å; F217-N230 HydrophobicContact CD1-CB 3.78Å; F217-N230 HydrophobicContact CD2-CB 4.34Å; F217-N230 HydrophobicContact CE1-CB 3.53Å; F217-N230 HydrophobicContact CE2-CB 4.13Å; F217-N230 HydrophobicContact CG-CB 4.19Å; F217-N230 HydrophobicContact CZ-CB 3.75Å; F217-N230 PolarHBondContact N-O 3.43Å; F217-N230 PolarHBondContact O-N 3.4Å; N230-V232 PolarHBondContact O-N 2.9Å
231	R	97.6	Very high	94.9	Very high	143 Å²	143	54.7 Å²	54.7	54%	0.54	27%	0.268	S	S	.	.			trans	42.5	60.3	169.8	-66.8	-176.5	174.7	-100	14	115.6	K213 D214 S216 Q233	K213-R231 WeakPolarHBondContact O-CD 3.5Å; K213-R231 PolarHBondContact O-NE 3.3Å; D214-R231 IonicContact OD1-CZ 3.35Å; D214-R231 IonicContact OD1-NE 2.78Å; D214-R231 IonicContact OD1-NH2 2.73Å; D214-R231 PolarHBondContact OD1-NH2 2.81Å; S216-R231 WeakPolarHBondContact CB-O 3.22Å; S216-R231 PolarHBondContact OG-O 3.05Å; R231-Q233 PolarHBondContact O-N 3.47Å
232	V	98	Very high	95	Very high	59 Å²	59	58.4 Å²	58.4	36%	0.358	28%	0.281	S	S	.	.			trans	-62.4	123.4	169.8	-179.8	0	0	0	0	109.6	V229 N230 Q237 V241	V229-V232 HydrophobicContact CG1-CG2 3.45Å; V229-V232 VanDerWaalsContact CG1-CG2 3.45Å; N230-V232 PolarHBondContact O-N 2.9Å; V232-Q237 HydrophobicContact CG1-CB 3.78Å; V232-V241 HydrophobicContact CG2-CG2 4.13Å
233	Q	96.2	Very high	95.5	Very high	108 Å²	108	56.6 Å²	56.6	51%	0.505	27%	0.271	S	S	.	.			trans	-94.1	-29.7	-170	-58.5	177.7	-42.7	0	0	113.9	S216 R231	S216-Q233 WeakPolarHBondContact OG-CG 3.48Å; S216-Q233 PolarHBondContact OG-NE2 3.27Å; R231-Q233 PolarHBondContact O-N 3.47Å
234	D	95.4	Very high	96	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	26%	0.259	C	S	.	.	S	Bend	trans	-154.9	179.4	-171.1	62.1	25.7	0	0	0	113.8	K152 I236 Q237 S238	K152-D234 WeakPolarHBondContact CD-OD2 3.47Å; K152-D234 IonicContact NZ-OD2 2.79Å; K152-D234 PolarHBondContact NZ-OD2 3.16Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.3Å; D234-I236 VanDerWaalsContact OD1-CG2 3.26Å; D234-I236 WeakPolarHBondContact OD1-CG2 3.39Å; D234-I236 PolarHBondContact OD1-N 2.9Å; D234-Q237 PolarHBondContact O-N 3.4Å; D234-Q237 WeakPolarHBondContact OD1-CB 3.16Å; D234-Q237 VanDerWaalsContact OD1-CG 3.3Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.24Å; D234-Q237 PolarHBondContact OD1-N 2.73Å; D234-S238 PolarHBondContact O-N 2.99Å
235	Y	95	Very high	96.3	Very high	64 Å²	64	58 Å²	58	25%	0.251	27%	0.27	S	S	.	.	H	α-helix	trans	-55.3	-46.1	179.7	173.2	-97.6	0	0	0	112.4	A33 M36 S238 K239	A33-Y235 HydrophobicContact CB-CE1 4.18Å; M36-Y235 HydrophobicContact CB-CD1 3.53Å; M36-Y235 HydrophobicContact CB-CE1 4.05Å; M36-Y235 HydrophobicContact CB-CG 3.98Å; M36-Y235 HydrophobicContact CG-CD1 4.19Å; M36-Y235 HydrophobicContact CG-CE1 4.44Å; M36-Y235 HydrophobicContact CG-CG 4.38Å; Y235-S238 PolarHBondContact O-N 3.43Å; Y235-S238 PolarHBondContact O-OG 3.37Å; Y235-K239 HydrophobicContact CD1-CG 4.37Å; Y235-K239 HydrophobicContact CE1-CG 3.88Å; Y235-K239 HydrophobicContact CE2-CG 4.12Å; Y235-K239 VanDerWaalsContact CZ-CE 3.49Å; Y235-K239 PolarHBondContact O-N 3.25Å; Y235-K239 WeakPolarHBondContact OH-CE 3.41Å
236	I	95.5	Very high	96.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-37.8	-172.7	-162.4	51.6	0	0	0	111.3	T37 L64 V69 I126 D234 S238 K239 I240	T37-I236 HydrophobicContact CG2-CG2 4.47Å; L64-I236 HydrophobicContact CD2-CD1 3.71Å; L64-I236 HydrophobicContact CD2-CG1 4.44Å; V69-I236 HydrophobicContact CG2-CD1 4.17Å; I126-I236 HydrophobicContact CD1-CD1 4.24Å; I126-I236 HydrophobicContact CD1-CG1 3.61Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.3Å; D234-I236 VanDerWaalsContact OD1-CG2 3.26Å; D234-I236 WeakPolarHBondContact OD1-CG2 3.39Å; D234-I236 PolarHBondContact OD1-N 2.9Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 2.94Å; I236-K239 HydrophobicContact CD1-CB 4.46Å; I236-K239 PolarHBondContact O-N 3.13Å; I236-I240 HydrophobicContact CG1-CD1 4.4Å; I236-I240 WeakPolarHBondContact O-CD1 3.44Å; I236-I240 VanDerWaalsContact O-CG1 3.23Å; I236-I240 WeakPolarHBondContact O-CG1 3.46Å; I236-I240 PolarHBondContact O-N 2.65Å
237	Q	97.7	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-40.7	170.8	-68.3	178.3	13.2	0	0	111.7	F154 V232 D234 K239 I240 V241	F154-Q237 HydrophobicContact CB-CG 4.13Å; F154-Q237 HydrophobicContact CD2-CB 4.15Å; F154-Q237 HydrophobicContact CD2-CG 3.76Å; F154-Q237 HydrophobicContact CE2-CB 4.27Å; F154-Q237 HydrophobicContact CE2-CG 4.38Å; F154-Q237 HydrophobicContact CG-CG 3.94Å; V232-Q237 HydrophobicContact CG1-CB 3.78Å; D234-Q237 PolarHBondContact O-N 3.4Å; D234-Q237 WeakPolarHBondContact OD1-CB 3.16Å; D234-Q237 VanDerWaalsContact OD1-CG 3.3Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.24Å; D234-Q237 PolarHBondContact OD1-N 2.73Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 3.41Å; Q237-I240 PolarHBondContact O-N 3.36Å; Q237-V241 WeakPolarHBondContact O-CG2 3.23Å; Q237-V241 PolarHBondContact O-N 2.98Å
238	S	97.2	Very high	95.7	Very high	52 Å²	52	45 Å²	45	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-38.8	176	80	0	0	0	0	112.5	D234 Y235 I236 V241 Y242	D234-S238 PolarHBondContact O-N 2.99Å; Y235-S238 PolarHBondContact O-N 3.43Å; Y235-S238 PolarHBondContact O-OG 3.37Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 2.94Å; S238-V241 PolarHBondContact O-N 2.61Å; S238-Y242 WeakPolarHBondContact O-CB 3.44Å; S238-Y242 PolarHBondContact O-N 3.34Å
239	K	95.9	Very high	94.8	Very high	38 Å²	38	45.1 Å²	45.1	17%	0.165	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-41.1	175.2	-77.3	-68.1	-164	164.3	0	112.3	Y235 I236 Q237 Y242 Y243 E376	Y235-K239 HydrophobicContact CD1-CG 4.37Å; Y235-K239 HydrophobicContact CE1-CG 3.88Å; Y235-K239 HydrophobicContact CE2-CG 4.12Å; Y235-K239 VanDerWaalsContact CZ-CE 3.49Å; Y235-K239 PolarHBondContact O-N 3.25Å; Y235-K239 WeakPolarHBondContact OH-CE 3.41Å; I236-K239 HydrophobicContact CD1-CB 4.46Å; I236-K239 PolarHBondContact O-N 3.13Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 3.41Å; K239-Y242 PolarHBondContact O-N 3.19Å; K239-Y243 WeakPolarHBondContact O-CB 3.39Å; K239-Y243 PolarHBondContact O-N 3.24Å; K239-E376 IonicContact NZ-OE1 3.87Å; K239-E376 PolarHBondContact NZ-OE1 3.4Å; K239-E376 IonicContact NZ-OE2 3.86Å; K239-E376 PolarHBondContact NZ-OE2 2.88Å; K239-E376 VanDerWaalsContact NZ-OE2 3.08Å
240	I	97.6	Very high	94	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-48.5	174.3	-68.2	157.5	0	0	0	110	I43 L60 L64 F154 I236 Q237 Y242 Y243 L244	I43-I240 HydrophobicContact CD1-CD1 3.51Å; I43-I240 HydrophobicContact CD1-CG1 4.26Å; I43-I240 HydrophobicContact CG1-CD1 4.29Å; L60-I240 HydrophobicContact CD1-CB 4.43Å; L60-I240 HydrophobicContact CD1-CG1 4.17Å; L60-I240 HydrophobicContact CD1-CG2 4.06Å; L60-I240 HydrophobicContact CD2-CG2 3.88Å; L64-I240 HydrophobicContact CD2-CG1 4.27Å; F154-I240 HydrophobicContact CD1-CG2 4.2Å; F154-I240 HydrophobicContact CE1-CB 4.48Å; F154-I240 HydrophobicContact CE1-CG2 3.79Å; I236-I240 HydrophobicContact CG1-CD1 4.4Å; I236-I240 WeakPolarHBondContact O-CD1 3.44Å; I236-I240 VanDerWaalsContact O-CG1 3.23Å; I236-I240 WeakPolarHBondContact O-CG1 3.46Å; I236-I240 PolarHBondContact O-N 2.65Å; Q237-I240 PolarHBondContact O-N 3.36Å; I240-Y242 PolarHBondContact O-N 3.46Å; I240-Y243 PolarHBondContact O-N 3.47Å; I240-L244 HydrophobicContact CG2-CD1 3.79Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.04Å; I240-L244 VanDerWaalsContact O-CG 3.24Å; I240-L244 WeakPolarHBondContact O-CG 3.38Å; I240-L244 PolarHBondContact O-N 3.2Å
241	V	97.9	Very high	93.3	Very high	15 Å²	15	53.4 Å²	53.4	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-51.1	176.4	169	0	0	0	0	110.6	F154 I218 V229 V232 Q237 S238 Y243 L244 M245	F154-V241 HydrophobicContact CE1-CG2 4.44Å; F154-V241 HydrophobicContact CE2-CG2 4.45Å; F154-V241 HydrophobicContact CZ-CG2 3.66Å; I218-V241 HydrophobicContact CB-CG2 4.5Å; I218-V241 HydrophobicContact CD1-CG1 4.23Å; I218-V241 HydrophobicContact CD1-CG2 4.34Å; V229-V241 HydrophobicContact CG1-CG1 4.29Å; V229-V241 HydrophobicContact CG1-CG2 3.98Å; V229-V241 HydrophobicContact CG2-CG1 3.85Å; V232-V241 HydrophobicContact CG2-CG2 4.13Å; Q237-V241 WeakPolarHBondContact O-CG2 3.23Å; Q237-V241 PolarHBondContact O-N 2.98Å; S238-V241 PolarHBondContact O-N 2.61Å; V241-Y243 VanDerWaalsContact C-N 3.32Å; V241-Y243 PolarHBondContact O-N 2.77Å; V241-L244 PolarHBondContact O-N 3.36Å; V241-M245 HydrophobicContact CG1-CG 4.43Å; V241-M245 HydrophobicContact CG1-SD 3.77Å; V241-M245 VanDerWaalsContact O-CG 3.28Å; V241-M245 WeakPolarHBondContact O-CG 3.36Å; V241-M245 PolarHBondContact O-N 3.04Å
242	Y	96.5	Very high	93.1	Very high	107 Å²	107	47.1 Å²	47.1	42%	0.42	24%	0.242	S	C	.	.	H	α-helix	trans	-57.8	-43.8	179.2	176	-117.2	0	0	0	112.3	S238 K239 I240 M245 N246 M380	S238-Y242 WeakPolarHBondContact O-CB 3.44Å; S238-Y242 PolarHBondContact O-N 3.34Å; K239-Y242 PolarHBondContact O-N 3.19Å; I240-Y242 PolarHBondContact O-N 3.46Å; Y242-M245 PolarHBondContact O-N 3.49Å; Y242-N246 WeakPolarHBondContact CD2-ND2 3.44Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.29Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.25Å; Y242-N246 PolarHBondContact O-N 3.18Å; Y242-N246 PolarHBondContact O-ND2 3.48Å; Y242-M380 HydrophobicContact CD1-SD 4.2Å; Y242-M380 HydrophobicContact CE1-CB 4.44Å; Y242-M380 HydrophobicContact CE1-CG 3.66Å; Y242-M380 HydrophobicContact CE1-SD 3.89Å
243	Y	96.9	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-49.5	176.2	-178.9	-103.6	0	0	0	112.1	K59 L60 Y63 K239 I240 V241 M245 N246 I247 M380 E383 Y403	K59-Y243 WeakPolarHBondContact CG-OH 3.29Å; K59-Y243 PolarHBondContact O-OH 2.99Å; L60-Y243 HydrophobicContact CB-CE1 4.45Å; L60-Y243 HydrophobicContact CD1-CD1 3.65Å; L60-Y243 HydrophobicContact CD1-CE1 4.25Å; L60-Y243 HydrophobicContact CD1-CG 4.41Å; Y63-Y243 HydrophobicContact CD1-CD1 4.08Å; Y63-Y243 AromaticContact CD1-CD2 3.62Å; Y63-Y243 HydrophobicContact CD1-CD2 3.62Å; Y63-Y243 HydrophobicContact CD1-CE1 4.49Å; Y63-Y243 HydrophobicContact CD1-CE2 4.07Å; Y63-Y243 AromaticContact CD1-CG 3.61Å; Y63-Y243 HydrophobicContact CD1-CG 3.61Å; Y63-Y243 AromaticContact CD2-CD2 3.82Å; Y63-Y243 HydrophobicContact CD2-CD2 3.82Å; Y63-Y243 AromaticContact CD2-CE2 3.85Å; Y63-Y243 HydrophobicContact CD2-CE2 3.85Å; Y63-Y243 AromaticContact CE1-CD2 3.93Å; Y63-Y243 HydrophobicContact CE1-CD2 3.93Å; Y63-Y243 AromaticContact CE1-CG 3.9Å; Y63-Y243 HydrophobicContact CE1-CG 3.9Å; Y63-Y243 HydrophobicContact CE2-CD2 4.13Å; Y63-Y243 HydrophobicContact CG-CD1 4.45Å; Y63-Y243 AromaticContact CG-CD2 3.55Å; Y63-Y243 HydrophobicContact CG-CD2 3.55Å; Y63-Y243 HydrophobicContact CG-CE1 4.47Å; Y63-Y243 AromaticContact CG-CE2 3.57Å; Y63-Y243 HydrophobicContact CG-CE2 3.57Å; Y63-Y243 AromaticContact CG-CG 4Å; Y63-Y243 HydrophobicContact CG-CG 4Å; K239-Y243 WeakPolarHBondContact O-CB 3.39Å; K239-Y243 PolarHBondContact O-N 3.24Å; I240-Y243 PolarHBondContact O-N 3.47Å; V241-Y243 VanDerWaalsContact C-N 3.32Å; V241-Y243 PolarHBondContact O-N 2.77Å; Y243-M245 PolarHBondContact O-N 2.96Å; Y243-N246 PolarHBondContact O-N 2.93Å; Y243-I247 HydrophobicContact CD1-CG2 4.2Å; Y243-I247 HydrophobicContact CD2-CG2 4.42Å; Y243-I247 HydrophobicContact CE1-CD1 4.42Å; Y243-I247 HydrophobicContact CE1-CG2 3.7Å; Y243-I247 HydrophobicContact CE2-CG2 3.95Å; Y243-I247 PolarHBondContact O-N 3.49Å; Y243-M380 HydrophobicContact CD2-CE 3.55Å; Y243-M380 HydrophobicContact CD2-SD 3.85Å; Y243-M380 HydrophobicContact CE2-CE 3.83Å; Y243-E383 HydrophobicContact CE2-CG 4.34Å; Y243-Y403 PolarHBondContact OH-OH 3.03Å
244	L	95.8	Very high	93.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-29.1	-178.9	-68.4	175	0	0	0	112.8	V56 V156 I218 I240 V241 N246 I247	V56-L244 HydrophobicContact CG1-CD2 3.44Å; V56-L244 VanDerWaalsContact CG1-CD2 3.44Å; V156-L244 HydrophobicContact CG1-CD1 3.92Å; V156-L244 HydrophobicContact CG2-CD1 4.01Å; I218-L244 HydrophobicContact CD1-CB 4.19Å; I218-L244 HydrophobicContact CD1-CD1 4.29Å; I218-L244 HydrophobicContact CG2-CD1 3.74Å; I240-L244 HydrophobicContact CG2-CD1 3.79Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.04Å; I240-L244 VanDerWaalsContact O-CG 3.24Å; I240-L244 WeakPolarHBondContact O-CG 3.38Å; I240-L244 PolarHBondContact O-N 3.2Å; V241-L244 PolarHBondContact O-N 3.36Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-I247 HydrophobicContact CD2-CD1 3.94Å; L244-I247 WeakPolarHBondContact O-CG1 3.4Å
245	M	94.5	Very high	93.2	Very high	94 Å²	94	39.2 Å²	39.2	46%	0.463	20%	0.202	S	C	.	.	H	α-helix	trans	-74.7	-17.2	176	-70.1	177.1	72.2	0	0	114.2	F227 V241 Y242 Y243	F227-M245 HydrophobicContact CD1-CG 4.07Å; F227-M245 HydrophobicContact CD2-CE 4.36Å; F227-M245 HydrophobicContact CD2-CG 3.97Å; F227-M245 HydrophobicContact CE1-CG 4.15Å; F227-M245 HydrophobicContact CE2-CB 4.28Å; F227-M245 HydrophobicContact CE2-CG 4.07Å; F227-M245 HydrophobicContact CG-CG 3.97Å; F227-M245 HydrophobicContact CZ-CB 4.28Å; F227-M245 HydrophobicContact CZ-CG 4.16Å; V241-M245 HydrophobicContact CG1-CG 4.43Å; V241-M245 HydrophobicContact CG1-SD 3.77Å; V241-M245 VanDerWaalsContact O-CG 3.28Å; V241-M245 WeakPolarHBondContact O-CG 3.36Å; V241-M245 PolarHBondContact O-N 3.04Å; Y242-M245 PolarHBondContact O-N 3.49Å; Y243-M245 PolarHBondContact O-N 2.96Å
246	N	92.8	Very high	93.4	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-108.2	-7	-176.8	-73.1	-81	0	0	0	113.9	Y242 Y243 L244 E383 R384	Y242-N246 WeakPolarHBondContact CD2-ND2 3.44Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.29Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.25Å; Y242-N246 PolarHBondContact O-N 3.18Å; Y242-N246 PolarHBondContact O-ND2 3.48Å; Y243-N246 PolarHBondContact O-N 2.93Å; L244-N246 VanDerWaalsContact C-N 3.31Å; N246-E383 CarbonylContact O-C 3.55Å; N246-E383 VanDerWaalsContact O-C 3.25Å; N246-R384 VanDerWaalsContact O-CA 3.3Å; N246-R384 WeakPolarHBondContact O-CA 3.31Å; N246-R384 PolarHBondContact O-N 3.22Å
247	I	90.6	Very high	93.6	Very high	22 Å²	22	36.1 Å²	36.1	11%	0.113	19%	0.19	C	C	.	.			trans	-86.3	145.2	175.8	61	171.8	0	0	0	111.6	K59 Y243 L244 E383	K59-I247 HydrophobicContact CD-CG2 4.29Å; Y243-I247 HydrophobicContact CD1-CG2 4.2Å; Y243-I247 HydrophobicContact CD2-CG2 4.42Å; Y243-I247 HydrophobicContact CE1-CD1 4.42Å; Y243-I247 HydrophobicContact CE1-CG2 3.7Å; Y243-I247 HydrophobicContact CE2-CG2 3.95Å; Y243-I247 PolarHBondContact O-N 3.49Å; L244-I247 HydrophobicContact CD2-CD1 3.94Å; L244-I247 WeakPolarHBondContact O-CG1 3.4Å; I247-E383 HydrophobicContact CG2-CB 4.18Å; I247-E383 HydrophobicContact CG2-CG 4.33Å
248	H	84.1	Confident	93.6	Very high	30 Å²	30	36.3 Å²	36.3	14%	0.139	19%	0.19	C	C	.	.			trans	-136.3	161.9	168.2	68.7	90.2	0	0	0	111.6	Y55 H250 R252 E383 R384 Q385	Y55-H248 PolarHBondContact OH-O 3.49Å; H248-H250 WeakPolarHBondContact ND1-CB 3.38Å; H248-H250 AromaticContact ND1-CD2 3.63Å; H248-H250 AromaticContact ND1-CG 3.89Å; H248-H250 PolarHBondContact ND1-N 3.18Å; H248-R252 VanDerWaalsContact CE1-CZ 3.44Å; H248-R252 PolarHBondContact CE1-NH1 3.03Å; H248-R252 PolarHBondContact ND1-NH1 3.11Å; H248-R252 VanDerWaalsContact NE2-CZ 3.34Å; H248-R252 PolarHBondContact NE2-NH1 2.84Å; H248-R252 PolarHBondContact O-NH1 2.9Å; H248-E383 PolarHBondContact CD2-O 2.93Å; H248-E383 PolarHBondContact NE2-O 2.82Å; H248-R384 PolarHBondContact CD2-O 2.91Å; H248-R384 PolarHBondContact NE2-O 2.93Å; H248-Q385 PolarHBondContact NE2-O 3.24Å; H248-Q385 VanDerWaalsContact NE2-O 3.13Å
249	V	78.8	Confident	93.7	Very high	65 Å²	65	34 Å²	34	39%	0.394	17%	0.174	S	C	.	.			trans	-97.9	-5.7	-178.6	-55.1	0	0	0	0	113.9	Y55 V223	Y55-V249 HydrophobicContact CD1-CG1 4.41Å; Y55-V249 HydrophobicContact CE1-CG1 3.98Å; V223-V249 HydrophobicContact CB-CG2 4.47Å; V223-V249 HydrophobicContact CG1-CB 3.98Å; V223-V249 HydrophobicContact CG1-CG1 3.45Å; V223-V249 VanDerWaalsContact CG1-CG1 3.45Å; V223-V249 HydrophobicContact CG1-CG2 3.36Å
250	H	81.2	Confident	93.8	Very high	133 Å²	133	32.1 Å²	32.1	62%	0.616	17%	0.166	S	C	*	.	S	Bend	trans	-56.5	131.7	179.6	-56.7	-64.3	0	0	0	111.4	H248 R252	H248-H250 WeakPolarHBondContact ND1-CB 3.38Å; H248-H250 AromaticContact ND1-CD2 3.63Å; H248-H250 AromaticContact ND1-CG 3.89Å; H248-H250 PolarHBondContact ND1-N 3.18Å; H250-R252 PolarHBondContact O-N 2.9Å; H250-R252 PolarHBondContact O-NH1 3.01Å
251	P	84.8	Confident	93.9	Very high	129 Å²	129	32.2 Å²	32.2	84%	0.838	17%	0.166	S	C	*	.			trans	-56	137.3	173.8	-24.5	33.9	0	0	0	111
252	R	92.1	Very high	94	Very high	11 Å²	11	31.6 Å²	31.6	4%	0.042	16%	0.162	C	C	.	.			trans	-159.8	166.1	179.9	61.4	-179.5	-179.4	-82.3	20	110.5	H248 H250 L382 E383 Q385 G386 P427	H248-R252 VanDerWaalsContact CE1-CZ 3.44Å; H248-R252 PolarHBondContact CE1-NH1 3.03Å; H248-R252 PolarHBondContact ND1-NH1 3.11Å; H248-R252 VanDerWaalsContact NE2-CZ 3.34Å; H248-R252 PolarHBondContact NE2-NH1 2.84Å; H248-R252 PolarHBondContact O-NH1 2.9Å; H250-R252 PolarHBondContact O-N 2.9Å; H250-R252 PolarHBondContact O-NH1 3.01Å; R252-L382 PolarHBondContact NH2-O 2.77Å; R252-E383 PolarHBondContact NH2-O 2.94Å; R252-E383 IonicContact NH2-OE2 3.91Å; R252-E383 PolarHBondContact NH2-OE2 3.25Å; R252-Q385 WeakPolarHBondContact CD-O 3.49Å; R252-Q385 PolarHBondContact NE-O 3.06Å; R252-Q385 VanDerWaalsContact NE-O 3.15Å; R252-G386 WeakPolarHBondContact CD-O 3.32Å; R252-P427 HydrophobicContact CG-CG 4.5Å; R252-P427 WeakPolarHBondContact O-CD 3.45Å
253	T	96.3	Very high	94.1	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.153	16%	0.162	C	C	.	.			trans	-123.8	132.6	175.3	-56.8	0	0	0	0	110.9	Y255 N387 I388 K424 L425	T253-Y255 HydrophobicContact CG2-CD2 4.02Å; T253-Y255 HydrophobicContact CG2-CE1 4.1Å; T253-Y255 HydrophobicContact CG2-CE2 3.4Å; T253-Y255 VanDerWaalsContact CG2-CZ 3.46Å; T253-N387 PolarHBondContact N-OD1 2.79Å; T253-N387 WeakPolarHBondContact O-CA 3.48Å; T253-I388 PolarHBondContact O-N 3.46Å; T253-K424 HydrophobicContact CG2-CD 4.28Å; T253-K424 HydrophobicContact CG2-CG 3.51Å; T253-L425 WeakPolarHBondContact CA-O 3.44Å
254	I	98.1	Very high	94.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.5	175.3	-58.8	168.6	0	0	0	107.6	L256 L382 I388 F404 L425	I254-L256 HydrophobicContact CG2-CD2 3.91Å; I254-L256 HydrophobicContact CG2-CG 4.31Å; I254-L382 HydrophobicContact CD1-CB 4.49Å; I254-L382 HydrophobicContact CG2-CD2 4.28Å; I254-I388 CarbonylContact C-O 3.53Å; I254-I388 WeakPolarHBondContact CA-O 3.34Å; I254-F404 HydrophobicContact CD1-CE1 3.6Å; I254-F404 HydrophobicContact CD1-CE2 4.32Å; I254-F404 HydrophobicContact CD1-CZ 3.49Å; I254-F404 VanDerWaalsContact CD1-CZ 3.49Å; I254-L425 HydrophobicContact CB-CB 4.17Å; I254-L425 HydrophobicContact CG2-CD1 4.47Å; I254-L425 PolarHBondContact N-O 3.47Å; I254-L425 WeakPolarHBondContact O-CA 3.41Å; I254-L425 VanDerWaalsContact O-CB 3.29Å; I254-L425 WeakPolarHBondContact O-CB 3.46Å; I254-L425 PolarHBondContact O-N 2.99Å
255	Y	98.8	Very high	94.3	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.1	175.8	-60.3	-94.7	0	0	0	108.6	T253 F290 I296 L299 I388 L389 V390 I422 F423 K424	T253-Y255 HydrophobicContact CG2-CD2 4.02Å; T253-Y255 HydrophobicContact CG2-CE1 4.1Å; T253-Y255 HydrophobicContact CG2-CE2 3.4Å; T253-Y255 VanDerWaalsContact CG2-CZ 3.46Å; Y255-F290 HydrophobicContact CD1-CE1 4.26Å; Y255-F290 HydrophobicContact CE1-CE1 4.09Å; Y255-F290 HydrophobicContact CE1-CZ 4.08Å; Y255-I296 HydrophobicContact CD2-CD1 4.25Å; Y255-I296 HydrophobicContact CE1-CD1 4.32Å; Y255-I296 HydrophobicContact CE2-CD1 3.44Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.44Å; Y255-I296 HydrophobicContact CE2-CG1 4.32Å; Y255-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.47Å; Y255-L299 HydrophobicContact CD2-CD1 4.43Å; Y255-I388 PolarHBondContact N-O 3.4Å; Y255-L389 CarbonylContact O-C 3.29Å; Y255-L389 WeakPolarHBondContact O-CA 3.3Å; Y255-V390 PolarHBondContact O-N 3.46Å; Y255-I422 HydrophobicContact CD1-CG2 3.83Å; Y255-F423 WeakPolarHBondContact CA-O 3.31Å; Y255-K424 HydrophobicContact CD1-CB 4.11Å; Y255-K424 HydrophobicContact CD1-CG 4.18Å; Y255-K424 HydrophobicContact CE1-CB 4.07Å; Y255-K424 HydrophobicContact CE1-CD 3.94Å; Y255-K424 HydrophobicContact CE1-CG 3.73Å
256	L	98.9	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.8	173.3	-56.3	-177.2	0	0	0	108.9	I254 V390 M397 L400 L401 F423 L425	I254-L256 HydrophobicContact CG2-CD2 3.91Å; I254-L256 HydrophobicContact CG2-CG 4.31Å; L256-V390 HydrophobicContact CD2-CB 3.69Å; L256-V390 HydrophobicContact CD2-CG2 3.86Å; L256-M397 HydrophobicContact CB-CE 3.81Å; L256-M397 HydrophobicContact CB-CG 4.33Å; L256-M397 HydrophobicContact CB-SD 4.46Å; L256-M397 VanDerWaalsContact O-CE 3.32Å; L256-M397 WeakPolarHBondContact O-CE 2.88Å; L256-L400 HydrophobicContact CD1-CB 3.96Å; L256-L400 HydrophobicContact CD2-CD1 4.18Å; L256-L401 HydrophobicContact CD1-CD2 3.92Å; L256-L401 HydrophobicContact CD1-CG 3.96Å; L256-F423 HydrophobicContact CB-CB 4.32Å; L256-F423 PolarHBondContact N-O 3.18Å; L256-F423 PolarHBondContact O-N 3.38Å; L256-L425 HydrophobicContact CD1-CD1 3.61Å; L256-L425 HydrophobicContact CG-CD1 3.97Å
257	C	98.8	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.4	166.9	68.6	0	0	0	0	110.2	F283 V390 I391 S392 I422	C257-F283 HydrophobicContact CB-CZ 4.47Å; C257-V390 PolarHBondContact N-O 3.37Å; C257-V390 VanDerWaalsContact N-O 3.09Å; C257-V390 VanDerWaalsContact O-O 3.11Å; C257-I391 WeakPolarHBondContact O-CA 3.42Å; C257-S392 PolarHBondContact O-N 2.91Å; C257-I422 HydrophobicContact CB-CG1 4.43Å
258	R	98.8	Very high	95.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	164.2	168.3	-68.9	168.6	59.9	-173.2	-0.9	109.4	S392 M397 C417 L419 T446	R258-S392 CarbonylContact C-O 3.56Å; R258-S392 WeakPolarHBondContact CA-O 3.34Å; R258-M397 HydrophobicContact CG-SD 3.88Å; R258-C417 WeakPolarHBondContact CD-O 3.49Å; R258-C417 PolarHBondContact NH1-O 3.19Å; R258-L419 HydrophobicContact CB-CD2 4.15Å; R258-L419 VanDerWaalsContact CZ-CD2 3.48Å; R258-T446 PolarHBondContact NH1-OG1 3.06Å; R258-T446 PolarHBondContact NH2-OG1 3.46Å
259	H	98.8	Very high	95.8	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.014	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-48.6	155.9	158	58.5	80	0	0	0	111.4	N265 R308 T309 S392 H393 L419	H259-N265 PolarHBondContact CE1-OD1 3.26Å; H259-R308 HydrophobicContact CB-CB 3.93Å; H259-R308 HydrophobicContact CB-CG 3.9Å; H259-R308 WeakPolarHBondContact CB-O 3.39Å; H259-R308 VanDerWaalsContact CD2-CD 3.48Å; H259-R308 WeakPolarHBondContact CD2-CD 3.28Å; H259-R308 PolarHBondContact CD2-NE 3.47Å; H259-R308 WeakPolarHBondContact NE2-CD 3.04Å; H259-R308 PolarHBondContact NE2-NE 2.83Å; H259-T309 HydrophobicContact CB-CG2 3.9Å; H259-S392 PolarHBondContact CD2-O 2.95Å; H259-S392 VanDerWaalsContact CD2-O 3.26Å; H259-S392 PolarHBondContact N-O 3.46Å; H259-H393 AromaticContact CD2-CE1 3.85Å; H259-H393 AromaticContact CD2-ND1 3.25Å; H259-H393 PolarHBondContact CD2-ND1 3.33Å; H259-H393 AromaticContact NE2-ND1 3.58Å; H259-L419 WeakPolarHBondContact O-CD2 3.38Å
260	G	98.7	Very high	96.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-57.6	157.8	166.4	0	0	0	0	0	111.6	S262 L276 T312	G260-S262 PolarHBondContact O-N 3.07Å; G260-L276 WeakPolarHBondContact O-CD2 3.44Å; G260-T312 PolarHBondContact N-OG1 3.07Å; G260-T312 VanDerWaalsContact N-OG1 3.07Å
261	E	98.9	Very high	97.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-47	132.3	177.5	-177.3	-177.2	-105.7	0	0	111.6	N265 L266 L276 S277 R279 G280 L419 H420 A443 V444	E261-N265 HydrophobicContact CG-CB 4.16Å; E261-L266 HydrophobicContact CG-CD2 4.38Å; E261-L266 HydrophobicContact CG-CG 4.4Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.26Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; E261-S277 PolarHBondContact O-N 2.88Å; E261-S277 PolarHBondContact O-OG 2.79Å; E261-S277 PolarHBondContact OE2-OG 3.09Å; E261-R279 VanDerWaalsContact CD-NH2 3.32Å; E261-R279 IonicContact OE1-CZ 3.44Å; E261-R279 IonicContact OE1-NE 3.62Å; E261-R279 IonicContact OE1-NH2 2.68Å; E261-R279 PolarHBondContact OE1-NH2 2.85Å; E261-R279 IonicContact OE2-CZ 3.47Å; E261-R279 IonicContact OE2-NE 2.89Å; E261-R279 PolarHBondContact OE2-NE 3.46Å; E261-R279 IonicContact OE2-NH2 3.21Å; E261-R279 PolarHBondContact OE2-NH2 3.08Å; E261-G280 WeakPolarHBondContact O-CA 3.4Å; E261-L419 HydrophobicContact CB-CD1 4.13Å; E261-L419 HydrophobicContact CG-CD1 4.19Å; E261-H420 PolarHBondContact N-NE2 2.99Å; E261-A443 WeakPolarHBondContact OE1-CA 3.42Å; E261-V444 PolarHBondContact OE1-N 2.89Å
262	S	98.8	Very high	98	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-107.9	163.4	180	68.2	0	0	0	0	112.1	G260 F264 N265 L266 G275	G260-S262 PolarHBondContact O-N 3.07Å; S262-F264 VanDerWaalsContact C-N 3.25Å; S262-F264 PolarHBondContact O-N 3.07Å; S262-N265 WeakPolarHBondContact CB-OD1 3.35Å; S262-N265 PolarHBondContact N-OD1 2.94Å; S262-N265 WeakPolarHBondContact O-CB 3.18Å; S262-N265 PolarHBondContact O-N 3.39Å; S262-N265 PolarHBondContact OG-N 3.36Å; S262-N265 PolarHBondContact OG-OD1 3.39Å; S262-L266 PolarHBondContact O-N 2.82Å; S262-G275 VanDerWaalsContact CA-O 3.29Å; S262-G275 WeakPolarHBondContact CA-O 3.41Å; S262-G275 VanDerWaalsContact CB-O 3.27Å; S262-G275 WeakPolarHBondContact CB-O 3.46Å
263	E	98.8	Very high	98.3	Very high	87 Å²	87	28.8 Å²	28.8	41%	0.407	16%	0.162	S	C	.	.	H	α-helix	trans	-56.4	-39.3	176.3	-62.3	-59.3	152.9	0	0	112.1	N265 L266 L267 G275 S277	E263-N265 VanDerWaalsContact C-N 3.29Å; E263-N265 PolarHBondContact O-N 3.31Å; E263-L266 WeakPolarHBondContact O-CB 3.33Å; E263-L266 PolarHBondContact O-N 2.75Å; E263-L267 WeakPolarHBondContact O-CG 3.25Å; E263-L267 PolarHBondContact O-N 2.68Å; E263-L267 VanDerWaalsContact O-N 3.16Å; E263-G275 PolarHBondContact N-O 3.48Å; E263-G275 VanDerWaalsContact N-O 3.11Å; E263-S277 WeakPolarHBondContact OE1-CA 3.4Å
264	F	98.7	Very high	98.4	Very high	33 Å²	33	28.4 Å²	28.4	15%	0.145	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-26.5	176.2	-83.4	16.1	0	0	0	113.2	S262 L267 G268 K269 S274 E336	S262-F264 VanDerWaalsContact C-N 3.25Å; S262-F264 PolarHBondContact O-N 3.07Å; F264-L267 HydrophobicContact CD1-CD1 4.38Å; F264-L267 CarbonylContact O-C 3.58Å; F264-L267 PolarHBondContact O-N 3.2Å; F264-G268 PolarHBondContact O-N 2.97Å; F264-K269 HydrophobicContact CB-CB 3.99Å; F264-K269 HydrophobicContact CD1-CB 4.45Å; F264-K269 HydrophobicContact CD1-CD 4.19Å; F264-K269 HydrophobicContact CD2-CB 3.93Å; F264-K269 HydrophobicContact CE1-CD 4.15Å; F264-K269 HydrophobicContact CG-CB 3.89Å; F264-K269 HydrophobicContact CG-CD 4.42Å; F264-K269 HydrophobicContact CZ-CD 4.33Å; F264-K269 PolarHBondContact O-N 3.26Å; F264-S274 WeakPolarHBondContact CB-OG 2.95Å; F264-S274 PolarHBondContact N-OG 3.34Å; F264-E336 HydrophobicContact CE2-CB 3.82Å; F264-E336 HydrophobicContact CE2-CG 3.83Å; F264-E336 HydrophobicContact CZ-CB 4.18Å; F264-E336 HydrophobicContact CZ-CG 4.3Å
265	N	98.6	Very high	98.4	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-44.4	172.3	-56	135.5	0	0	0	110.9	H259 E261 S262 E263 L267 G268 L419 V444 T446	H259-N265 PolarHBondContact CE1-OD1 3.26Å; E261-N265 HydrophobicContact CG-CB 4.16Å; S262-N265 WeakPolarHBondContact CB-OD1 3.35Å; S262-N265 PolarHBondContact N-OD1 2.94Å; S262-N265 WeakPolarHBondContact O-CB 3.18Å; S262-N265 PolarHBondContact O-N 3.39Å; S262-N265 PolarHBondContact OG-N 3.36Å; S262-N265 PolarHBondContact OG-OD1 3.39Å; E263-N265 VanDerWaalsContact C-N 3.29Å; E263-N265 PolarHBondContact O-N 3.31Å; N265-L267 PolarHBondContact O-N 3.21Å; N265-G268 PolarHBondContact O-N 3.32Å; N265-L419 HydrophobicContact CB-CD1 4.26Å; N265-V444 HydrophobicContact CB-CG2 3.81Å; N265-T446 HydrophobicContact CB-CG2 4.23Å
266	L	98.6	Very high	98.4	Very high	78 Å²	78	29.2 Å²	29.2	41%	0.408	17%	0.168	S	C	.	.	H	α-helix	trans	-58.3	-37	175.7	-67.8	177.3	0	0	0	112.2	E261 S262 E263 G268 V444	E261-L266 HydrophobicContact CG-CD2 4.38Å; E261-L266 HydrophobicContact CG-CG 4.4Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.26Å; S262-L266 PolarHBondContact O-N 2.82Å; E263-L266 WeakPolarHBondContact O-CB 3.33Å; E263-L266 PolarHBondContact O-N 2.75Å; L266-G268 VanDerWaalsContact C-N 3.33Å; L266-V444 HydrophobicContact CD2-CG1 3.94Å
267	L	98.3	Very high	98.4	Very high	107 Å²	107	29.3 Å²	29.3	56%	0.56	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.6	178.1	-61.4	175.3	0	0	0	114	E263 F264 N265 K269 T338	E263-L267 WeakPolarHBondContact O-CG 3.25Å; E263-L267 PolarHBondContact O-N 2.68Å; E263-L267 VanDerWaalsContact O-N 3.16Å; F264-L267 HydrophobicContact CD1-CD1 4.38Å; F264-L267 CarbonylContact O-C 3.58Å; F264-L267 PolarHBondContact O-N 3.2Å; N265-L267 PolarHBondContact O-N 3.21Å; L267-K269 HydrophobicContact CB-CD 4.19Å; L267-K269 HydrophobicContact CB-CG 4.11Å; L267-K269 HydrophobicContact CD1-CD 4.3Å; L267-K269 PolarHBondContact O-N 2.99Å; L267-T338 WeakPolarHBondContact O-CG2 3.28Å
268	G	97.9	Very high	98.4	Very high	41 Å²	41	34.3 Å²	34.3	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	20.2	-175.8	0	0	0	0	0	114.7	F264 N265 L266 T338	F264-G268 PolarHBondContact O-N 2.97Å; N265-G268 PolarHBondContact O-N 3.32Å; L266-G268 VanDerWaalsContact C-N 3.33Å; G268-T338 WeakPolarHBondContact O-CA 3.32Å
269	K	98.5	Very high	98.4	Very high	60 Å²	60	37.7 Å²	37.7	26%	0.261	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-87.9	143.2	179.9	-70.1	179.3	167.1	-125	0	111.7	F264 L267 E336 M337 T338	F264-K269 HydrophobicContact CB-CB 3.99Å; F264-K269 HydrophobicContact CD1-CB 4.45Å; F264-K269 HydrophobicContact CD1-CD 4.19Å; F264-K269 HydrophobicContact CD2-CB 3.93Å; F264-K269 HydrophobicContact CE1-CD 4.15Å; F264-K269 HydrophobicContact CG-CB 3.89Å; F264-K269 HydrophobicContact CG-CD 4.42Å; F264-K269 HydrophobicContact CZ-CD 4.33Å; F264-K269 PolarHBondContact O-N 3.26Å; L267-K269 HydrophobicContact CB-CD 4.19Å; L267-K269 HydrophobicContact CB-CG 4.11Å; L267-K269 HydrophobicContact CD1-CD 4.3Å; L267-K269 PolarHBondContact O-N 2.99Å; K269-E336 VanDerWaalsContact CD-O 3.31Å; K269-E336 WeakPolarHBondContact CD-O 3.48Å; K269-E336 WeakPolarHBondContact CE-O 3.42Å; K269-E336 PolarHBondContact NZ-O 2.85Å; K269-M337 CarbonylContact C-O 3.59Å; K269-M337 WeakPolarHBondContact CA-O 3.38Å; K269-T338 HydrophobicContact CG-CG2 3.88Å
270	I	97.9	Very high	98.4	Very high	24 Å²	24	37.6 Å²	37.6	12%	0.123	21%	0.212	C	C	.	.			trans	-95.7	157	175.6	71.4	172.7	0	0	0	111.6	A331 C334 E336 M337 Y339 I342	I270-A331 HydrophobicContact CD1-CB 3.66Å; I270-A331 HydrophobicContact CG1-CB 4.24Å; I270-C334 HydrophobicContact CD1-CB 4.43Å; I270-C334 WeakPolarHBondContact CG1-O 3.47Å; I270-E336 VanDerWaalsContact O-CA 3.31Å; I270-E336 WeakPolarHBondContact O-CA 3.45Å; I270-E336 PolarHBondContact O-N 2.85Å; I270-M337 WeakPolarHBondContact CG1-O 3.41Å; I270-M337 PolarHBondContact N-O 2.92Å; I270-Y339 HydrophobicContact CG2-CD2 4.32Å; I270-Y339 HydrophobicContact CG2-CE1 4.29Å; I270-Y339 HydrophobicContact CG2-CE2 3.77Å; I270-I342 HydrophobicContact CD1-CD1 3.54Å; I270-I342 HydrophobicContact CG1-CD1 4.25Å
271	G	96.6	Very high	98.4	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	24%	0.235	C	C	.	.	S	Bend	trans	69.8	-146.2	175.6	0	0	0	0	0	114.1	E335	G271-E335 WeakPolarHBondContact CA-OE2 3.17Å
272	G	97.1	Very high	98.4	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	26%	0.257	C	S	.	.	S	Bend	trans	66.7	-173.4	177.4	0	0	0	0	0	114.8	R308 E335	G272-R308 PolarHBondContact O-NH1 2.96Å; G272-E335 PolarHBondContact N-OE2 3.18Å
273	D	98.4	Very high	98.4	Very high	83 Å²	83	47.5 Å²	47.5	44%	0.444	26%	0.256	S	S	.	.			trans	-130.5	38.9	-179.9	-165	32.2	0	0	0	112.7	L306 K307	D273-L306 HydrophobicContact CB-CD2 4.47Å; D273-L306 VanDerWaalsContact OD1-CA 3.32Å; D273-L306 WeakPolarHBondContact OD1-CA 3.44Å; D273-L306 WeakPolarHBondContact OD1-CB 3.21Å; D273-K307 WeakPolarHBondContact OD1-CB 3.5Å; D273-K307 PolarHBondContact OD1-N 3.39Å
274	S	98.4	Very high	98.4	Very high	16 Å²	16	43.4 Å²	43.4	11%	0.112	24%	0.237	C	C	.	.			trans	-64.5	149	176.5	68.8	0	0	0	0	112	F264	F264-S274 WeakPolarHBondContact CB-OG 2.95Å; F264-S274 PolarHBondContact N-OG 3.34Å
275	G	98.5	Very high	98.4	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.256	C	S	.	.			trans	-76.5	178.2	173.7	0	0	0	0	0	113.9	S262 E263 Q311	S262-G275 VanDerWaalsContact CA-O 3.29Å; S262-G275 WeakPolarHBondContact CA-O 3.41Å; S262-G275 VanDerWaalsContact CB-O 3.27Å; S262-G275 WeakPolarHBondContact CB-O 3.46Å; E263-G275 PolarHBondContact N-O 3.48Å; E263-G275 VanDerWaalsContact N-O 3.11Å; G275-Q311 VanDerWaalsContact CA-OE1 3.31Å
276	L	98.8	Very high	98.4	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-67.1	140.9	174.9	-63.7	-178.1	0	0	0	112.4	G260 E261 K281 R308 Q311	G260-L276 WeakPolarHBondContact O-CD2 3.44Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; L276-K281 HydrophobicContact CB-CG 4.01Å; L276-K281 HydrophobicContact CD1-CG 4.27Å; L276-R308 HydrophobicContact CD2-CB 4.06Å; L276-Q311 HydrophobicContact CD1-CB 3.62Å; L276-Q311 HydrophobicContact CG-CB 3.86Å
277	S	98.8	Very high	98.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	24%	0.242	C	C	.	.			trans	-69	173.2	164	82.6	0	0	0	0	111	E261 E263 R279 G280 K281	E261-S277 PolarHBondContact O-N 2.88Å; E261-S277 PolarHBondContact O-OG 2.79Å; E261-S277 PolarHBondContact OE2-OG 3.09Å; E263-S277 WeakPolarHBondContact OE1-CA 3.4Å; S277-R279 VanDerWaalsContact C-N 3.28Å; S277-R279 PolarHBondContact O-N 3.06Å; S277-R279 PolarHBondContact OG-N 3.13Å; S277-G280 PolarHBondContact O-N 3.23Å; S277-G280 PolarHBondContact OG-N 3.32Å; S277-G280 VanDerWaalsContact OG-N 3.07Å; S277-K281 WeakPolarHBondContact O-CG 3.22Å; S277-K281 PolarHBondContact O-N 2.89Å
278	V	98.6	Very high	98.4	Very high	105 Å²	105	42.2 Å²	42.2	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-57.7	-43.1	172.8	179.9	0	0	0	0	111	K281 Q282	V278-K281 PolarHBondContact O-N 3.4Å; V278-Q282 WeakPolarHBondContact O-CG 3.16Å; V278-Q282 PolarHBondContact O-N 3.3Å; V278-Q282 VanDerWaalsContact O-N 3.12Å
279	R	98.6	Very high	98.4	Very high	75 Å²	75	46.2 Å²	46.2	28%	0.283	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-36	176.1	-62.5	-168.3	-63.3	-171.7	-2.9	112	E261 S277 K281 Q282 F283 V441 D442	E261-R279 VanDerWaalsContact CD-NH2 3.32Å; E261-R279 IonicContact OE1-CZ 3.44Å; E261-R279 IonicContact OE1-NE 3.62Å; E261-R279 IonicContact OE1-NH2 2.68Å; E261-R279 PolarHBondContact OE1-NH2 2.85Å; E261-R279 IonicContact OE2-CZ 3.47Å; E261-R279 IonicContact OE2-NE 2.89Å; E261-R279 PolarHBondContact OE2-NE 3.46Å; E261-R279 IonicContact OE2-NH2 3.21Å; E261-R279 PolarHBondContact OE2-NH2 3.08Å; S277-R279 VanDerWaalsContact C-N 3.28Å; S277-R279 PolarHBondContact O-N 3.06Å; S277-R279 PolarHBondContact OG-N 3.13Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 3.29Å; R279-Q282 WeakPolarHBondContact O-CB 3.46Å; R279-Q282 PolarHBondContact O-N 2.82Å; R279-F283 PolarHBondContact O-N 2.87Å; R279-V441 HydrophobicContact CB-CG1 4.21Å; R279-V441 WeakPolarHBondContact O-CG1 3.24Å; R279-D442 WeakPolarHBondContact CD-O 3.33Å; R279-D442 PolarHBondContact NE-O 3.45Å
280	G	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-38.5	173.6	0	0	0	0	0	113.3	E261 S277 F283 A284	E261-G280 WeakPolarHBondContact O-CA 3.4Å; S277-G280 PolarHBondContact O-N 3.23Å; S277-G280 PolarHBondContact OG-N 3.32Å; S277-G280 VanDerWaalsContact OG-N 3.07Å; G280-F283 PolarHBondContact O-N 3.34Å; G280-A284 PolarHBondContact O-N 3.13Å
281	K	98.8	Very high	98.3	Very high	110 Å²	110	43.9 Å²	43.9	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-67.9	-40	173.6	-65.6	175.2	-173.3	176.3	0	112.1	L276 S277 V278 R279 F283 A284 H285	L276-K281 HydrophobicContact CB-CG 4.01Å; L276-K281 HydrophobicContact CD1-CG 4.27Å; S277-K281 WeakPolarHBondContact O-CG 3.22Å; S277-K281 PolarHBondContact O-N 2.89Å; V278-K281 PolarHBondContact O-N 3.4Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 3.29Å; K281-F283 VanDerWaalsContact C-N 3.32Å; K281-F283 PolarHBondContact O-N 3.15Å; K281-A284 WeakPolarHBondContact O-CB 3.44Å; K281-A284 PolarHBondContact O-N 3.49Å; K281-H285 PolarHBondContact O-CD2 3.25Å; K281-H285 PolarHBondContact O-N 3.32Å; K281-H285 VanDerWaalsContact O-N 3.09Å
282	Q	98.7	Very high	98.3	Very high	102 Å²	102	48.6 Å²	48.6	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-42.7	173.6	-69.6	170.6	-15	0	0	111.5	V278 R279 A284 H285 A286 V441	V278-Q282 WeakPolarHBondContact O-CG 3.16Å; V278-Q282 PolarHBondContact O-N 3.3Å; V278-Q282 VanDerWaalsContact O-N 3.12Å; R279-Q282 WeakPolarHBondContact O-CB 3.46Å; R279-Q282 PolarHBondContact O-N 2.82Å; Q282-A284 VanDerWaalsContact C-N 3.34Å; Q282-A284 PolarHBondContact O-N 3.35Å; Q282-H285 PolarHBondContact O-N 2.97Å; Q282-A286 PolarHBondContact O-N 3.42Å; Q282-V441 HydrophobicContact CB-CG1 3.89Å; Q282-V441 HydrophobicContact CB-CG2 4.24Å
283	F	98.8	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-43.5	173.3	166.8	-101.7	0	0	0	111.9	C257 R279 G280 K281 H285 A286 L287 T312 H420 L439 V441	C257-F283 HydrophobicContact CB-CZ 4.47Å; R279-F283 PolarHBondContact O-N 2.87Å; G280-F283 PolarHBondContact O-N 3.34Å; K281-F283 VanDerWaalsContact C-N 3.32Å; K281-F283 PolarHBondContact O-N 3.15Å; F283-H285 VanDerWaalsContact C-N 3.3Å; F283-H285 PolarHBondContact O-N 3.34Å; F283-A286 CarbonylContact O-C 3.6Å; F283-A286 PolarHBondContact O-N 2.98Å; F283-A286 VanDerWaalsContact O-N 3.15Å; F283-L287 HydrophobicContact CE1-CD2 4.17Å; F283-L287 HydrophobicContact CZ-CB 4.42Å; F283-L287 HydrophobicContact CZ-CD2 4.17Å; F283-L287 WeakPolarHBondContact O-CB 3.47Å; F283-L287 PolarHBondContact O-N 3.17Å; F283-T312 HydrophobicContact CD1-CG2 4.23Å; F283-T312 HydrophobicContact CE1-CG2 3.96Å; F283-H420 VanDerWaalsContact CB-CD2 3.41Å; F283-H420 WeakPolarHBondContact CB-CD2 3.48Å; F283-H420 WeakPolarHBondContact CB-NE2 3.34Å; F283-H420 AromaticContact CD1-CD2 3.81Å; F283-H420 VanDerWaalsContact CD2-CA 3.47Å; F283-H420 HydrophobicContact CD2-CB 3.52Å; F283-H420 AromaticContact CD2-CD2 3.61Å; F283-H420 AromaticContact CD2-CG 3.6Å; F283-H420 HydrophobicContact CE2-CB 3.98Å; F283-H420 HydrophobicContact CG-CB 4.17Å; F283-H420 AromaticContact CG-CD2 3.29Å; F283-H420 WeakPolarHBondContact CG-CD2 3.48Å; F283-H420 AromaticContact CG-CG 3.72Å; F283-H420 AromaticContact CG-NE2 3.85Å; F283-L439 HydrophobicContact CD2-CB 4.17Å; F283-L439 HydrophobicContact CD2-CD1 3.78Å; F283-L439 HydrophobicContact CD2-CG 4.36Å; F283-L439 HydrophobicContact CE2-CB 4.3Å; F283-L439 HydrophobicContact CE2-CD1 3.46Å; F283-L439 VanDerWaalsContact CE2-CD1 3.46Å; F283-L439 HydrophobicContact CE2-CG 4.03Å; F283-L439 HydrophobicContact CZ-CD1 4.41Å; F283-V441 HydrophobicContact CB-CB 4.48Å; F283-V441 HydrophobicContact CB-CG1 4.36Å
284	A	98.7	Very high	98.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-38.7	178.9	0	0	0	0	0	112.2	G280 K281 Q282 L287 K288 T312 S315	G280-A284 PolarHBondContact O-N 3.13Å; K281-A284 WeakPolarHBondContact O-CB 3.44Å; K281-A284 PolarHBondContact O-N 3.49Å; Q282-A284 VanDerWaalsContact C-N 3.34Å; Q282-A284 PolarHBondContact O-N 3.35Å; A284-L287 PolarHBondContact O-N 3.35Å; A284-K288 PolarHBondContact O-N 3Å; A284-T312 HydrophobicContact CB-CG2 4.07Å; A284-S315 WeakPolarHBondContact CB-OG 3.46Å
285	H	98.5	Very high	97.9	Very high	116 Å²	116	60.7 Å²	60.7	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-68.8	-40.1	172.3	-67.5	-53	0	0	0	113.1	K281 Q282 F283 L287 K288 K289	K281-H285 PolarHBondContact O-CD2 3.25Å; K281-H285 PolarHBondContact O-N 3.32Å; K281-H285 VanDerWaalsContact O-N 3.09Å; Q282-H285 PolarHBondContact O-N 2.97Å; F283-H285 VanDerWaalsContact C-N 3.3Å; F283-H285 PolarHBondContact O-N 3.34Å; H285-L287 VanDerWaalsContact C-N 3.29Å; H285-L287 PolarHBondContact O-N 3.49Å; H285-K288 WeakPolarHBondContact O-CB 3.32Å; H285-K288 PolarHBondContact O-N 3.2Å; H285-K289 PolarHBondContact O-N 2.94Å; H285-K289 VanDerWaalsContact O-N 3.11Å
286	A	98.6	Very high	97.7	Very high	29 Å²	29	61.4 Å²	61.4	24%	0.24	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-37.5	174.6	0	0	0	0	0	111.6	Q282 F283 K289 F290 L439 V441	Q282-A286 PolarHBondContact O-N 3.42Å; F283-A286 CarbonylContact O-C 3.6Å; F283-A286 PolarHBondContact O-N 2.98Å; F283-A286 VanDerWaalsContact O-N 3.15Å; A286-K289 PolarHBondContact O-N 2.7Å; A286-F290 WeakPolarHBondContact O-CB 3.2Å; A286-F290 PolarHBondContact O-N 2.52Å; A286-L439 HydrophobicContact CB-CB 4.16Å; A286-L439 HydrophobicContact CB-CD1 3.96Å; A286-V441 HydrophobicContact CB-CG2 4.17Å
287	L	98.7	Very high	97.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-41.9	176.2	-179.2	61.8	0	0	0	111	F283 A284 H285 F290 L291 T312 L316 L389 I391 I422 L439	F283-L287 HydrophobicContact CE1-CD2 4.17Å; F283-L287 HydrophobicContact CZ-CB 4.42Å; F283-L287 HydrophobicContact CZ-CD2 4.17Å; F283-L287 WeakPolarHBondContact O-CB 3.47Å; F283-L287 PolarHBondContact O-N 3.17Å; A284-L287 PolarHBondContact O-N 3.35Å; H285-L287 VanDerWaalsContact C-N 3.29Å; H285-L287 PolarHBondContact O-N 3.49Å; L287-F290 HydrophobicContact CD1-CD1 4.34Å; L287-F290 PolarHBondContact O-N 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 3.41Å; L287-T312 HydrophobicContact CD2-CG2 4.03Å; L287-L316 HydrophobicContact CB-CD2 4.13Å; L287-L316 HydrophobicContact CD2-CD2 4.04Å; L287-L316 HydrophobicContact CG-CD2 3.81Å; L287-L389 HydrophobicContact CD2-CD2 4.42Å; L287-I391 HydrophobicContact CD2-CD1 4.14Å; L287-I422 HydrophobicContact CD1-CD1 3.48Å; L287-I422 VanDerWaalsContact CD1-CD1 3.48Å; L287-I422 HydrophobicContact CD1-CG1 4.06Å; L287-L439 HydrophobicContact CB-CD1 3.91Å; L287-L439 HydrophobicContact CD1-CD1 4.31Å
288	K	98.4	Very high	97.2	Very high	72 Å²	72	75.5 Å²	75.5	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-54.5	-54.2	171.9	-177.7	-172	-179.5	171.9	0	111	A284 H285 F290 L291 E292 S315 L316	A284-K288 PolarHBondContact O-N 3Å; H285-K288 WeakPolarHBondContact O-CB 3.32Å; H285-K288 PolarHBondContact O-N 3.2Å; K288-F290 VanDerWaalsContact C-N 3.3Å; K288-F290 PolarHBondContact O-N 3.3Å; K288-L291 PolarHBondContact O-N 2.9Å; K288-L291 VanDerWaalsContact O-N 3.09Å; K288-E292 WeakPolarHBondContact CE-OE1 3.31Å; K288-E292 IonicContact NZ-OE1 3.92Å; K288-E292 WeakPolarHBondContact O-CG 3.47Å; K288-E292 PolarHBondContact O-N 3.2Å; K288-S315 WeakPolarHBondContact CD-O 3.37Å; K288-L316 HydrophobicContact CB-CD2 4.02Å
289	K	97.9	Very high	97.2	Very high	124 Å²	124	72.5 Å²	72.5	54%	0.539	34%	0.342	S	S	.	.	H	α-helix	trans	-57.8	-43.7	-179.8	-177.6	178.6	172.6	-177.7	0	111.7	H285 A286 L291 E292 E293	H285-K289 PolarHBondContact O-N 2.94Å; H285-K289 VanDerWaalsContact O-N 3.11Å; A286-K289 PolarHBondContact O-N 2.7Å; K289-L291 PolarHBondContact O-N 2.97Å; K289-E292 PolarHBondContact O-N 3.02Å; K289-E293 WeakPolarHBondContact CE-OE1 3.01Å; K289-E293 IonicContact NZ-OE1 3.91Å; K289-E293 WeakPolarHBondContact O-CG 3.39Å; K289-E293 PolarHBondContact O-N 3.19Å
290	F	97.9	Very high	97.2	Very high	14 Å²	14	72.6 Å²	72.6	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-46.1	175.2	168.9	-96.3	0	0	0	112.1	Y255 A286 L287 K288 E293 Q294 I422 I437 L439	Y255-F290 HydrophobicContact CD1-CE1 4.26Å; Y255-F290 HydrophobicContact CE1-CE1 4.09Å; Y255-F290 HydrophobicContact CE1-CZ 4.08Å; A286-F290 WeakPolarHBondContact O-CB 3.2Å; A286-F290 PolarHBondContact O-N 2.52Å; L287-F290 HydrophobicContact CD1-CD1 4.34Å; L287-F290 PolarHBondContact O-N 3.27Å; K288-F290 VanDerWaalsContact C-N 3.3Å; K288-F290 PolarHBondContact O-N 3.3Å; F290-E293 PolarHBondContact O-N 2.91Å; F290-Q294 HydrophobicContact CD1-CG 4.31Å; F290-Q294 HydrophobicContact CD2-CG 4.19Å; F290-Q294 HydrophobicContact CE1-CG 3.82Å; F290-Q294 HydrophobicContact CE2-CG 3.67Å; F290-Q294 HydrophobicContact CG-CG 4.49Å; F290-Q294 HydrophobicContact CZ-CG 3.48Å; F290-Q294 VanDerWaalsContact CZ-CG 3.48Å; F290-Q294 VanDerWaalsContact O-CG 3.3Å; F290-Q294 WeakPolarHBondContact O-CG 3.49Å; F290-Q294 PolarHBondContact O-N 3.24Å; F290-I422 HydrophobicContact CD1-CD1 3.31Å; F290-I422 HydrophobicContact CD2-CD1 4.32Å; F290-I422 HydrophobicContact CE1-CD1 3.43Å; F290-I422 VanDerWaalsContact CE1-CD1 3.43Å; F290-I422 HydrophobicContact CE2-CD1 4.42Å; F290-I422 HydrophobicContact CG-CD1 3.78Å; F290-I422 HydrophobicContact CZ-CD1 4Å; F290-I437 HydrophobicContact CD2-CG2 4.27Å; F290-I437 HydrophobicContact CE2-CD1 3.73Å; F290-I437 HydrophobicContact CE2-CG2 3.89Å; F290-I437 HydrophobicContact CZ-CD1 3.61Å; F290-L439 HydrophobicContact CB-CD2 4.12Å; F290-L439 HydrophobicContact CD2-CD2 4.4Å; F290-L439 HydrophobicContact CG-CD2 4.32Å
291	L	96.9	Very high	97.2	Very high	21 Å²	21	72.7 Å²	72.7	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-38	179.8	-65.7	177.6	0	0	0	112.4	L287 K288 K289 E293 Q294 E295 I296 L299 L316 L389	L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 3.41Å; K288-L291 PolarHBondContact O-N 2.9Å; K288-L291 VanDerWaalsContact O-N 3.09Å; K289-L291 PolarHBondContact O-N 2.97Å; L291-E293 VanDerWaalsContact C-N 3.33Å; L291-Q294 PolarHBondContact O-N 3.42Å; L291-E295 PolarHBondContact O-N 3.27Å; L291-I296 HydrophobicContact CD2-CD1 4.09Å; L291-L299 HydrophobicContact CD1-CD2 4.1Å; L291-L299 HydrophobicContact CD2-CD2 3.76Å; L291-L299 HydrophobicContact CG-CD2 4.41Å; L291-L316 HydrophobicContact CD1-CD1 3.84Å; L291-L316 HydrophobicContact CD1-CD2 4.06Å; L291-L316 HydrophobicContact CD1-CG 4.43Å; L291-L389 HydrophobicContact CD1-CD2 3.76Å; L291-L389 HydrophobicContact CD2-CD2 4.34Å
292	E	96.4	Very high	97.2	Very high	116 Å²	116	67.6 Å²	67.6	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-42.2	173.8	-70.3	172.6	159.3	0	0	111.1	K288 K289 Q294 E295	K288-E292 WeakPolarHBondContact CE-OE1 3.31Å; K288-E292 IonicContact NZ-OE1 3.92Å; K288-E292 WeakPolarHBondContact O-CG 3.47Å; K288-E292 PolarHBondContact O-N 3.2Å; K289-E292 PolarHBondContact O-N 3.02Å; E292-Q294 PolarHBondContact O-N 2.98Å; E292-E295 WeakPolarHBondContact O-CG 3.2Å; E292-E295 PolarHBondContact O-N 2.99Å
293	E	96.3	Very high	97.2	Very high	122 Å²	122	62.7 Å²	62.7	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-69.9	-27.6	177.7	-72	171.3	175.6	0	0	113.9	K289 F290 L291	K289-E293 WeakPolarHBondContact CE-OE1 3.01Å; K289-E293 IonicContact NZ-OE1 3.91Å; K289-E293 WeakPolarHBondContact O-CG 3.39Å; K289-E293 PolarHBondContact O-N 3.19Å; F290-E293 PolarHBondContact O-N 2.91Å; L291-E293 VanDerWaalsContact C-N 3.33Å
294	Q	94.6	Very high	97.2	Very high	73 Å²	73	62.7 Å²	62.7	34%	0.341	30%	0.301	S	S	.	.	H	α-helix	trans	-81.7	-14.9	178.8	-67	-62.5	-74.2	0	0	113.4	F290 L291 E292 I296	F290-Q294 HydrophobicContact CD1-CG 4.31Å; F290-Q294 HydrophobicContact CD2-CG 4.19Å; F290-Q294 HydrophobicContact CE1-CG 3.82Å; F290-Q294 HydrophobicContact CE2-CG 3.67Å; F290-Q294 HydrophobicContact CG-CG 4.49Å; F290-Q294 HydrophobicContact CZ-CG 3.48Å; F290-Q294 VanDerWaalsContact CZ-CG 3.48Å; F290-Q294 VanDerWaalsContact O-CG 3.3Å; F290-Q294 WeakPolarHBondContact O-CG 3.49Å; F290-Q294 PolarHBondContact O-N 3.24Å; L291-Q294 PolarHBondContact O-N 3.42Å; E292-Q294 PolarHBondContact O-N 2.98Å; Q294-I296 HydrophobicContact CB-CD1 3.73Å; Q294-I296 HydrophobicContact CB-CG1 3.6Å; Q294-I296 HydrophobicContact CG-CD1 4.42Å; Q294-I296 PolarHBondContact O-N 3.33Å; Q294-I296 VanDerWaalsContact O-N 3.12Å
295	E	94.3	Very high	97.2	Very high	168 Å²	168	67 Å²	67	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	43.2	178.9	-60.8	-172.7	154.5	0	0	113.8	L291 E292 Q297	L291-E295 PolarHBondContact O-N 3.27Å; E292-E295 WeakPolarHBondContact O-CG 3.2Å; E292-E295 PolarHBondContact O-N 2.99Å; E295-Q297 PolarHBondContact O-N 3.18Å
296	I	94.6	Very high	97.2	Very high	32 Å²	32	62.8 Å²	62.8	16%	0.164	30%	0.302	C	S	.	.			trans	-74	114.5	-172.5	-54.8	155.7	0	0	0	109.9	Y255 L291 Q294 L299 N387	Y255-I296 HydrophobicContact CD2-CD1 4.25Å; Y255-I296 HydrophobicContact CE1-CD1 4.32Å; Y255-I296 HydrophobicContact CE2-CD1 3.44Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.44Å; Y255-I296 HydrophobicContact CE2-CG1 4.32Å; Y255-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.47Å; L291-I296 HydrophobicContact CD2-CD1 4.09Å; Q294-I296 HydrophobicContact CB-CD1 3.73Å; Q294-I296 HydrophobicContact CB-CG1 3.6Å; Q294-I296 HydrophobicContact CG-CD1 4.42Å; Q294-I296 PolarHBondContact O-N 3.33Å; Q294-I296 VanDerWaalsContact O-N 3.12Å; I296-L299 HydrophobicContact CB-CB 4.22Å; I296-L299 HydrophobicContact CD1-CD1 4.49Å; I296-L299 HydrophobicContact CD1-CD2 4.21Å; I296-L299 HydrophobicContact CG2-CB 4.01Å; I296-L299 HydrophobicContact CG2-CD1 4.17Å; I296-N387 HydrophobicContact CG2-CB 3.65Å
297	Q	93.9	Very high	97.2	Very high	158 Å²	158	66.4 Å²	66.4	74%	0.738	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	139.3	175.5	-63	-178.6	-4.1	0	0	111.6	E295 L299 N387	E295-Q297 PolarHBondContact O-N 3.18Å; Q297-L299 PolarHBondContact O-N 3.01Å; Q297-L299 VanDerWaalsContact O-N 3.13Å; Q297-N387 PolarHBondContact O-ND2 3.44Å
298	D	94.3	Very high	97.2	Very high	149 Å²	149	66.8 Å²	66.8	80%	0.797	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	35.3	176.1	-58.6	-37.7	0	0	0	114.6	K300	D298-K300 PolarHBondContact O-N 2.78Å
299	L	97.3	Very high	97.2	Very high	41 Å²	41	63.4 Å²	63.4	22%	0.215	30%	0.299	C	S	.	.			trans	-65	117.6	178.8	-179.2	66.8	0	0	0	111	Y255 L291 I296 Q297 V301 N387 L389	Y255-L299 HydrophobicContact CD2-CD1 4.43Å; L291-L299 HydrophobicContact CD1-CD2 4.1Å; L291-L299 HydrophobicContact CD2-CD2 3.76Å; L291-L299 HydrophobicContact CG-CD2 4.41Å; I296-L299 HydrophobicContact CB-CB 4.22Å; I296-L299 HydrophobicContact CD1-CD1 4.49Å; I296-L299 HydrophobicContact CD1-CD2 4.21Å; I296-L299 HydrophobicContact CG2-CB 4.01Å; I296-L299 HydrophobicContact CG2-CD1 4.17Å; Q297-L299 PolarHBondContact O-N 3.01Å; Q297-L299 VanDerWaalsContact O-N 3.13Å; L299-V301 HydrophobicContact CG-CG2 4.47Å; L299-N387 HydrophobicContact CD1-CB 4.34Å; L299-L389 HydrophobicContact CD1-CB 4.12Å; L299-L389 HydrophobicContact CD2-CB 4.49Å
300	K	98.3	Very high	97.3	Very high	77 Å²	77	58.6 Å²	58.6	34%	0.335	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	142.3	168	-58.4	-174.7	175	-174.2	0	110.6	D298 Q385 N387 I388 L389	D298-K300 PolarHBondContact O-N 2.78Å; K300-Q385 VanDerWaalsContact NZ-CD 3.29Å; K300-N387 PolarHBondContact N-O 3.45Å; K300-I388 HydrophobicContact CB-CG1 4.24Å; K300-I388 CarbonylContact O-C 3.6Å; K300-I388 WeakPolarHBondContact O-CA 3.06Å; K300-L389 PolarHBondContact O-N 2.83Å
301	V	98.8	Very high	97.3	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.6	177.1	-176.8	0	0	0	0	110	L299 A313 L316 V318 Y320 E321 L389 I391	L299-V301 HydrophobicContact CG-CG2 4.47Å; V301-A313 HydrophobicContact CG1-CB 4.38Å; V301-L316 HydrophobicContact CG1-CD1 4.2Å; V301-L316 HydrophobicContact CG2-CD1 4.44Å; V301-V318 HydrophobicContact CB-CG2 4.44Å; V301-V318 HydrophobicContact CG2-CG2 3.66Å; V301-Y320 CarbonylContact O-C 3.57Å; V301-Y320 WeakPolarHBondContact O-CA 3.22Å; V301-Y320 WeakPolarHBondContact O-CB 3.4Å; V301-E321 PolarHBondContact O-N 3.03Å; V301-L389 CarbonylContact C-O 3.59Å; V301-L389 WeakPolarHBondContact CA-O 3.4Å; V301-L389 HydrophobicContact CG1-CD2 4.31Å; V301-L389 HydrophobicContact CG2-CB 4.38Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; V301-I391 HydrophobicContact CG1-CD1 4.13Å; V301-I391 HydrophobicContact CG1-CG1 4.49Å
302	W	98.9	Very high	97.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.9	175.1	-64.6	-14.7	0	0	0	111.7	E321 W323 L326 V378 E381 L382 Q385 I388 L389 V390 I391	W302-E321 WeakPolarHBondContact CA-O 3.45Å; W302-E321 PolarHBondContact NE1-OE2 3.19Å; W302-W323 AromaticContact CD1-NE1 3.79Å; W302-W323 AromaticContact CG-NE1 3.97Å; W302-W323 HydrophobicContact CZ2-CZ2 4.11Å; W302-W323 AromaticContact NE1-NE1 3.86Å; W302-L326 HydrophobicContact CB-CD1 4.02Å; W302-V378 HydrophobicContact CE3-CG1 4.32Å; W302-V378 HydrophobicContact CZ3-CG1 4.03Å; W302-E381 HydrophobicContact CH2-CB 3.53Å; W302-E381 HydrophobicContact CH2-CG 3.25Å; W302-E381 HydrophobicContact CZ2-CB 4.22Å; W302-E381 HydrophobicContact CZ2-CG 3.43Å; W302-E381 VanDerWaalsContact CZ2-CG 3.43Å; W302-E381 HydrophobicContact CZ3-CB 4.26Å; W302-E381 HydrophobicContact CZ3-CG 4.34Å; W302-L382 HydrophobicContact CE3-CD2 4.13Å; W302-L382 HydrophobicContact CH2-CD2 4Å; W302-L382 HydrophobicContact CH2-CG 4.3Å; W302-L382 HydrophobicContact CZ3-CD2 3.46Å; W302-L382 VanDerWaalsContact CZ3-CD2 3.46Å; W302-L382 HydrophobicContact CZ3-CG 3.72Å; W302-Q385 HydrophobicContact CZ2-CG 4.29Å; W302-I388 HydrophobicContact CD2-CG2 4.2Å; W302-I388 HydrophobicContact CE3-CG2 4.22Å; W302-I388 HydrophobicContact CH2-CD1 3.47Å; W302-I388 VanDerWaalsContact CH2-CD1 3.47Å; W302-I388 HydrophobicContact CZ2-CD1 3.52Å; W302-I388 HydrophobicContact CZ3-CD1 4.12Å; W302-L389 PolarHBondContact N-O 3.27Å; W302-V390 HydrophobicContact CE3-CG2 4.03Å; W302-I391 PolarHBondContact O-N 3.16Å
303	T	98.9	Very high	97.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162	180	59.1	0	0	0	0	110.5	A313 Y320 E321 Q322 W323 I391	T303-A313 HydrophobicContact CG2-CB 3.41Å; T303-A313 VanDerWaalsContact CG2-CB 3.41Å; T303-Y320 HydrophobicContact CG2-CD2 3.89Å; T303-Y320 HydrophobicContact CG2-CG 4.39Å; T303-E321 PolarHBondContact N-O 3.27Å; T303-E321 PolarHBondContact OG1-O 2.96Å; T303-E321 VanDerWaalsContact OG1-O 3.08Å; T303-Q322 WeakPolarHBondContact OG1-CG 3.49Å; T303-W323 PolarHBondContact O-N 2.98Å; T303-I391 WeakPolarHBondContact CA-O 3.42Å; T303-I391 HydrophobicContact CG2-CB 4.41Å
304	S	98.8	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.			trans	-74.5	176	160.4	84.6	0	0	0	0	111.6	L306 T309 L326 N327 H393	S304-L306 VanDerWaalsContact C-N 3.26Å; S304-L306 WeakPolarHBondContact OG-CB 3.41Å; S304-L306 PolarHBondContact OG-N 3.03Å; S304-T309 PolarHBondContact N-OG1 3.01Å; S304-T309 PolarHBondContact O-OG1 3.17Å; S304-T309 WeakPolarHBondContact OG-CG2 3.37Å; S304-T309 PolarHBondContact OG-OG1 2.79Å; S304-L326 VanDerWaalsContact CB-C 3.46Å; S304-L326 VanDerWaalsContact CB-O 3.22Å; S304-L326 WeakPolarHBondContact CB-O 3.35Å; S304-N327 WeakPolarHBondContact CB-OD1 3.47Å; S304-H393 VanDerWaalsContact CB-NE2 3.29Å; S304-H393 WeakPolarHBondContact CB-NE2 3.29Å; S304-H393 PolarHBondContact OG-NE2 3.21Å
305	Q	98.8	Very high	97.8	Very high	90 Å²	90	51.1 Å²	51.1	42%	0.421	25%	0.247	S	C	.	.	S	Bend	trans	-84.1	2.5	170.9	-71.3	-176.3	-18.6	0	0	113.6	Q322 K324 N327	Q305-Q322 HydrophobicContact CG-CB 4.15Å; Q305-K324 HydrophobicContact CG-CB 4.32Å; Q305-N327 PolarHBondContact N-OD1 3.27Å
306	L	98.8	Very high	98	Very high	28 Å²	28	43.5 Å²	43.5	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-85.3	140.2	179.3	-57.2	-178.4	0	0	0	111	D273 S304 R308 T309 I310 N327 E328	D273-L306 HydrophobicContact CB-CD2 4.47Å; D273-L306 VanDerWaalsContact OD1-CA 3.32Å; D273-L306 WeakPolarHBondContact OD1-CA 3.44Å; D273-L306 WeakPolarHBondContact OD1-CB 3.21Å; S304-L306 VanDerWaalsContact C-N 3.26Å; S304-L306 WeakPolarHBondContact OG-CB 3.41Å; S304-L306 PolarHBondContact OG-N 3.03Å; L306-R308 VanDerWaalsContact C-N 3.26Å; L306-R308 VanDerWaalsContact CD1-NH2 3.25Å; L306-R308 PolarHBondContact O-N 2.85Å; L306-R308 VanDerWaalsContact O-N 3.1Å; L306-T309 PolarHBondContact O-N 3.33Å; L306-T309 PolarHBondContact O-OG1 3.09Å; L306-I310 PolarHBondContact O-N 2.84Å; L306-N327 HydrophobicContact CD1-CB 4.31Å; L306-N327 HydrophobicContact CG-CB 4.37Å; L306-E328 HydrophobicContact CD1-CB 4.29Å
307	K	98.8	Very high	98	Very high	105 Å²	105	45.1 Å²	45.1	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-50.5	-43.1	-170.1	-168.1	176.4	-160.2	172.5	0	113.2	D273 T309 I310 Q311	D273-K307 WeakPolarHBondContact OD1-CB 3.5Å; D273-K307 PolarHBondContact OD1-N 3.39Å; K307-T309 PolarHBondContact O-N 3.14Å; K307-I310 PolarHBondContact O-N 3.46Å; K307-Q311 HydrophobicContact CG-CG 4.15Å; K307-Q311 WeakPolarHBondContact O-CB 3.49Å; K307-Q311 VanDerWaalsContact O-CG 3.3Å; K307-Q311 WeakPolarHBondContact O-CG 3.32Å; K307-Q311 PolarHBondContact O-N 3.38Å
308	R	98.8	Very high	98.1	Very high	8 Å²	8	41 Å²	41	3%	0.03	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-37.9	-179	58.9	-168.4	-178.9	-95	2.2	114.2	H259 G272 L276 L306 T312 H393	H259-R308 HydrophobicContact CB-CB 3.93Å; H259-R308 HydrophobicContact CB-CG 3.9Å; H259-R308 WeakPolarHBondContact CB-O 3.39Å; H259-R308 VanDerWaalsContact CD2-CD 3.48Å; H259-R308 WeakPolarHBondContact CD2-CD 3.28Å; H259-R308 PolarHBondContact CD2-NE 3.47Å; H259-R308 WeakPolarHBondContact NE2-CD 3.04Å; H259-R308 PolarHBondContact NE2-NE 2.83Å; G272-R308 PolarHBondContact O-NH1 2.96Å; L276-R308 HydrophobicContact CD2-CB 4.06Å; L306-R308 VanDerWaalsContact C-N 3.26Å; L306-R308 VanDerWaalsContact CD1-NH2 3.25Å; L306-R308 PolarHBondContact O-N 2.85Å; L306-R308 VanDerWaalsContact O-N 3.1Å; R308-T312 PolarHBondContact O-N 3.24Å; R308-T312 PolarHBondContact O-OG1 2.79Å; R308-H393 PolarHBondContact NE-CE1 2.77Å; R308-H393 PolarHBondContact NE-ND1 3.43Å; R308-H393 PolarHBondContact NH2-CE1 2.67Å; R308-H393 PolarHBondContact NH2-ND1 3.44Å
309	T	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-74.5	-38.4	175.8	56.7	0	0	0	0	110.9	H259 S304 L306 K307 T312 A313 I391	H259-T309 HydrophobicContact CB-CG2 3.9Å; S304-T309 PolarHBondContact N-OG1 3.01Å; S304-T309 PolarHBondContact O-OG1 3.17Å; S304-T309 WeakPolarHBondContact OG-CG2 3.37Å; S304-T309 PolarHBondContact OG-OG1 2.79Å; L306-T309 PolarHBondContact O-N 3.33Å; L306-T309 PolarHBondContact O-OG1 3.09Å; K307-T309 PolarHBondContact O-N 3.14Å; T309-T312 WeakPolarHBondContact O-CB 3.47Å; T309-T312 PolarHBondContact O-N 3.37Å; T309-A313 PolarHBondContact O-N 3.39Å; T309-I391 HydrophobicContact CG2-CG2 4.28Å; T309-I391 WeakPolarHBondContact CG2-O 3.47Å
310	I	98.9	Very high	98.4	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-52.2	178.5	-64.8	170.3	0	0	0	110.3	L306 K307 T312 A313 E314 Y320 Q322	L306-I310 PolarHBondContact O-N 2.84Å; K307-I310 PolarHBondContact O-N 3.46Å; I310-T312 PolarHBondContact O-N 3.16Å; I310-A313 PolarHBondContact O-N 3.28Å; I310-E314 HydrophobicContact CG2-CG 4.17Å; I310-E314 WeakPolarHBondContact O-CG 3.45Å; I310-E314 PolarHBondContact O-N 2.89Å; I310-Y320 HydrophobicContact CG2-CE2 4.3Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.38Å; I310-Q322 HydrophobicContact CG1-CG 4.4Å
311	Q	98.8	Very high	98.4	Very high	46 Å²	46	41.9 Å²	41.9	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-33.1	178	-72.5	-179.6	-35.2	0	0	112.9	G275 L276 K307 S315	G275-Q311 VanDerWaalsContact CA-OE1 3.31Å; L276-Q311 HydrophobicContact CD1-CB 3.62Å; L276-Q311 HydrophobicContact CG-CB 3.86Å; K307-Q311 HydrophobicContact CG-CG 4.15Å; K307-Q311 WeakPolarHBondContact O-CB 3.49Å; K307-Q311 VanDerWaalsContact O-CG 3.3Å; K307-Q311 WeakPolarHBondContact O-CG 3.32Å; K307-Q311 PolarHBondContact O-N 3.38Å; Q311-S315 PolarHBondContact O-N 3.38Å; Q311-S315 PolarHBondContact O-OG 2.83Å; Q311-S315 VanDerWaalsContact O-OG 3.06Å
312	T	98.9	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45.3	174.6	-53.9	0	0	0	0	110.3	G260 F283 A284 L287 R308 T309 I310 I391	G260-T312 PolarHBondContact N-OG1 3.07Å; G260-T312 VanDerWaalsContact N-OG1 3.07Å; F283-T312 HydrophobicContact CD1-CG2 4.23Å; F283-T312 HydrophobicContact CE1-CG2 3.96Å; A284-T312 HydrophobicContact CB-CG2 4.07Å; L287-T312 HydrophobicContact CD2-CG2 4.03Å; R308-T312 PolarHBondContact O-N 3.24Å; R308-T312 PolarHBondContact O-OG1 2.79Å; T309-T312 WeakPolarHBondContact O-CB 3.47Å; T309-T312 PolarHBondContact O-N 3.37Å; I310-T312 PolarHBondContact O-N 3.16Å; T312-I391 HydrophobicContact CG2-CD1 4.09Å; T312-I391 HydrophobicContact CG2-CG2 4.02Å
313	A	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.1	-37.4	179.2	0	0	0	0	0	113.7	V301 T303 T309 I310 S315 L316 Y320 I391	V301-A313 HydrophobicContact CG1-CB 4.38Å; T303-A313 HydrophobicContact CG2-CB 3.41Å; T303-A313 VanDerWaalsContact CG2-CB 3.41Å; T309-A313 PolarHBondContact O-N 3.39Å; I310-A313 PolarHBondContact O-N 3.28Å; A313-S315 PolarHBondContact O-N 2.92Å; A313-L316 VanDerWaalsContact O-CB 3.26Å; A313-L316 WeakPolarHBondContact O-CB 3.28Å; A313-L316 WeakPolarHBondContact O-CG 3.45Å; A313-L316 PolarHBondContact O-N 2.91Å; A313-Y320 HydrophobicContact CB-CD1 3.8Å; A313-Y320 HydrophobicContact CB-CD2 4.08Å; A313-Y320 HydrophobicContact CB-CE1 4.22Å; A313-Y320 HydrophobicContact CB-CE2 4.46Å; A313-Y320 HydrophobicContact CB-CG 3.75Å; A313-I391 HydrophobicContact CB-CD1 4.06Å
314	E	98.6	Very high	98.4	Very high	112 Å²	112	55.3 Å²	55.3	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-55.4	-35.7	176.1	-76	175	162.6	0	0	111.7	I310 L316 G317 Y320	I310-E314 HydrophobicContact CG2-CG 4.17Å; I310-E314 WeakPolarHBondContact O-CG 3.45Å; I310-E314 PolarHBondContact O-N 2.89Å; E314-L316 PolarHBondContact O-N 2.79Å; E314-G317 PolarHBondContact O-N 3.29Å; E314-Y320 HydrophobicContact CG-CE1 4.12Å; E314-Y320 WeakPolarHBondContact CG-OH 3.37Å
315	S	98.1	Very high	98.3	Very high	32 Å²	32	57.6 Å²	57.6	22%	0.224	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.4	179.1	-57.4	0	0	0	0	113.3	A284 K288 Q311 A313	A284-S315 WeakPolarHBondContact CB-OG 3.46Å; K288-S315 WeakPolarHBondContact CD-O 3.37Å; Q311-S315 PolarHBondContact O-N 3.38Å; Q311-S315 PolarHBondContact O-OG 2.83Å; Q311-S315 VanDerWaalsContact O-OG 3.06Å; A313-S315 PolarHBondContact O-N 2.92Å
316	L	97.8	Very high	98.3	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-23.9	-178.5	-53.6	-178.3	0	0	0	112.6	L287 K288 L291 V301 A313 E314 V318 L389 I391	L287-L316 HydrophobicContact CB-CD2 4.13Å; L287-L316 HydrophobicContact CD2-CD2 4.04Å; L287-L316 HydrophobicContact CG-CD2 3.81Å; K288-L316 HydrophobicContact CB-CD2 4.02Å; L291-L316 HydrophobicContact CD1-CD1 3.84Å; L291-L316 HydrophobicContact CD1-CD2 4.06Å; L291-L316 HydrophobicContact CD1-CG 4.43Å; V301-L316 HydrophobicContact CG1-CD1 4.2Å; V301-L316 HydrophobicContact CG2-CD1 4.44Å; A313-L316 VanDerWaalsContact O-CB 3.26Å; A313-L316 WeakPolarHBondContact O-CB 3.28Å; A313-L316 WeakPolarHBondContact O-CG 3.45Å; A313-L316 PolarHBondContact O-N 2.91Å; E314-L316 PolarHBondContact O-N 2.79Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.93Å; L316-V318 HydrophobicContact CD1-CG2 4.44Å; L316-V318 PolarHBondContact O-N 3.03Å; L316-L389 HydrophobicContact CD1-CD2 4.04Å; L316-I391 HydrophobicContact CD1-CD1 4.02Å
317	G	95.4	Very high	98.3	Very high	66 Å²	66	53.4 Å²	53.4	68%	0.68	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	20.5	-177.1	0	0	0	0	0	114.5	E314	E314-G317 PolarHBondContact O-N 3.29Å
318	V	96.2	Very high	98.3	Very high	72 Å²	72	50 Å²	50	44%	0.436	26%	0.264	S	S	.	.	S	Bend	trans	-117.7	161.2	176.9	-57.8	0	0	0	0	111	V301 L316	V301-V318 HydrophobicContact CB-CG2 4.44Å; V301-V318 HydrophobicContact CG2-CG2 3.66Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.93Å; L316-V318 HydrophobicContact CD1-CG2 4.44Å; L316-V318 PolarHBondContact O-N 3.03Å
319	T	97.9	Very high	98.3	Very high	131 Å²	131	50.4 Å²	50.4	80%	0.804	27%	0.267	S	S	*	.			trans	-67.2	135.8	172.4	53.6	0	0	0	0	110.5
320	Y	98.6	Very high	98.3	Very high	62 Å²	62	54 Å²	54	24%	0.243	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.1	176.9	63.4	-90.2	0	0	0	111	V301 T303 I310 A313 E314 Q322	V301-Y320 CarbonylContact O-C 3.57Å; V301-Y320 WeakPolarHBondContact O-CA 3.22Å; V301-Y320 WeakPolarHBondContact O-CB 3.4Å; T303-Y320 HydrophobicContact CG2-CD2 3.89Å; T303-Y320 HydrophobicContact CG2-CG 4.39Å; I310-Y320 HydrophobicContact CG2-CE2 4.3Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.38Å; A313-Y320 HydrophobicContact CB-CD1 3.8Å; A313-Y320 HydrophobicContact CB-CD2 4.08Å; A313-Y320 HydrophobicContact CB-CE1 4.22Å; A313-Y320 HydrophobicContact CB-CE2 4.46Å; A313-Y320 HydrophobicContact CB-CG 3.75Å; E314-Y320 HydrophobicContact CG-CE1 4.12Å; E314-Y320 WeakPolarHBondContact CG-OH 3.37Å; Y320-Q322 HydrophobicContact CD2-CG 4.15Å; Y320-Q322 HydrophobicContact CE2-CG 3.86Å
321	E	98.7	Very high	98.3	Very high	91 Å²	91	53 Å²	53	43%	0.425	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.4	177.9	-61	171.6	-158	0	0	110.5	V301 W302 T303 W323	V301-E321 PolarHBondContact O-N 3.03Å; W302-E321 WeakPolarHBondContact CA-O 3.45Å; W302-E321 PolarHBondContact NE1-OE2 3.19Å; T303-E321 PolarHBondContact N-O 3.27Å; T303-E321 PolarHBondContact OG1-O 2.96Å; T303-E321 VanDerWaalsContact OG1-O 3.08Å; E321-W323 PolarHBondContact OE2-NE1 3.34Å
322	Q	98.8	Very high	98.2	Very high	90 Å²	90	51.7 Å²	51.7	42%	0.421	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.8	179.2	-60.2	-177.5	25.4	0	0	110.7	T303 Q305 I310 Y320	T303-Q322 WeakPolarHBondContact OG1-CG 3.49Å; Q305-Q322 HydrophobicContact CG-CB 4.15Å; I310-Q322 HydrophobicContact CG1-CG 4.4Å; Y320-Q322 HydrophobicContact CD2-CG 4.15Å; Y320-Q322 HydrophobicContact CE2-CG 3.86Å
323	W	98.8	Very high	98.2	Very high	54 Å²	54	55 Å²	55	21%	0.205	30%	0.301	C	S	.	.			trans	-116	113.1	-177.1	-69.3	57.7	0	0	0	109.2	W302 T303 E321 I325 L326 V378 E381	W302-W323 AromaticContact CD1-NE1 3.79Å; W302-W323 AromaticContact CG-NE1 3.97Å; W302-W323 HydrophobicContact CZ2-CZ2 4.11Å; W302-W323 AromaticContact NE1-NE1 3.86Å; T303-W323 PolarHBondContact O-N 2.98Å; E321-W323 PolarHBondContact OE2-NE1 3.34Å; W323-I325 HydrophobicContact CB-CG1 4.37Å; W323-I325 HydrophobicContact CE3-CD1 3.85Å; W323-I325 HydrophobicContact CE3-CG1 4Å; W323-I325 HydrophobicContact CZ3-CD1 4.22Å; W323-I325 PolarHBondContact O-N 3.48Å; W323-L326 HydrophobicContact CB-CB 4.22Å; W323-L326 HydrophobicContact CB-CD1 3.92Å; W323-L326 HydrophobicContact CB-CG 3.97Å; W323-L326 HydrophobicContact CG-CD1 4.38Å; W323-L326 WeakPolarHBondContact O-CB 3.49Å; W323-L326 PolarHBondContact O-N 2.81Å; W323-V378 HydrophobicContact CE3-CG2 4.18Å; W323-E381 HydrophobicContact CH2-CB 3.99Å; W323-E381 HydrophobicContact CH2-CG 3.83Å; W323-E381 HydrophobicContact CZ2-CG 4.26Å
324	K	98.6	Very high	98.2	Very high	143 Å²	143	55 Å²	55	62%	0.622	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-56.5	-35.7	177.2	-171.8	176.2	178.4	-176.4	0	112.2	Q305 L326 N327	Q305-K324 HydrophobicContact CG-CB 4.32Å; K324-L326 PolarHBondContact O-N 3.14Å; K324-N327 VanDerWaalsContact O-CB 3.25Å; K324-N327 WeakPolarHBondContact O-CB 3.29Å; K324-N327 PolarHBondContact O-N 3.17Å; K324-N327 PolarHBondContact O-OD1 3.04Å
325	I	98.4	Very high	98.1	Very high	49 Å²	49	52.4 Å²	52.4	25%	0.251	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.8	-5.5	178.8	63.5	175.1	0	0	0	113.6	W323 R374 L375 P377 V378	W323-I325 HydrophobicContact CB-CG1 4.37Å; W323-I325 HydrophobicContact CE3-CD1 3.85Å; W323-I325 HydrophobicContact CE3-CG1 4Å; W323-I325 HydrophobicContact CZ3-CD1 4.22Å; W323-I325 PolarHBondContact O-N 3.48Å; I325-R374 VanDerWaalsContact C-NH1 3.28Å; I325-R374 HydrophobicContact CB-CG 3.83Å; I325-R374 HydrophobicContact CG2-CG 3.98Å; I325-R374 PolarHBondContact O-NH1 3.38Å; I325-L375 WeakPolarHBondContact O-CD2 3.43Å; I325-P377 HydrophobicContact CD1-CB 3.93Å; I325-P377 HydrophobicContact CD1-CG 4.22Å; I325-V378 HydrophobicContact CD1-CG2 3.5Å; I325-V378 VanDerWaalsContact CD1-CG2 3.5Å; I325-V378 HydrophobicContact CG1-CG2 3.68Å
326	L	98.9	Very high	98.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-92.6	1.4	167.7	-75.5	178.4	0	0	0	113.2	W302 S304 W323 K324 L375 V378 V390 H393 V396 L400	W302-L326 HydrophobicContact CB-CD1 4.02Å; S304-L326 VanDerWaalsContact CB-C 3.46Å; S304-L326 VanDerWaalsContact CB-O 3.22Å; S304-L326 WeakPolarHBondContact CB-O 3.35Å; W323-L326 HydrophobicContact CB-CB 4.22Å; W323-L326 HydrophobicContact CB-CD1 3.92Å; W323-L326 HydrophobicContact CB-CG 3.97Å; W323-L326 HydrophobicContact CG-CD1 4.38Å; W323-L326 WeakPolarHBondContact O-CB 3.49Å; W323-L326 PolarHBondContact O-N 2.81Å; K324-L326 PolarHBondContact O-N 3.14Å; L326-L375 HydrophobicContact CD2-CD2 3.93Å; L326-V378 HydrophobicContact CD2-CG1 4Å; L326-V378 HydrophobicContact CD2-CG2 4.07Å; L326-V378 HydrophobicContact CG-CG2 4.24Å; L326-V390 HydrophobicContact CD1-CG1 3.8Å; L326-V390 HydrophobicContact CD2-CG1 4.03Å; L326-H393 PolarHBondContact O-CD2 3.09Å; L326-H393 VanDerWaalsContact O-CD2 3.23Å; L326-V396 HydrophobicContact CD2-CG1 3.82Å; L326-L400 HydrophobicContact CD2-CD1 4.44Å
327	N	98.9	Very high	98.2	Very high	30 Å²	30	56.7 Å²	56.7	16%	0.16	31%	0.305	C	S	.	.	S	Bend	trans	-59.4	150.4	173.8	-72.7	7.8	0	0	0	111	S304 Q305 L306 K324 R374 V396	S304-N327 WeakPolarHBondContact CB-OD1 3.47Å; Q305-N327 PolarHBondContact N-OD1 3.27Å; L306-N327 HydrophobicContact CD1-CB 4.31Å; L306-N327 HydrophobicContact CG-CB 4.37Å; K324-N327 VanDerWaalsContact O-CB 3.25Å; K324-N327 WeakPolarHBondContact O-CB 3.29Å; K324-N327 PolarHBondContact O-N 3.17Å; K324-N327 PolarHBondContact O-OD1 3.04Å; N327-R374 PolarHBondContact O-NH1 3.47Å; N327-R374 PolarHBondContact O-NH2 3.2Å; N327-V396 WeakPolarHBondContact O-CG2 3.46Å
328	E	98.8	Very high	98.3	Very high	32 Å²	32	55 Å²	55	15%	0.15	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-56.3	160	177.6	-172.2	54.7	-56.6	0	0	111.5	L306 D330 R374 H393 Q394 A395 V396	L306-E328 HydrophobicContact CD1-CB 4.29Å; E328-D330 PolarHBondContact O-N 3.05Å; E328-R374 PolarHBondContact O-NH2 3.33Å; E328-H393 HydrophobicContact CB-CB 3.72Å; E328-H393 HydrophobicContact CG-CB 3.88Å; E328-H393 PolarHBondContact N-CD2 3.09Å; E328-H393 VanDerWaalsContact N-CD2 3.32Å; E328-H393 WeakPolarHBondContact OE1-CB 3.38Å; E328-H393 WeakPolarHBondContact OE2-CB 3.36Å; E328-Q394 PolarHBondContact OE2-N 2.69Å; E328-A395 WeakPolarHBondContact OE1-CB 3.13Å; E328-A395 PolarHBondContact OE1-N 3.43Å; E328-A395 VanDerWaalsContact OE1-N 3.09Å; E328-A395 PolarHBondContact OE2-N 3.27Å; E328-A395 VanDerWaalsContact OE2-N 3.14Å; E328-V396 PolarHBondContact OE1-N 3.06Å
329	I	98.6	Very high	98.4	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.092	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-53.1	129.1	171.7	-166.8	170.7	0	0	0	110.6	A331 E366 Y368 L371 A395	I329-A331 PolarHBondContact O-N 2.78Å; I329-E366 HydrophobicContact CD1-CB 4.48Å; I329-E366 HydrophobicContact CG1-CB 3.77Å; I329-Y368 HydrophobicContact CD1-CD2 4.37Å; I329-L371 HydrophobicContact CB-CD2 4.25Å; I329-A395 HydrophobicContact CB-CB 3.82Å; I329-A395 HydrophobicContact CG2-CB 3.56Å
330	D	98.6	Very high	98.3	Very high	74 Å²	74	51 Å²	51	40%	0.396	25%	0.253	S	S	.	.			trans	-74.7	115	177	-169.1	-25.3	0	0	0	110	E328 G332 G365 E366	E328-D330 PolarHBondContact O-N 3.05Å; D330-G332 VanDerWaalsContact C-N 3.25Å; D330-G332 PolarHBondContact O-N 3.06Å; D330-G332 WeakPolarHBondContact OD1-CA 3.33Å; D330-G332 PolarHBondContact OD1-N 3.21Å; D330-G365 CarbonylContact O-C 3.57Å; D330-G365 WeakPolarHBondContact O-CA 3.37Å; D330-E366 HydrophobicContact CB-CB 4.38Å; D330-E366 HydrophobicContact CB-CG 3.99Å; D330-E366 PolarHBondContact N-OE2 3.02Å; D330-E366 PolarHBondContact O-N 3.44Å
331	A	98	Very high	98.3	Very high	2 Å²	2	52 Å²	52	2%	0.017	26%	0.261	C	S	.	.			trans	-83.8	3.8	178.2	0	0	0	0	0	113.4	I270 I329 V333 C334 E335 Y362	I270-A331 HydrophobicContact CD1-CB 3.66Å; I270-A331 HydrophobicContact CG1-CB 4.24Å; I329-A331 PolarHBondContact O-N 2.78Å; A331-V333 PolarHBondContact O-N 3.05Å; A331-C334 HydrophobicContact CB-CB 4.21Å; A331-C334 WeakPolarHBondContact O-CB 3.32Å; A331-C334 PolarHBondContact O-N 2.81Å; A331-E335 HydrophobicContact CB-CG 4.21Å; A331-E335 WeakPolarHBondContact CB-OE1 3.41Å; A331-E335 PolarHBondContact N-OE1 2.89Å; A331-Y362 HydrophobicContact CB-CD1 4.33Å; A331-Y362 HydrophobicContact CB-CD2 4.33Å; A331-Y362 HydrophobicContact CB-CE1 4.34Å; A331-Y362 HydrophobicContact CB-CE2 4.33Å; A331-Y362 HydrophobicContact CB-CG 4.32Å; A331-Y362 WeakPolarHBondContact O-CB 3.46Å; A331-Y362 WeakPolarHBondContact O-CD1 3.47Å
332	G	97.9	Very high	98.3	Very high	19 Å²	19	47.9 Å²	47.9	20%	0.196	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	56.7	-122.1	176.1	0	0	0	0	0	112.3	D330 C334 E335	D330-G332 VanDerWaalsContact C-N 3.25Å; D330-G332 PolarHBondContact O-N 3.06Å; D330-G332 WeakPolarHBondContact OD1-CA 3.33Å; D330-G332 PolarHBondContact OD1-N 3.21Å; G332-C334 PolarHBondContact O-N 3.02Å; G332-C334 VanDerWaalsContact O-N 3.14Å; G332-E335 WeakPolarHBondContact O-CB 3.22Å; G332-E335 WeakPolarHBondContact O-CG 3.29Å; G332-E335 PolarHBondContact O-N 3.13Å
333	V	97.8	Very high	98.2	Very high	70 Å²	70	48.2 Å²	48.2	42%	0.424	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-64.6	-14.3	177.6	-59.7	0	0	0	0	114.1	A331 M337 Y346 P363	A331-V333 PolarHBondContact O-N 3.05Å; V333-M337 VanDerWaalsContact O-CE 3.28Å; V333-M337 WeakPolarHBondContact O-CE 3.37Å; V333-Y346 HydrophobicContact CG2-CE2 4.43Å; V333-P363 HydrophobicContact CG2-CB 3.9Å; V333-P363 HydrophobicContact CG2-CG 4.26Å; V333-P363 PolarHBondContact N-O 2.89Å
334	C	98.2	Very high	98.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-96.8	5	180	-61.1	0	0	0	0	113.6	I270 A331 G332 M337 I342 Y362	I270-C334 HydrophobicContact CD1-CB 4.43Å; I270-C334 WeakPolarHBondContact CG1-O 3.47Å; A331-C334 HydrophobicContact CB-CB 4.21Å; A331-C334 WeakPolarHBondContact O-CB 3.32Å; A331-C334 PolarHBondContact O-N 2.81Å; G332-C334 PolarHBondContact O-N 3.02Å; G332-C334 VanDerWaalsContact O-N 3.14Å; C334-M337 PolarHBondContact O-N 3.16Å; C334-I342 HydrophobicContact CB-CD1 3.83Å; C334-I342 HydrophobicContact CB-CG1 4.02Å; C334-Y362 HydrophobicContact CB-CD1 3.92Å; C334-Y362 HydrophobicContact CB-CE1 3.88Å
335	E	98	Very high	98.1	Very high	56 Å²	56	53.8 Å²	53.8	26%	0.262	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	142.2	172.5	-76.6	-72.8	128.9	0	0	111.5	G271 G272 A331 G332 M337	G271-E335 WeakPolarHBondContact CA-OE2 3.17Å; G272-E335 PolarHBondContact N-OE2 3.18Å; A331-E335 HydrophobicContact CB-CG 4.21Å; A331-E335 WeakPolarHBondContact CB-OE1 3.41Å; A331-E335 PolarHBondContact N-OE1 2.89Å; G332-E335 WeakPolarHBondContact O-CB 3.22Å; G332-E335 WeakPolarHBondContact O-CG 3.29Å; G332-E335 PolarHBondContact O-N 3.13Å; E335-M337 PolarHBondContact O-N 3.08Å; E335-M337 VanDerWaalsContact O-N 3.17Å
336	E	98.3	Very high	98	Very high	106 Å²	106	54.5 Å²	54.5	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	11.4	177.7	-38	-169.5	173.3	0	0	116.1	F264 K269 I270	F264-E336 HydrophobicContact CE2-CB 3.82Å; F264-E336 HydrophobicContact CE2-CG 3.83Å; F264-E336 HydrophobicContact CZ-CB 4.18Å; F264-E336 HydrophobicContact CZ-CG 4.3Å; K269-E336 VanDerWaalsContact CD-O 3.31Å; K269-E336 WeakPolarHBondContact CD-O 3.48Å; K269-E336 WeakPolarHBondContact CE-O 3.42Å; K269-E336 PolarHBondContact NZ-O 2.85Å; I270-E336 VanDerWaalsContact O-CA 3.31Å; I270-E336 WeakPolarHBondContact O-CA 3.45Å; I270-E336 PolarHBondContact O-N 2.85Å
337	M	98.5	Very high	97.9	Very high	24 Å²	24	58 Å²	58	12%	0.118	29%	0.29	C	S	.	.			trans	-96.9	154	174.8	-59.7	-174.1	-176.3	0	0	111.9	K269 I270 V333 C334 E335 E341 I342 Y346	K269-M337 CarbonylContact C-O 3.59Å; K269-M337 WeakPolarHBondContact CA-O 3.38Å; I270-M337 WeakPolarHBondContact CG1-O 3.41Å; I270-M337 PolarHBondContact N-O 2.92Å; V333-M337 VanDerWaalsContact O-CE 3.28Å; V333-M337 WeakPolarHBondContact O-CE 3.37Å; C334-M337 PolarHBondContact O-N 3.16Å; E335-M337 PolarHBondContact O-N 3.08Å; E335-M337 VanDerWaalsContact O-N 3.17Å; M337-E341 WeakPolarHBondContact CA-OE2 3.2Å; M337-E341 HydrophobicContact CB-CB 4.3Å; M337-I342 HydrophobicContact CB-CD1 4.21Å; M337-I342 HydrophobicContact CB-CG1 3.78Å; M337-I342 HydrophobicContact SD-CG1 4.16Å; M337-Y346 HydrophobicContact CE-CE2 4.15Å; M337-Y346 HydrophobicContact SD-CE2 4.13Å
338	T	98.5	Very high	97.8	Very high	30 Å²	30	63.9 Å²	63.9	18%	0.184	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-79	159.3	163.8	66.6	0	0	0	0	110.6	L267 G268 K269 S340 E341 I342	L267-T338 WeakPolarHBondContact O-CG2 3.28Å; G268-T338 WeakPolarHBondContact O-CA 3.32Å; K269-T338 HydrophobicContact CG-CG2 3.88Å; T338-S340 PolarHBondContact O-N 2.83Å; T338-E341 PolarHBondContact N-OE2 2.86Å; T338-E341 PolarHBondContact O-N 2.76Å; T338-E341 VanDerWaalsContact OG1-CG 3.27Å; T338-E341 WeakPolarHBondContact OG1-CG 3.34Å; T338-E341 PolarHBondContact OG1-N 3.26Å; T338-E341 VanDerWaalsContact OG1-N 3.16Å; T338-E341 PolarHBondContact OG1-OE2 2.68Å; T338-E341 VanDerWaalsContact OG1-OE2 3.04Å; T338-I342 WeakPolarHBondContact O-CG1 3.22Å; T338-I342 PolarHBondContact O-N 3.45Å
339	Y	96.9	Very high	97.6	Very high	58 Å²	58	64.2 Å²	64.2	23%	0.227	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-33	174.6	-76.3	-67.4	0	0	0	113	I270 I342 E343 F350	I270-Y339 HydrophobicContact CG2-CD2 4.32Å; I270-Y339 HydrophobicContact CG2-CE1 4.29Å; I270-Y339 HydrophobicContact CG2-CE2 3.77Å; Y339-I342 HydrophobicContact CD1-CD1 4.45Å; Y339-I342 PolarHBondContact O-N 3.23Å; Y339-E343 WeakPolarHBondContact O-CB 3.16Å; Y339-E343 PolarHBondContact O-N 3.35Å; Y339-F350 HydrophobicContact CD1-CE2 4.16Å
340	S	97.4	Very high	97.5	Very high	61 Å²	61	64.4 Å²	64.4	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-40.7	177	-172.9	0	0	0	0	112.1	T338 I342 E343 Q344	T338-S340 PolarHBondContact O-N 2.83Å; S340-I342 VanDerWaalsContact C-N 3.31Å; S340-I342 PolarHBondContact O-N 3.21Å; S340-E343 PolarHBondContact O-N 3.4Å; S340-Q344 VanDerWaalsContact O-CG 3.31Å; S340-Q344 WeakPolarHBondContact O-CG 3.46Å; S340-Q344 PolarHBondContact O-N 2.93Å
341	E	98.1	Very high	97.3	Very high	85 Å²	85	62.3 Å²	62.3	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-38.5	173.6	-72.5	165.8	143.9	0	0	111.6	M337 T338 Q344 R345	M337-E341 WeakPolarHBondContact CA-OE2 3.2Å; M337-E341 HydrophobicContact CB-CB 4.3Å; T338-E341 PolarHBondContact N-OE2 2.86Å; T338-E341 PolarHBondContact O-N 2.76Å; T338-E341 VanDerWaalsContact OG1-CG 3.27Å; T338-E341 WeakPolarHBondContact OG1-CG 3.34Å; T338-E341 PolarHBondContact OG1-N 3.26Å; T338-E341 VanDerWaalsContact OG1-N 3.16Å; T338-E341 PolarHBondContact OG1-OE2 2.68Å; T338-E341 VanDerWaalsContact OG1-OE2 3.04Å; E341-Q344 PolarHBondContact O-N 2.8Å; E341-R345 WeakPolarHBondContact O-CB 3.47Å; E341-R345 PolarHBondContact O-N 3.04Å
342	I	98	Very high	97.1	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-45	175.9	-63.6	165.9	0	0	0	110.5	I270 C334 M337 T338 Y339 S340 Q344 R345 Y346 F350	I270-I342 HydrophobicContact CD1-CD1 3.54Å; I270-I342 HydrophobicContact CG1-CD1 4.25Å; C334-I342 HydrophobicContact CB-CD1 3.83Å; C334-I342 HydrophobicContact CB-CG1 4.02Å; M337-I342 HydrophobicContact CB-CD1 4.21Å; M337-I342 HydrophobicContact CB-CG1 3.78Å; M337-I342 HydrophobicContact SD-CG1 4.16Å; T338-I342 WeakPolarHBondContact O-CG1 3.22Å; T338-I342 PolarHBondContact O-N 3.45Å; Y339-I342 HydrophobicContact CD1-CD1 4.45Å; Y339-I342 PolarHBondContact O-N 3.23Å; S340-I342 VanDerWaalsContact C-N 3.31Å; S340-I342 PolarHBondContact O-N 3.21Å; I342-Q344 VanDerWaalsContact C-N 3.32Å; I342-Q344 PolarHBondContact O-N 2.9Å; I342-R345 PolarHBondContact O-N 3.4Å; I342-Y346 CarbonylContact O-C 3.58Å; I342-Y346 VanDerWaalsContact O-C 3.29Å; I342-Y346 VanDerWaalsContact O-CA 3.31Å; I342-Y346 WeakPolarHBondContact O-CA 3.21Å; I342-Y346 PolarHBondContact O-N 2.96Å; I342-F350 HydrophobicContact CB-CD2 4.44Å; I342-F350 HydrophobicContact CG2-CB 4.4Å; I342-F350 HydrophobicContact CG2-CD2 4.07Å
343	E	96.9	Very high	97	Very high	97 Å²	97	65.7 Å²	65.7	45%	0.453	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.9	-175.4	173.3	-147.3	0	0	111.9	Y339 S340 P347 F350	Y339-E343 WeakPolarHBondContact O-CB 3.16Å; Y339-E343 PolarHBondContact O-N 3.35Å; S340-E343 PolarHBondContact O-N 3.4Å; E343-P347 VanDerWaalsContact O-CA 3.24Å; E343-P347 WeakPolarHBondContact O-CA 3.31Å; E343-P347 WeakPolarHBondContact O-CB 3.45Å; E343-F350 HydrophobicContact CB-CD1 4.07Å; E343-F350 HydrophobicContact CB-CD2 3.93Å; E343-F350 HydrophobicContact CB-CE1 4.18Å; E343-F350 HydrophobicContact CB-CE2 4.06Å; E343-F350 HydrophobicContact CB-CG 3.92Å; E343-F350 HydrophobicContact CB-CZ 4.17Å; E343-F350 HydrophobicContact CG-CD1 3.88Å; E343-F350 HydrophobicContact CG-CE1 3.98Å; E343-F350 HydrophobicContact CG-CG 4.2Å; E343-F350 HydrophobicContact CG-CZ 4.4Å
344	Q	97.8	Very high	96.8	Very high	150 Å²	150	63.5 Å²	63.5	70%	0.701	31%	0.308	S	S	*	.	H	α-helix	trans	-71.9	-41.4	178.1	-69.8	173.6	13.9	0	0	112.9	S340 E341 I342	S340-Q344 VanDerWaalsContact O-CG 3.31Å; S340-Q344 WeakPolarHBondContact O-CG 3.46Å; S340-Q344 PolarHBondContact O-N 2.93Å; E341-Q344 PolarHBondContact O-N 2.8Å; I342-Q344 VanDerWaalsContact C-N 3.32Å; I342-Q344 PolarHBondContact O-N 2.9Å
345	R	97.8	Very high	96.6	Very high	163 Å²	163	66.7 Å²	66.7	62%	0.615	32%	0.323	S	S	*	.	H	α-helix	trans	-87.3	-32.2	-173.5	-171.4	174.3	178.2	170	0.3	113.5	E341 I342	E341-R345 WeakPolarHBondContact O-CB 3.47Å; E341-R345 PolarHBondContact O-N 3.04Å; I342-R345 PolarHBondContact O-N 3.4Å
346	Y	97.2	Very high	96.4	Very high	64 Å²	64	68.7 Å²	68.7	25%	0.251	33%	0.332	S	S	.	.			trans	-134.9	60.5	-176.6	-54.5	-71.3	0	0	0	110.9	V333 M337 I342 E348 E349 F350	V333-Y346 HydrophobicContact CG2-CE2 4.43Å; M337-Y346 HydrophobicContact CE-CE2 4.15Å; M337-Y346 HydrophobicContact SD-CE2 4.13Å; I342-Y346 CarbonylContact O-C 3.58Å; I342-Y346 VanDerWaalsContact O-C 3.29Å; I342-Y346 VanDerWaalsContact O-CA 3.31Å; I342-Y346 WeakPolarHBondContact O-CA 3.21Å; I342-Y346 PolarHBondContact O-N 2.96Å; Y346-E348 VanDerWaalsContact C-N 3.32Å; Y346-E348 PolarHBondContact O-N 3.23Å; Y346-E349 PolarHBondContact O-N 3.32Å; Y346-F350 PolarHBondContact O-N 2.8Å
347	P	96.7	Very high	96.3	Very high	75 Å²	75	64.1 Å²	64.1	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-38.5	-173.1	22.2	-33.6	0	0	0	113.4	E343 A351	E343-P347 VanDerWaalsContact O-CA 3.24Å; E343-P347 WeakPolarHBondContact O-CA 3.31Å; E343-P347 WeakPolarHBondContact O-CB 3.45Å; P347-A351 WeakPolarHBondContact O-CB 3.25Å; P347-A351 PolarHBondContact O-N 3.19Å
348	E	94.9	Very high	96.3	Very high	153 Å²	153	64.2 Å²	64.2	72%	0.715	31%	0.31	S	S	*	.	H	α-helix	trans	-64.9	-46.3	177.6	-64.2	-177	179.1	0	0	111.7	Y346 F350 A351 L352	Y346-E348 VanDerWaalsContact C-N 3.32Å; Y346-E348 PolarHBondContact O-N 3.23Å; E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 2.72Å; E348-A351 PolarHBondContact O-N 3.28Å; E348-L352 WeakPolarHBondContact O-CB 3.47Å; E348-L352 VanDerWaalsContact O-CG 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.33Å; E348-L352 PolarHBondContact O-N 3.1Å
349	E	95.4	Very high	96.2	Very high	38 Å²	38	65.4 Å²	65.4	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-38.6	179.5	-62.5	-69.2	177	0	0	111.2	Y346 L352 R353 Y360 P363 R466	Y346-E349 PolarHBondContact O-N 3.32Å; E349-L352 PolarHBondContact O-N 3.35Å; E349-R353 WeakPolarHBondContact O-CB 3.08Å; E349-R353 PolarHBondContact O-N 3.46Å; E349-Y360 HydrophobicContact CB-CE2 4.4Å; E349-Y360 WeakPolarHBondContact CB-OH 3.35Å; E349-Y360 WeakPolarHBondContact O-CE2 3.24Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.28Å; E349-Y360 PolarHBondContact OE2-OH 3.19Å; E349-P363 HydrophobicContact CG-CG 4.33Å; E349-R466 IonicContact OE1-NH1 2.6Å
350	F	95.7	Very high	96.2	Very high	22 Å²	22	63.7 Å²	63.7	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-47.7	173.9	-173.2	-93.4	0	0	0	111.7	Y339 I342 E343 Y346 E348 R353 D354 R448	Y339-F350 HydrophobicContact CD1-CE2 4.16Å; I342-F350 HydrophobicContact CB-CD2 4.44Å; I342-F350 HydrophobicContact CG2-CB 4.4Å; I342-F350 HydrophobicContact CG2-CD2 4.07Å; E343-F350 HydrophobicContact CB-CD1 4.07Å; E343-F350 HydrophobicContact CB-CD2 3.93Å; E343-F350 HydrophobicContact CB-CE1 4.18Å; E343-F350 HydrophobicContact CB-CE2 4.06Å; E343-F350 HydrophobicContact CB-CG 3.92Å; E343-F350 HydrophobicContact CB-CZ 4.17Å; E343-F350 HydrophobicContact CG-CD1 3.88Å; E343-F350 HydrophobicContact CG-CE1 3.98Å; E343-F350 HydrophobicContact CG-CG 4.2Å; E343-F350 HydrophobicContact CG-CZ 4.4Å; Y346-F350 PolarHBondContact O-N 2.8Å; E348-F350 VanDerWaalsContact C-N 3.35Å; E348-F350 PolarHBondContact O-N 2.72Å; F350-R353 PolarHBondContact O-N 3.47Å; F350-D354 PolarHBondContact O-N 3.32Å; F350-R448 VanDerWaalsContact CZ-NH2 3.29Å
351	A	94.8	Very high	96.3	Very high	31 Å²	31	65.9 Å²	65.9	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-42.9	177.6	0	0	0	0	0	112.6	P347 E348 R353 D354 Q355	P347-A351 WeakPolarHBondContact O-CB 3.25Å; P347-A351 PolarHBondContact O-N 3.19Å; E348-A351 PolarHBondContact O-N 3.28Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 3.24Å; A351-D354 PolarHBondContact O-N 2.89Å; A351-D354 VanDerWaalsContact O-N 3.16Å; A351-Q355 WeakPolarHBondContact O-CG 3.28Å; A351-Q355 PolarHBondContact O-N 3.09Å; A351-Q355 VanDerWaalsContact O-N 3.08Å
352	L	94.5	Very high	96.3	Very high	74 Å²	74	62.1 Å²	62.1	39%	0.387	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-40.4	176.9	-75.4	171.3	0	0	0	111.8	E348 E349 D354 Q355 E356 Y360	E348-L352 WeakPolarHBondContact O-CB 3.47Å; E348-L352 VanDerWaalsContact O-CG 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.33Å; E348-L352 PolarHBondContact O-N 3.1Å; E349-L352 PolarHBondContact O-N 3.35Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 3.07Å; L352-Q355 PolarHBondContact O-N 2.87Å; L352-E356 PolarHBondContact O-N 3.37Å; L352-Y360 HydrophobicContact CB-CD2 4Å; L352-Y360 HydrophobicContact CB-CE2 4.15Å
353	R	96.5	Very high	96.2	Very high	17 Å²	17	63.2 Å²	63.2	6%	0.064	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-34.7	176	-173.3	172.1	-174.5	-96.9	13.3	112.7	E349 F350 A351 K357 Y360 Y362	E349-R353 WeakPolarHBondContact O-CB 3.08Å; E349-R353 PolarHBondContact O-N 3.46Å; F350-R353 PolarHBondContact O-N 3.47Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 3.24Å; R353-K357 HydrophobicContact CG-CG 4.28Å; R353-K357 WeakPolarHBondContact O-CA 3.4Å; R353-K357 WeakPolarHBondContact O-CB 3.5Å; R353-K357 PolarHBondContact O-N 3.17Å; R353-K357 VanDerWaalsContact O-N 3.09Å; R353-Y360 HydrophobicContact CB-CD1 3.63Å; R353-Y360 HydrophobicContact CB-CD2 3.89Å; R353-Y360 HydrophobicContact CB-CE1 3.81Å; R353-Y360 HydrophobicContact CB-CE2 4.06Å; R353-Y360 HydrophobicContact CB-CG 3.67Å; R353-Y360 HydrophobicContact CG-CD1 3.5Å; R353-Y360 VanDerWaalsContact CG-CD1 3.5Å; R353-Y360 HydrophobicContact CG-CE1 3.9Å; R353-Y360 HydrophobicContact CG-CG 3.89Å; R353-Y362 WeakPolarHBondContact CD-OH 3.45Å; R353-Y362 PolarHBondContact NE-OH 3.42Å; R353-Y362 PolarHBondContact NH2-OH 2.84Å
354	D	93.4	Very high	96.2	Very high	25 Å²	25	62.2 Å²	62.2	13%	0.134	31%	0.313	C	S	.	.	H	α-helix	trans	-72.8	-32.5	177.3	-83.8	-11.8	0	0	0	113.3	F350 A351 L352 R448 P451	F350-D354 PolarHBondContact O-N 3.32Å; A351-D354 PolarHBondContact O-N 2.89Å; A351-D354 VanDerWaalsContact O-N 3.16Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 3.07Å; D354-R448 VanDerWaalsContact CG-NH1 3.32Å; D354-R448 IonicContact OD1-CZ 2.84Å; D354-R448 IonicContact OD1-NH1 3.4Å; D354-R448 PolarHBondContact OD1-NH1 3.12Å; D354-R448 IonicContact OD1-NH2 2.75Å; D354-R448 IonicContact OD2-CZ 3.03Å; D354-R448 IonicContact OD2-NH1 3.01Å; D354-R448 PolarHBondContact OD2-NH1 3.47Å; D354-R448 IonicContact OD2-NH2 3.47Å; D354-R448 PolarHBondContact OD2-NH2 2.78Å; D354-P451 HydrophobicContact CB-CG 4.01Å; D354-P451 VanDerWaalsContact OD2-CG 3.3Å; D354-P451 WeakPolarHBondContact OD2-CG 3.48Å
355	Q	93	Very high	96.2	Very high	67 Å²	67	55.9 Å²	55.9	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-48	175.7	-67.8	168.2	22.9	0	0	111.8	A351 L352 F455	A351-Q355 WeakPolarHBondContact O-CG 3.28Å; A351-Q355 PolarHBondContact O-N 3.09Å; A351-Q355 VanDerWaalsContact O-N 3.08Å; L352-Q355 PolarHBondContact O-N 2.87Å; Q355-F455 HydrophobicContact CG-CD2 4.21Å; Q355-F455 HydrophobicContact CG-CE2 3.94Å
356	E	93.5	Very high	96.3	Very high	98 Å²	98	49.8 Å²	49.8	46%	0.458	27%	0.266	S	S	.	.	S	Bend	trans	-132.3	52.4	-168.7	-74.6	-67.4	161.2	0	0	112.1	L352 Y358 L359 Y360	L352-E356 PolarHBondContact O-N 3.37Å; E356-Y358 PolarHBondContact O-N 3.41Å; E356-L359 PolarHBondContact O-N 3.09Å; E356-L359 VanDerWaalsContact O-N 3.09Å; E356-Y360 VanDerWaalsContact O-CB 3.28Å; E356-Y360 WeakPolarHBondContact O-CB 3.49Å; E356-Y360 PolarHBondContact O-N 3.14Å
357	K	97.6	Very high	96.3	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.043	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.8	-169.5	-161.5	175.5	178.3	-166.6	0	115.4	R353 Y368 P413 Y414	R353-K357 HydrophobicContact CG-CG 4.28Å; R353-K357 WeakPolarHBondContact O-CA 3.4Å; R353-K357 WeakPolarHBondContact O-CB 3.5Å; R353-K357 PolarHBondContact O-N 3.17Å; R353-K357 VanDerWaalsContact O-N 3.09Å; K357-Y368 HydrophobicContact CG-CE2 4.37Å; K357-Y368 WeakPolarHBondContact O-CD2 3.49Å; K357-P413 HydrophobicContact CB-CB 4.14Å; K357-P413 HydrophobicContact CB-CG 4.47Å; K357-P413 HydrophobicContact CD-CB 3.7Å; K357-P413 HydrophobicContact CG-CB 3.81Å; K357-P413 PolarHBondContact NZ-O 3.18Å; K357-Y414 HydrophobicContact CB-CE2 4.26Å; K357-Y414 WeakPolarHBondContact CB-OH 3.17Å; K357-Y414 HydrophobicContact CD-CD1 4.22Å; K357-Y414 HydrophobicContact CD-CE1 3.49Å; K357-Y414 VanDerWaalsContact CD-CE1 3.49Å; K357-Y414 HydrophobicContact CD-CE2 4.06Å; K357-Y414 VanDerWaalsContact CD-CZ 3.41Å; K357-Y414 WeakPolarHBondContact CD-OH 3.42Å
358	Y	97.2	Very high	96.4	Very high	26 Å²	26	43.4 Å²	43.4	10%	0.102	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-44.1	179.1	-180	-101.7	0	0	0	112.5	E356 Y368 Q369 V372 A409 L412 P413	E356-Y358 PolarHBondContact O-N 3.41Å; Y358-Y368 PolarHBondContact O-N 2.93Å; Y358-Q369 HydrophobicContact CE1-CB 3.9Å; Y358-Q369 HydrophobicContact CE1-CG 4.34Å; Y358-Q369 PolarHBondContact O-N 3.2Å; Y358-V372 HydrophobicContact CE2-CG2 4.4Å; Y358-A409 WeakPolarHBondContact CB-O 3.37Å; Y358-A409 HydrophobicContact CD1-CB 3.72Å; Y358-A409 HydrophobicContact CD2-CB 4.01Å; Y358-A409 HydrophobicContact CE1-CB 3.75Å; Y358-A409 HydrophobicContact CE2-CB 4.05Å; Y358-A409 HydrophobicContact CG-CB 3.85Å; Y358-L412 HydrophobicContact CD2-CD2 4.41Å; Y358-L412 HydrophobicContact CE2-CD1 4.16Å; Y358-P413 HydrophobicContact CD2-CG 4.19Å
359	L	96.8	Very high	96.6	Very high	56 Å²	56	37.3 Å²	37.3	29%	0.293	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.4	-175.3	-64.9	177	0	0	0	113.2	E356 R361	E356-L359 PolarHBondContact O-N 3.09Å; E356-L359 VanDerWaalsContact O-N 3.09Å; L359-R361 PolarHBondContact O-N 3.39Å
360	Y	97.7	Very high	96.7	Very high	21 Å²	21	36.8 Å²	36.8	8%	0.082	20%	0.202	C	C	.	.			trans	-59.1	124.2	177	172.9	-87.9	0	0	0	110.4	E349 L352 R353 E356 Y362 S367	E349-Y360 HydrophobicContact CB-CE2 4.4Å; E349-Y360 WeakPolarHBondContact CB-OH 3.35Å; E349-Y360 WeakPolarHBondContact O-CE2 3.24Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.28Å; E349-Y360 PolarHBondContact OE2-OH 3.19Å; L352-Y360 HydrophobicContact CB-CD2 4Å; L352-Y360 HydrophobicContact CB-CE2 4.15Å; R353-Y360 HydrophobicContact CB-CD1 3.63Å; R353-Y360 HydrophobicContact CB-CD2 3.89Å; R353-Y360 HydrophobicContact CB-CE1 3.81Å; R353-Y360 HydrophobicContact CB-CE2 4.06Å; R353-Y360 HydrophobicContact CB-CG 3.67Å; R353-Y360 HydrophobicContact CG-CD1 3.5Å; R353-Y360 VanDerWaalsContact CG-CD1 3.5Å; R353-Y360 HydrophobicContact CG-CE1 3.9Å; R353-Y360 HydrophobicContact CG-CG 3.89Å; E356-Y360 VanDerWaalsContact O-CB 3.28Å; E356-Y360 WeakPolarHBondContact O-CB 3.49Å; E356-Y360 PolarHBondContact O-N 3.14Å; Y360-Y362 AromaticContact CE1-CD1 3.8Å; Y360-Y362 HydrophobicContact CE1-CD1 3.8Å; Y360-Y362 AromaticContact CE1-CD2 3.96Å; Y360-Y362 HydrophobicContact CE1-CD2 3.96Å; Y360-Y362 HydrophobicContact CE1-CE1 4.05Å; Y360-Y362 HydrophobicContact CE1-CE2 4.21Å; Y360-Y362 AromaticContact CE1-CG 3.77Å; Y360-Y362 HydrophobicContact CE1-CG 3.77Å; Y360-S367 WeakPolarHBondContact O-CA 3.26Å; Y360-S367 WeakPolarHBondContact O-CB 3.41Å
361	R	98.3	Very high	96.8	Very high	107 Å²	107	35.8 Å²	35.8	40%	0.404	20%	0.198	S	C	.	.			trans	-107.6	124.2	174	-176.8	-179.7	-68.6	135.5	-1.7	108.8	L359 G365 D370	L359-R361 PolarHBondContact O-N 3.39Å; R361-G365 VanDerWaalsContact CG-O 3.29Å; R361-G365 WeakPolarHBondContact CG-O 3.41Å; R361-D370 IonicContact CZ-OD1 3.53Å; R361-D370 IonicContact CZ-OD2 3.6Å; R361-D370 IonicContact NE-OD1 3.02Å; R361-D370 IonicContact NE-OD2 2.69Å; R361-D370 PolarHBondContact NE-OD2 3.21Å; R361-D370 IonicContact NH2-OD1 3.81Å; R361-D370 PolarHBondContact NH2-OD1 3.23Å; R361-D370 IonicContact NH2-OD2 2.91Å; R361-D370 PolarHBondContact NH2-OD2 2.87Å
362	Y	97.9	Very high	96.9	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.027	19%	0.186	C	C	.	.			trans	-56.9	141.9	173.3	-80.2	-82.6	0	0	0	111.3	A331 C334 R353 Y360 G364 G365 E366	A331-Y362 HydrophobicContact CB-CD1 4.33Å; A331-Y362 HydrophobicContact CB-CD2 4.33Å; A331-Y362 HydrophobicContact CB-CE1 4.34Å; A331-Y362 HydrophobicContact CB-CE2 4.33Å; A331-Y362 HydrophobicContact CB-CG 4.32Å; A331-Y362 WeakPolarHBondContact O-CB 3.46Å; A331-Y362 WeakPolarHBondContact O-CD1 3.47Å; C334-Y362 HydrophobicContact CB-CD1 3.92Å; C334-Y362 HydrophobicContact CB-CE1 3.88Å; R353-Y362 WeakPolarHBondContact CD-OH 3.45Å; R353-Y362 PolarHBondContact NE-OH 3.42Å; R353-Y362 PolarHBondContact NH2-OH 2.84Å; Y360-Y362 AromaticContact CE1-CD1 3.8Å; Y360-Y362 HydrophobicContact CE1-CD1 3.8Å; Y360-Y362 AromaticContact CE1-CD2 3.96Å; Y360-Y362 HydrophobicContact CE1-CD2 3.96Å; Y360-Y362 HydrophobicContact CE1-CE1 4.05Å; Y360-Y362 HydrophobicContact CE1-CE2 4.21Å; Y360-Y362 AromaticContact CE1-CG 3.77Å; Y360-Y362 HydrophobicContact CE1-CG 3.77Å; Y362-G364 PolarHBondContact O-N 3.47Å; Y362-G364 VanDerWaalsContact O-N 3.08Å; Y362-G365 PolarHBondContact O-N 3.44Å; Y362-E366 PolarHBondContact N-O 3.11Å
363	P	97.4	Very high	96.9	Very high	26 Å²	26	34.2 Å²	34.2	17%	0.169	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	117.2	174.2	-22.7	32.5	0	0	0	111.1	V333 E349 G365	V333-P363 HydrophobicContact CG2-CB 3.9Å; V333-P363 HydrophobicContact CG2-CG 4.26Å; V333-P363 PolarHBondContact N-O 2.89Å; E349-P363 HydrophobicContact CG-CG 4.33Å; P363-G365 VanDerWaalsContact C-N 3.27Å; P363-G365 PolarHBondContact O-N 2.98Å
364	G	97.2	Very high	97	Very high	77 Å²	77	35.7 Å²	35.7	79%	0.794	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	10.9	-175	0	0	0	0	0	115.1	Y362	Y362-G364 PolarHBondContact O-N 3.47Å; Y362-G364 VanDerWaalsContact O-N 3.08Å
365	G	97.7	Very high	97.2	Very high	17 Å²	17	34.5 Å²	34.5	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-131.6	-149.5	-179.3	0	0	0	0	0	113.1	D330 R361 Y362 P363	D330-G365 CarbonylContact O-C 3.57Å; D330-G365 WeakPolarHBondContact O-CA 3.37Å; R361-G365 VanDerWaalsContact CG-O 3.29Å; R361-G365 WeakPolarHBondContact CG-O 3.41Å; Y362-G365 PolarHBondContact O-N 3.44Å; P363-G365 VanDerWaalsContact C-N 3.27Å; P363-G365 PolarHBondContact O-N 2.98Å
366	E	98.4	Very high	97.4	Very high	34 Å²	34	32.4 Å²	32.4	16%	0.159	17%	0.173	C	C	.	.			trans	-113.4	159.8	-171.3	-71.9	179.3	134.3	0	0	113	I329 D330 Y362 D370 R374	I329-E366 HydrophobicContact CD1-CB 4.48Å; I329-E366 HydrophobicContact CG1-CB 3.77Å; D330-E366 HydrophobicContact CB-CB 4.38Å; D330-E366 HydrophobicContact CB-CG 3.99Å; D330-E366 PolarHBondContact N-OE2 3.02Å; D330-E366 PolarHBondContact O-N 3.44Å; Y362-E366 PolarHBondContact N-O 3.11Å; E366-D370 HydrophobicContact CB-CB 4.21Å; E366-D370 HydrophobicContact CG-CB 4.28Å; E366-R374 IonicContact OE1-CZ 2.65Å; E366-R374 IonicContact OE1-NE 3.07Å; E366-R374 PolarHBondContact OE1-NE 3.32Å; E366-R374 IonicContact OE1-NH2 2.81Å; E366-R374 PolarHBondContact OE1-NH2 3.22Å; E366-R374 IonicContact OE2-CZ 3.66Å; E366-R374 IonicContact OE2-NE 3.16Å; E366-R374 IonicContact OE2-NH2 3.69Å; E366-R374 PolarHBondContact OE2-NH2 3Å
367	S	98.6	Very high	97.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.171	C	C	.	.			trans	-104	169.2	161.3	63.8	0	0	0	0	110.8	Y360 Q369 D370 L371	Y360-S367 WeakPolarHBondContact O-CA 3.26Å; Y360-S367 WeakPolarHBondContact O-CB 3.41Å; S367-Q369 PolarHBondContact O-N 2.93Å; S367-Q369 PolarHBondContact OG-N 3.31Å; S367-D370 WeakPolarHBondContact CB-OD2 3.3Å; S367-D370 PolarHBondContact N-OD2 2.9Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-N 2.87Å; S367-D370 PolarHBondContact OG-OD2 3.32Å; S367-L371 PolarHBondContact O-N 3.3Å
368	Y	98.6	Very high	97.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-30.6	169.7	-85.1	-84.4	0	0	0	112	I329 K357 Y358 L371 V372 A395 R398 L412 P413	I329-Y368 HydrophobicContact CD1-CD2 4.37Å; K357-Y368 HydrophobicContact CG-CE2 4.37Å; K357-Y368 WeakPolarHBondContact O-CD2 3.49Å; Y358-Y368 PolarHBondContact O-N 2.93Å; Y368-L371 HydrophobicContact CD1-CD2 4.38Å; Y368-L371 WeakPolarHBondContact O-CB 3.42Å; Y368-L371 PolarHBondContact O-N 3.06Å; Y368-V372 WeakPolarHBondContact O-CG2 3.36Å; Y368-V372 PolarHBondContact O-N 3.42Å; Y368-A395 HydrophobicContact CE1-CB 3.59Å; Y368-A395 WeakPolarHBondContact OH-CB 3.45Å; Y368-R398 HydrophobicContact CE1-CB 4.43Å; Y368-R398 PolarHBondContact OH-NH1 3.43Å; Y368-R398 VanDerWaalsContact OH-NH1 3.11Å; Y368-L412 HydrophobicContact CD1-CD2 3.37Å; Y368-L412 HydrophobicContact CE1-CD2 3.92Å; Y368-L412 HydrophobicContact CG-CD2 4.05Å; Y368-P413 HydrophobicContact CD2-CB 3.88Å; Y368-P413 HydrophobicContact CD2-CG 3.94Å; Y368-P413 HydrophobicContact CE2-CB 3.69Å; Y368-P413 HydrophobicContact CE2-CG 4.28Å; Y368-P413 HydrophobicContact CG-CB 4.36Å; Y368-P413 HydrophobicContact CG-CG 4.1Å
369	Q	97.7	Very high	97.7	Very high	25 Å²	25	29.1 Å²	29.1	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-40.8	173.3	-177.4	175.3	66	0	0	112.3	Y358 S367 L371 V372 Q373	Y358-Q369 HydrophobicContact CE1-CB 3.9Å; Y358-Q369 HydrophobicContact CE1-CG 4.34Å; Y358-Q369 PolarHBondContact O-N 3.2Å; S367-Q369 PolarHBondContact O-N 2.93Å; S367-Q369 PolarHBondContact OG-N 3.31Å; Q369-L371 VanDerWaalsContact C-N 3.32Å; Q369-V372 PolarHBondContact O-N 3.4Å; Q369-Q373 WeakPolarHBondContact O-CG 3.48Å; Q369-Q373 PolarHBondContact O-N 2.98Å
370	D	97.9	Very high	97.6	Very high	28 Å²	28	26.5 Å²	26.5	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-41.1	174.6	-58.9	-47.5	0	0	0	110.7	R361 E366 S367 V372 Q373 R374	R361-D370 IonicContact CZ-OD1 3.53Å; R361-D370 IonicContact CZ-OD2 3.6Å; R361-D370 IonicContact NE-OD1 3.02Å; R361-D370 IonicContact NE-OD2 2.69Å; R361-D370 PolarHBondContact NE-OD2 3.21Å; R361-D370 IonicContact NH2-OD1 3.81Å; R361-D370 PolarHBondContact NH2-OD1 3.23Å; R361-D370 IonicContact NH2-OD2 2.91Å; R361-D370 PolarHBondContact NH2-OD2 2.87Å; E366-D370 HydrophobicContact CB-CB 4.21Å; E366-D370 HydrophobicContact CG-CB 4.28Å; S367-D370 WeakPolarHBondContact CB-OD2 3.3Å; S367-D370 PolarHBondContact N-OD2 2.9Å; S367-D370 PolarHBondContact O-N 3.22Å; S367-D370 PolarHBondContact OG-N 2.87Å; S367-D370 PolarHBondContact OG-OD2 3.32Å; D370-V372 PolarHBondContact O-N 3.49Å; D370-Q373 WeakPolarHBondContact O-CB 3.42Å; D370-Q373 PolarHBondContact O-N 2.96Å; D370-R374 WeakPolarHBondContact O-CB 3.36Å; D370-R374 PolarHBondContact O-N 3.08Å
371	L	98.2	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-42	178.3	-175.7	58	0	0	0	112.4	I329 S367 Y368 Q369 Q373 R374 L375 A395 V396 C399	I329-L371 HydrophobicContact CB-CD2 4.25Å; S367-L371 PolarHBondContact O-N 3.3Å; Y368-L371 HydrophobicContact CD1-CD2 4.38Å; Y368-L371 WeakPolarHBondContact O-CB 3.42Å; Y368-L371 PolarHBondContact O-N 3.06Å; Q369-L371 VanDerWaalsContact C-N 3.32Å; L371-Q373 VanDerWaalsContact C-N 3.35Å; L371-Q373 PolarHBondContact O-N 3.45Å; L371-R374 PolarHBondContact O-N 3.16Å; L371-L375 HydrophobicContact CD1-CD1 3.86Å; L371-L375 HydrophobicContact CD1-CG 4.06Å; L371-L375 HydrophobicContact CG-CD1 3.78Å; L371-L375 HydrophobicContact CG-CG 4.39Å; L371-L375 WeakPolarHBondContact O-CB 3.47Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.32Å; L371-L375 PolarHBondContact O-N 2.82Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; L371-V396 HydrophobicContact CD1-CG2 4.09Å; L371-V396 HydrophobicContact CD2-CG2 4.42Å; L371-C399 VanDerWaalsContact CD2-SG 3.58Å
372	V	97.8	Very high	97.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-46.2	173.2	162.2	0	0	0	0	111.1	W66 Y358 Y368 Q369 D370 R374 L375 E376 C399 L412	W66-V372 HydrophobicContact CD2-CG1 4.03Å; W66-V372 HydrophobicContact CE3-CG1 3.96Å; W66-V372 HydrophobicContact CH2-CB 4.45Å; W66-V372 HydrophobicContact CH2-CG1 4Å; W66-V372 VanDerWaalsContact CH2-O 3.23Å; W66-V372 WeakPolarHBondContact CH2-O 3.4Å; W66-V372 HydrophobicContact CZ2-CB 4.33Å; W66-V372 HydrophobicContact CZ2-CG1 4.08Å; W66-V372 HydrophobicContact CZ2-CG2 4.12Å; W66-V372 HydrophobicContact CZ3-CG1 3.93Å; W66-V372 WeakPolarHBondContact O-CG1 3.49Å; Y358-V372 HydrophobicContact CE2-CG2 4.4Å; Y368-V372 WeakPolarHBondContact O-CG2 3.36Å; Y368-V372 PolarHBondContact O-N 3.42Å; Q369-V372 PolarHBondContact O-N 3.4Å; D370-V372 PolarHBondContact O-N 3.49Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.19Å; V372-L375 PolarHBondContact O-N 2.96Å; V372-E376 PolarHBondContact O-N 2.84Å; V372-E376 VanDerWaalsContact O-N 3.16Å; V372-C399 HydrophobicContact CG2-CB 4.44Å; V372-L412 HydrophobicContact CG2-CD1 4.08Å
373	Q	94.6	Very high	97.2	Very high	71 Å²	71	21.5 Å²	21.5	33%	0.332	13%	0.133	S	C	.	.	H	α-helix	trans	-62.6	-42.6	177.7	-67.6	175.3	15.9	0	0	111.6	Q369 D370 L371 L375 E376	Q369-Q373 WeakPolarHBondContact O-CG 3.48Å; Q369-Q373 PolarHBondContact O-N 2.98Å; D370-Q373 WeakPolarHBondContact O-CB 3.42Å; D370-Q373 PolarHBondContact O-N 2.96Å; L371-Q373 VanDerWaalsContact C-N 3.35Å; L371-Q373 PolarHBondContact O-N 3.45Å; Q373-L375 VanDerWaalsContact C-N 3.31Å; Q373-L375 PolarHBondContact O-N 3.2Å; Q373-E376 WeakPolarHBondContact O-CB 3.42Å; Q373-E376 PolarHBondContact O-N 3.26Å
374	R	97.9	Very high	97	Very high	47 Å²	47	26.5 Å²	26.5	18%	0.177	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-33.6	176.9	175.7	163.4	60.9	92.4	-23.6	112.9	I325 N327 E328 E366 D370 L371 V372 P377	I325-R374 VanDerWaalsContact C-NH1 3.28Å; I325-R374 HydrophobicContact CB-CG 3.83Å; I325-R374 HydrophobicContact CG2-CG 3.98Å; I325-R374 PolarHBondContact O-NH1 3.38Å; N327-R374 PolarHBondContact O-NH1 3.47Å; N327-R374 PolarHBondContact O-NH2 3.2Å; E328-R374 PolarHBondContact O-NH2 3.33Å; E366-R374 IonicContact OE1-CZ 2.65Å; E366-R374 IonicContact OE1-NE 3.07Å; E366-R374 PolarHBondContact OE1-NE 3.32Å; E366-R374 IonicContact OE1-NH2 2.81Å; E366-R374 PolarHBondContact OE1-NH2 3.22Å; E366-R374 IonicContact OE2-CZ 3.66Å; E366-R374 IonicContact OE2-NE 3.16Å; E366-R374 IonicContact OE2-NH2 3.69Å; E366-R374 PolarHBondContact OE2-NH2 3Å; D370-R374 WeakPolarHBondContact O-CB 3.36Å; D370-R374 PolarHBondContact O-N 3.08Å; L371-R374 PolarHBondContact O-N 3.16Å; V372-R374 VanDerWaalsContact C-N 3.35Å; V372-R374 PolarHBondContact O-N 3.19Å; R374-P377 WeakPolarHBondContact O-CD 3.47Å
375	L	98.5	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-86.8	-6.2	-178.1	-70.9	172.7	0	0	0	113.9	W66 I325 L326 L371 V372 Q373 P377 V378 I379 V396 C399 L400	W66-L375 HydrophobicContact CH2-CB 3.93Å; W66-L375 HydrophobicContact CZ2-CB 4.36Å; I325-L375 WeakPolarHBondContact O-CD2 3.43Å; L326-L375 HydrophobicContact CD2-CD2 3.93Å; L371-L375 HydrophobicContact CD1-CD1 3.86Å; L371-L375 HydrophobicContact CD1-CG 4.06Å; L371-L375 HydrophobicContact CG-CD1 3.78Å; L371-L375 HydrophobicContact CG-CG 4.39Å; L371-L375 WeakPolarHBondContact O-CB 3.47Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.32Å; L371-L375 PolarHBondContact O-N 2.82Å; V372-L375 PolarHBondContact O-N 2.96Å; Q373-L375 VanDerWaalsContact C-N 3.31Å; Q373-L375 PolarHBondContact O-N 3.2Å; L375-P377 VanDerWaalsContact C-CD 3.5Å; L375-V378 HydrophobicContact CD2-CB 4.42Å; L375-V378 HydrophobicContact CD2-CG2 3.95Å; L375-V378 WeakPolarHBondContact O-CA 3.38Å; L375-V378 WeakPolarHBondContact O-CB 3.42Å; L375-V378 PolarHBondContact O-N 2.73Å; L375-I379 PolarHBondContact O-N 3.43Å; L375-V396 HydrophobicContact CD1-CG1 4.04Å; L375-V396 HydrophobicContact CD2-CG1 3.95Å; L375-C399 HydrophobicContact CD1-CB 3.53Å; L375-L400 HydrophobicContact CD1-CD2 4.41Å
376	E	96.9	Very high	96.6	Very high	24 Å²	24	25.2 Å²	25.2	11%	0.112	13%	0.126	C	C	.	.	H	α-helix	trans	-51.5	-47.1	178.2	-168.3	-170	166.7	0	0	112.6	Y63 W66 I67 K239 V372 Q373 V378 I379 M380	Y63-E376 HydrophobicContact CE2-CG 4.19Å; Y63-E376 PolarHBondContact OH-OE1 3.31Å; W66-E376 HydrophobicContact CZ3-CB 4.38Å; I67-E376 HydrophobicContact CG2-CG 4.24Å; K239-E376 IonicContact NZ-OE1 3.87Å; K239-E376 PolarHBondContact NZ-OE1 3.4Å; K239-E376 IonicContact NZ-OE2 3.86Å; K239-E376 PolarHBondContact NZ-OE2 2.88Å; K239-E376 VanDerWaalsContact NZ-OE2 3.08Å; V372-E376 PolarHBondContact O-N 2.84Å; V372-E376 VanDerWaalsContact O-N 3.16Å; Q373-E376 WeakPolarHBondContact O-CB 3.42Å; Q373-E376 PolarHBondContact O-N 3.26Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 3.31Å; E376-I379 PolarHBondContact O-N 3.05Å; E376-I379 VanDerWaalsContact O-N 3.15Å; E376-M380 WeakPolarHBondContact O-CG 3.48Å; E376-M380 PolarHBondContact O-N 2.96Å
377	P	97.3	Very high	96.5	Very high	64 Å²	64	25.7 Å²	25.7	42%	0.416	13%	0.13	S	C	.	.	H	α-helix	trans	-63.1	-31.5	177.4	-21.1	34.4	0	0	0	113.7	I325 R374 L375 M380 E381	I325-P377 HydrophobicContact CD1-CB 3.93Å; I325-P377 HydrophobicContact CD1-CG 4.22Å; R374-P377 WeakPolarHBondContact O-CD 3.47Å; L375-P377 VanDerWaalsContact C-CD 3.5Å; P377-M380 PolarHBondContact O-N 3.06Å; P377-E381 PolarHBondContact O-N 3.21Å; P377-E381 VanDerWaalsContact O-N 3.09Å
378	V	98.1	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-44.9	175	-178.1	0	0	0	0	109.9	W302 W323 I325 L326 L375 E376 M380 E381 L382 L400	W302-V378 HydrophobicContact CE3-CG1 4.32Å; W302-V378 HydrophobicContact CZ3-CG1 4.03Å; W323-V378 HydrophobicContact CE3-CG2 4.18Å; I325-V378 HydrophobicContact CD1-CG2 3.5Å; I325-V378 VanDerWaalsContact CD1-CG2 3.5Å; I325-V378 HydrophobicContact CG1-CG2 3.68Å; L326-V378 HydrophobicContact CD2-CG1 4Å; L326-V378 HydrophobicContact CD2-CG2 4.07Å; L326-V378 HydrophobicContact CG-CG2 4.24Å; L375-V378 HydrophobicContact CD2-CB 4.42Å; L375-V378 HydrophobicContact CD2-CG2 3.95Å; L375-V378 WeakPolarHBondContact O-CA 3.38Å; L375-V378 WeakPolarHBondContact O-CB 3.42Å; L375-V378 PolarHBondContact O-N 2.73Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 3.31Å; V378-M380 VanDerWaalsContact C-N 3.31Å; V378-M380 PolarHBondContact O-N 3.32Å; V378-E381 PolarHBondContact O-N 3.2Å; V378-L382 HydrophobicContact CG1-CD1 4.12Å; V378-L382 HydrophobicContact CG1-CG 4.31Å; V378-L382 WeakPolarHBondContact O-CG 3.45Å; V378-L382 PolarHBondContact O-N 2.81Å; V378-L400 HydrophobicContact CG1-CD2 4.2Å
379	I	97.6	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-42.4	177	-65.1	-58.4	0	0	0	111	W66 L375 E376 E381 L382 E383 L400 Y403 F404	W66-I379 HydrophobicContact CE3-CG1 4.42Å; W66-I379 HydrophobicContact CH2-CD1 4.45Å; W66-I379 HydrophobicContact CH2-CG1 3.52Å; W66-I379 HydrophobicContact CZ2-CD1 4.42Å; W66-I379 HydrophobicContact CZ2-CG1 3.95Å; W66-I379 HydrophobicContact CZ3-CB 4.47Å; W66-I379 HydrophobicContact CZ3-CG1 3.79Å; L375-I379 PolarHBondContact O-N 3.43Å; E376-I379 PolarHBondContact O-N 3.05Å; E376-I379 VanDerWaalsContact O-N 3.15Å; I379-E381 VanDerWaalsContact C-N 3.31Å; I379-E381 PolarHBondContact O-N 2.96Å; I379-L382 HydrophobicContact CD1-CD1 4.35Å; I379-L382 PolarHBondContact O-N 2.88Å; I379-E383 HydrophobicContact CG2-CG 4.42Å; I379-E383 WeakPolarHBondContact O-CB 3.08Å; I379-E383 VanDerWaalsContact O-CG 3.3Å; I379-E383 WeakPolarHBondContact O-CG 3.08Å; I379-E383 PolarHBondContact O-N 3.1Å; I379-L400 HydrophobicContact CD1-CD2 3.57Å; I379-L400 HydrophobicContact CG1-CD2 4.39Å; I379-Y403 HydrophobicContact CD1-CD1 3.69Å; I379-Y403 HydrophobicContact CD1-CE1 4.38Å; I379-Y403 HydrophobicContact CD1-CG 3.77Å; I379-Y403 HydrophobicContact CG1-CD1 4.48Å; I379-Y403 HydrophobicContact CG1-CG 4.28Å; I379-Y403 HydrophobicContact CG2-CD1 3.86Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.55Å; I379-Y403 HydrophobicContact CG2-CE2 3.56Å; I379-Y403 HydrophobicContact CG2-CG 4Å; I379-F404 HydrophobicContact CD1-CE2 4.48Å
380	M	95.9	Very high	96.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-42.5	177.3	-59.6	-59.1	89.9	0	0	111.7	Y63 Y242 Y243 E376 P377 V378 E383 R384	Y63-M380 HydrophobicContact CD2-CE 3.78Å; Y63-M380 HydrophobicContact CE2-CE 3.46Å; Y63-M380 VanDerWaalsContact CE2-CE 3.46Å; Y63-M380 HydrophobicContact CE2-SD 4.3Å; Y242-M380 HydrophobicContact CD1-SD 4.2Å; Y242-M380 HydrophobicContact CE1-CB 4.44Å; Y242-M380 HydrophobicContact CE1-CG 3.66Å; Y242-M380 HydrophobicContact CE1-SD 3.89Å; Y243-M380 HydrophobicContact CD2-CE 3.55Å; Y243-M380 HydrophobicContact CD2-SD 3.85Å; Y243-M380 HydrophobicContact CE2-CE 3.83Å; E376-M380 WeakPolarHBondContact O-CG 3.48Å; E376-M380 PolarHBondContact O-N 2.96Å; P377-M380 PolarHBondContact O-N 3.06Å; V378-M380 VanDerWaalsContact C-N 3.31Å; V378-M380 PolarHBondContact O-N 3.32Å; M380-E383 PolarHBondContact O-N 2.74Å; M380-R384 PolarHBondContact O-N 3.41Å
381	E	96.3	Very high	96.6	Very high	28 Å²	28	23 Å²	23	13%	0.131	12%	0.116	C	C	.	.	H	α-helix	trans	-69.8	-39.8	179	-164.2	62.8	-145.8	0	0	111.8	W302 W323 P377 V378 I379 E383 R384 Q385	W302-E381 HydrophobicContact CH2-CB 3.53Å; W302-E381 HydrophobicContact CH2-CG 3.25Å; W302-E381 HydrophobicContact CZ2-CB 4.22Å; W302-E381 HydrophobicContact CZ2-CG 3.43Å; W302-E381 VanDerWaalsContact CZ2-CG 3.43Å; W302-E381 HydrophobicContact CZ3-CB 4.26Å; W302-E381 HydrophobicContact CZ3-CG 4.34Å; W323-E381 HydrophobicContact CH2-CB 3.99Å; W323-E381 HydrophobicContact CH2-CG 3.83Å; W323-E381 HydrophobicContact CZ2-CG 4.26Å; P377-E381 PolarHBondContact O-N 3.21Å; P377-E381 VanDerWaalsContact O-N 3.09Å; V378-E381 PolarHBondContact O-N 3.2Å; I379-E381 VanDerWaalsContact C-N 3.31Å; I379-E381 PolarHBondContact O-N 2.96Å; E381-E383 PolarHBondContact O-N 3.26Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.12Å; E381-R384 IonicContact OE1-CZ 3.62Å; E381-R384 IonicContact OE1-NE 3.25Å; E381-R384 PolarHBondContact OE1-NE 2.88Å; E381-R384 IonicContact OE1-NH2 3.42Å; E381-R384 PolarHBondContact OE1-NH2 3.11Å; E381-R384 IonicContact OE2-CZ 2.7Å; E381-R384 IonicContact OE2-NE 2.71Å; E381-R384 PolarHBondContact OE2-NE 2.88Å; E381-R384 IonicContact OE2-NH1 3.53Å; E381-R384 IonicContact OE2-NH2 3.59Å; E381-R384 PolarHBondContact OE2-NH2 3.29Å; E381-Q385 HydrophobicContact CG-CG 4.03Å; E381-Q385 WeakPolarHBondContact O-CB 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.31Å; E381-Q385 PolarHBondContact O-N 3.09Å; E381-Q385 WeakPolarHBondContact OE1-CG 3.44Å; E381-Q385 PolarHBondContact OE1-NE2 2.73Å
382	L	95.9	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-30.8	172.6	-70.7	175.3	0	0	0	112.5	R252 I254 W302 V378 I379 R384 I388 V390 L400 F404	R252-L382 PolarHBondContact NH2-O 2.77Å; I254-L382 HydrophobicContact CD1-CB 4.49Å; I254-L382 HydrophobicContact CG2-CD2 4.28Å; W302-L382 HydrophobicContact CE3-CD2 4.13Å; W302-L382 HydrophobicContact CH2-CD2 4Å; W302-L382 HydrophobicContact CH2-CG 4.3Å; W302-L382 HydrophobicContact CZ3-CD2 3.46Å; W302-L382 VanDerWaalsContact CZ3-CD2 3.46Å; W302-L382 HydrophobicContact CZ3-CG 3.72Å; V378-L382 HydrophobicContact CG1-CD1 4.12Å; V378-L382 HydrophobicContact CG1-CG 4.31Å; V378-L382 WeakPolarHBondContact O-CG 3.45Å; V378-L382 PolarHBondContact O-N 2.81Å; I379-L382 HydrophobicContact CD1-CD1 4.35Å; I379-L382 PolarHBondContact O-N 2.88Å; L382-R384 VanDerWaalsContact C-N 3.34Å; L382-I388 HydrophobicContact CD2-CB 4.22Å; L382-I388 HydrophobicContact CD2-CD1 3.86Å; L382-I388 HydrophobicContact CD2-CG2 3.88Å; L382-V390 HydrophobicContact CD2-CG2 3.91Å; L382-L400 HydrophobicContact CD1-CD2 4.36Å; L382-F404 HydrophobicContact CB-CZ 4.05Å; L382-F404 HydrophobicContact CD1-CE2 3.79Å; L382-F404 HydrophobicContact CD1-CZ 3.86Å
383	E	93.9	Very high	96.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-74.4	-26.6	176.9	-75.8	-65.6	-177.2	0	0	113.5	K59 R62 Y243 N246 I247 H248 R252 I379 M380 E381 Y403	K59-E383 WeakPolarHBondContact CE-OE1 3.5Å; K59-E383 WeakPolarHBondContact CE-OE2 3.17Å; K59-E383 IonicContact NZ-OE1 3.1Å; K59-E383 IonicContact NZ-OE2 3.39Å; K59-E383 PolarHBondContact NZ-OE2 3.03Å; R62-E383 IonicContact NH2-OE1 3.67Å; Y243-E383 HydrophobicContact CE2-CG 4.34Å; N246-E383 CarbonylContact O-C 3.55Å; N246-E383 VanDerWaalsContact O-C 3.25Å; I247-E383 HydrophobicContact CG2-CB 4.18Å; I247-E383 HydrophobicContact CG2-CG 4.33Å; H248-E383 PolarHBondContact CD2-O 2.93Å; H248-E383 PolarHBondContact NE2-O 2.82Å; R252-E383 PolarHBondContact NH2-O 2.94Å; R252-E383 IonicContact NH2-OE2 3.91Å; R252-E383 PolarHBondContact NH2-OE2 3.25Å; I379-E383 HydrophobicContact CG2-CG 4.42Å; I379-E383 WeakPolarHBondContact O-CB 3.08Å; I379-E383 VanDerWaalsContact O-CG 3.3Å; I379-E383 WeakPolarHBondContact O-CG 3.08Å; I379-E383 PolarHBondContact O-N 3.1Å; M380-E383 PolarHBondContact O-N 2.74Å; E381-E383 PolarHBondContact O-N 3.26Å; E383-Y403 HydrophobicContact CG-CE1 4.39Å; E383-Y403 WeakPolarHBondContact CG-OH 3.34Å; E383-Y403 VanDerWaalsContact OE1-CE1 3.26Å; E383-Y403 WeakPolarHBondContact OE1-CE1 3.5Å; E383-Y403 VanDerWaalsContact OE1-CZ 3.3Å; E383-Y403 PolarHBondContact OE1-OH 3Å
384	R	92.5	Very high	96.9	Very high	131 Å²	131	20.4 Å²	20.4	49%	0.494	10%	0.104	S	C	.	.	H	α-helix	trans	-86.5	-30.7	-179.3	-173.4	173.7	76.8	173.3	7.4	113.8	N246 H248 M380 E381 L382	N246-R384 VanDerWaalsContact O-CA 3.3Å; N246-R384 WeakPolarHBondContact O-CA 3.31Å; N246-R384 PolarHBondContact O-N 3.22Å; H248-R384 PolarHBondContact CD2-O 2.91Å; H248-R384 PolarHBondContact NE2-O 2.93Å; M380-R384 PolarHBondContact O-N 3.41Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.12Å; E381-R384 IonicContact OE1-CZ 3.62Å; E381-R384 IonicContact OE1-NE 3.25Å; E381-R384 PolarHBondContact OE1-NE 2.88Å; E381-R384 IonicContact OE1-NH2 3.42Å; E381-R384 PolarHBondContact OE1-NH2 3.11Å; E381-R384 IonicContact OE2-CZ 2.7Å; E381-R384 IonicContact OE2-NE 2.71Å; E381-R384 PolarHBondContact OE2-NE 2.88Å; E381-R384 IonicContact OE2-NH1 3.53Å; E381-R384 IonicContact OE2-NH2 3.59Å; E381-R384 PolarHBondContact OE2-NH2 3.29Å; L382-R384 VanDerWaalsContact C-N 3.34Å
385	Q	92.6	Very high	96.9	Very high	32 Å²	32	18.2 Å²	18.2	15%	0.15	10%	0.096	C	C	.	.			trans	-93.6	163.3	-169	-68	-69.8	-13.9	0	0	113.1	H248 R252 K300 W302 E381 I388	H248-Q385 PolarHBondContact NE2-O 3.24Å; H248-Q385 VanDerWaalsContact NE2-O 3.13Å; R252-Q385 WeakPolarHBondContact CD-O 3.49Å; R252-Q385 PolarHBondContact NE-O 3.06Å; R252-Q385 VanDerWaalsContact NE-O 3.15Å; K300-Q385 VanDerWaalsContact NZ-CD 3.29Å; W302-Q385 HydrophobicContact CZ2-CG 4.29Å; E381-Q385 HydrophobicContact CG-CG 4.03Å; E381-Q385 WeakPolarHBondContact O-CB 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.31Å; E381-Q385 PolarHBondContact O-N 3.09Å; E381-Q385 WeakPolarHBondContact OE1-CG 3.44Å; E381-Q385 PolarHBondContact OE1-NE2 2.73Å; Q385-I388 HydrophobicContact CB-CD1 3.21Å; Q385-I388 HydrophobicContact CB-CG1 3.99Å; Q385-I388 HydrophobicContact CG-CD1 3.73Å
386	G	93.5	Very high	97	Very high	35 Å²	35	18.2 Å²	18.2	36%	0.361	10%	0.096	S	C	.	.	S	Bend	trans	-80.7	-123.6	173.1	0	0	0	0	0	113.3	R252 I388	R252-G386 WeakPolarHBondContact CD-O 3.32Å; G386-I388 PolarHBondContact O-N 3.13Å
387	N	97	Very high	97	Very high	43 Å²	43	17.1 Å²	17.1	23%	0.23	9%	0.091	C	C	.	.	S	Bend	trans	-73.9	123.6	-177.3	-62.9	-35	0	0	0	111.4	T253 I296 Q297 L299 K300	T253-N387 PolarHBondContact N-OD1 2.79Å; T253-N387 WeakPolarHBondContact O-CA 3.48Å; I296-N387 HydrophobicContact CG2-CB 3.65Å; Q297-N387 PolarHBondContact O-ND2 3.44Å; L299-N387 HydrophobicContact CD1-CB 4.34Å; K300-N387 PolarHBondContact N-O 3.45Å
388	I	98.1	Very high	97.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138	-177.7	-63.4	-171.1	0	0	0	110.9	T253 I254 Y255 K300 W302 L382 Q385 G386 V390	T253-I388 PolarHBondContact O-N 3.46Å; I254-I388 CarbonylContact C-O 3.53Å; I254-I388 WeakPolarHBondContact CA-O 3.34Å; Y255-I388 PolarHBondContact N-O 3.4Å; K300-I388 HydrophobicContact CB-CG1 4.24Å; K300-I388 CarbonylContact O-C 3.6Å; K300-I388 WeakPolarHBondContact O-CA 3.06Å; W302-I388 HydrophobicContact CD2-CG2 4.2Å; W302-I388 HydrophobicContact CE3-CG2 4.22Å; W302-I388 HydrophobicContact CH2-CD1 3.47Å; W302-I388 VanDerWaalsContact CH2-CD1 3.47Å; W302-I388 HydrophobicContact CZ2-CD1 3.52Å; W302-I388 HydrophobicContact CZ3-CD1 4.12Å; L382-I388 HydrophobicContact CD2-CB 4.22Å; L382-I388 HydrophobicContact CD2-CD1 3.86Å; L382-I388 HydrophobicContact CD2-CG2 3.88Å; Q385-I388 HydrophobicContact CB-CD1 3.21Å; Q385-I388 HydrophobicContact CB-CG1 3.99Å; Q385-I388 HydrophobicContact CG-CD1 3.73Å; G386-I388 PolarHBondContact O-N 3.13Å; I388-V390 HydrophobicContact CG2-CG2 3.7Å
389	L	98.8	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.6	160.6	171.3	64.6	0	0	0	110.2	Y255 L287 L291 L299 K300 V301 W302 L316 I391	Y255-L389 CarbonylContact O-C 3.29Å; Y255-L389 WeakPolarHBondContact O-CA 3.3Å; L287-L389 HydrophobicContact CD2-CD2 4.42Å; L291-L389 HydrophobicContact CD1-CD2 3.76Å; L291-L389 HydrophobicContact CD2-CD2 4.34Å; L299-L389 HydrophobicContact CD1-CB 4.12Å; L299-L389 HydrophobicContact CD2-CB 4.49Å; K300-L389 PolarHBondContact O-N 2.83Å; V301-L389 CarbonylContact C-O 3.59Å; V301-L389 WeakPolarHBondContact CA-O 3.4Å; V301-L389 HydrophobicContact CG1-CD2 4.31Å; V301-L389 HydrophobicContact CG2-CB 4.38Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; W302-L389 PolarHBondContact N-O 3.27Å; L316-L389 HydrophobicContact CD1-CD2 4.04Å; L389-I391 HydrophobicContact CD1-CG1 4.35Å; L389-I391 HydrophobicContact CD2-CD1 4.12Å; L389-I391 HydrophobicContact CD2-CG1 4.09Å; L389-I391 HydrophobicContact CG-CG1 3.97Å
390	V	98.9	Very high	97.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.8	172.4	-171.8	0	0	0	0	109.8	Y255 L256 C257 W302 L326 L382 I388 L400	Y255-V390 PolarHBondContact O-N 3.46Å; L256-V390 HydrophobicContact CD2-CB 3.69Å; L256-V390 HydrophobicContact CD2-CG2 3.86Å; C257-V390 PolarHBondContact N-O 3.37Å; C257-V390 VanDerWaalsContact N-O 3.09Å; C257-V390 VanDerWaalsContact O-O 3.11Å; W302-V390 HydrophobicContact CE3-CG2 4.03Å; L326-V390 HydrophobicContact CD1-CG1 3.8Å; L326-V390 HydrophobicContact CD2-CG1 4.03Å; L382-V390 HydrophobicContact CD2-CG2 3.91Å; I388-V390 HydrophobicContact CG2-CG2 3.7Å; V390-L400 HydrophobicContact CG1-CD1 4.15Å
391	I	98.9	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.5	174.4	-49.6	179.3	0	0	0	108.2	C257 L287 V301 W302 T303 T309 T312 A313 L316 L389	C257-I391 WeakPolarHBondContact O-CA 3.42Å; L287-I391 HydrophobicContact CD2-CD1 4.14Å; V301-I391 HydrophobicContact CG1-CD1 4.13Å; V301-I391 HydrophobicContact CG1-CG1 4.49Å; W302-I391 PolarHBondContact O-N 3.16Å; T303-I391 WeakPolarHBondContact CA-O 3.42Å; T303-I391 HydrophobicContact CG2-CB 4.41Å; T309-I391 HydrophobicContact CG2-CG2 4.28Å; T309-I391 WeakPolarHBondContact CG2-O 3.47Å; T312-I391 HydrophobicContact CG2-CD1 4.09Å; T312-I391 HydrophobicContact CG2-CG2 4.02Å; A313-I391 HydrophobicContact CB-CD1 4.06Å; L316-I391 HydrophobicContact CD1-CD1 4.02Å; L389-I391 HydrophobicContact CD1-CG1 4.35Å; L389-I391 HydrophobicContact CD2-CD1 4.12Å; L389-I391 HydrophobicContact CD2-CG1 4.09Å; L389-I391 HydrophobicContact CG-CG1 3.97Å
392	S	98.8	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-142.8	-171.7	67.4	0	0	0	0	112.3	C257 R258 H259	C257-S392 PolarHBondContact O-N 2.91Å; R258-S392 CarbonylContact C-O 3.56Å; R258-S392 WeakPolarHBondContact CA-O 3.34Å; H259-S392 PolarHBondContact CD2-O 2.95Å; H259-S392 VanDerWaalsContact CD2-O 3.26Å; H259-S392 PolarHBondContact N-O 3.46Å
393	H	98.9	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.			trans	-133.6	175.4	-170.7	-52	-88.8	0	0	0	111.1	H259 S304 R308 L326 E328 V396 M397	H259-H393 AromaticContact CD2-CE1 3.85Å; H259-H393 AromaticContact CD2-ND1 3.25Å; H259-H393 PolarHBondContact CD2-ND1 3.33Å; H259-H393 AromaticContact NE2-ND1 3.58Å; S304-H393 VanDerWaalsContact CB-NE2 3.29Å; S304-H393 WeakPolarHBondContact CB-NE2 3.29Å; S304-H393 PolarHBondContact OG-NE2 3.21Å; R308-H393 PolarHBondContact NE-CE1 2.77Å; R308-H393 PolarHBondContact NE-ND1 3.43Å; R308-H393 PolarHBondContact NH2-CE1 2.67Å; R308-H393 PolarHBondContact NH2-ND1 3.44Å; L326-H393 PolarHBondContact O-CD2 3.09Å; L326-H393 VanDerWaalsContact O-CD2 3.23Å; E328-H393 HydrophobicContact CB-CB 3.72Å; E328-H393 HydrophobicContact CG-CB 3.88Å; E328-H393 PolarHBondContact N-CD2 3.09Å; E328-H393 VanDerWaalsContact N-CD2 3.32Å; E328-H393 WeakPolarHBondContact OE1-CB 3.38Å; E328-H393 WeakPolarHBondContact OE2-CB 3.36Å; H393-V396 HydrophobicContact CB-CG2 4.45Å; H393-M397 WeakPolarHBondContact O-CB 3.27Å; H393-M397 PolarHBondContact O-N 3.45Å
394	Q	98.7	Very high	97.6	Very high	19 Å²	19	13 Å²	13	9%	0.089	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-48.6	-171.4	-173.7	170.8	-99.2	0	0	112.2	E328 R398 T446	E328-Q394 PolarHBondContact OE2-N 2.69Å; Q394-R398 WeakPolarHBondContact O-CG 3.37Å; Q394-R398 PolarHBondContact O-N 3.09Å; Q394-T446 PolarHBondContact NE2-O 3.27Å; Q394-T446 VanDerWaalsContact NE2-O 3.11Å; Q394-T446 PolarHBondContact OE1-O 3.44Å; Q394-T446 PolarHBondContact OE1-OG1 3.47Å
395	A	98.7	Very high	97.8	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.017	6%	0.056	C	C	.	.	H	α-helix	trans	-73.1	-39	-178.6	0	0	0	0	0	111.8	E328 I329 Y368 L371 R398 C399	E328-A395 WeakPolarHBondContact OE1-CB 3.13Å; E328-A395 PolarHBondContact OE1-N 3.43Å; E328-A395 VanDerWaalsContact OE1-N 3.09Å; E328-A395 PolarHBondContact OE2-N 3.27Å; E328-A395 VanDerWaalsContact OE2-N 3.14Å; I329-A395 HydrophobicContact CB-CB 3.82Å; I329-A395 HydrophobicContact CG2-CB 3.56Å; Y368-A395 HydrophobicContact CE1-CB 3.59Å; Y368-A395 WeakPolarHBondContact OH-CB 3.45Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; A395-R398 WeakPolarHBondContact O-CB 3.49Å; A395-R398 PolarHBondContact O-N 2.99Å; A395-C399 PolarHBondContact O-N 3.11Å; A395-C399 PolarHBondContact O-SG 2.84Å
396	V	98.9	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-52	175.8	174.8	0	0	0	0	111.3	L326 N327 E328 L371 L375 H393 R398 C399 L400	L326-V396 HydrophobicContact CD2-CG1 3.82Å; N327-V396 WeakPolarHBondContact O-CG2 3.46Å; E328-V396 PolarHBondContact OE1-N 3.06Å; L371-V396 HydrophobicContact CD1-CG2 4.09Å; L371-V396 HydrophobicContact CD2-CG2 4.42Å; L375-V396 HydrophobicContact CD1-CG1 4.04Å; L375-V396 HydrophobicContact CD2-CG1 3.95Å; H393-V396 HydrophobicContact CB-CG2 4.45Å; V396-R398 VanDerWaalsContact C-N 3.29Å; V396-R398 PolarHBondContact O-N 3.5Å; V396-C399 WeakPolarHBondContact O-CB 3.35Å; V396-C399 PolarHBondContact O-N 3.33Å; V396-C399 VanDerWaalsContact O-N 3.09Å; V396-L400 HydrophobicContact CG1-CD1 4.26Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.35Å; V396-L400 VanDerWaalsContact O-N 3.07Å
397	M	98.8	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-34.9	-178.2	-174.8	173	172.8	0	0	112.2	L256 R258 H393 L400 L401 C417 F423	L256-M397 HydrophobicContact CB-CE 3.81Å; L256-M397 HydrophobicContact CB-CG 4.33Å; L256-M397 HydrophobicContact CB-SD 4.46Å; L256-M397 VanDerWaalsContact O-CE 3.32Å; L256-M397 WeakPolarHBondContact O-CE 2.88Å; R258-M397 HydrophobicContact CG-SD 3.88Å; H393-M397 WeakPolarHBondContact O-CB 3.27Å; H393-M397 PolarHBondContact O-N 3.45Å; M397-L400 PolarHBondContact O-N 3.31Å; M397-L401 HydrophobicContact CE-CD1 4.05Å; M397-L401 HydrophobicContact CG-CD1 4.03Å; M397-L401 HydrophobicContact CG-CG 4.41Å; M397-L401 WeakPolarHBondContact O-CB 3.42Å; M397-L401 WeakPolarHBondContact O-CG 3.43Å; M397-L401 PolarHBondContact O-N 2.91Å; M397-C417 HydrophobicContact CE-CB 4.35Å; M397-C417 HydrophobicContact CG-CB 4.22Å; M397-C417 HydrophobicContact SD-CB 3.93Å; M397-F423 HydrophobicContact CE-CB 3.97Å; M397-F423 HydrophobicContact CE-CD2 3.14Å; M397-F423 HydrophobicContact CE-CE2 3.7Å; M397-F423 HydrophobicContact CE-CG 3.65Å
398	R	98.8	Very high	98	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-58.5	-46.3	171.3	-76.4	174.5	170.4	149.8	6	112	Y368 Q394 A395 V396 L401 A402 L412 P413 L415 H447	Y368-R398 HydrophobicContact CE1-CB 4.43Å; Y368-R398 PolarHBondContact OH-NH1 3.43Å; Y368-R398 VanDerWaalsContact OH-NH1 3.11Å; Q394-R398 WeakPolarHBondContact O-CG 3.37Å; Q394-R398 PolarHBondContact O-N 3.09Å; A395-R398 WeakPolarHBondContact O-CB 3.49Å; A395-R398 PolarHBondContact O-N 2.99Å; V396-R398 VanDerWaalsContact C-N 3.29Å; V396-R398 PolarHBondContact O-N 3.5Å; R398-L401 PolarHBondContact O-N 3.35Å; R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.27Å; R398-A402 PolarHBondContact O-N 3.44Å; R398-L412 WeakPolarHBondContact CB-O 3.38Å; R398-P413 VanDerWaalsContact CZ-O 3.3Å; R398-P413 PolarHBondContact NE-O 3Å; R398-P413 PolarHBondContact NH1-O 3.32Å; R398-L415 HydrophobicContact CG-CB 4.09Å; R398-L415 PolarHBondContact NE-O 3.17Å; R398-L415 PolarHBondContact NH2-O 3.11Å; R398-H447 PolarHBondContact NH2-CE1 3.07Å; R398-H447 PolarHBondContact NH2-ND1 3.12Å; R398-H447 VanDerWaalsContact NH2-ND1 3.13Å
399	C	98.8	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-44.6	177.6	-67.6	0	0	0	0	112	W66 L371 V372 L375 A395 V396 A402 Y403	W66-C399 HydrophobicContact CZ2-CB 4.34Å; W66-C399 PolarHBondContact NE1-O 3.31Å; L371-C399 VanDerWaalsContact CD2-SG 3.58Å; V372-C399 HydrophobicContact CG2-CB 4.44Å; L375-C399 HydrophobicContact CD1-CB 3.53Å; A395-C399 PolarHBondContact O-N 3.11Å; A395-C399 PolarHBondContact O-SG 2.84Å; V396-C399 WeakPolarHBondContact O-CB 3.35Å; V396-C399 PolarHBondContact O-N 3.33Å; V396-C399 VanDerWaalsContact O-N 3.09Å; C399-A402 PolarHBondContact O-N 2.84Å; C399-Y403 PolarHBondContact O-N 3.4Å; C399-Y403 VanDerWaalsContact O-N 3.16Å
400	L	98.7	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-45.8	178.2	-61.5	179.5	0	0	0	111.5	L256 L326 L375 V378 I379 L382 V390 V396 M397 A402 Y403 F404	L256-L400 HydrophobicContact CD1-CB 3.96Å; L256-L400 HydrophobicContact CD2-CD1 4.18Å; L326-L400 HydrophobicContact CD2-CD1 4.44Å; L375-L400 HydrophobicContact CD1-CD2 4.41Å; V378-L400 HydrophobicContact CG1-CD2 4.2Å; I379-L400 HydrophobicContact CD1-CD2 3.57Å; I379-L400 HydrophobicContact CG1-CD2 4.39Å; L382-L400 HydrophobicContact CD1-CD2 4.36Å; V390-L400 HydrophobicContact CG1-CD1 4.15Å; V396-L400 HydrophobicContact CG1-CD1 4.26Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.35Å; V396-L400 VanDerWaalsContact O-N 3.07Å; M397-L400 PolarHBondContact O-N 3.31Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.29Å; L400-Y403 WeakPolarHBondContact O-CB 3.38Å; L400-Y403 PolarHBondContact O-N 2.7Å; L400-F404 WeakPolarHBondContact O-CD2 3.45Å; L400-F404 PolarHBondContact O-N 3.02Å; L400-F404 VanDerWaalsContact O-N 3.17Å
401	L	98.4	Very high	97.5	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176	-77.9	169.4	0	0	0	111.8	L256 M397 R398 Y403 F404 L405 L415 C417 F423 L425	L256-L401 HydrophobicContact CD1-CD2 3.92Å; L256-L401 HydrophobicContact CD1-CG 3.96Å; M397-L401 HydrophobicContact CE-CD1 4.05Å; M397-L401 HydrophobicContact CG-CD1 4.03Å; M397-L401 HydrophobicContact CG-CG 4.41Å; M397-L401 WeakPolarHBondContact O-CB 3.42Å; M397-L401 WeakPolarHBondContact O-CG 3.43Å; M397-L401 PolarHBondContact O-N 2.91Å; R398-L401 PolarHBondContact O-N 3.35Å; L401-Y403 PolarHBondContact O-N 3.33Å; L401-F404 PolarHBondContact O-N 3.38Å; L401-F404 VanDerWaalsContact O-N 3.16Å; L401-L405 HydrophobicContact CB-CD1 4.46Å; L401-L405 HydrophobicContact CD2-CD1 4.16Å; L401-L405 VanDerWaalsContact O-CB 3.28Å; L401-L405 WeakPolarHBondContact O-CB 3.31Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.01Å; L401-L405 PolarHBondContact O-N 2.69Å; L401-L415 HydrophobicContact CB-CD1 4.2Å; L401-C417 WeakPolarHBondContact CD1-SG 3.49Å; L401-F423 HydrophobicContact CD1-CD1 4.03Å; L401-F423 HydrophobicContact CD1-CE1 4.1Å; L401-F423 HydrophobicContact CD1-CG 4.42Å; L401-F423 HydrophobicContact CD2-CB 4.32Å; L401-F423 HydrophobicContact CD2-CD1 3.87Å; L401-F423 HydrophobicContact CD2-CG 4.33Å; L401-L425 HydrophobicContact CD2-CD1 4.3Å; L401-L425 HydrophobicContact CD2-CD2 4.04Å
402	A	98.3	Very high	97.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-35.6	177.8	0	0	0	0	0	112.4	R398 C399 L400 D406 K407 L412 L415	R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.27Å; R398-A402 PolarHBondContact O-N 3.44Å; C399-A402 PolarHBondContact O-N 2.84Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.29Å; A402-D406 WeakPolarHBondContact O-CA 3.37Å; A402-D406 PolarHBondContact O-N 2.86Å; A402-K407 HydrophobicContact CB-CB 3.98Å; A402-K407 PolarHBondContact O-N 2.97Å; A402-L412 HydrophobicContact CB-CB 3.8Å; A402-L412 HydrophobicContact CB-CD1 3.52Å; A402-L412 HydrophobicContact CB-CG 3.51Å; A402-L415 HydrophobicContact CB-CD1 3.86Å
403	Y	97.9	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-53.5	171.7	173.6	-99.6	0	0	0	111.8	R62 Y63 W66 Y243 I379 E383 C399 L400 L401 L405	R62-Y403 WeakPolarHBondContact CD-O 3.17Å; R62-Y403 VanDerWaalsContact CG-O 3.31Å; R62-Y403 WeakPolarHBondContact CG-O 3.42Å; R62-Y403 PolarHBondContact NE-O 2.89Å; Y63-Y403 HydrophobicContact CD2-CE2 4.35Å; W66-Y403 HydrophobicContact CB-CD2 4.01Å; W66-Y403 VanDerWaalsContact CD1-CA 3.5Å; W66-Y403 HydrophobicContact CD2-CD2 4.01Å; W66-Y403 HydrophobicContact CD2-CG 4.47Å; W66-Y403 HydrophobicContact CE3-CD2 4.32Å; W66-Y403 AromaticContact CG-CD2 3.87Å; W66-Y403 HydrophobicContact CG-CD2 3.87Å; W66-Y403 HydrophobicContact CG-CG 4.41Å; Y243-Y403 PolarHBondContact OH-OH 3.03Å; I379-Y403 HydrophobicContact CD1-CD1 3.69Å; I379-Y403 HydrophobicContact CD1-CE1 4.38Å; I379-Y403 HydrophobicContact CD1-CG 3.77Å; I379-Y403 HydrophobicContact CG1-CD1 4.48Å; I379-Y403 HydrophobicContact CG1-CG 4.28Å; I379-Y403 HydrophobicContact CG2-CD1 3.86Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.55Å; I379-Y403 HydrophobicContact CG2-CE2 3.56Å; I379-Y403 HydrophobicContact CG2-CG 4Å; E383-Y403 HydrophobicContact CG-CE1 4.39Å; E383-Y403 WeakPolarHBondContact CG-OH 3.34Å; E383-Y403 VanDerWaalsContact OE1-CE1 3.26Å; E383-Y403 WeakPolarHBondContact OE1-CE1 3.5Å; E383-Y403 VanDerWaalsContact OE1-CZ 3.3Å; E383-Y403 PolarHBondContact OE1-OH 3Å; C399-Y403 PolarHBondContact O-N 3.4Å; C399-Y403 VanDerWaalsContact O-N 3.16Å; L400-Y403 WeakPolarHBondContact O-CB 3.38Å; L400-Y403 PolarHBondContact O-N 2.7Å; L401-Y403 PolarHBondContact O-N 3.33Å; Y403-L405 VanDerWaalsContact C-N 3.31Å; Y403-L405 PolarHBondContact O-N 2.85Å
404	F	96.4	Very high	97.3	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-70.1	-28.5	-175.2	-71.8	-69.5	0	0	0	113.4	R62 I254 I379 L382 L400 L401 L425 C432	R62-F404 PolarHBondContact NH1-O 2.98Å; I254-F404 HydrophobicContact CD1-CE1 3.6Å; I254-F404 HydrophobicContact CD1-CE2 4.32Å; I254-F404 HydrophobicContact CD1-CZ 3.49Å; I254-F404 VanDerWaalsContact CD1-CZ 3.49Å; I379-F404 HydrophobicContact CD1-CE2 4.48Å; L382-F404 HydrophobicContact CB-CZ 4.05Å; L382-F404 HydrophobicContact CD1-CE2 3.79Å; L382-F404 HydrophobicContact CD1-CZ 3.86Å; L400-F404 WeakPolarHBondContact O-CD2 3.45Å; L400-F404 PolarHBondContact O-N 3.02Å; L400-F404 VanDerWaalsContact O-N 3.17Å; L401-F404 PolarHBondContact O-N 3.38Å; L401-F404 VanDerWaalsContact O-N 3.16Å; F404-L425 HydrophobicContact CB-CD1 3.9Å; F404-L425 HydrophobicContact CD2-CD1 3.56Å; F404-L425 HydrophobicContact CE2-CD1 4.27Å; F404-L425 HydrophobicContact CG-CD1 3.77Å; F404-C432 HydrophobicContact CB-CB 4.44Å; F404-C432 VanDerWaalsContact O-CB 3.32Å; F404-C432 WeakPolarHBondContact O-CB 3.36Å
405	L	96	Very high	97.3	Very high	54 Å²	54	29.3 Å²	29.3	28%	0.283	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	6	-176	-52.3	-173.8	0	0	0	113.9	L401 Y403 K407 L425 C432 V434	L401-L405 HydrophobicContact CB-CD1 4.46Å; L401-L405 HydrophobicContact CD2-CD1 4.16Å; L401-L405 VanDerWaalsContact O-CB 3.28Å; L401-L405 WeakPolarHBondContact O-CB 3.31Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.01Å; L401-L405 PolarHBondContact O-N 2.69Å; Y403-L405 VanDerWaalsContact C-N 3.31Å; Y403-L405 PolarHBondContact O-N 2.85Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 HydrophobicContact CB-CG 3.96Å; L405-K407 PolarHBondContact O-N 2.93Å; L405-L425 HydrophobicContact CD2-CD2 4.45Å; L405-C432 HydrophobicContact CD2-CB 4.26Å; L405-V434 HydrophobicContact CD1-CG2 3.97Å; L405-V434 HydrophobicContact CD2-CG2 3.13Å; L405-V434 HydrophobicContact CG-CG2 4.15Å
406	D	96.3	Very high	97.3	Very high	102 Å²	102	35.7 Å²	35.7	55%	0.545	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	49.7	178.7	-162.6	29.5	0	0	0	112.2	R62 A402	R62-D406 HydrophobicContact CG-CB 4.04Å; A402-D406 WeakPolarHBondContact O-CA 3.37Å; A402-D406 PolarHBondContact O-N 2.86Å
407	K	97.1	Very high	97.2	Very high	75 Å²	75	35.8 Å²	35.8	33%	0.326	19%	0.186	S	C	.	.			trans	-97.3	132.2	-179.7	-61.1	-60	-162.4	163.5	0	111.1	A402 L405 E411 L415	A402-K407 HydrophobicContact CB-CB 3.98Å; A402-K407 PolarHBondContact O-N 2.97Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 HydrophobicContact CB-CG 3.96Å; L405-K407 PolarHBondContact O-N 2.93Å; K407-E411 HydrophobicContact CB-CB 4.42Å; K407-E411 IonicContact NZ-OE1 3.87Å; K407-E411 IonicContact NZ-OE2 3.92Å; K407-E411 PolarHBondContact NZ-OE2 3.25Å; K407-L415 HydrophobicContact CB-CD1 4.22Å; K407-L415 HydrophobicContact CB-CD2 4.49Å; K407-L415 HydrophobicContact CG-CD1 4.23Å; K407-L415 HydrophobicContact CG-CD2 4.02Å
408	G	94.8	Very high	97.2	Very high	40 Å²	40	37.9 Å²	37.9	41%	0.412	20%	0.2	S	C	.	.			trans	-69.1	166.7	-178.8	0	0	0	0	0	113.5	D410 E411 L412	G408-D410 PolarHBondContact O-N 2.93Å; G408-D410 VanDerWaalsContact O-N 3.17Å; G408-E411 PolarHBondContact O-N 3.04Å; G408-E411 VanDerWaalsContact O-N 3.14Å; G408-L412 WeakPolarHBondContact O-CB 3.42Å; G408-L412 PolarHBondContact O-N 3.16Å
409	A	94.1	Very high	97.2	Very high	39 Å²	39	38.4 Å²	38.4	32%	0.322	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.2	179.5	0	0	0	0	0	113.5	Y358 P413	Y358-A409 WeakPolarHBondContact CB-O 3.37Å; Y358-A409 HydrophobicContact CD1-CB 3.72Å; Y358-A409 HydrophobicContact CD2-CB 4.01Å; Y358-A409 HydrophobicContact CE1-CB 3.75Å; Y358-A409 HydrophobicContact CE2-CB 4.05Å; Y358-A409 HydrophobicContact CG-CB 3.85Å; A409-P413 WeakPolarHBondContact O-CD 3.3Å
410	D	93.3	Very high	97.2	Very high	132 Å²	132	38.5 Å²	38.5	71%	0.706	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-35.2	179.9	-63.1	-22	0	0	0	112.9	G408 Y414	G408-D410 PolarHBondContact O-N 2.93Å; G408-D410 VanDerWaalsContact O-N 3.17Å; D410-Y414 WeakPolarHBondContact O-CD2 3.33Å
411	E	96.3	Very high	97.2	Very high	94 Å²	94	39.9 Å²	39.9	44%	0.439	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-35.3	179.6	-73.3	178.7	-89.4	0	0	111.9	K407 G408 Y414 L415	K407-E411 HydrophobicContact CB-CB 4.42Å; K407-E411 IonicContact NZ-OE1 3.87Å; K407-E411 IonicContact NZ-OE2 3.92Å; K407-E411 PolarHBondContact NZ-OE2 3.25Å; G408-E411 PolarHBondContact O-N 3.04Å; G408-E411 VanDerWaalsContact O-N 3.14Å; E411-Y414 CarbonylContact O-C 3.54Å; E411-Y414 WeakPolarHBondContact O-CA 3.47Å; E411-Y414 PolarHBondContact O-N 2.82Å; E411-L415 PolarHBondContact O-N 2.84Å
412	L	97.9	Very high	97.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-49.9	-50.4	-171	175.5	169.3	0	0	0	113.5	Y358 Y368 V372 R398 A402 G408 Y414 L415	Y358-L412 HydrophobicContact CD2-CD2 4.41Å; Y358-L412 HydrophobicContact CE2-CD1 4.16Å; Y368-L412 HydrophobicContact CD1-CD2 3.37Å; Y368-L412 HydrophobicContact CE1-CD2 3.92Å; Y368-L412 HydrophobicContact CG-CD2 4.05Å; V372-L412 HydrophobicContact CG2-CD1 4.08Å; R398-L412 WeakPolarHBondContact CB-O 3.38Å; A402-L412 HydrophobicContact CB-CB 3.8Å; A402-L412 HydrophobicContact CB-CD1 3.52Å; A402-L412 HydrophobicContact CB-CG 3.51Å; G408-L412 WeakPolarHBondContact O-CB 3.42Å; G408-L412 PolarHBondContact O-N 3.16Å; L412-Y414 PolarHBondContact O-N 3.49Å; L412-L415 PolarHBondContact O-N 3.21Å
413	P	98.4	Very high	97.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-65.8	-7.6	-179.6	-24.2	36	0	0	0	115.4	K357 Y358 Y368 R398 A409	K357-P413 HydrophobicContact CB-CB 4.14Å; K357-P413 HydrophobicContact CB-CG 4.47Å; K357-P413 HydrophobicContact CD-CB 3.7Å; K357-P413 HydrophobicContact CG-CB 3.81Å; K357-P413 PolarHBondContact NZ-O 3.18Å; Y358-P413 HydrophobicContact CD2-CG 4.19Å; Y368-P413 HydrophobicContact CD2-CB 3.88Å; Y368-P413 HydrophobicContact CD2-CG 3.94Å; Y368-P413 HydrophobicContact CE2-CB 3.69Å; Y368-P413 HydrophobicContact CE2-CG 4.28Å; Y368-P413 HydrophobicContact CG-CB 4.36Å; Y368-P413 HydrophobicContact CG-CG 4.1Å; R398-P413 VanDerWaalsContact CZ-O 3.3Å; R398-P413 PolarHBondContact NE-O 3Å; R398-P413 PolarHBondContact NH1-O 3.32Å; A409-P413 WeakPolarHBondContact O-CD 3.3Å
414	Y	97.9	Very high	97.2	Very high	37 Å²	37	42.6 Å²	42.6	15%	0.145	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-121.3	5.5	-175.1	-55.5	-81.4	0	0	0	113	K357 D410 E411 L412 R416 H447 K450	K357-Y414 HydrophobicContact CB-CE2 4.26Å; K357-Y414 WeakPolarHBondContact CB-OH 3.17Å; K357-Y414 HydrophobicContact CD-CD1 4.22Å; K357-Y414 HydrophobicContact CD-CE1 3.49Å; K357-Y414 VanDerWaalsContact CD-CE1 3.49Å; K357-Y414 HydrophobicContact CD-CE2 4.06Å; K357-Y414 VanDerWaalsContact CD-CZ 3.41Å; K357-Y414 WeakPolarHBondContact CD-OH 3.42Å; D410-Y414 WeakPolarHBondContact O-CD2 3.33Å; E411-Y414 CarbonylContact O-C 3.54Å; E411-Y414 WeakPolarHBondContact O-CA 3.47Å; E411-Y414 PolarHBondContact O-N 2.82Å; L412-Y414 PolarHBondContact O-N 3.49Å; Y414-R416 PolarHBondContact O-N 3.35Å; Y414-H447 PolarHBondContact O-CE1 3.43Å; Y414-H447 VanDerWaalsContact O-CE1 3.27Å; Y414-K450 HydrophobicContact CD1-CB 3.81Å; Y414-K450 HydrophobicContact CE1-CB 3.53Å; Y414-K450 HydrophobicContact CE1-CD 4.43Å; Y414-K450 HydrophobicContact CE1-CG 3.88Å; Y414-K450 HydrophobicContact CE2-CD 4.04Å; Y414-K450 HydrophobicContact CE2-CG 4.35Å; Y414-K450 HydrophobicContact CG-CB 4.41Å
415	L	98.1	Very high	97.3	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.141	22%	0.221	C	C	.	.			trans	-58.8	137.1	170.4	-64.1	173.7	0	0	0	110.1	R398 L401 A402 K407 E411 L412	R398-L415 HydrophobicContact CG-CB 4.09Å; R398-L415 PolarHBondContact NE-O 3.17Å; R398-L415 PolarHBondContact NH2-O 3.11Å; L401-L415 HydrophobicContact CB-CD1 4.2Å; A402-L415 HydrophobicContact CB-CD1 3.86Å; K407-L415 HydrophobicContact CB-CD1 4.22Å; K407-L415 HydrophobicContact CB-CD2 4.49Å; K407-L415 HydrophobicContact CG-CD1 4.23Å; K407-L415 HydrophobicContact CG-CD2 4.02Å; E411-L415 PolarHBondContact O-N 2.84Å; L412-L415 PolarHBondContact O-N 3.21Å
416	R	98	Very high	97.2	Very high	137 Å²	137	42.2 Å²	42.2	52%	0.517	22%	0.222	S	C	.	.			trans	-81.9	119.9	178	-78.2	-172.6	172.1	-134	-1.7	109.5	Y414 F423 H447 D449	Y414-R416 PolarHBondContact O-N 3.35Å; R416-F423 WeakPolarHBondContact O-CZ 3.44Å; R416-H447 VanDerWaalsContact CG-CE1 3.42Å; R416-H447 WeakPolarHBondContact CG-CE1 3.47Å; R416-D449 IonicContact CZ-OD1 3.65Å; R416-D449 IonicContact NE-OD1 3.56Å; R416-D449 IonicContact NH2-OD1 2.82Å; R416-D449 PolarHBondContact NH2-OD1 3.15Å; R416-D449 IonicContact NH2-OD2 3.32Å; R416-D449 PolarHBondContact NH2-OD2 2.92Å
417	C	97.6	Very high	96.7	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.207	C	C	.	.			trans	-132.7	75.1	175.8	-48.6	0	0	0	0	108	R258 M397 L401	R258-C417 WeakPolarHBondContact CD-O 3.49Å; R258-C417 PolarHBondContact NH1-O 3.19Å; M397-C417 HydrophobicContact CE-CB 4.35Å; M397-C417 HydrophobicContact CG-CB 4.22Å; M397-C417 HydrophobicContact SD-CB 3.93Å; L401-C417 WeakPolarHBondContact CD1-SG 3.49Å
418	P	98.3	Very high	96	Very high	45 Å²	45	37.6 Å²	37.6	29%	0.292	21%	0.205	S	C	.	.			trans	-62	158.7	-176.1	-22.1	35.9	0	0	0	111.9	I421	P418-I421 HydrophobicContact CB-CD1 3.76Å; P418-I421 HydrophobicContact CB-CG1 4.24Å; P418-I421 HydrophobicContact CG-CD1 3.84Å
419	L	98.7	Very high	94.8	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.063	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	152.4	167.1	-75.3	169.3	0	0	0	109.7	R258 H259 E261 N265 I421 A443 V444 T446	R258-L419 HydrophobicContact CB-CD2 4.15Å; R258-L419 VanDerWaalsContact CZ-CD2 3.48Å; H259-L419 WeakPolarHBondContact O-CD2 3.38Å; E261-L419 HydrophobicContact CB-CD1 4.13Å; E261-L419 HydrophobicContact CG-CD1 4.19Å; N265-L419 HydrophobicContact CB-CD1 4.26Å; L419-I421 PolarHBondContact O-N 3.05Å; L419-I421 VanDerWaalsContact O-N 3.14Å; L419-A443 HydrophobicContact CB-CB 3.48Å; L419-A443 VanDerWaalsContact CB-CB 3.48Å; L419-A443 HydrophobicContact CD1-CB 3.98Å; L419-A443 HydrophobicContact CG-CB 4.37Å; L419-V444 HydrophobicContact CD1-CG2 4.26Å; L419-T446 HydrophobicContact CD1-CG2 4.29Å
420	H	98.4	Very high	93.8	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.014	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	14.7	172.4	-53.9	175	0	0	0	116.9	E261 F283 L439 V441 D442	E261-H420 PolarHBondContact N-NE2 2.99Å; F283-H420 VanDerWaalsContact CB-CD2 3.41Å; F283-H420 WeakPolarHBondContact CB-CD2 3.48Å; F283-H420 WeakPolarHBondContact CB-NE2 3.34Å; F283-H420 AromaticContact CD1-CD2 3.81Å; F283-H420 VanDerWaalsContact CD2-CA 3.47Å; F283-H420 HydrophobicContact CD2-CB 3.52Å; F283-H420 AromaticContact CD2-CD2 3.61Å; F283-H420 AromaticContact CD2-CG 3.6Å; F283-H420 HydrophobicContact CE2-CB 3.98Å; F283-H420 HydrophobicContact CG-CB 4.17Å; F283-H420 AromaticContact CG-CD2 3.29Å; F283-H420 WeakPolarHBondContact CG-CD2 3.48Å; F283-H420 AromaticContact CG-CG 3.72Å; F283-H420 AromaticContact CG-NE2 3.85Å; H420-L439 PolarHBondContact O-N 3.32Å; H420-L439 VanDerWaalsContact O-N 3.14Å; H420-V441 PolarHBondContact ND1-O 3.06Å; H420-D442 PolarHBondContact CE1-O 3.32Å; H420-D442 VanDerWaalsContact CE1-O 3.23Å; H420-D442 PolarHBondContact ND1-O 3.47Å
421	I	98.4	Very high	93.4	Very high	28 Å²	28	34.3 Å²	34.3	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.9	173.9	-58.6	-175	0	0	0	109.8	P418 L419 F423 I437 T438	P418-I421 HydrophobicContact CB-CD1 3.76Å; P418-I421 HydrophobicContact CB-CG1 4.24Å; P418-I421 HydrophobicContact CG-CD1 3.84Å; L419-I421 PolarHBondContact O-N 3.05Å; L419-I421 VanDerWaalsContact O-N 3.14Å; I421-F423 HydrophobicContact CB-CE2 4.42Å; I421-F423 HydrophobicContact CG2-CD2 4.18Å; I421-F423 HydrophobicContact CG2-CE2 3.92Å; I421-I437 WeakPolarHBondContact CA-O 3.4Å; I421-T438 HydrophobicContact CG1-CG2 4.31Å
422	I	98.7	Very high	93.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.8	172.8	-50.7	172	0	0	0	108.6	Y255 C257 L287 F290 T436 I437 L439	Y255-I422 HydrophobicContact CD1-CG2 3.83Å; C257-I422 HydrophobicContact CB-CG1 4.43Å; L287-I422 HydrophobicContact CD1-CD1 3.48Å; L287-I422 VanDerWaalsContact CD1-CD1 3.48Å; L287-I422 HydrophobicContact CD1-CG1 4.06Å; F290-I422 HydrophobicContact CD1-CD1 3.31Å; F290-I422 HydrophobicContact CD2-CD1 4.32Å; F290-I422 HydrophobicContact CE1-CD1 3.43Å; F290-I422 VanDerWaalsContact CE1-CD1 3.43Å; F290-I422 HydrophobicContact CE2-CD1 4.42Å; F290-I422 HydrophobicContact CG-CD1 3.78Å; F290-I422 HydrophobicContact CZ-CD1 4Å; I422-T436 WeakPolarHBondContact O-CA 3.33Å; I422-I437 HydrophobicContact CB-CB 4.29Å; I422-I437 PolarHBondContact N-O 3.29Å; I422-I437 PolarHBondContact O-N 3.36Å; I422-L439 HydrophobicContact CD1-CD1 4.12Å; I422-L439 HydrophobicContact CD1-CD2 4.01Å; I422-L439 HydrophobicContact CD1-CG 4.2Å; I422-L439 HydrophobicContact CG1-CG 4.46Å
423	F	98.7	Very high	92.9	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.088	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.9	170.2	-74.8	-114.1	0	0	0	107.9	Y255 L256 M397 L401 R416 I421 V434 T436	Y255-F423 WeakPolarHBondContact CA-O 3.31Å; L256-F423 HydrophobicContact CB-CB 4.32Å; L256-F423 PolarHBondContact N-O 3.18Å; L256-F423 PolarHBondContact O-N 3.38Å; M397-F423 HydrophobicContact CE-CB 3.97Å; M397-F423 HydrophobicContact CE-CD2 3.14Å; M397-F423 HydrophobicContact CE-CE2 3.7Å; M397-F423 HydrophobicContact CE-CG 3.65Å; L401-F423 HydrophobicContact CD1-CD1 4.03Å; L401-F423 HydrophobicContact CD1-CE1 4.1Å; L401-F423 HydrophobicContact CD1-CG 4.42Å; L401-F423 HydrophobicContact CD2-CB 4.32Å; L401-F423 HydrophobicContact CD2-CD1 3.87Å; L401-F423 HydrophobicContact CD2-CG 4.33Å; R416-F423 WeakPolarHBondContact O-CZ 3.44Å; I421-F423 HydrophobicContact CB-CE2 4.42Å; I421-F423 HydrophobicContact CG2-CD2 4.18Å; I421-F423 HydrophobicContact CG2-CE2 3.92Å; F423-V434 HydrophobicContact CD1-CG1 3.77Å; F423-V434 HydrophobicContact CE1-CG1 4.49Å; F423-T436 HydrophobicContact CD1-CG2 4.01Å; F423-T436 HydrophobicContact CE1-CG2 3.78Å; F423-T436 HydrophobicContact CE2-CG2 4.44Å; F423-T436 HydrophobicContact CG-CG2 4.44Å; F423-T436 HydrophobicContact CZ-CG2 4.02Å
424	K	98.4	Very high	92.8	Very high	41 Å²	41	40.4 Å²	40.4	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115	174.3	180	-178	177.9	-178.3	0	108.6	T253 Y255 V434 E435 I437	T253-K424 HydrophobicContact CG2-CD 4.28Å; T253-K424 HydrophobicContact CG2-CG 3.51Å; Y255-K424 HydrophobicContact CD1-CB 4.11Å; Y255-K424 HydrophobicContact CD1-CG 4.18Å; Y255-K424 HydrophobicContact CE1-CB 4.07Å; Y255-K424 HydrophobicContact CE1-CD 3.94Å; Y255-K424 HydrophobicContact CE1-CG 3.73Å; K424-V434 WeakPolarHBondContact O-CA 3.29Å; K424-E435 HydrophobicContact CB-CB 4.24Å; K424-E435 PolarHBondContact N-O 3.33Å; K424-E435 IonicContact NZ-OE2 3.67Å; K424-E435 PolarHBondContact O-N 2.92Å; K424-I437 HydrophobicContact CB-CD1 4.21Å; K424-I437 HydrophobicContact CD-CD1 4.26Å
425	L	97.6	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.7	-177.9	-58.1	-176.8	0	0	0	109.5	T253 I254 L256 L401 F404 L405 K433 V434	T253-L425 WeakPolarHBondContact CA-O 3.44Å; I254-L425 HydrophobicContact CB-CB 4.17Å; I254-L425 HydrophobicContact CG2-CD1 4.47Å; I254-L425 PolarHBondContact N-O 3.47Å; I254-L425 WeakPolarHBondContact O-CA 3.41Å; I254-L425 VanDerWaalsContact O-CB 3.29Å; I254-L425 WeakPolarHBondContact O-CB 3.46Å; I254-L425 PolarHBondContact O-N 2.99Å; L256-L425 HydrophobicContact CD1-CD1 3.61Å; L256-L425 HydrophobicContact CG-CD1 3.97Å; L401-L425 HydrophobicContact CD2-CD1 4.3Å; L401-L425 HydrophobicContact CD2-CD2 4.04Å; F404-L425 HydrophobicContact CB-CD1 3.9Å; F404-L425 HydrophobicContact CD2-CD1 3.56Å; F404-L425 HydrophobicContact CE2-CD1 4.27Å; F404-L425 HydrophobicContact CG-CD1 3.77Å; L405-L425 HydrophobicContact CD2-CD2 4.45Å; L425-K433 WeakPolarHBondContact CA-O 3.4Å; L425-V434 HydrophobicContact CD2-CB 4.28Å; L425-V434 HydrophobicContact CD2-CG1 4.04Å; L425-V434 HydrophobicContact CD2-CG2 3.68Å
426	T	93.8	Very high	92.8	Very high	49 Å²	49	46.2 Å²	46.2	30%	0.301	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	101.9	173.8	-49.1	0	0	0	0	108.5	V428 K433	T426-V428 PolarHBondContact O-N 3.03Å; T426-K433 PolarHBondContact N-O 3.32Å; T426-K433 PolarHBondContact O-N 3.38Å
427	P	86.4	Confident	92.8	Very high	34 Å²	34	41.2 Å²	41.2	22%	0.221	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	133.8	173.4	-23.8	34.7	0	0	0	110.8	R252	R252-P427 HydrophobicContact CG-CG 4.5Å; R252-P427 WeakPolarHBondContact O-CD 3.45Å
428	V	82.2	Confident	92.7	Very high	46 Å²	46	45.9 Å²	45.9	28%	0.279	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163.8	175.9	-66.9	0	0	0	0	109	T426 Y430 G431 K433	T426-V428 PolarHBondContact O-N 3.03Å; V428-Y430 PolarHBondContact O-N 3.29Å; V428-G431 PolarHBondContact N-O 3.09Å; V428-G431 PolarHBondContact O-N 3.37Å; V428-K433 HydrophobicContact CG1-CD 3.97Å; V428-K433 HydrophobicContact CG1-CG 3.99Å; V428-K433 HydrophobicContact CG2-CG 4.39Å
429	A	69.4	Low	92.5	Very high	13 Å²	13	44.5 Å²	44.5	11%	0.107	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-28.5	-168.7	0	0	0	0	0	117.7	Y55 E172 V173	Y55-A429 VanDerWaalsContact CD2-O 3.22Å; Y55-A429 WeakPolarHBondContact CD2-O 3.48Å; E172-A429 HydrophobicContact CG-CB 4.42Å; E172-A429 WeakPolarHBondContact OE1-CB 3.47Å; E172-A429 PolarHBondContact OE1-N 2.73Å; V173-A429 HydrophobicContact CG1-CB 3.12Å
430	Y	73.7	Confident	92.2	Very high	99 Å²	99	51.8 Å²	51.8	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	14.3	179.5	-56.8	-55.3	0	0	0	114.5	T54 K58 V173 V428	T54-Y430 HydrophobicContact CG2-CD1 4.19Å; T54-Y430 HydrophobicContact CG2-CE1 3.53Å; K58-Y430 HydrophobicContact CD-CD1 3.86Å; K58-Y430 HydrophobicContact CD-CG 4.39Å; V173-Y430 HydrophobicContact CB-CE2 4.09Å; V173-Y430 WeakPolarHBondContact CB-OH 3.41Å; V173-Y430 HydrophobicContact CG1-CD2 4.35Å; V173-Y430 HydrophobicContact CG1-CE1 4.45Å; V173-Y430 HydrophobicContact CG1-CE2 3.58Å; V428-Y430 PolarHBondContact O-N 3.29Å
431	G	84.3	Confident	92.2	Very high	30 Å²	30	52.7 Å²	52.7	31%	0.309	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-146.5	-177.3	0	0	0	0	0	113.1	V428	V428-G431 PolarHBondContact N-O 3.09Å; V428-G431 PolarHBondContact O-N 3.37Å
432	C	90.6	Very high	92.1	Very high	25 Å²	25	57.1 Å²	57.1	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.8	179.6	-166.8	0	0	0	0	109.3	F404 L405	F404-C432 HydrophobicContact CB-CB 4.44Å; F404-C432 VanDerWaalsContact O-CB 3.32Å; F404-C432 WeakPolarHBondContact O-CB 3.36Å; L405-C432 HydrophobicContact CD2-CB 4.26Å
433	K	93.4	Very high	92.1	Very high	140 Å²	140	58.8 Å²	58.8	61%	0.609	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	139.4	169.7	-68.1	178.5	176.1	175.7	0	108.6	L425 T426 V428	L425-K433 WeakPolarHBondContact CA-O 3.4Å; T426-K433 PolarHBondContact N-O 3.32Å; T426-K433 PolarHBondContact O-N 3.38Å; V428-K433 HydrophobicContact CG1-CD 3.97Å; V428-K433 HydrophobicContact CG1-CG 3.99Å; V428-K433 HydrophobicContact CG2-CG 4.39Å
434	V	96.8	Very high	92.1	Very high	60 Å²	60	59.9 Å²	59.9	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.9	177.4	-171.7	0	0	0	0	108.9	L405 F423 K424 L425	L405-V434 HydrophobicContact CD1-CG2 3.97Å; L405-V434 HydrophobicContact CD2-CG2 3.13Å; L405-V434 HydrophobicContact CG-CG2 4.15Å; F423-V434 HydrophobicContact CD1-CG1 3.77Å; F423-V434 HydrophobicContact CE1-CG1 4.49Å; K424-V434 WeakPolarHBondContact O-CA 3.29Å; L425-V434 HydrophobicContact CD2-CB 4.28Å; L425-V434 HydrophobicContact CD2-CG1 4.04Å; L425-V434 HydrophobicContact CD2-CG2 3.68Å
435	E	97.9	Very high	92	Very high	102 Å²	102	63 Å²	63	48%	0.477	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	167.6	-179	-175.4	176.3	0	0	108.2	K424 I437	K424-E435 HydrophobicContact CB-CB 4.24Å; K424-E435 PolarHBondContact N-O 3.33Å; K424-E435 IonicContact NZ-OE2 3.67Å; K424-E435 PolarHBondContact O-N 2.92Å; E435-I437 HydrophobicContact CG-CG1 4.16Å
436	T	97.7	Very high	92	Very high	85 Å²	85	64.4 Å²	64.4	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.2	177.5	52.7	0	0	0	0	109.5	I422 F423	I422-T436 WeakPolarHBondContact O-CA 3.33Å; F423-T436 HydrophobicContact CD1-CG2 4.01Å; F423-T436 HydrophobicContact CE1-CG2 3.78Å; F423-T436 HydrophobicContact CE2-CG2 4.44Å; F423-T436 HydrophobicContact CG-CG2 4.44Å; F423-T436 HydrophobicContact CZ-CG2 4.02Å
437	I	98.1	Very high	92.2	Very high	31 Å²	31	63.4 Å²	63.4	16%	0.159	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.6	-176.5	-55.6	165.4	0	0	0	107.5	F290 I421 I422 K424 E435 L439	F290-I437 HydrophobicContact CD2-CG2 4.27Å; F290-I437 HydrophobicContact CE2-CD1 3.73Å; F290-I437 HydrophobicContact CE2-CG2 3.89Å; F290-I437 HydrophobicContact CZ-CD1 3.61Å; I421-I437 WeakPolarHBondContact CA-O 3.4Å; I422-I437 HydrophobicContact CB-CB 4.29Å; I422-I437 PolarHBondContact N-O 3.29Å; I422-I437 PolarHBondContact O-N 3.36Å; K424-I437 HydrophobicContact CB-CD1 4.21Å; K424-I437 HydrophobicContact CD-CD1 4.26Å; E435-I437 HydrophobicContact CG-CG1 4.16Å; I437-L439 HydrophobicContact CG2-CD2 4.36Å
438	T	95.9	Very high	92.6	Very high	99 Å²	99	65 Å²	65	61%	0.607	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.8	178.2	-56	0	0	0	0	109.3	I421	I421-T438 HydrophobicContact CG1-CG2 4.31Å
439	L	93.1	Very high	93.1	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.084	37%	0.365	C	S	.	.			trans	-85.1	135.1	169.1	-53.9	-168.3	0	0	0	108.2	F283 A286 L287 F290 H420 I422 I437 V441	F283-L439 HydrophobicContact CD2-CB 4.17Å; F283-L439 HydrophobicContact CD2-CD1 3.78Å; F283-L439 HydrophobicContact CD2-CG 4.36Å; F283-L439 HydrophobicContact CE2-CB 4.3Å; F283-L439 HydrophobicContact CE2-CD1 3.46Å; F283-L439 VanDerWaalsContact CE2-CD1 3.46Å; F283-L439 HydrophobicContact CE2-CG 4.03Å; F283-L439 HydrophobicContact CZ-CD1 4.41Å; A286-L439 HydrophobicContact CB-CB 4.16Å; A286-L439 HydrophobicContact CB-CD1 3.96Å; L287-L439 HydrophobicContact CB-CD1 3.91Å; L287-L439 HydrophobicContact CD1-CD1 4.31Å; F290-L439 HydrophobicContact CB-CD2 4.12Å; F290-L439 HydrophobicContact CD2-CD2 4.4Å; F290-L439 HydrophobicContact CG-CD2 4.32Å; H420-L439 PolarHBondContact O-N 3.32Å; H420-L439 VanDerWaalsContact O-N 3.14Å; I422-L439 HydrophobicContact CD1-CD1 4.12Å; I422-L439 HydrophobicContact CD1-CD2 4.01Å; I422-L439 HydrophobicContact CD1-CG 4.2Å; I422-L439 HydrophobicContact CG1-CG 4.46Å; I437-L439 HydrophobicContact CG2-CD2 4.36Å; L439-V441 PolarHBondContact O-N 3.19Å
440	N	93.6	Very high	94	Very high	165 Å²	165	72.3 Å²	72.3	88%	0.882	38%	0.384	S	S	*	.	S	Bend	trans	-72.1	61.9	-171.5	-168.2	36.2	0	0	0	113
441	V	97.5	Very high	94.6	Very high	23 Å²	23	70.5 Å²	70.5	14%	0.139	38%	0.384	C	S	.	.			trans	-139.9	117.7	178.6	-176.5	0	0	0	0	107.7	R279 Q282 F283 A286 H420 L439	R279-V441 HydrophobicContact CB-CG1 4.21Å; R279-V441 WeakPolarHBondContact O-CG1 3.24Å; Q282-V441 HydrophobicContact CB-CG1 3.89Å; Q282-V441 HydrophobicContact CB-CG2 4.24Å; F283-V441 HydrophobicContact CB-CB 4.48Å; F283-V441 HydrophobicContact CB-CG1 4.36Å; A286-V441 HydrophobicContact CB-CG2 4.17Å; H420-V441 PolarHBondContact ND1-O 3.06Å; L439-V441 PolarHBondContact O-N 3.19Å
442	D	97.4	Very high	94.2	Very high	120 Å²	120	75.2 Å²	75.2	64%	0.642	41%	0.407	S	S	*	.			trans	-62.4	153.1	-179.4	-64.7	-33.3	0	0	0	112.6	R279 H420	R279-D442 WeakPolarHBondContact CD-O 3.33Å; R279-D442 PolarHBondContact NE-O 3.45Å; H420-D442 PolarHBondContact CE1-O 3.32Å; H420-D442 VanDerWaalsContact CE1-O 3.23Å; H420-D442 PolarHBondContact ND1-O 3.47Å
443	A	98	Very high	92.5	Very high	36 Å²	36	82.1 Å²	82.1	30%	0.298	44%	0.437	S	S	.	.			trans	-147.9	157.8	172.4	0	0	0	0	0	111	E261 L419	E261-A443 WeakPolarHBondContact OE1-CA 3.42Å; L419-A443 HydrophobicContact CB-CB 3.48Å; L419-A443 VanDerWaalsContact CB-CB 3.48Å; L419-A443 HydrophobicContact CD1-CB 3.98Å; L419-A443 HydrophobicContact CG-CB 4.37Å
444	V	97.9	Very high	90.2	Very high	43 Å²	43	82.9 Å²	82.9	26%	0.261	45%	0.448	S	S	.	.			trans	-65.6	150.2	167	-62.5	0	0	0	0	111.4	E261 N265 L266 L419 T446	E261-V444 PolarHBondContact OE1-N 2.89Å; N265-V444 HydrophobicContact CB-CG2 3.81Å; L266-V444 HydrophobicContact CD2-CG1 3.94Å; L419-V444 HydrophobicContact CD1-CG2 4.26Å; V444-T446 HydrophobicContact CG2-CG2 4.15Å
445	D	97.9	Very high	88	Confident	108 Å²	108	86.3 Å²	86.3	58%	0.578	46%	0.458	S	S	*	.			trans	-82.3	129	168.6	-167.8	6.7	0	0	0	110.2	H447	D445-H447 WeakPolarHBondContact OD1-CB 2.96Å; D445-H447 PolarHBondContact OD1-N 3.43Å
446	T	97.3	Very high	85.6	Confident	29 Å²	29	85.7 Å²	85.7	18%	0.178	46%	0.462	C	S	.	.			trans	-112.8	6.5	176.2	63.1	0	0	0	0	112	R258 N265 Q394 L419 V444	R258-T446 PolarHBondContact NH1-OG1 3.06Å; R258-T446 PolarHBondContact NH2-OG1 3.46Å; N265-T446 HydrophobicContact CB-CG2 4.23Å; Q394-T446 PolarHBondContact NE2-O 3.27Å; Q394-T446 VanDerWaalsContact NE2-O 3.11Å; Q394-T446 PolarHBondContact OE1-O 3.44Å; Q394-T446 PolarHBondContact OE1-OG1 3.47Å; L419-T446 HydrophobicContact CD1-CG2 4.29Å; V444-T446 HydrophobicContact CG2-CG2 4.15Å
447	H	97.4	Very high	83.2	Confident	27 Å²	27	91.9 Å²	91.9	13%	0.125	48%	0.482	C	S	.	.			trans	-76.4	133	175.5	-164.2	82.2	0	0	0	110.3	R398 Y414 R416 D445 D449	R398-H447 PolarHBondContact NH2-CE1 3.07Å; R398-H447 PolarHBondContact NH2-ND1 3.12Å; R398-H447 VanDerWaalsContact NH2-ND1 3.13Å; Y414-H447 PolarHBondContact O-CE1 3.43Å; Y414-H447 VanDerWaalsContact O-CE1 3.27Å; R416-H447 VanDerWaalsContact CG-CE1 3.42Å; R416-H447 WeakPolarHBondContact CG-CE1 3.47Å; D445-H447 WeakPolarHBondContact OD1-CB 2.96Å; D445-H447 PolarHBondContact OD1-N 3.43Å; H447-D449 IonicContact CD2-OD1 3.55Å; H447-D449 PolarHBondContact CD2-OD1 2.89Å; H447-D449 IonicContact NE2-OD1 3.92Å; H447-D449 PolarHBondContact NE2-OD1 3.17Å
448	R	94.9	Very high	80.3	Confident	68 Å²	68	95.2 Å²	95.2	26%	0.257	51%	0.508	S	S	.	.			trans	-121.5	114.1	168.4	-175.9	173.8	174.6	-84.7	9.7	107.4	F350 D354	F350-R448 VanDerWaalsContact CZ-NH2 3.29Å; D354-R448 VanDerWaalsContact CG-NH1 3.32Å; D354-R448 IonicContact OD1-CZ 2.84Å; D354-R448 IonicContact OD1-NH1 3.4Å; D354-R448 PolarHBondContact OD1-NH1 3.12Å; D354-R448 IonicContact OD1-NH2 2.75Å; D354-R448 IonicContact OD2-CZ 3.03Å; D354-R448 IonicContact OD2-NH1 3.01Å; D354-R448 PolarHBondContact OD2-NH1 3.47Å; D354-R448 IonicContact OD2-NH2 3.47Å; D354-R448 PolarHBondContact OD2-NH2 2.78Å
449	D	93.4	Very high	77.6	Confident	95 Å²	95	97.8 Å²	97.8	51%	0.508	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-61.6	161.6	179.6	-67	-51.7	0	0	0	110.9	R416 H447 P451	R416-D449 IonicContact CZ-OD1 3.65Å; R416-D449 IonicContact NE-OD1 3.56Å; R416-D449 IonicContact NH2-OD1 2.82Å; R416-D449 PolarHBondContact NH2-OD1 3.15Å; R416-D449 IonicContact NH2-OD2 3.32Å; R416-D449 PolarHBondContact NH2-OD2 2.92Å; H447-D449 IonicContact CD2-OD1 3.55Å; H447-D449 PolarHBondContact CD2-OD1 2.89Å; H447-D449 IonicContact NE2-OD1 3.92Å; H447-D449 PolarHBondContact NE2-OD1 3.17Å; D449-P451 WeakPolarHBondContact O-CD 3.43Å
450	K	87.9	Confident	74.9	Confident	118 Å²	118	103 Å²	103	51%	0.513	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-65.4	126.4	171.8	-171	170.5	-176	174.1	0	108.4	Y414 T452	Y414-K450 HydrophobicContact CD1-CB 3.81Å; Y414-K450 HydrophobicContact CE1-CB 3.53Å; Y414-K450 HydrophobicContact CE1-CD 4.43Å; Y414-K450 HydrophobicContact CE1-CG 3.88Å; Y414-K450 HydrophobicContact CE2-CD 4.04Å; Y414-K450 HydrophobicContact CE2-CG 4.35Å; Y414-K450 HydrophobicContact CG-CB 4.41Å; K450-T452 PolarHBondContact O-N 3.07Å
451	P	85.5	Confident	72.4	Confident	60 Å²	60	98.9 Å²	98.9	39%	0.39	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-57.4	128.5	177.9	-22.4	31.3	0	0	0	111.2	D354 D449 H453	D354-P451 HydrophobicContact CB-CG 4.01Å; D354-P451 VanDerWaalsContact OD2-CG 3.3Å; D354-P451 WeakPolarHBondContact OD2-CG 3.48Å; D449-P451 WeakPolarHBondContact O-CD 3.43Å; P451-H453 PolarHBondContact O-N 3.17Å
452	T	75.6	Confident	69.5	Low	130 Å²	130	103.6 Å²	103.6	80%	0.798	56%	0.557	S	S	*	*			trans	-90.3	95.8	176.7	52.8	0	0	0	0	109.6	K450	K450-T452 PolarHBondContact O-N 3.07Å
453	H	55.3	Low	66.8	Low	170 Å²	170	106.7 Å²	106.7	79%	0.787	56%	0.559	S	S	*	*			trans	70.2	125.9	170.6	-72	-82.9	0	0	0	120	P451	P451-H453 PolarHBondContact O-N 3.17Å
454	N	46.2	Very low	63.9	Low	156 Å²	156	113 Å²	113	83%	0.834	59%	0.585	S	S	*	*			trans	177.1	46.4	131.7	-89.2	-10.9	0	0	0	113.6
455	F	49.7	Very low	61	Low	132 Å²	132	119.7 Å²	119.7	58%	0.579	61%	0.605	S	S	*	*			trans	-107.7	124.3	161.9	-81.5	-80.3	0	0	0	109.5	Q355 K457	Q355-F455 HydrophobicContact CG-CD2 4.21Å; Q355-F455 HydrophobicContact CG-CE2 3.94Å; F455-K457 PolarHBondContact O-N 3.31Å
456	P	46.5	Very low	58.3	Low	88 Å²	88	122.7 Å²	122.7	57%	0.571	61%	0.609	S	S	*	*			trans	-59.9	130.1	167.6	23.8	-29.4	0	0	0	108	S458	P456-S458 PolarHBondContact O-N 3.26Å
457	K	47.3	Very low	55.3	Low	215 Å²	215	127 Å²	127	94%	0.935	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	8.1	-178.1	-67	178	177.2	177.4	0	114.5	F455	F455-K457 PolarHBondContact O-N 3.31Å
458	S	38.8	Very low	52.4	Low	101 Å²	101	129.3 Å²	129.3	71%	0.706	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-8.4	-174.1	65	0	0	0	0	115.2	P456	P456-S458 PolarHBondContact O-N 3.26Å
459	Q	39.3	Very low	49.4	Very low	153 Å²	153	134.5 Å²	134.5	72%	0.715	68%	0.675	S	S	*	*			trans	-103.3	108.2	172.7	-67.1	-173.7	8.2	0	0	109.1
460	T	35.9	Very low	46.5	Very low	127 Å²	127	134.3 Å²	134.3	78%	0.779	68%	0.677	S	S	*	*			trans	-54.9	128	160.6	23.9	0	0	0	0	107.1	V462	T460-V462 PolarHBondContact O-N 2.87Å; T460-V462 VanDerWaalsContact O-N 3.09Å
461	P	39.9	Very low	43.7	Very low	77 Å²	77	135 Å²	135	50%	0.5	69%	0.693	S	S	.	*			trans	-57.5	124.8	179.1	20.8	-29.7	0	0	0	107.7	R463	P461-R463 VanDerWaalsContact C-N 3.26Å; P461-R463 PolarHBondContact O-N 3.41Å
462	V	37.3	Very low	41	Very low	122 Å²	122	139.6 Å²	139.6	74%	0.739	71%	0.714	S	S	*	*			trans	-62.4	96.8	171.9	179.4	0	0	0	0	105.8	T460 M464	T460-V462 PolarHBondContact O-N 2.87Å; T460-V462 VanDerWaalsContact O-N 3.09Å; V462-M464 HydrophobicContact CG1-CG 4.07Å; V462-M464 PolarHBondContact O-N 2.81Å
463	R	40.3	Very low	38.7	Very low	185 Å²	185	139 Å²	139	70%	0.698	72%	0.715	S	S	*	*			trans	-67.4	80.5	175.1	-79.5	-177.2	169.7	172.2	-1	108.5	P461 R465	P461-R463 VanDerWaalsContact C-N 3.26Å; P461-R463 PolarHBondContact O-N 3.41Å; R463-R465 PolarHBondContact O-N 2.95Å; R463-R465 VanDerWaalsContact O-N 3.12Å
464	M	37	Very low	37.6	Very low	169 Å²	169	135.6 Å²	135.6	83%	0.833	71%	0.71	S	S	*	*			trans	-69.9	108.1	168.8	-83.6	-158.1	155.2	0	0	108.9	V462 R466	V462-M464 HydrophobicContact CG1-CG 4.07Å; V462-M464 PolarHBondContact O-N 2.81Å; M464-R466 PolarHBondContact O-N 3.23Å
465	R	38.2	Very low	36.9	Very low	183 Å²	183	133.8 Å²	133.8	69%	0.691	71%	0.71	S	S	*	*			trans	-57.2	119.3	165.9	-98.8	-177.6	168.7	-169	-2.8	109.3	R463	R463-R465 PolarHBondContact O-N 2.95Å; R463-R465 VanDerWaalsContact O-N 3.12Å
466	R	39.8	Very low	36.1	Very low	172 Å²	172	134.4 Å²	134.4	65%	0.649	72%	0.719	S	S	*	*			trans	-112.5	77.2	145.3	-74	-173.2	-176.1	153.9	5.1	108.5	E349 M464 S468	E349-R466 IonicContact OE1-NH1 2.6Å; M464-R466 PolarHBondContact O-N 3.23Å; R466-S468 PolarHBondContact O-N 3.24Å
467	N	35.6	Very low	35.3	Very low	120 Å²	120	136.1 Å²	136.1	64%	0.642	73%	0.728	S	S	*	*			trans	-71.2	116.8	156.6	-74.5	9.5	0	0	0	106.9
468	S	35	Very low	34.5	Very low	75 Å²	75	133.4 Å²	133.4	52%	0.524	72%	0.722	S	S	.	*			trans	-144.5	83.5	154.9	61.5	0	0	0	0	109.2	R466 T470	R466-S468 PolarHBondContact O-N 3.24Å; S468-T470 WeakPolarHBondContact CB-O 3.37Å; S468-T470 PolarHBondContact O-N 2.83Å; S468-T470 VanDerWaalsContact O-N 3.08Å
469	F	33.7	Very low	34	Very low	177 Å²	177	139.6 Å²	139.6	78%	0.776	73%	0.73	S	S	*	*	S	Bend	trans	-70.8	25.3	155	-96.2	-85.1	0	0	0	111.6	W32	W32-F469 AromaticContact CE3-CE1 3.92Å; W32-F469 HydrophobicContact CE3-CE1 3.92Å; W32-F469 HydrophobicContact CE3-CE2 4.45Å; W32-F469 AromaticContact CE3-CZ 3.51Å; W32-F469 HydrophobicContact CE3-CZ 3.51Å; W32-F469 HydrophobicContact CH2-CE1 4.35Å; W32-F469 AromaticContact CZ3-CE1 3.63Å; W32-F469 HydrophobicContact CZ3-CE1 3.63Å; W32-F469 HydrophobicContact CZ3-CE2 4.45Å; W32-F469 AromaticContact CZ3-CZ 3.58Å; W32-F469 HydrophobicContact CZ3-CZ 3.58Å
470	T	30.7	Very low	33.7	Very low	90 Å²	90	143.1 Å²	143.1	55%	0.552	74%	0.737	S	S	*	*	S	Bend	trans	-145	121.6	-179.6	28.5	0	0	0	0	108.4	S468 L472	S468-T470 WeakPolarHBondContact CB-O 3.37Å; S468-T470 PolarHBondContact O-N 2.83Å; S468-T470 VanDerWaalsContact O-N 3.08Å; T470-L472 PolarHBondContact O-N 3.16Å
471	P	30.5	Very low	33.4	Very low	133 Å²	133	142.3 Å²	142.3	86%	0.864	73%	0.734	S	S	*	*			trans	-71.9	99.7	174.1	29.7	-29.5	0	0	0	107.6	S473	P471-S473 PolarHBondContact O-N 3.14Å
472	L	27.8	Very low	33.1	Very low	157 Å²	157	148.4 Å²	148.4	82%	0.822	75%	0.747	S	S	*	*			trans	-75.5	104.5	163.8	-73.4	169.9	0	0	0	106.6	T470 S474	T470-L472 PolarHBondContact O-N 3.16Å; L472-S474 PolarHBondContact O-N 3.27Å
473	S	28.3	Very low	32.7	Very low	116 Å²	116	150 Å²	150	81%	0.811	75%	0.752	S	S	*	*			trans	-56.9	106.8	167.7	54	0	0	0	0	108.6	P471	P471-S473 PolarHBondContact O-N 3.14Å
474	S	31.6	Very low	32.4	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	75%	0.753	S	S	*	*			trans	-68.9	135	167.5	54.2	0	0	0	0	108.9	L472 N476	L472-S474 PolarHBondContact O-N 3.27Å; S474-N476 PolarHBondContact O-N 3.25Å
475	S	31.3	Very low	32.1	Very low	117 Å²	117	147.5 Å²	147.5	82%	0.818	75%	0.751	S	S	*	*	S	Bend	trans	-70.5	16.1	-172.3	49.9	0	0	0	0	115.3
476	N	32.5	Very low	31.8	Very low	146 Å²	146	146.3 Å²	146.3	78%	0.781	76%	0.764	S	S	*	*			trans	-119.3	68.9	-179	-77.3	-19.2	0	0	0	110.8	S474 I478	S474-N476 PolarHBondContact O-N 3.25Å; N476-I478 PolarHBondContact O-N 3.21Å
477	T	29.7	Very low	31.8	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	77%	0.77	S	S	*	*			trans	-86.4	92.3	165.3	9.5	0	0	0	0	109.1	R479	T477-R479 VanDerWaalsContact C-N 3.32Å; T477-R479 PolarHBondContact O-N 2.89Å
478	I	31.2	Very low	31.6	Very low	159 Å²	159	141.4 Å²	141.4	82%	0.815	78%	0.777	S	S	*	*			trans	-64.5	104.4	149.5	-65	172.5	0	0	0	104.9	N476 R480	N476-I478 PolarHBondContact O-N 3.21Å; I478-R480 PolarHBondContact O-N 2.68Å
479	R	27.8	Very low	31.4	Very low	230 Å²	230	149.6 Å²	149.6	87%	0.868	80%	0.797	S	S	*	*			trans	-59.7	101.7	176	-75.3	-176.4	176.6	-168.7	0	108.6	T477	T477-R479 VanDerWaalsContact C-N 3.32Å; T477-R479 PolarHBondContact O-N 2.89Å
480	R	34.5	Very low	31.4	Very low	227 Å²	227	147.1 Å²	147.1	86%	0.857	80%	0.798	S	S	*	*			trans	-68	132.8	163.8	-68.1	-175.6	179.7	-174.5	-0.3	108.1	I478 R482	I478-R480 PolarHBondContact O-N 2.68Å; R480-R482 PolarHBondContact O-N 2.86Å
481	P	28.8	Very low	31.6	Very low	110 Å²	110	151.2 Å²	151.2	71%	0.714	82%	0.816	S	S	*	*			trans	-65.6	133.5	178.5	24.3	-29.9	0	0	0	110.4	N483	P481-N483 PolarHBondContact O-N 3.3Å
482	R	32.8	Very low	31.7	Very low	205 Å²	205	154.4 Å²	154.4	77%	0.774	82%	0.816	S	S	*	*			trans	-69.3	113.6	168.3	-82	179.2	174.5	161.7	-1.6	108.1	R480 Y484	R480-R482 PolarHBondContact O-N 2.86Å; R482-Y484 HydrophobicContact CB-CE2 4.22Å; R482-Y484 PolarHBondContact O-N 3.14Å
483	N	30.7	Very low	31.9	Very low	157 Å²	157	153 Å²	153	84%	0.84	82%	0.816	S	S	*	*			trans	-74.3	110.9	165.6	-69.4	-15.5	0	0	0	108	P481	P481-N483 PolarHBondContact O-N 3.3Å
484	Y	33.2	Very low	32.3	Very low	187 Å²	187	155.7 Å²	155.7	73%	0.733	82%	0.821	S	S	*	*			trans	-79.3	129.6	170	-70.1	-84.5	0	0	0	108.9	R482 V486	R482-Y484 HydrophobicContact CB-CE2 4.22Å; R482-Y484 PolarHBondContact O-N 3.14Å; Y484-V486 PolarHBondContact O-N 2.72Å
485	S	30.4	Very low	32.3	Very low	113 Å²	113	156 Å²	156	79%	0.79	82%	0.823	S	S	*	*			trans	-57.4	133.4	163.1	-81.7	0	0	0	0	109.6	G487	S485-G487 PolarHBondContact O-N 3.49Å; S485-G487 VanDerWaalsContact O-N 3.13Å
486	V	32.5	Very low	32.5	Very low	159 Å²	159	156.6 Å²	156.6	96%	0.964	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	111.9	175.4	-173.6	0	0	0	0	108.3	Y484	Y484-V486 PolarHBondContact O-N 2.72Å
487	G	38.9	Very low	32.3	Very low	75 Å²	75	158 Å²	158	77%	0.773	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	154	-15.3	171.9	0	0	0	0	0	118.8	S485	S485-G487 PolarHBondContact O-N 3.49Å; S485-G487 VanDerWaalsContact O-N 3.13Å
488	S	32.3	Very low	32.2	Very low	113 Å²	113	163.9 Å²	163.9	79%	0.79	84%	0.839	S	S	*	*			trans	-118.5	113	-172.9	-53.1	0	0	0	0	112.4
489	R	30.7	Very low	32.1	Very low	248 Å²	248	161 Å²	161	94%	0.936	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.8	133.4	171.9	-75.8	-177.1	177.2	-178.5	-0.2	110.2
490	P	33	Very low	32.1	Very low	125 Å²	125	158.4 Å²	158.4	81%	0.812	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.1	134.4	177.8	-7.8	23.2	0	0	0	112.1
491	L	35.5	Very low	31.9	Very low	176 Å²	176	155.3 Å²	155.3	92%	0.921	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-72.9	140.6	166.5	-75.1	161	0	0	0	110.3
492	K	32.5	Very low	31.8	Very low	200 Å²	200	158.9 Å²	158.9	87%	0.87	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-72.3	139.7	-179.2	-73.4	-178.1	178	179.3	0	111.4
493	P	32.7	Very low	31.6	Very low	126 Å²	126	158.5 Å²	158.5	82%	0.818	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-75.9	138.4	179.8	28.2	-31	0	0	0	112.4
494	L	35.9	Very low	31.4	Very low	174 Å²	174	160.6 Å²	160.6	91%	0.911	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-72.9	143.5	170.1	-76.2	157.4	0	0	0	110.6
495	S	31	Very low	31	Very low	106 Å²	106	155.2 Å²	155.2	74%	0.741	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-68.3	150	-178	47.8	0	0	0	0	113.6
496	P	35	Very low	30.8	Very low	129 Å²	129	154.3 Å²	154.3	84%	0.838	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-82	136.2	-174.2	25.2	-20.1	0	0	0	113.5
497	L	28.9	Very low	30.6	Very low	177 Å²	177	153.7 Å²	153.7	93%	0.927	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.5	168.4	-77.2	155.6	0	0	0	110.4
498	R	28.6	Very low	30.1	Very low	246 Å²	246	158.9 Å²	158.9	93%	0.928	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.3	176	-82.6	-179	172.6	176.1	-3	111
499	A	28.4	Very low	30.9	Very low	99 Å²	99	158.4 Å²	158.4	82%	0.818	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-71.1	138.9	164.8	0	0	0	0	0	110.1
500	L	27.9	Very low	30.7	Very low	174 Å²	174	156 Å²	156	91%	0.911	85%	0.85	S	S	*	*			trans	-108.7	124.9	168.9	-86.8	162.7	0	0	0	108.5
501	D	29.5	Very low	30.4	Very low	163 Å²	163	155.4 Å²	155.4	87%	0.872	84%	0.844	S	S	*	*			trans	-66.3	143.7	174.7	-75.1	-46.3	0	0	0	111.9
502	M	27.6	Very low	30	Very low	184 Å²	184	155.4 Å²	155.4	91%	0.906	84%	0.839	S	S	*	*			trans	-81.8	128.7	165.7	-72.2	-167.5	69.3	0	0	110
503	Q	27.9	Very low	29.7	Very low	197 Å²	197	150.8 Å²	150.8	92%	0.921	83%	0.827	S	S	*	*			trans	-134.9	140.8	154.9	-92	-169.6	-28.6	0	0	111
504	E	27	Very low	29.4	Very low	201 Å²	201	152.5 Å²	152.5	94%	0.939	82%	0.824	S	S	*	*			trans	-68.7	158.7	-178.6	-62.2	168.9	134.6	0	0	113.3
505	G	25.1	Very low	29	Very low	75 Å²	75	153.5 Å²	153.5	77%	0.773	82%	0.824	S	S	*	*			trans	123.8	104.3	140	0	0	0	0	0	118.5
506	A	25.5	Very low	28.8	Very low	94 Å²	94	151.5 Å²	151.5	78%	0.777	82%	0.821	S	S	*	*			trans	75.1	137.3	134.9	0	0	0	0	0	123
507	D	28.1	Very low	28.4	Very low	146 Å²	146	151.1 Å²	151.1	78%	0.781	82%	0.821	S	S	*	*			trans	80.2	98.3	148.7	-67.1	-15.9	0	0	0	123
508	Q	28.6	Very low	28.4	Very low	184 Å²	184	147.2 Å²	147.2	86%	0.86	82%	0.815	S	S	*	*				57.9	154.2	120.1	-78.7	-157.9	14.6	0	0	122.6
509	P	50	Low	28.3	Very low	102 Å²	102	145.3 Å²	145.3	66%	0.662	82%	0.816	S	S	*	*			trans	-109.4	161.6	-143	40.1	-31.8	0	0	0	114.4
510	K	27	Very low	28.3	Very low	199 Å²	199	144.8 Å²	144.8	87%	0.865	81%	0.812	S	S	*	*			trans	-176.4	116.5	147.8	-97.3	151.4	-170.8	-173.4	0	109.6
511	T	25.4	Very low	28.3	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	81%	0.805	S	S	*	*				83.1	118.4	79.2	-47.2	0	0	0	0	114.1
512	Q	26.9	Very low	28.2	Very low	177 Å²	177	143.2 Å²	143.2	83%	0.827	80%	0.803	S	S	*	*			trans	72.6	147.7	154	-74.8	178.3	0.3	0	0	117.8
513	V	26.4	Very low	28.4	Very low	102 Å²	102	143.2 Å²	143.2	62%	0.618	80%	0.801	S	S	*	*			cis	-166.1	151.3	11.9	121.6	0	0	0	0	110.8
514	Q	26.8	Very low	29.2	Very low	162 Å²	162	139.4 Å²	139.4	76%	0.757	79%	0.793	S	S	*	*			trans	21	138.5	152.5	-56.7	168.2	-30.5	0	0	122
515	Q	28	Very low	29.4	Very low	195 Å²	195	138.7 Å²	138.7	91%	0.911	79%	0.79	S	S	*	*				179.2	143.4	93.5	-87	174.4	2.4	0	0	105.9
516	G	25.8	Very low	29.6	Very low	64 Å²	64	145.5 Å²	145.5	66%	0.66	80%	0.798	S	S	*	*			cis	143.2	145.9	18.2	0	0	0	0	0	107.2
517	S	27.4	Very low	29.7	Very low	122 Å²	122	145 Å²	145	85%	0.853	79%	0.794	S	S	*	*			trans	80.1	107	-177.6	75.7	0	0	0	0	115.2
518	A	28.5	Very low	29.8	Very low	95 Å²	95	145.2 Å²	145.2	79%	0.785	79%	0.794	S	S	*	*			cis	67.2	100.7	39.1	0	0	0	0	0	114.2
519	Q	27.4	Very low	29.8	Very low	205 Å²	205	143.8 Å²	143.8	96%	0.958	79%	0.788	S	S	*	*				-168	135.2	114.7	-102.2	173.8	-4.8	0	0	111.2
520	A	28.7	Very low	28.8	Very low	88 Å²	88	148 Å²	148	73%	0.727	80%	0.796	S	S	*	*			trans	-99.5	155.5	177.7	0	0	0	0	0	110.2
521	T	27.4	Very low	29	Very low	126 Å²	126	142.3 Å²	142.3	77%	0.773	79%	0.786	S	S	*	*			trans	159.2	140.5	151.9	44.8	0	0	0	0	106
522	E	27.9	Very low	29.2	Very low	179 Å²	179	145 Å²	145	84%	0.836	80%	0.797	S	S	*	*			cis	-171.4	146	3.6	-108	172.6	166.8	0	0	104.5
523	H	31.5	Very low	29.1	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	80%	0.799	S	S	*	*			trans	-77.1	155.1	159.9	-103.5	-56.8	0	0	0	108.8
524	P	44.6	Very low	29.4	Very low	117 Å²	117	144.1 Å²	144.1	76%	0.76	81%	0.808	S	S	*	*				-147.7	165.3	100.3	32.5	-12.8	0	0	0	116.5
525	Q	30.4	Very low	29.6	Very low	185 Å²	185	146 Å²	146	86%	0.864	81%	0.809	S	S	*	*			trans	-56.2	155.7	174.1	-65.3	156.4	-48.7	0	0	114.5
526	K	28.7	Very low	29.7	Very low	218 Å²	218	143.7 Å²	143.7	95%	0.948	80%	0.798	S	S	*	*			trans	-137.7	129.7	138.5	-94.3	-173.1	178.8	179.3	0	110.6
527	A	29.4	Very low	29.9	Very low	84 Å²	84	147.5 Å²	147.5	69%	0.694	81%	0.807	S	S	*	*			trans	-110.3	-177.9	170.1	0	0	0	0	0	109.6
528	L	29	Very low	30.2	Very low	150 Å²	150	149.5 Å²	149.5	79%	0.785	80%	0.804	S	S	*	*			trans	88	143.6	175.1	-75.3	102.3	0	0	0	116.7
529	E	29.2	Very low	30.2	Very low	154 Å²	154	152 Å²	152	72%	0.72	80%	0.803	S	S	*	*			cis	171.6	175.1	-23.4	-121.6	178.8	179.4	0	0	106.2
530	F	27.7	Very low	30.3	Very low	190 Å²	190	150.4 Å²	150.4	83%	0.833	80%	0.801	S	S	*	*			trans	90.9	106.4	176.8	-67.6	-85.5	0	0	0	115.6
531	A	31.7	Very low	30.4	Very low	80 Å²	80	154.7 Å²	154.7	66%	0.661	81%	0.81	S	S	*	*			cis	89.7	124.4	36.1	0	0	0	0	0	115.8
532	N	29.6	Very low	30.5	Very low	169 Å²	169	153.1 Å²	153.1	90%	0.904	81%	0.811	S	S	*	*			trans	83.3	125	147.6	-66.7	-17.4	0	0	0	122.4
533	G	25.9	Very low	30.6	Very low	86 Å²	86	153 Å²	153	89%	0.887	81%	0.81	S	S	*	*			trans	-174.1	91.3	157.5	0	0	0	0	0	111
534	H	31.8	Very low	30.5	Very low	173 Å²	173	152.6 Å²	152.6	80%	0.801	81%	0.808	S	S	*	*			trans	-106.4	150.6	177.5	-121.4	-73.1	0	0	0	109.8
535	R	32.1	Very low	29.8	Very low	203 Å²	203	157.3 Å²	157.3	77%	0.766	81%	0.811	S	S	*	*			trans	73.1	152.1	157.3	-65.6	-177.5	179.4	-162.7	0.6	116.9
536	E	30.2	Very low	29.9	Very low	146 Å²	146	155.9 Å²	155.9	68%	0.682	80%	0.803	S	S	*	*			cis	-164.9	161	-8.1	-107.4	158.4	-174.1	0	0	103.5
537	V	30.1	Very low	30.7	Very low	143 Å²	143	151.1 Å²	151.1	87%	0.867	80%	0.795	S	S	*	*				-179.8	138	105.6	159.4	0	0	0	0	109.4
538	E	32.3	Very low	30.8	Very low	165 Å²	165	152.2 Å²	152.2	77%	0.771	80%	0.797	S	S	*	*			trans	-67.2	153	174.4	-60.5	165	131.6	0	0	114.6
539	N	29.6	Very low	30.8	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	80%	0.802	S	S	*	*				153.2	125.2	124.9	-85.7	-37.3	0	0	0	111.5
540	L	28.3	Very low	31	Very low	172 Å²	172	150.6 Å²	150.6	90%	0.901	80%	0.803	S	S	*	*			trans	172.5	98.3	130.5	-92.4	156.8	0	0	0	110.6
541	L	30.5	Very low	31.2	Very low	178 Å²	178	146.9 Å²	146.9	93%	0.932	80%	0.801	S	S	*	*			trans	-139.8	114.1	154	-84.8	175.1	0	0	0	107.5
542	A	29.6	Very low	31.2	Very low	94 Å²	94	151.5 Å²	151.5	78%	0.777	81%	0.814	S	S	*	*			trans	-178.8	153.5	145.9	0	0	0	0	0	110.6
543	E	29.8	Very low	31.4	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	80%	0.803	S	S	*	*			trans	94.1	109	-178.1	-62	-172.2	-172.6	0	0	113.1
544	H	29.4	Very low	31.9	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.815	80%	0.797	S	S	*	*			cis	-142.3	152	33	-75.1	-41.8	0	0	0	113.8
545	R	30.9	Very low	32	Very low	217 Å²	217	150.9 Å²	150.9	82%	0.819	80%	0.799	S	S	*	*			trans	-128.5	140.1	166.3	-101	-171.1	-175.2	-157.3	8.9	111
546	H	31.2	Very low	32.5	Very low	154 Å²	154	150.5 Å²	150.5	71%	0.713	83%	0.827	S	S	*	*			trans	82.5	158.3	149.3	-69.9	-48	0	0	0	120.9
547	P	46.9	Very low	32.6	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	83%	0.834	S	S	*	*			cis	-134.2	-176.2	-0.2	21.4	5.3	0	0	0	116.9
548	S	31.4	Very low	32.8	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	83%	0.833	S	S	*	*			trans	-53.1	157.5	178	58.7	0	0	0	0	120.7
549	M	29.5	Very low	32.8	Very low	180 Å²	180	150.4 Å²	150.4	89%	0.887	84%	0.836	S	S	*	*			trans	-167.4	122.6	131.3	-85.9	-131.1	-110.3	0	0	107.9
550	A	32.7	Very low	33	Very low	90 Å²	90	150.6 Å²	150.6	74%	0.744	84%	0.839	S	S	*	*				73.2	117	69.1	0	0	0	0	0	114.7
551	S	32.5	Very low	33.3	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	84%	0.836	S	S	*	*			trans	27.1	130.6	155.8	-67.9	0	0	0	0	121.5
552	L	30.5	Very low	33.4	Very low	177 Å²	177	147.4 Å²	147.4	93%	0.927	83%	0.829	S	S	*	*			trans	-149.5	118	140.7	-111.6	148.3	0	0	0	111.6
553	T	34.3	Very low	33.7	Very low	110 Å²	110	151.2 Å²	151.2	68%	0.675	83%	0.833	S	S	*	*			trans	-102	144.6	168.6	-28.7	0	0	0	0	107.5
554	L	35.5	Very low	34	Very low	148 Å²	148	149.4 Å²	149.4	78%	0.775	83%	0.834	S	S	*	*			trans	77.2	136.9	150.9	-85.1	154.9	0	0	0	121.9
555	L	35.3	Very low	34.4	Very low	158 Å²	158	147.2 Å²	147.2	83%	0.827	84%	0.836	S	S	*	*			trans	86	95.1	153.5	-65.4	157.8	0	0	0	119
556	S	42	Very low	34.7	Very low	195 Å²	195	140.8 Å²	140.8	100%	1.364	84%	0.837	S	S	*	*				-174.9	0	107.2	63	0	0	0	0	110.6

Retrieved 556 of 556 residues in 1221.5 ms (Link to these results)

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