A0A087YIU6_POEFO Loading...

Enoyl-CoA hydratase domain-containing protein 3, mitochondrial

May play a role in fatty acid biosynthesis and insulin sensitivity.

AlphaFold DB , UniProt , Accession A0A087YIU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36	Very low	35.2	Very low	243 Å²	243	151.1 Å²	151.1	100%	1.197	83%	0.834	S	S	*	*				0	123	0	-88.8	-179.5	167.6	0	0	108.6
2	A	36.4	Very low	35.6	Very low	95 Å²	95	146.7 Å²	146.7	79%	0.785	83%	0.832	S	S	*	*			trans	58.8	146.4	159.2	0	0	0	0	0	119.1
3	R	34.7	Very low	35.6	Very low	230 Å²	230	150.8 Å²	150.8	87%	0.868	84%	0.835	S	S	*	*			cis	-173.2	125.1	-4.5	-108.7	176.1	173.9	-152	-1.2	105
4	S	35.9	Very low	36	Very low	99 Å²	99	153.1 Å²	153.1	69%	0.692	84%	0.837	S	S	*	*				55.6	116.1	106.1	79.7	0	0	0	0	119.9
5	M	39.4	Very low	36.1	Very low	172 Å²	172	154.9 Å²	154.9	85%	0.847	84%	0.844	S	S	*	*				67.1	136.8	123.5	-92.5	-176	169.3	0	0	125.1
6	L	36.7	Very low	36.5	Very low	134 Å²	134	151.5 Å²	151.5	70%	0.702	84%	0.835	S	S	*	*			trans	91.2	109.3	132.2	-78.4	157.5	0	0	0	122.8
7	C	31.9	Very low	36.7	Very low	112 Å²	112	156.8 Å²	156.8	76%	0.757	84%	0.839	S	S	*	*				58.3	151.4	120.8	-82.7	0	0	0	0	125.8
8	R	32	Very low	36.8	Very low	251 Å²	251	161.2 Å²	161.2	95%	0.947	84%	0.842	S	S	*	*			trans	89	126	166.4	-57.2	-179.4	174.9	-159.6	-1.5	114.1
9	G	34.8	Very low	37.4	Very low	71 Å²	71	160.3 Å²	160.3	73%	0.732	84%	0.837	S	S	*	*			cis	126	108.5	13.4	0	0	0	0	0	108.2
10	V	34.8	Very low	37.4	Very low	151 Å²	151	157.7 Å²	157.7	92%	0.915	83%	0.83	S	S	*	*			trans	-147.5	127.5	166.8	-172.9	0	0	0	0	110.1
11	S	34.9	Very low	37.7	Very low	104 Å²	104	158.1 Å²	158.1	73%	0.727	83%	0.832	S	S	*	*			trans	-76.2	142.3	174.3	178.1	0	0	0	0	111.2
12	A	39.6	Very low	38.1	Very low	98 Å²	98	154.4 Å²	154.4	81%	0.81	82%	0.816	S	S	*	*			trans	-126.3	123.7	167.5	0	0	0	0	0	110.3
13	F	35.2	Very low	38.7	Very low	200 Å²	200	155.1 Å²	155.1	88%	0.877	82%	0.816	S	S	*	*			trans	-64.7	144.6	-176.4	-99.9	-108.6	0	0	0	113.5
14	Q	41.9	Very low	39.4	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	81%	0.807	S	S	*	*			trans	-66.7	140.8	172.9	-70.2	165.7	-50	0	0	112.5
15	L	36.9	Very low	39.6	Very low	179 Å²	179	148.9 Å²	148.9	94%	0.937	81%	0.809	S	S	*	*			trans	-131.7	109.5	148.8	-103.4	125.2	0	0	0	109.2
16	S	43.3	Very low	39.9	Very low	101 Å²	101	150.9 Å²	150.9	71%	0.706	81%	0.808	S	S	*	*			trans	-74.8	125.2	178.2	122.5	0	0	0	0	110.1
17	R	39.9	Very low	39.9	Very low	241 Å²	241	150.3 Å²	150.3	91%	0.909	81%	0.813	S	S	*	*			trans	-125.8	99.4	152	-78.7	-171.4	176.4	-156.4	-0.2	108	I19	R17-I19 PolarHBondContact O-N 3.4Å
18	R	38.2	Very low	40.5	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	81%	0.814	S	S	*	*			trans	-75.9	111.5	169.5	-75	-174.1	176.8	-159.3	-0.2	108.6
19	I	47.5	Very low	41.2	Very low	145 Å²	145	147.3 Å²	147.3	74%	0.744	80%	0.804	S	S	*	*			trans	-88.5	123.9	159.9	-59	170.9	0	0	0	105.7	R17 L21	R17-I19 PolarHBondContact O-N 3.4Å; I19-L21 PolarHBondContact O-N 2.91Å; I19-L21 VanDerWaalsContact O-N 3.13Å
20	P	38.5	Very low	41.7	Very low	107 Å²	107	152.8 Å²	152.8	70%	0.695	81%	0.81	S	S	*	*			trans	-75	106.3	173.8	29.5	-28.2	0	0	0	108.3	L22	P20-L22 VanDerWaalsContact C-N 3.29Å; P20-L22 PolarHBondContact O-N 3.01Å
21	L	42.2	Very low	42.6	Very low	168 Å²	168	150.4 Å²	150.4	88%	0.88	80%	0.801	S	S	*	*			trans	-68.8	92.6	160.6	-81.5	158.5	0	0	0	107.3	I19 S23	I19-L21 PolarHBondContact O-N 2.91Å; I19-L21 VanDerWaalsContact O-N 3.13Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.19Å
22	L	44.6	Very low	43.9	Very low	164 Å²	164	154.1 Å²	154.1	86%	0.859	81%	0.806	S	S	*	*			trans	-64.2	97.3	163.3	-84.2	147.9	0	0	0	107.5	P20 A24	P20-L22 VanDerWaalsContact C-N 3.29Å; P20-L22 PolarHBondContact O-N 3.01Å; L22-A24 PolarHBondContact O-N 3.17Å; L22-A24 VanDerWaalsContact O-N 3.12Å
23	S	49.7	Very low	45.7	Very low	111 Å²	111	154 Å²	154	78%	0.776	81%	0.806	S	S	*	*			trans	-70.4	104.7	167.1	72.5	0	0	0	0	107.8	L21	L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 3.19Å
24	A	49	Very low	48.3	Very low	84 Å²	84	151 Å²	151	69%	0.694	79%	0.794	S	S	*	*			trans	-58.7	131.2	165.8	0	0	0	0	0	108.4	L22 R26	L22-A24 PolarHBondContact O-N 3.17Å; L22-A24 VanDerWaalsContact O-N 3.12Å; A24-R26 PolarHBondContact O-N 3.32Å; A24-R26 VanDerWaalsContact O-N 3.15Å
25	P	40.4	Very low	50.8	Low	113 Å²	113	145.9 Å²	145.9	73%	0.734	78%	0.777	S	S	*	*			trans	-61.7	122.7	171.5	25.3	-29.7	0	0	0	107.3	C27	P25-C27 VanDerWaalsContact C-N 3.31Å; P25-C27 PolarHBondContact O-N 2.8Å
26	R	45.4	Very low	53.7	Low	214 Å²	214	139.2 Å²	139.2	81%	0.808	74%	0.742	S	S	*	*			trans	-59.5	101.5	165.3	-85.9	178.8	174.1	-179.7	-2	106.4	A24 Y28	A24-R26 PolarHBondContact O-N 3.32Å; A24-R26 VanDerWaalsContact O-N 3.15Å; R26-Y28 PolarHBondContact O-N 3.32Å
27	C	36.4	Very low	56.3	Low	122 Å²	122	134.7 Å²	134.7	82%	0.824	71%	0.71	S	S	*	*			trans	-58.9	96.3	161.1	-82.7	0	0	0	0	106.9	P25 S29	P25-C27 VanDerWaalsContact C-N 3.31Å; P25-C27 PolarHBondContact O-N 2.8Å; C27-S29 PolarHBondContact O-N 2.92Å
28	Y	44.3	Very low	59.1	Low	195 Å²	195	125.7 Å²	125.7	77%	0.765	68%	0.68	S	S	*	*			trans	-63.8	99.3	153.3	-79.8	-88.3	0	0	0	105	R26 Q30	R26-Y28 PolarHBondContact O-N 3.32Å; Y28-Q30 PolarHBondContact O-N 2.99Å
29	S	48.2	Very low	61.9	Low	105 Å²	105	119.9 Å²	119.9	73%	0.734	66%	0.658	S	S	*	*			trans	-55.1	112.2	158.4	60.4	0	0	0	0	105.1	C27 S31	C27-S29 PolarHBondContact O-N 2.92Å; S29-S31 PolarHBondContact O-N 2.69Å
30	Q	43.8	Very low	64.3	Low	186 Å²	186	118.2 Å²	118.2	87%	0.869	65%	0.647	S	S	*	*			trans	-58.9	98	163	-72.8	-179.9	-11.7	0	0	104.7	Y28 E32	Y28-Q30 PolarHBondContact O-N 2.99Å; Q30-E32 PolarHBondContact O-N 3.27Å
31	S	55	Low	67.1	Low	102 Å²	102	117 Å²	117	71%	0.713	63%	0.632	S	S	*	*			trans	-63	110.7	167.1	60.8	0	0	0	0	104.4	S29 A33	S29-S31 PolarHBondContact O-N 2.69Å; S31-A33 PolarHBondContact O-N 3.16Å
32	E	61.2	Low	69.7	Low	182 Å²	182	115 Å²	115	85%	0.85	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-47.6	128.7	170.2	-73.8	-178.5	160.8	0	0	107.6	Q30 E34	Q30-E32 PolarHBondContact O-N 3.27Å; E32-E34 PolarHBondContact O-N 2.84Å
33	A	78.1	Confident	72.1	Confident	96 Å²	96	114.5 Å²	114.5	79%	0.793	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.7	178.1	0	0	0	0	0	107.7	S31	S31-A33 PolarHBondContact O-N 3.16Å
34	E	88.9	Confident	74.4	Confident	137 Å²	137	109.6 Å²	109.6	64%	0.64	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-51.9	139	177.9	-74.8	-170.1	-171.4	0	0	110.3	E32 N51	E32-E34 PolarHBondContact O-N 2.84Å; E34-N51 PolarHBondContact OE2-ND2 3.42Å
35	P	95.5	Very high	76.8	Confident	75 Å²	75	106.3 Å²	106.3	49%	0.487	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.9	141.9	-178.9	25	-33.5	0	0	0	110.7	T37 L38 N51	P35-T37 PolarHBondContact O-N 3.49Å; P35-L38 HydrophobicContact CG-CD2 3.83Å; P35-N51 WeakPolarHBondContact O-CB 3.21Å; P35-N51 PolarHBondContact O-ND2 2.83Å
36	L	98	Very high	79.5	Confident	39 Å²	39	101 Å²	101	20%	0.204	51%	0.512	C	S	.	.	S	Bend	trans	-66	-23.8	-177.5	-70.4	176.2	0	0	0	113	N51 N52 S62 M63	L36-N51 WeakPolarHBondContact O-CA 3.38Å; L36-N51 WeakPolarHBondContact O-CB 3.37Å; L36-N51 PolarHBondContact O-N 2.89Å; L36-N52 HydrophobicContact CD2-CB 4.2Å; L36-S62 WeakPolarHBondContact CD1-OG 3.37Å; L36-M63 HydrophobicContact CB-CE 3.99Å; L36-M63 HydrophobicContact CB-SD 4Å; L36-M63 HydrophobicContact CD1-CB 4.43Å; L36-M63 HydrophobicContact CD2-CE 4.29Å; L36-M63 VanDerWaalsContact O-CE 3.27Å; L36-M63 WeakPolarHBondContact O-CE 3.19Å; L36-M63 VanDerWaalsContact O-SD 3.39Å
37	T	98.3	Very high	82.1	Confident	6 Å²	6	93.2 Å²	93.2	4%	0.037	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.9	167.9	62.4	0	0	0	0	110.5	P35 I48 I49 L50 M63 T66 L67 N70	P35-T37 PolarHBondContact O-N 3.49Å; T37-I48 HydrophobicContact CG2-CG2 4.36Å; T37-I49 CarbonylContact C-O 3.55Å; T37-I49 WeakPolarHBondContact CA-O 3.18Å; T37-L50 HydrophobicContact CG2-CD2 4Å; T37-M63 HydrophobicContact CG2-SD 3.68Å; T37-T66 HydrophobicContact CG2-CG2 4.39Å; T37-T66 VanDerWaalsContact OG1-CG2 3.29Å; T37-T66 WeakPolarHBondContact OG1-CG2 3.37Å; T37-L67 HydrophobicContact CG2-CB 4.46Å; T37-N70 PolarHBondContact OG1-ND2 3.43Å
38	L	98.2	Very high	85	Confident	53 Å²	53	87.4 Å²	87.4	28%	0.277	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.7	165.9	-51.6	-176.1	0	0	0	109.6	P35 I48 I49 N51 K88	P35-L38 HydrophobicContact CG-CD2 3.83Å; L38-I48 CarbonylContact O-C 2.94Å; L38-I48 VanDerWaalsContact O-CA 3.31Å; L38-I48 WeakPolarHBondContact O-CA 3.45Å; L38-I49 HydrophobicContact CB-CB 4.14Å; L38-I49 HydrophobicContact CB-CD1 4.38Å; L38-I49 HydrophobicContact CB-CG1 4.42Å; L38-I49 PolarHBondContact N-O 3.36Å; L38-I49 PolarHBondContact O-N 2.78Å; L38-N51 HydrophobicContact CD2-CB 4.39Å; L38-N51 HydrophobicContact CG-CB 4.05Å; L38-K88 VanDerWaalsContact CD1-CE 3.47Å
39	R	97.6	Very high	87.6	Confident	114 Å²	114	79.8 Å²	79.8	43%	0.43	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.9	174.8	-175.5	-176.3	69.2	-156.6	16.9	110.4	R46 R47 N70 T73	R39-R46 HydrophobicContact CG-CG 4.04Å; R39-R47 VanDerWaalsContact CA-O 3.31Å; R39-R47 WeakPolarHBondContact CA-O 3.48Å; R39-N70 WeakPolarHBondContact CD-OD1 3.38Å; R39-N70 PolarHBondContact NH1-OD1 3.41Å; R39-T73 VanDerWaalsContact NH1-CB 3.34Å; R39-T73 PolarHBondContact NH1-OG1 2.96Å
40	E	97.3	Very high	90.1	Very high	110 Å²	110	75 Å²	75	51%	0.514	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142	169.3	-175.1	-174.4	175.7	0	0	108.6	R46 R47	E40-R46 CarbonylContact O-C 3.5Å; E40-R46 WeakPolarHBondContact O-CA 3.48Å; E40-R47 PolarHBondContact N-O 3.32Å; E40-R47 PolarHBondContact O-N 3.2Å
41	Q	97.3	Very high	92.7	Very high	81 Å²	81	66.5 Å²	66.5	38%	0.379	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125	174.2	-178.2	170.7	-53.8	0	0	110.3	I45 R46	Q41-I45 WeakPolarHBondContact CA-O 3.23Å; Q41-R46 HydrophobicContact CB-CB 4.4Å; Q41-R46 HydrophobicContact CG-CB 4.36Å; Q41-R46 VanDerWaalsContact OE1-CZ 3.25Å
42	K	96.7	Very high	94.7	Very high	125 Å²	125	62.8 Å²	62.8	54%	0.543	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.9	-179.7	-160.1	-173.6	-177.5	179.8	0	110.3	G44 I45	K42-G44 PolarHBondContact O-N 3.19Å; K42-I45 PolarHBondContact N-O 2.7Å; K42-I45 PolarHBondContact O-N 2.66Å
43	H	95.6	Very high	96.5	Very high	154 Å²	154	56.9 Å²	56.9	71%	0.713	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.4	176.3	-51.7	-53.5	0	0	0	113.8	I45 C230	H43-I45 PolarHBondContact O-N 2.81Å; H43-C230 PolarHBondContact O-SG 2.84Å
44	G	97.1	Very high	97.4	Very high	9 Å²	9	63.4 Å²	63.4	9%	0.093	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	1	-178.9	0	0	0	0	0	116.4	K42 D79 R81 V82	K42-G44 PolarHBondContact O-N 3.19Å; G44-D79 WeakPolarHBondContact CA-O 3.39Å; G44-R81 WeakPolarHBondContact O-CA 3.46Å; G44-R81 WeakPolarHBondContact O-CB 3.43Å; G44-R81 PolarHBondContact O-N 2.99Å; G44-V82 PolarHBondContact O-N 3.19Å
45	I	98.6	Very high	97.8	Very high	15 Å²	15	61.5 Å²	61.5	8%	0.077	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	174.8	-55.1	174.4	0	0	0	108.3	Q41 K42 H43 V82 I84 L223 A226 Q227 C230	Q41-I45 WeakPolarHBondContact CA-O 3.23Å; K42-I45 PolarHBondContact N-O 2.7Å; K42-I45 PolarHBondContact O-N 2.66Å; H43-I45 PolarHBondContact O-N 2.81Å; I45-V82 HydrophobicContact CB-CG1 4.26Å; I45-V82 HydrophobicContact CG1-CG1 3.81Å; I45-V82 HydrophobicContact CG2-CG1 4.27Å; I45-I84 HydrophobicContact CG2-CD1 3.56Å; I45-I84 HydrophobicContact CG2-CG1 4.04Å; I45-L223 HydrophobicContact CD1-CD2 4.35Å; I45-A226 HydrophobicContact CD1-CB 3.75Å; I45-A226 HydrophobicContact CG1-CB 4.11Å; I45-A226 HydrophobicContact CG2-CB 4.24Å; I45-Q227 HydrophobicContact CD1-CG 4.06Å; I45-C230 VanDerWaalsContact CG1-SG 3.58Å
46	R	98.7	Very high	98	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.2	169	179.1	-179.6	-63.4	169.8	2.9	110.3	R39 E40 Q41 I48 N70 I71 T73 L80 V82 I83 I84	R39-R46 HydrophobicContact CG-CG 4.04Å; E40-R46 CarbonylContact O-C 3.5Å; E40-R46 WeakPolarHBondContact O-CA 3.48Å; Q41-R46 HydrophobicContact CB-CB 4.4Å; Q41-R46 HydrophobicContact CG-CB 4.36Å; Q41-R46 VanDerWaalsContact OE1-CZ 3.25Å; R46-I48 HydrophobicContact CG-CG1 4.11Å; R46-N70 PolarHBondContact NH1-O 3.36Å; R46-I71 PolarHBondContact NH1-O 3.22Å; R46-T73 PolarHBondContact NH1-O 3.09Å; R46-T73 PolarHBondContact NH2-O 3.33Å; R46-L80 HydrophobicContact CB-CD1 3.52Å; R46-V82 PolarHBondContact N-O 3.24Å; R46-I83 HydrophobicContact CB-CG1 4.24Å; R46-I83 CarbonylContact O-C 3.56Å; R46-I83 VanDerWaalsContact O-CA 3.27Å; R46-I83 WeakPolarHBondContact O-CA 3.46Å; R46-I84 PolarHBondContact O-N 3.5Å
47	R	98.8	Very high	98	Very high	49 Å²	49	64 Å²	64	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.2	172.1	-53.9	177	71.7	119.9	8.6	108.6	R39 E40 I84 E219	R39-R47 VanDerWaalsContact CA-O 3.31Å; R39-R47 WeakPolarHBondContact CA-O 3.48Å; E40-R47 PolarHBondContact N-O 3.32Å; E40-R47 PolarHBondContact O-N 3.2Å; R47-I84 WeakPolarHBondContact CA-O 3.33Å; R47-E219 IonicContact CZ-OE1 2.6Å; R47-E219 IonicContact CZ-OE2 2.83Å; R47-E219 IonicContact NH1-OE1 3.22Å; R47-E219 PolarHBondContact NH1-OE1 3.45Å; R47-E219 IonicContact NH2-OE1 3.13Å; R47-E219 PolarHBondContact NH2-OE1 3.34Å; R47-E219 IonicContact NH2-OE2 3.84Å; R47-E219 PolarHBondContact NH2-OE2 2.78Å
48	I	98.8	Very high	98	Very high	1 Å²	1	64 Å²	64	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.7	168.6	-53.8	173.3	0	0	0	107.3	T37 L38 R46 L67 N70 I71 I83 I84 L85 S86	T37-I48 HydrophobicContact CG2-CG2 4.36Å; L38-I48 CarbonylContact O-C 2.94Å; L38-I48 VanDerWaalsContact O-CA 3.31Å; L38-I48 WeakPolarHBondContact O-CA 3.45Å; R46-I48 HydrophobicContact CG-CG1 4.11Å; I48-L67 HydrophobicContact CG2-CD1 3.82Å; I48-N70 HydrophobicContact CD1-CB 3.94Å; I48-N70 HydrophobicContact CG1-CB 4.36Å; I48-N70 HydrophobicContact CG2-CB 4.33Å; I48-I71 HydrophobicContact CD1-CG1 3.82Å; I48-I83 HydrophobicContact CD1-CG2 3.92Å; I48-I83 HydrophobicContact CG1-CG2 4.23Å; I48-I84 PolarHBondContact N-O 3.37Å; I48-L85 HydrophobicContact CB-CD2 3.7Å; I48-L85 HydrophobicContact CD1-CD2 4.01Å; I48-L85 HydrophobicContact CG1-CD2 4.27Å; I48-L85 HydrophobicContact CG2-CD2 4.29Å; I48-L85 WeakPolarHBondContact O-CA 3.06Å; I48-S86 PolarHBondContact O-N 2.99Å
49	I	98.9	Very high	98.1	Very high	35 Å²	35	61.5 Å²	61.5	18%	0.179	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.8	-174.2	-45.1	177.1	0	0	0	108.5	T37 L38 N51 S86 K88	T37-I49 CarbonylContact C-O 3.55Å; T37-I49 WeakPolarHBondContact CA-O 3.18Å; L38-I49 HydrophobicContact CB-CB 4.14Å; L38-I49 HydrophobicContact CB-CD1 4.38Å; L38-I49 HydrophobicContact CB-CG1 4.42Å; L38-I49 PolarHBondContact N-O 3.36Å; L38-I49 PolarHBondContact O-N 2.78Å; I49-N51 PolarHBondContact O-N 3.11Å; I49-S86 CarbonylContact C-O 3.51Å; I49-S86 WeakPolarHBondContact CA-O 3.25Å; I49-K88 HydrophobicContact CG2-CG 3.83Å
50	L	98.9	Very high	98.1	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.7	169.7	-51.6	-176.6	0	0	0	108.9	T37 N57 M63 L67 S86 A87 K88 L146	T37-L50 HydrophobicContact CG2-CD2 4Å; L50-N57 HydrophobicContact CB-CB 3.94Å; L50-N57 HydrophobicContact CD1-CB 4.25Å; L50-N57 PolarHBondContact O-OD1 3.45Å; L50-M63 HydrophobicContact CD2-SD 3.95Å; L50-L67 HydrophobicContact CD2-CD1 4.33Å; L50-L67 HydrophobicContact CD2-CD2 4.33Å; L50-S86 PolarHBondContact N-O 2.64Å; L50-A87 HydrophobicContact CB-CB 4.04Å; L50-K88 PolarHBondContact O-N 3.27Å; L50-L146 HydrophobicContact CD1-CD2 4.33Å
51	N	98.6	Very high	98.2	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.043	23%	0.229	C	C	.	.			trans	-123.2	49.4	-166.2	-172.2	50.3	0	0	0	112.1	E34 P35 L36 L38 I49 K88	E34-N51 PolarHBondContact OE2-ND2 3.42Å; P35-N51 WeakPolarHBondContact O-CB 3.21Å; P35-N51 PolarHBondContact O-ND2 2.83Å; L36-N51 WeakPolarHBondContact O-CA 3.38Å; L36-N51 WeakPolarHBondContact O-CB 3.37Å; L36-N51 PolarHBondContact O-N 2.89Å; L38-N51 HydrophobicContact CD2-CB 4.39Å; L38-N51 HydrophobicContact CG-CB 4.05Å; I49-N51 PolarHBondContact O-N 3.11Å; N51-K88 WeakPolarHBondContact OD1-CD 3.43Å; N51-K88 WeakPolarHBondContact OD1-CE 3.4Å; N51-K88 PolarHBondContact OD1-NZ 2.74Å
52	N	98.3	Very high	98.2	Very high	24 Å²	24	50 Å²	50	13%	0.128	23%	0.228	C	C	.	.			trans	-136.4	60.7	170.6	-161	-13.4	0	0	0	112.4	L36 R54 K55 R56 N57 M63	L36-N52 HydrophobicContact CD2-CB 4.2Å; N52-R54 PolarHBondContact O-N 2.86Å; N52-K55 CarbonylContact O-C 3.44Å; N52-K55 PolarHBondContact O-N 2.64Å; N52-K55 PolarHBondContact OD1-N 3.16Å; N52-R56 PolarHBondContact O-N 2.75Å; N52-N57 WeakPolarHBondContact CA-OD1 3.47Å; N52-N57 PolarHBondContact N-OD1 3.48Å; N52-N57 PolarHBondContact O-N 2.95Å; N52-N57 PolarHBondContact O-OD1 3.42Å; N52-M63 HydrophobicContact CB-CE 3.79Å
53	P	97.9	Very high	98.3	Very high	58 Å²	58	44 Å²	44	38%	0.377	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.9	-31	-176.8	22.7	-33.6	0	0	0	112.8	K55 R56 K88	P53-K55 PolarHBondContact O-N 2.75Å; P53-R56 PolarHBondContact O-N 3.2Å; P53-K88 HydrophobicContact CG-CB 4.39Å
54	R	97.5	Very high	98.5	Very high	232 Å²	232	36.7 Å²	36.7	88%	0.875	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-61.5	-31.8	177.2	-67	-173.4	-69.1	-167.7	-4.1	112.8	N52	N52-R54 PolarHBondContact O-N 2.86Å
55	K	97.9	Very high	98.6	Very high	97 Å²	97	39.4 Å²	39.4	42%	0.422	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-102.8	22	172	-67.2	-165.5	171.5	-165.7	0	112.6	N52 P53 N57 A58 D97	N52-K55 CarbonylContact O-C 3.44Å; N52-K55 PolarHBondContact O-N 2.64Å; N52-K55 PolarHBondContact OD1-N 3.16Å; P53-K55 PolarHBondContact O-N 2.75Å; K55-N57 PolarHBondContact O-N 3.48Å; K55-N57 VanDerWaalsContact O-N 3.13Å; K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 3.32Å; K55-D97 IonicContact NZ-OD2 2.88Å; K55-D97 PolarHBondContact NZ-OD2 3.04Å
56	R	98.5	Very high	98.6	Very high	165 Å²	165	40.3 Å²	40.3	62%	0.623	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.5	-180	-58.3	-180	-179.1	151.2	-0.7	113.4	N52 P53 A58 V91 S94	N52-R56 PolarHBondContact O-N 2.75Å; P53-R56 PolarHBondContact O-N 3.2Å; R56-A58 PolarHBondContact O-N 3.19Å; R56-V91 HydrophobicContact CB-CB 4.1Å; R56-V91 HydrophobicContact CB-CG1 3.97Å; R56-V91 HydrophobicContact CB-CG2 4.24Å; R56-V91 HydrophobicContact CG-CG2 4.21Å; R56-S94 PolarHBondContact O-N 3.18Å; R56-S94 PolarHBondContact O-OG 3.4Å
57	N	98.8	Very high	98.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.1	-176.8	-58.4	-49.9	0	0	0	112.6	L50 N52 K55 L59 K88 V91 F92 S93	L50-N57 HydrophobicContact CB-CB 3.94Å; L50-N57 HydrophobicContact CD1-CB 4.25Å; L50-N57 PolarHBondContact O-OD1 3.45Å; N52-N57 WeakPolarHBondContact CA-OD1 3.47Å; N52-N57 PolarHBondContact N-OD1 3.48Å; N52-N57 PolarHBondContact O-N 2.95Å; N52-N57 PolarHBondContact O-OD1 3.42Å; K55-N57 PolarHBondContact O-N 3.48Å; K55-N57 VanDerWaalsContact O-N 3.13Å; N57-L59 PolarHBondContact O-N 3.26Å; N57-K88 PolarHBondContact ND2-O 2.89Å; N57-V91 PolarHBondContact ND2-O 3.01Å; N57-F92 WeakPolarHBondContact CB-O 3.44Å; N57-S93 WeakPolarHBondContact O-CB 3.44Å; N57-S93 PolarHBondContact O-OG 3.25Å
58	A	98.8	Very high	98.5	Very high	6 Å²	6	41.9 Å²	41.9	5%	0.05	19%	0.191	C	C	.	.			trans	-56.7	134.9	175.2	0	0	0	0	0	110.7	K55 R56 S60 G95 D97	K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 3.32Å; R56-A58 PolarHBondContact O-N 3.19Å; A58-S60 PolarHBondContact O-N 2.87Å; A58-G95 CarbonylContact C-O 3.46Å; A58-G95 WeakPolarHBondContact CA-O 3.23Å; A58-D97 HydrophobicContact CB-CB 4.1Å
59	L	98.8	Very high	98.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.217	C	C	.	.			trans	-77.7	64.8	175	-58	-178.8	0	0	0	109.6	N57 M63 L64 G95 H96 M121 A142	N57-L59 PolarHBondContact O-N 3.26Å; L59-M63 HydrophobicContact CD2-CG 4.02Å; L59-L64 HydrophobicContact CB-CD1 4.47Å; L59-L64 HydrophobicContact CB-CD2 4.03Å; L59-L64 HydrophobicContact CB-CG 4.09Å; L59-L64 HydrophobicContact CD1-CD2 4.33Å; L59-L64 HydrophobicContact CD2-CD2 4.42Å; L59-L64 HydrophobicContact CG-CD2 4.48Å; L59-G95 PolarHBondContact N-O 2.98Å; L59-H96 PolarHBondContact O-ND1 2.71Å; L59-M121 HydrophobicContact CD1-CE 4.31Å; L59-A142 HydrophobicContact CD1-CB 3.86Å; L59-A142 WeakPolarHBondContact CD1-O 3.5Å
60	S	98.8	Very high	98.5	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	21%	0.212	C	C	.	.			trans	-58.5	161.3	164	60.3	0	0	0	0	110.2	A58 S62 M63 L64 E100	A58-S60 PolarHBondContact O-N 2.87Å; S60-S62 PolarHBondContact O-N 2.79Å; S60-S62 PolarHBondContact OG-OG 3.44Å; S60-M63 WeakPolarHBondContact O-CB 3.44Å; S60-M63 PolarHBondContact O-N 3.22Å; S60-M63 WeakPolarHBondContact OG-CB 3.44Å; S60-M63 PolarHBondContact OG-N 3.11Å; S60-M63 VanDerWaalsContact OG-N 3.17Å; S60-L64 WeakPolarHBondContact O-CG 3.27Å; S60-L64 PolarHBondContact O-N 3.43Å; S60-E100 VanDerWaalsContact CA-OE2 3.23Å; S60-E100 WeakPolarHBondContact CA-OE2 3.29Å; S60-E100 VanDerWaalsContact CB-OE1 3.31Å; S60-E100 WeakPolarHBondContact CB-OE1 3.45Å
61	L	98.8	Very high	98.4	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-53.2	-44.7	174.7	180	58.7	0	0	0	111.4	M63 L64 E65 E100 Y109 K112 V113 T116	L61-M63 PolarHBondContact O-N 3.08Å; L61-L64 PolarHBondContact O-N 2.65Å; L61-E65 HydrophobicContact CD1-CG 4.21Å; L61-E65 HydrophobicContact CG-CG 4.47Å; L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 3.32Å; L61-E100 PolarHBondContact N-OE2 3.02Å; L61-Y109 HydrophobicContact CD2-CE2 3.72Å; L61-K112 HydrophobicContact CD1-CD 4.39Å; L61-K112 HydrophobicContact CD1-CG 4.18Å; L61-K112 HydrophobicContact CD2-CD 3.82Å; L61-K112 HydrophobicContact CD2-CG 4.32Å; L61-V113 HydrophobicContact CB-CG2 4.21Å; L61-T116 HydrophobicContact CD1-CG2 4.2Å
62	S	98.5	Very high	98.4	Very high	51 Å²	51	49.7 Å²	49.7	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-41.8	176.8	52.5	0	0	0	0	113.1	L36 S60 L64 E65 T66	L36-S62 WeakPolarHBondContact CD1-OG 3.37Å; S60-S62 PolarHBondContact O-N 2.79Å; S60-S62 PolarHBondContact OG-OG 3.44Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 3.26Å; S62-E65 PolarHBondContact O-N 2.93Å; S62-T66 WeakPolarHBondContact O-CB 3.36Å; S62-T66 PolarHBondContact O-N 3.41Å; S62-T66 PolarHBondContact O-OG1 3.14Å
63	M	98.8	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.6	177.1	67.4	76.7	0	0	110.8	L36 T37 L50 N52 L59 S60 L61 L67	L36-M63 HydrophobicContact CB-CE 3.99Å; L36-M63 HydrophobicContact CB-SD 4Å; L36-M63 HydrophobicContact CD1-CB 4.43Å; L36-M63 HydrophobicContact CD2-CE 4.29Å; L36-M63 VanDerWaalsContact O-CE 3.27Å; L36-M63 WeakPolarHBondContact O-CE 3.19Å; L36-M63 VanDerWaalsContact O-SD 3.39Å; T37-M63 HydrophobicContact CG2-SD 3.68Å; L50-M63 HydrophobicContact CD2-SD 3.95Å; N52-M63 HydrophobicContact CB-CE 3.79Å; L59-M63 HydrophobicContact CD2-CG 4.02Å; S60-M63 WeakPolarHBondContact O-CB 3.44Å; S60-M63 PolarHBondContact O-N 3.22Å; S60-M63 WeakPolarHBondContact OG-CB 3.44Å; S60-M63 PolarHBondContact OG-N 3.11Å; S60-M63 VanDerWaalsContact OG-N 3.17Å; L61-M63 PolarHBondContact O-N 3.08Å; M63-L67 WeakPolarHBondContact O-CB 3.38Å; M63-L67 PolarHBondContact O-N 2.92Å
64	L	98.9	Very high	98	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-44.6	178.4	-71.5	167.6	0	0	0	111.9	L59 S60 L61 S62 L67 R68 T116 C117 V120	L59-L64 HydrophobicContact CB-CD1 4.47Å; L59-L64 HydrophobicContact CB-CD2 4.03Å; L59-L64 HydrophobicContact CB-CG 4.09Å; L59-L64 HydrophobicContact CD1-CD2 4.33Å; L59-L64 HydrophobicContact CD2-CD2 4.42Å; L59-L64 HydrophobicContact CG-CD2 4.48Å; S60-L64 WeakPolarHBondContact O-CG 3.27Å; S60-L64 PolarHBondContact O-N 3.43Å; L61-L64 PolarHBondContact O-N 2.65Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 3.26Å; L64-L67 PolarHBondContact O-N 3.1Å; L64-R68 VanDerWaalsContact O-CB 3.32Å; L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 PolarHBondContact O-N 3.14Å; L64-T116 HydrophobicContact CB-CG2 3.91Å; L64-C117 HydrophobicContact CD1-CB 3.77Å; L64-C117 HydrophobicContact CD2-CB 4.27Å; L64-V120 HydrophobicContact CD2-CG2 4.33Å
65	E	98.6	Very high	97.8	Very high	65 Å²	65	42.4 Å²	42.4	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-46.9	176.7	-73.5	173.5	164.2	0	0	111	L61 S62 R68 E69 K112 T116	L61-E65 HydrophobicContact CD1-CG 4.21Å; L61-E65 HydrophobicContact CG-CG 4.47Å; L61-E65 WeakPolarHBondContact O-CG 3.47Å; L61-E65 PolarHBondContact O-N 3.32Å; S62-E65 PolarHBondContact O-N 2.93Å; E65-R68 PolarHBondContact O-N 3.19Å; E65-E69 WeakPolarHBondContact O-CB 3.31Å; E65-E69 PolarHBondContact O-N 2.77Å; E65-K112 WeakPolarHBondContact OE1-CE 3.39Å; E65-K112 IonicContact OE1-NZ 2.82Å; E65-K112 PolarHBondContact OE1-NZ 3.21Å; E65-T116 HydrophobicContact CG-CG2 4.22Å
66	T	98.3	Very high	97.4	Very high	35 Å²	35	44 Å²	44	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-38	176.9	-53.8	0	0	0	0	112.5	T37 S62 N70	T37-T66 HydrophobicContact CG2-CG2 4.39Å; T37-T66 VanDerWaalsContact OG1-CG2 3.29Å; T37-T66 WeakPolarHBondContact OG1-CG2 3.37Å; S62-T66 WeakPolarHBondContact O-CB 3.36Å; S62-T66 PolarHBondContact O-N 3.41Å; S62-T66 PolarHBondContact O-OG1 3.14Å; T66-N70 PolarHBondContact O-N 3.25Å; T66-N70 PolarHBondContact O-ND2 3.31Å
67	L	98.7	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-46.5	175.3	177.7	58.3	0	0	0	110.8	T37 I48 L50 M63 L64 E69 N70 I71 L85 V120 L146	T37-L67 HydrophobicContact CG2-CB 4.46Å; I48-L67 HydrophobicContact CG2-CD1 3.82Å; L50-L67 HydrophobicContact CD2-CD1 4.33Å; L50-L67 HydrophobicContact CD2-CD2 4.33Å; M63-L67 WeakPolarHBondContact O-CB 3.38Å; M63-L67 PolarHBondContact O-N 2.92Å; L64-L67 PolarHBondContact O-N 3.1Å; L67-E69 VanDerWaalsContact C-N 3.34Å; L67-E69 PolarHBondContact O-N 3.42Å; L67-N70 PolarHBondContact O-N 3.34Å; L67-I71 HydrophobicContact CD1-CD1 3.94Å; L67-I71 HydrophobicContact CD1-CG1 4.22Å; L67-I71 HydrophobicContact CG-CD1 3.89Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.95Å; L67-L85 HydrophobicContact CD1-CD2 4.12Å; L67-V120 HydrophobicContact CD2-CG1 3.96Å; L67-V120 HydrophobicContact CG-CG1 4.35Å; L67-L146 HydrophobicContact CD2-CD1 4.45Å; L67-L146 HydrophobicContact CD2-CD2 4.25Å
68	R	98.5	Very high	96.2	Very high	84 Å²	84	43 Å²	43	32%	0.317	23%	0.229	S	C	.	.	H	α-helix	trans	-57.1	-47.6	176.3	-170.7	-179.4	66.8	177.3	2	111.3	L64 E65 N70 I71 L72 E119 V120 L123	L64-R68 VanDerWaalsContact O-CB 3.32Å; L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 PolarHBondContact O-N 3.14Å; E65-R68 PolarHBondContact O-N 3.19Å; R68-N70 PolarHBondContact O-N 3.09Å; R68-I71 PolarHBondContact O-N 3.36Å; R68-L72 HydrophobicContact CG-CD1 3.96Å; R68-L72 WeakPolarHBondContact O-CB 3.33Å; R68-L72 WeakPolarHBondContact O-CG 3.48Å; R68-L72 PolarHBondContact O-N 2.79Å; R68-E119 IonicContact CZ-OE2 3.97Å; R68-E119 IonicContact NH1-OE2 2.8Å; R68-E119 PolarHBondContact NH1-OE2 2.72Å; R68-V120 HydrophobicContact CB-CG2 3.85Å; R68-V120 HydrophobicContact CG-CG2 4.35Å; R68-L123 HydrophobicContact CG-CD2 4.13Å
69	E	98.3	Very high	95.9	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	26%	0.258	S	S	*	.	H	α-helix	trans	-58.5	-46.7	177.7	-175.9	-173.3	166.2	0	0	111.9	E65 L67 I71 L72 T73	E65-E69 WeakPolarHBondContact O-CB 3.31Å; E65-E69 PolarHBondContact O-N 2.77Å; L67-E69 VanDerWaalsContact C-N 3.34Å; L67-E69 PolarHBondContact O-N 3.42Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.32Å; E69-L72 PolarHBondContact O-N 3.21Å; E69-T73 PolarHBondContact O-N 2.96Å; E69-T73 PolarHBondContact O-OG1 3.3Å
70	N	98	Very high	95.8	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-70.7	-28.2	-179.6	-79	-62	0	0	0	113.8	T37 R39 R46 I48 T66 L67 R68	T37-N70 PolarHBondContact OG1-ND2 3.43Å; R39-N70 WeakPolarHBondContact CD-OD1 3.38Å; R39-N70 PolarHBondContact NH1-OD1 3.41Å; R46-N70 PolarHBondContact NH1-O 3.36Å; I48-N70 HydrophobicContact CD1-CB 3.94Å; I48-N70 HydrophobicContact CG1-CB 4.36Å; I48-N70 HydrophobicContact CG2-CB 4.33Å; T66-N70 PolarHBondContact O-N 3.25Å; T66-N70 PolarHBondContact O-ND2 3.31Å; L67-N70 PolarHBondContact O-N 3.34Å; R68-N70 PolarHBondContact O-N 3.09Å
71	I	98.1	Very high	95.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-47.7	170.2	-72.2	168.5	0	0	0	110	R46 I48 L67 R68 E69 I83 V120 L123 I124 L127	R46-I71 PolarHBondContact NH1-O 3.22Å; I48-I71 HydrophobicContact CD1-CG1 3.82Å; L67-I71 HydrophobicContact CD1-CD1 3.94Å; L67-I71 HydrophobicContact CD1-CG1 4.22Å; L67-I71 HydrophobicContact CG-CD1 3.89Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.95Å; R68-I71 PolarHBondContact O-N 3.36Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.32Å; I71-I83 HydrophobicContact CG2-CD1 4.29Å; I71-V120 HydrophobicContact CD1-CG1 4.36Å; I71-L123 HydrophobicContact CB-CD2 4.26Å; I71-L123 HydrophobicContact CG2-CD2 3.63Å; I71-L123 HydrophobicContact CG2-CG 4.07Å; I71-I124 HydrophobicContact CD1-CG1 4.24Å; I71-L127 HydrophobicContact CG2-CD1 3.64Å; I71-L127 HydrophobicContact CG2-CD2 4Å; I71-L127 HydrophobicContact CG2-CG 4.29Å
72	L	97.3	Very high	95.8	Very high	76 Å²	76	49 Å²	49	40%	0.398	26%	0.258	S	S	.	.	H	α-helix	trans	-78.2	-25.4	-173.2	-71.7	175.3	0	0	0	114.9	R68 E69 D74 V75 L123	R68-L72 HydrophobicContact CG-CD1 3.96Å; R68-L72 WeakPolarHBondContact O-CB 3.33Å; R68-L72 WeakPolarHBondContact O-CG 3.48Å; R68-L72 PolarHBondContact O-N 2.79Å; E69-L72 PolarHBondContact O-N 3.21Å; L72-D74 PolarHBondContact O-N 2.56Å; L72-V75 WeakPolarHBondContact O-CB 3.3Å; L72-V75 WeakPolarHBondContact O-CG1 3.47Å; L72-V75 PolarHBondContact O-N 3.17Å; L72-L123 HydrophobicContact CD1-CD2 4.25Å; L72-L123 HydrophobicContact CD2-CD1 3.59Å; L72-L123 HydrophobicContact CD2-CD2 3.72Å; L72-L123 HydrophobicContact CD2-CG 4.26Å; L72-L123 HydrophobicContact CG-CD2 3.74Å
73	T	95.9	Very high	95.8	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.184	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	124.3	-177.5	-61.7	0	0	0	0	110.4	R39 R46 E69 V75	R39-T73 VanDerWaalsContact NH1-CB 3.34Å; R39-T73 PolarHBondContact NH1-OG1 2.96Å; R46-T73 PolarHBondContact NH1-O 3.09Å; R46-T73 PolarHBondContact NH2-O 3.33Å; E69-T73 PolarHBondContact O-N 2.96Å; E69-T73 PolarHBondContact O-OG1 3.3Å; T73-V75 PolarHBondContact O-N 3.11Å
74	D	93.3	Very high	95.8	Very high	115 Å²	115	46.7 Å²	46.7	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	32.3	177.5	-50.9	-35	0	0	0	114.6	L72 D76 G77	L72-D74 PolarHBondContact O-N 2.56Å; D74-D76 PolarHBondContact O-N 2.94Å; D74-G77 PolarHBondContact O-N 2.94Å
75	V	93.4	Very high	95.8	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.4	-175.9	65.6	0	0	0	0	112.4	L72 T73 G77 L127 P128 R234	L72-V75 WeakPolarHBondContact O-CB 3.3Å; L72-V75 WeakPolarHBondContact O-CG1 3.47Å; L72-V75 PolarHBondContact O-N 3.17Å; T73-V75 PolarHBondContact O-N 3.11Å; V75-G77 PolarHBondContact O-N 2.99Å; V75-L127 HydrophobicContact CG2-CD2 3.34Å; V75-P128 HydrophobicContact CG2-CG 4.33Å; V75-R234 PolarHBondContact O-NH2 2.75Å
76	D	89.4	Confident	95.8	Very high	130 Å²	130	44 Å²	44	70%	0.695	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-3	176.4	-63	-42.1	0	0	0	113.1	D74 E78	D74-D76 PolarHBondContact O-N 2.94Å; D76-E78 PolarHBondContact O-N 3.09Å
77	G	88.3	Confident	95.9	Very high	30 Å²	30	43.6 Å²	43.6	31%	0.309	23%	0.23	S	C	.	.			trans	-59.1	134.4	177	0	0	0	0	0	111.8	D74 V75 D79 L80	D74-G77 PolarHBondContact O-N 2.94Å; V75-G77 PolarHBondContact O-N 2.99Å; G77-D79 PolarHBondContact O-N 3.17Å; G77-L80 PolarHBondContact O-N 3.36Å
78	E	83.5	Confident	95.9	Very high	117 Å²	117	47.4 Å²	47.4	55%	0.547	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.7	-178.9	-69.8	-172.2	-179.3	0	0	113.6	D76 R81	D76-E78 PolarHBondContact O-N 3.09Å; E78-R81 PolarHBondContact O-NH1 3.24Å; E78-R81 PolarHBondContact O-NH2 2.96Å
79	D	92.1	Very high	95.8	Very high	122 Å²	122	45.4 Å²	45.4	65%	0.652	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-27.3	179.4	-75	-24	0	0	0	113.6	G44 G77 R81	G44-D79 WeakPolarHBondContact CA-O 3.39Å; G77-D79 PolarHBondContact O-N 3.17Å; D79-R81 PolarHBondContact O-N 3.46Å; D79-R81 PolarHBondContact O-NH1 3.12Å; D79-R81 VanDerWaalsContact O-NH1 3.16Å
80	L	97.4	Very high	95.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.255	C	S	.	.			trans	-76.2	128.5	-175.5	-176.8	62.7	0	0	0	110.6	R46 G77 I129 R234	R46-L80 HydrophobicContact CB-CD1 3.52Å; G77-L80 PolarHBondContact O-N 3.36Å; L80-I129 HydrophobicContact CD1-CD1 4.16Å; L80-I129 HydrophobicContact CD2-CD1 3.23Å; L80-I129 HydrophobicContact CG-CD1 3.39Å; L80-R234 WeakPolarHBondContact O-CD 3.48Å; L80-R234 PolarHBondContact O-NE 3.4Å; L80-R234 VanDerWaalsContact O-NE 3.16Å
81	R	98.1	Very high	95.8	Very high	23 Å²	23	44.7 Å²	44.7	9%	0.087	26%	0.258	C	S	.	.			trans	-119.4	-35	-177.5	-62.3	-70.4	172.9	-76.6	-3.6	113.1	G44 E78 D79 I129 P130 C230 H289	G44-R81 WeakPolarHBondContact O-CA 3.46Å; G44-R81 WeakPolarHBondContact O-CB 3.43Å; G44-R81 PolarHBondContact O-N 2.99Å; E78-R81 PolarHBondContact O-NH1 3.24Å; E78-R81 PolarHBondContact O-NH2 2.96Å; D79-R81 PolarHBondContact O-N 3.46Å; D79-R81 PolarHBondContact O-NH1 3.12Å; D79-R81 VanDerWaalsContact O-NH1 3.16Å; R81-I129 WeakPolarHBondContact O-CB 3.35Å; R81-P130 VanDerWaalsContact O-CD 3.31Å; R81-P130 WeakPolarHBondContact O-CD 3.48Å; R81-C230 HydrophobicContact CB-CB 4.43Å; R81-C230 HydrophobicContact CG-CB 4.38Å; R81-H289 PolarHBondContact NE-CE1 3.15Å; R81-H289 PolarHBondContact NH2-CD2 3.27Å; R81-H289 PolarHBondContact NH2-NE2 3.12Å
82	V	98.8	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	144.6	-173.5	58.9	0	0	0	0	110.7	G44 I45 R46 P130 I132 A226 V229	G44-V82 PolarHBondContact O-N 3.19Å; I45-V82 HydrophobicContact CB-CG1 4.26Å; I45-V82 HydrophobicContact CG1-CG1 3.81Å; I45-V82 HydrophobicContact CG2-CG1 4.27Å; R46-V82 PolarHBondContact N-O 3.24Å; V82-P130 WeakPolarHBondContact CA-O 3.19Å; V82-P130 HydrophobicContact CG2-CB 4.36Å; V82-I132 HydrophobicContact CG2-CD1 3.62Å; V82-I132 HydrophobicContact CG2-CG1 3.84Å; V82-A226 HydrophobicContact CG1-CB 3.82Å; V82-A226 HydrophobicContact CG2-CB 4.44Å; V82-V229 HydrophobicContact CB-CB 4.32Å; V82-V229 HydrophobicContact CB-CG1 4Å
83	I	98.9	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.5	171.3	-63.2	175.3	0	0	0	109.3	R46 I48 I71 L85 L127 I129 P130 V131 I132	R46-I83 HydrophobicContact CB-CG1 4.24Å; R46-I83 CarbonylContact O-C 3.56Å; R46-I83 VanDerWaalsContact O-CA 3.27Å; R46-I83 WeakPolarHBondContact O-CA 3.46Å; I48-I83 HydrophobicContact CD1-CG2 3.92Å; I48-I83 HydrophobicContact CG1-CG2 4.23Å; I71-I83 HydrophobicContact CG2-CD1 4.29Å; I83-L85 HydrophobicContact CG2-CD2 3.68Å; I83-L85 HydrophobicContact CG2-CG 4.22Å; I83-L127 HydrophobicContact CD1-CD1 4.23Å; I83-I129 HydrophobicContact CD1-CD1 3.95Å; I83-I129 HydrophobicContact CG1-CD1 3.82Å; I83-P130 PolarHBondContact N-O 3.44Å; I83-V131 HydrophobicContact CB-CG1 4.32Å; I83-V131 HydrophobicContact CB-CG2 4.29Å; I83-V131 HydrophobicContact CG2-CG1 4.25Å; I83-V131 CarbonylContact O-C 3.54Å; I83-V131 WeakPolarHBondContact O-CA 3.47Å; I83-I132 PolarHBondContact O-N 2.96Å
84	I	98.9	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.9	165.7	-59.3	170	0	0	0	107.9	I45 R46 R47 I48 I132 M134 T222 L223 A226	I45-I84 HydrophobicContact CG2-CD1 3.56Å; I45-I84 HydrophobicContact CG2-CG1 4.04Å; R46-I84 PolarHBondContact O-N 3.5Å; R47-I84 WeakPolarHBondContact CA-O 3.33Å; I48-I84 PolarHBondContact N-O 3.37Å; I84-I132 CarbonylContact C-O 3.57Å; I84-I132 WeakPolarHBondContact CA-O 3.26Å; I84-I132 HydrophobicContact CG1-CB 4.4Å; I84-M134 HydrophobicContact CG2-CB 3.97Å; I84-T222 HydrophobicContact CD1-CG2 3.91Å; I84-T222 HydrophobicContact CG1-CG2 4.14Å; I84-T222 HydrophobicContact CG2-CG2 3.74Å; I84-L223 HydrophobicContact CD1-CD2 3.97Å; I84-A226 HydrophobicContact CD1-CB 3.87Å; I84-A226 HydrophobicContact CG1-CB 4.28Å
85	L	98.9	Very high	96.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.7	170.6	-60.4	-172.5	0	0	0	109.7	I48 L67 I83 I124 V131 I132 M134 L146	I48-L85 HydrophobicContact CB-CD2 3.7Å; I48-L85 HydrophobicContact CD1-CD2 4.01Å; I48-L85 HydrophobicContact CG1-CD2 4.27Å; I48-L85 HydrophobicContact CG2-CD2 4.29Å; I48-L85 WeakPolarHBondContact O-CA 3.06Å; L67-L85 HydrophobicContact CD1-CD2 4.12Å; I83-L85 HydrophobicContact CG2-CD2 3.68Å; I83-L85 HydrophobicContact CG2-CG 4.22Å; L85-I124 HydrophobicContact CD1-CD1 4.17Å; L85-V131 HydrophobicContact CD1-CG1 3.76Å; L85-V131 HydrophobicContact CG-CG1 3.7Å; L85-I132 PolarHBondContact N-O 3.01Å; L85-M134 PolarHBondContact O-N 2.99Å; L85-L146 HydrophobicContact CD1-CD1 4.06Å; L85-L146 HydrophobicContact CD1-CG 4.47Å
86	S	98.9	Very high	96.6	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	-178.7	178.7	62.7	0	0	0	0	110.5	I48 I49 L50	I48-S86 PolarHBondContact O-N 2.99Å; I49-S86 CarbonylContact C-O 3.51Å; I49-S86 WeakPolarHBondContact CA-O 3.25Å; L50-S86 PolarHBondContact N-O 2.64Å
87	A	98.9	Very high	97	Very high	25 Å²	25	30.9 Å²	30.9	21%	0.207	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149	-177	0	0	0	0	0	111.8	L50 F92	L50-A87 HydrophobicContact CB-CB 4.04Å; A87-F92 HydrophobicContact CB-CD2 3.95Å; A87-F92 HydrophobicContact CB-CG 4.46Å; A87-F92 VanDerWaalsContact CB-O 3.29Å; A87-F92 WeakPolarHBondContact CB-O 3.35Å
88	K	98.4	Very high	97.5	Very high	81 Å²	81	34 Å²	34	35%	0.352	19%	0.194	S	C	.	.	S	Bend	trans	-82.5	142.9	168.5	-69.7	-156.7	-167.1	157.1	0	111.2	L38 I49 L50 N51 P53 N57	L38-K88 VanDerWaalsContact CD1-CE 3.47Å; I49-K88 HydrophobicContact CG2-CG 3.83Å; L50-K88 PolarHBondContact O-N 3.27Å; N51-K88 WeakPolarHBondContact OD1-CD 3.43Å; N51-K88 WeakPolarHBondContact OD1-CE 3.4Å; N51-K88 PolarHBondContact OD1-NZ 2.74Å; P53-K88 HydrophobicContact CG-CB 4.39Å; N57-K88 PolarHBondContact ND2-O 2.89Å
89	G	97.6	Very high	98.2	Very high	41 Å²	41	35.9 Å²	35.9	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	84.1	-174.8	175.6	0	0	0	0	0	113.6	V91	G89-V91 VanDerWaalsContact C-N 3.27Å; G89-V91 PolarHBondContact O-N 3.31Å
90	P	97.9	Very high	98.4	Very high	98 Å²	98	31.4 Å²	31.4	64%	0.636	18%	0.175	S	C	*	.	S	Bend	trans	-81.8	-0.4	-168.8	33.2	-36.9	0	0	0	114.6	G137 V138	P90-G137 WeakPolarHBondContact O-CA 3.26Å; P90-V138 PolarHBondContact O-N 2.82Å
91	V	98.8	Very high	98.4	Very high	22 Å²	22	32.9 Å²	32.9	13%	0.133	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120	-179.2	-178.7	0	0	0	0	107.5	R56 N57 G89 V138	R56-V91 HydrophobicContact CB-CB 4.1Å; R56-V91 HydrophobicContact CB-CG1 3.97Å; R56-V91 HydrophobicContact CB-CG2 4.24Å; R56-V91 HydrophobicContact CG-CG2 4.21Å; N57-V91 PolarHBondContact ND2-O 3.01Å; G89-V91 VanDerWaalsContact C-N 3.27Å; G89-V91 PolarHBondContact O-N 3.31Å; V91-V138 CarbonylContact C-O 3.52Å; V91-V138 HydrophobicContact CG1-CB 4.29Å; V91-V138 WeakPolarHBondContact CG1-O 3.41Å; V91-V138 HydrophobicContact CG2-CB 4.41Å
92	F	98.9	Very high	98.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-56.8	173.2	176.7	-97.9	0	0	0	110.1	N57 A87 V135 V138 A139 L146 V147	N57-F92 WeakPolarHBondContact CB-O 3.44Å; A87-F92 HydrophobicContact CB-CD2 3.95Å; A87-F92 HydrophobicContact CB-CG 4.46Å; A87-F92 VanDerWaalsContact CB-O 3.29Å; A87-F92 WeakPolarHBondContact CB-O 3.35Å; F92-V135 HydrophobicContact CB-CG1 3.93Å; F92-V135 HydrophobicContact CD2-CB 4.49Å; F92-V135 HydrophobicContact CD2-CG1 4.42Å; F92-V135 HydrophobicContact CD2-CG2 4.21Å; F92-V135 HydrophobicContact CE2-CG2 4.32Å; F92-V135 HydrophobicContact CG-CG1 4.14Å; F92-V135 HydrophobicContact CG-CG2 4.41Å; F92-V138 WeakPolarHBondContact CB-O 3.38Å; F92-V138 PolarHBondContact N-O 3.34Å; F92-A139 HydrophobicContact CB-CB 4.29Å; F92-A139 HydrophobicContact CD1-CB 4.05Å; F92-L146 HydrophobicContact CE1-CB 4.39Å; F92-L146 HydrophobicContact CE1-CD2 3.96Å; F92-L146 HydrophobicContact CE1-CG 4.27Å; F92-L146 HydrophobicContact CZ-CD2 4.11Å; F92-L146 HydrophobicContact CZ-CG 4.46Å; F92-V147 HydrophobicContact CD1-CG2 3.88Å; F92-V147 HydrophobicContact CE1-CG2 3.58Å; F92-V147 HydrophobicContact CZ-CG2 4.19Å
93	S	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	139.1	166.8	177.6	0	0	0	0	110.9	N57 G95 V138 A139 T140	N57-S93 WeakPolarHBondContact O-CB 3.44Å; N57-S93 PolarHBondContact O-OG 3.25Å; S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact OG-N 3.35Å; S93-V138 PolarHBondContact N-O 3.49Å; S93-A139 WeakPolarHBondContact O-CA 3.4Å; S93-T140 PolarHBondContact O-N 2.87Å
94	S	98.8	Very high	98.2	Very high	34 Å²	34	45.6 Å²	45.6	24%	0.238	27%	0.268	C	S	.	.			trans	-80.6	-2.8	173.9	58.5	0	0	0	0	114.5	R56 T140	R56-S94 PolarHBondContact O-N 3.18Å; R56-S94 PolarHBondContact O-OG 3.4Å; S94-T140 CarbonylContact C-O 3.59Å; S94-T140 VanDerWaalsContact C-O 3.3Å; S94-T140 VanDerWaalsContact CA-OG1 3.31Å; S94-T140 WeakPolarHBondContact CA-OG1 3.43Å; S94-T140 PolarHBondContact O-OG1 3.46Å
95	G	98.7	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.286	C	S	.	.			trans	87.7	-155.3	-168.5	0	0	0	0	0	112.1	A58 L59 S93 T140	A58-G95 CarbonylContact C-O 3.46Å; A58-G95 WeakPolarHBondContact CA-O 3.23Å; L59-G95 PolarHBondContact N-O 2.98Å; S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact OG-N 3.35Å; G95-T140 PolarHBondContact N-O 3.26Å
96	H	98.8	Very high	98.1	Very high	23 Å²	23	50.6 Å²	50.6	11%	0.106	30%	0.299	C	S	.	.	S	Bend	trans	-59.7	149.5	-175.2	-65.9	-62.9	0	0	0	113.9	L59 L98 L101 F114 C117	L59-H96 PolarHBondContact O-ND1 2.71Å; H96-L98 PolarHBondContact O-N 3.4Å; H96-L101 HydrophobicContact CB-CD1 3.81Å; H96-F114 AromaticContact CD2-CE1 3.64Å; H96-F114 AromaticContact NE2-CD1 3.56Å; H96-F114 AromaticContact NE2-CE1 3.54Å; H96-C117 VanDerWaalsContact CE1-SG 3.59Å
97	D	98.4	Very high	98.1	Very high	18 Å²	18	60.6 Å²	60.6	10%	0.096	34%	0.336	C	S	.	.			trans	-70.6	107.3	167	-170.3	-18.1	0	0	0	108.3	K55 A58 K99 E100	K55-D97 IonicContact NZ-OD2 2.88Å; K55-D97 PolarHBondContact NZ-OD2 3.04Å; A58-D97 HydrophobicContact CB-CB 4.1Å; D97-K99 PolarHBondContact O-N 3.45Å; D97-K99 WeakPolarHBondContact OD1-CB 3.19Å; D97-K99 WeakPolarHBondContact OD1-CG 3.23Å; D97-K99 PolarHBondContact OD1-N 3.41Å; D97-K99 VanDerWaalsContact OD1-N 3.1Å; D97-E100 HydrophobicContact CB-CG 4.47Å; D97-E100 WeakPolarHBondContact O-CB 3.31Å; D97-E100 PolarHBondContact O-N 2.88Å
98	L	97.6	Very high	98.1	Very high	96 Å²	96	67.6 Å²	67.6	50%	0.503	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.9	-177.4	-65	-178.3	0	0	0	113.2	H96 E100 L101 V168	H96-L98 PolarHBondContact O-N 3.4Å; L98-E100 PolarHBondContact O-N 3.24Å; L98-L101 HydrophobicContact CD2-CD1 4.27Å; L98-L101 PolarHBondContact O-N 3.38Å; L98-L101 VanDerWaalsContact O-N 3.13Å; L98-V168 HydrophobicContact CD1-CG1 4.46Å
99	K	97.6	Very high	98.1	Very high	156 Å²	156	66.7 Å²	66.7	68%	0.678	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-64.1	-28.5	174.1	-62.3	-179	178.5	-175	0	112.1	D97 L101 T102	D97-K99 PolarHBondContact O-N 3.45Å; D97-K99 WeakPolarHBondContact OD1-CB 3.19Å; D97-K99 WeakPolarHBondContact OD1-CG 3.23Å; D97-K99 PolarHBondContact OD1-N 3.41Å; D97-K99 VanDerWaalsContact OD1-N 3.1Å; K99-L101 VanDerWaalsContact C-N 3.31Å; K99-T102 PolarHBondContact O-OG1 2.8Å
100	E	97.9	Very high	98.1	Very high	27 Å²	27	66.7 Å²	66.7	13%	0.126	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-81.2	-8.7	177.1	-77.7	-177.8	-176.3	0	0	113.5	S60 L61 D97 L98 Q105 Y109 H110	S60-E100 VanDerWaalsContact CA-OE2 3.23Å; S60-E100 WeakPolarHBondContact CA-OE2 3.29Å; S60-E100 VanDerWaalsContact CB-OE1 3.31Å; S60-E100 WeakPolarHBondContact CB-OE1 3.45Å; L61-E100 PolarHBondContact N-OE2 3.02Å; D97-E100 HydrophobicContact CB-CG 4.47Å; D97-E100 WeakPolarHBondContact O-CB 3.31Å; D97-E100 PolarHBondContact O-N 2.88Å; L98-E100 PolarHBondContact O-N 3.24Å; E100-Q105 WeakPolarHBondContact O-CG 3.48Å; E100-Y109 HydrophobicContact CB-CE1 3.86Å; E100-Y109 VanDerWaalsContact CD-OH 3.31Å; E100-Y109 HydrophobicContact CG-CE1 4.04Å; E100-Y109 PolarHBondContact OE1-OH 3.25Å; E100-H110 PolarHBondContact O-CD2 3.39Å
101	L	97.8	Very high	98.1	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.168	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-110.3	15	-177	-58.3	-176.1	0	0	0	113.2	H96 L98 K99 V113 F114 L170	H96-L101 HydrophobicContact CB-CD1 3.81Å; L98-L101 HydrophobicContact CD2-CD1 4.27Å; L98-L101 PolarHBondContact O-N 3.38Å; L98-L101 VanDerWaalsContact O-N 3.13Å; K99-L101 VanDerWaalsContact C-N 3.31Å; L101-V113 HydrophobicContact CD2-CB 4.47Å; L101-V113 HydrophobicContact CD2-CG1 4.13Å; L101-F114 HydrophobicContact CD1-CE1 4.47Å; L101-F114 HydrophobicContact CD1-CZ 3.99Å; L101-F114 HydrophobicContact CD2-CE2 4.15Å; L101-F114 HydrophobicContact CD2-CZ 3.96Å; L101-L170 HydrophobicContact CD1-CD2 3.78Å
102	T	97.7	Very high	98.1	Very high	58 Å²	58	68.1 Å²	68.1	36%	0.356	35%	0.347	S	S	.	.	S	Bend	trans	-76.7	158.5	176.3	59	0	0	0	0	111.5	K99 T104 Q105 H110	K99-T102 PolarHBondContact O-OG1 2.8Å; T102-T104 PolarHBondContact O-N 3.29Å; T102-T104 PolarHBondContact OG1-OG1 2.95Å; T102-T104 VanDerWaalsContact OG1-OG1 3.06Å; T102-Q105 PolarHBondContact O-N 3.47Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; T102-H110 PolarHBondContact O-CE1 3.26Å; T102-H110 VanDerWaalsContact O-CE1 3.27Å; T102-H110 PolarHBondContact O-NE2 2.91Å
103	S	96.6	Very high	98.1	Very high	114 Å²	114	68 Å²	68	80%	0.797	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.3	-28.7	179.8	53.9	0	0	0	0	113.5	Q105 G106	S103-Q105 VanDerWaalsContact C-N 3.26Å; S103-Q105 PolarHBondContact O-N 3.08Å; S103-G106 PolarHBondContact O-N 3.46Å
104	T	96.9	Very high	98.1	Very high	119 Å²	119	70.8 Å²	70.8	73%	0.73	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.4	-23.6	179.9	54.9	0	0	0	0	113.5	T102	T102-T104 PolarHBondContact O-N 3.29Å; T102-T104 PolarHBondContact OG1-OG1 2.95Å; T102-T104 VanDerWaalsContact OG1-OG1 3.06Å
105	Q	97.4	Very high	98.1	Very high	81 Å²	81	74.5 Å²	74.5	38%	0.379	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-75.4	-26.6	177.7	-64.6	-66.1	106.9	0	0	112.5	E100 T102 S103 Y109	E100-Q105 WeakPolarHBondContact O-CG 3.48Å; T102-Q105 PolarHBondContact O-N 3.47Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; S103-Q105 VanDerWaalsContact C-N 3.26Å; S103-Q105 PolarHBondContact O-N 3.08Å; Q105-Y109 HydrophobicContact CB-CD1 3.77Å; Q105-Y109 HydrophobicContact CB-CE1 4.49Å; Q105-Y109 HydrophobicContact CB-CG 4.27Å; Q105-Y109 HydrophobicContact CG-CD1 4.21Å; Q105-Y109 HydrophobicContact CG-CE1 4.46Å; Q105-Y109 VanDerWaalsContact NE2-CE1 3.31Å; Q105-Y109 VanDerWaalsContact O-CB 3.32Å; Q105-Y109 WeakPolarHBondContact O-CB 3.44Å
106	G	97.8	Very high	98.1	Very high	29 Å²	29	74.8 Å²	74.8	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	80.3	157.5	179.7	0	0	0	0	0	114.9	S103 E108 Y109 H110	S103-G106 PolarHBondContact O-N 3.46Å; G106-E108 VanDerWaalsContact C-N 3.33Å; G106-E108 PolarHBondContact O-N 3.1Å; G106-Y109 PolarHBondContact O-N 3.39Å; G106-H110 PolarHBondContact O-CD2 3.4Å; G106-H110 PolarHBondContact O-N 3.48Å; G106-H110 VanDerWaalsContact O-N 3.16Å
107	R	98.2	Very high	98.1	Very high	215 Å²	215	73.7 Å²	73.7	81%	0.811	37%	0.37	S	S	*	.	H	α-helix	trans	-61.7	-36.1	-173.4	-179.4	179	170.4	121.1	-1.5	113.7	H110 T111	R107-H110 PolarHBondContact O-N 3.06Å; R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.21Å; R107-T111 PolarHBondContact O-OG1 3.13Å
108	E	98.4	Very high	98.1	Very high	173 Å²	173	75 Å²	75	81%	0.808	38%	0.38	S	S	*	.	H	α-helix	trans	-63.2	-45.3	179.1	-174.8	179	179.8	0	0	111.1	G106 T111 K112	G106-E108 VanDerWaalsContact C-N 3.33Å; G106-E108 PolarHBondContact O-N 3.1Å; E108-T111 WeakPolarHBondContact O-CB 3.3Å; E108-T111 PolarHBondContact O-N 3.41Å; E108-K112 PolarHBondContact O-N 2.9Å
109	Y	98.6	Very high	98.2	Very high	61 Å²	61	74.4 Å²	74.4	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-44.3	176.3	-172.8	-93.6	0	0	0	111.9	L61 E100 Q105 G106 T111 K112 V113	L61-Y109 HydrophobicContact CD2-CE2 3.72Å; E100-Y109 HydrophobicContact CB-CE1 3.86Å; E100-Y109 VanDerWaalsContact CD-OH 3.31Å; E100-Y109 HydrophobicContact CG-CE1 4.04Å; E100-Y109 PolarHBondContact OE1-OH 3.25Å; Q105-Y109 HydrophobicContact CB-CD1 3.77Å; Q105-Y109 HydrophobicContact CB-CE1 4.49Å; Q105-Y109 HydrophobicContact CB-CG 4.27Å; Q105-Y109 HydrophobicContact CG-CD1 4.21Å; Q105-Y109 HydrophobicContact CG-CE1 4.46Å; Q105-Y109 VanDerWaalsContact NE2-CE1 3.31Å; Q105-Y109 VanDerWaalsContact O-CB 3.32Å; Q105-Y109 WeakPolarHBondContact O-CB 3.44Å; G106-Y109 PolarHBondContact O-N 3.39Å; Y109-T111 VanDerWaalsContact C-N 3.27Å; Y109-T111 PolarHBondContact O-N 2.88Å; Y109-K112 WeakPolarHBondContact O-CB 3.42Å; Y109-K112 PolarHBondContact O-N 3.21Å; Y109-K112 VanDerWaalsContact O-N 3.17Å; Y109-V113 HydrophobicContact CD1-CG2 3.98Å; Y109-V113 HydrophobicContact CE1-CG2 3.63Å; Y109-V113 WeakPolarHBondContact O-CG2 3.46Å; Y109-V113 PolarHBondContact O-N 3.21Å
110	H	98.6	Very high	98.2	Very high	42 Å²	42	67 Å²	67	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-41.2	174.5	-58.5	163	0	0	0	111.8	E100 T102 G106 R107 K112 V113 F114	E100-H110 PolarHBondContact O-CD2 3.39Å; T102-H110 PolarHBondContact O-CE1 3.26Å; T102-H110 VanDerWaalsContact O-CE1 3.27Å; T102-H110 PolarHBondContact O-NE2 2.91Å; G106-H110 PolarHBondContact O-CD2 3.4Å; G106-H110 PolarHBondContact O-N 3.48Å; G106-H110 VanDerWaalsContact O-N 3.16Å; R107-H110 PolarHBondContact O-N 3.06Å; H110-K112 VanDerWaalsContact C-N 3.35Å; H110-K112 PolarHBondContact O-N 3.01Å; H110-V113 PolarHBondContact O-N 3.47Å; H110-F114 HydrophobicContact CB-CE2 4.37Å; H110-F114 WeakPolarHBondContact O-CD2 3.43Å; H110-F114 PolarHBondContact O-N 2.98Å
111	T	98.6	Very high	98.3	Very high	57 Å²	57	66 Å²	66	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-47	176.7	-57.9	0	0	0	0	110.3	R107 E108 Y109 V113 F114 Q115	R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.21Å; R107-T111 PolarHBondContact O-OG1 3.13Å; E108-T111 WeakPolarHBondContact O-CB 3.3Å; E108-T111 PolarHBondContact O-N 3.41Å; Y109-T111 VanDerWaalsContact C-N 3.27Å; Y109-T111 PolarHBondContact O-N 2.88Å; T111-V113 PolarHBondContact O-N 3.37Å; T111-F114 PolarHBondContact O-N 2.99Å; T111-Q115 HydrophobicContact CG2-CG 4.24Å; T111-Q115 VanDerWaalsContact O-CB 3.32Å; T111-Q115 WeakPolarHBondContact O-CB 3.42Å; T111-Q115 VanDerWaalsContact O-CG 3.3Å; T111-Q115 WeakPolarHBondContact O-CG 3.47Å; T111-Q115 PolarHBondContact O-N 3.01Å
112	K	98.7	Very high	98.3	Very high	93 Å²	93	67.9 Å²	67.9	40%	0.404	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-48.4	175.2	-172.3	-179.1	176.9	-162.1	0	111.6	L61 E65 E108 Y109 H110 F114 Q115 T116	L61-K112 HydrophobicContact CD1-CD 4.39Å; L61-K112 HydrophobicContact CD1-CG 4.18Å; L61-K112 HydrophobicContact CD2-CD 3.82Å; L61-K112 HydrophobicContact CD2-CG 4.32Å; E65-K112 WeakPolarHBondContact OE1-CE 3.39Å; E65-K112 IonicContact OE1-NZ 2.82Å; E65-K112 PolarHBondContact OE1-NZ 3.21Å; E108-K112 PolarHBondContact O-N 2.9Å; Y109-K112 WeakPolarHBondContact O-CB 3.42Å; Y109-K112 PolarHBondContact O-N 3.21Å; Y109-K112 VanDerWaalsContact O-N 3.17Å; H110-K112 VanDerWaalsContact C-N 3.35Å; H110-K112 PolarHBondContact O-N 3.01Å; K112-F114 PolarHBondContact O-N 3.01Å; K112-Q115 PolarHBondContact O-N 3.47Å; K112-T116 WeakPolarHBondContact O-CB 3.35Å; K112-T116 PolarHBondContact O-N 3.25Å; K112-T116 PolarHBondContact O-OG1 2.94Å
113	V	98.8	Very high	98.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-55.7	-49.7	179.1	172.7	0	0	0	0	111.6	L61 L101 Y109 H110 T111 C117	L61-V113 HydrophobicContact CB-CG2 4.21Å; L101-V113 HydrophobicContact CD2-CB 4.47Å; L101-V113 HydrophobicContact CD2-CG1 4.13Å; Y109-V113 HydrophobicContact CD1-CG2 3.98Å; Y109-V113 HydrophobicContact CE1-CG2 3.63Å; Y109-V113 WeakPolarHBondContact O-CG2 3.46Å; Y109-V113 PolarHBondContact O-N 3.21Å; H110-V113 PolarHBondContact O-N 3.47Å; T111-V113 PolarHBondContact O-N 3.37Å; V113-C117 WeakPolarHBondContact O-CB 3.25Å; V113-C117 PolarHBondContact O-N 3.1Å
114	F	98.7	Very high	98.3	Very high	58 Å²	58	61.2 Å²	61.2	25%	0.254	30%	0.304	S	S	.	.	H	α-helix	trans	-73.4	-33.1	-177.9	-66.9	-59.4	0	0	0	113.2	H96 L101 H110 T111 K112 S118 L170	H96-F114 AromaticContact CD2-CE1 3.64Å; H96-F114 AromaticContact NE2-CD1 3.56Å; H96-F114 AromaticContact NE2-CE1 3.54Å; L101-F114 HydrophobicContact CD1-CE1 4.47Å; L101-F114 HydrophobicContact CD1-CZ 3.99Å; L101-F114 HydrophobicContact CD2-CE2 4.15Å; L101-F114 HydrophobicContact CD2-CZ 3.96Å; H110-F114 HydrophobicContact CB-CE2 4.37Å; H110-F114 WeakPolarHBondContact O-CD2 3.43Å; H110-F114 PolarHBondContact O-N 2.98Å; T111-F114 PolarHBondContact O-N 2.99Å; K112-F114 PolarHBondContact O-N 3.01Å; F114-S118 WeakPolarHBondContact O-CB 3.32Å; F114-S118 PolarHBondContact O-N 3.13Å; F114-S118 PolarHBondContact O-OG 3.43Å; F114-L170 HydrophobicContact CZ-CD2 4.33Å
115	Q	98.7	Very high	98.2	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-50.4	174.3	-77.3	176.4	-18.9	0	0	111.1	T111 K112 C117 S118 E119	T111-Q115 HydrophobicContact CG2-CG 4.24Å; T111-Q115 VanDerWaalsContact O-CB 3.32Å; T111-Q115 WeakPolarHBondContact O-CB 3.42Å; T111-Q115 VanDerWaalsContact O-CG 3.3Å; T111-Q115 WeakPolarHBondContact O-CG 3.47Å; T111-Q115 PolarHBondContact O-N 3.01Å; K112-Q115 PolarHBondContact O-N 3.47Å; Q115-C117 VanDerWaalsContact C-N 3.25Å; Q115-C117 PolarHBondContact O-N 3.19Å; Q115-S118 PolarHBondContact O-N 3.37Å; Q115-E119 WeakPolarHBondContact O-CG 3.31Å; Q115-E119 PolarHBondContact O-N 2.86Å
116	T	98.8	Very high	98.1	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-37.2	176.8	-54.2	0	0	0	0	111.6	L61 L64 E65 K112 V120	L61-T116 HydrophobicContact CD1-CG2 4.2Å; L64-T116 HydrophobicContact CB-CG2 3.91Å; E65-T116 HydrophobicContact CG-CG2 4.22Å; K112-T116 WeakPolarHBondContact O-CB 3.35Å; K112-T116 PolarHBondContact O-N 3.25Å; K112-T116 PolarHBondContact O-OG1 2.94Å; T116-V120 WeakPolarHBondContact O-CG2 3.19Å; T116-V120 PolarHBondContact O-N 3.3Å
117	C	98.8	Very high	98.1	Very high	1 Å²	1	59 Å²	59	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-48.5	172.6	-170.9	0	0	0	0	111.7	L64 H96 V113 Q115 E119 V120 M121	L64-C117 HydrophobicContact CD1-CB 3.77Å; L64-C117 HydrophobicContact CD2-CB 4.27Å; H96-C117 VanDerWaalsContact CE1-SG 3.59Å; V113-C117 WeakPolarHBondContact O-CB 3.25Å; V113-C117 PolarHBondContact O-N 3.1Å; Q115-C117 VanDerWaalsContact C-N 3.25Å; Q115-C117 PolarHBondContact O-N 3.19Å; C117-E119 VanDerWaalsContact C-N 3.33Å; C117-E119 PolarHBondContact O-N 3.22Å; C117-V120 PolarHBondContact O-N 3.09Å; C117-M121 WeakPolarHBondContact O-CG 3.32Å; C117-M121 PolarHBondContact O-N 2.98Å; C117-M121 VanDerWaalsContact O-N 3.1Å
118	S	98.8	Very high	98	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-42.1	179.2	-56.5	0	0	0	0	111.7	F114 Q115 V120 M121 T122	F114-S118 WeakPolarHBondContact O-CB 3.32Å; F114-S118 PolarHBondContact O-N 3.13Å; F114-S118 PolarHBondContact O-OG 3.43Å; Q115-S118 PolarHBondContact O-N 3.37Å; S118-V120 PolarHBondContact O-N 3.24Å; S118-M121 PolarHBondContact O-N 2.97Å; S118-T122 WeakPolarHBondContact O-CG2 3.49Å; S118-T122 PolarHBondContact O-N 3.05Å; S118-T122 PolarHBondContact O-OG1 3.39Å
119	E	98.5	Very high	98	Very high	83 Å²	83	42.2 Å²	42.2	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-45.7	174	-73.6	170.1	-161.8	0	0	112.1	R68 Q115 C117 M121 T122 L123	R68-E119 IonicContact CZ-OE2 3.97Å; R68-E119 IonicContact NH1-OE2 2.8Å; R68-E119 PolarHBondContact NH1-OE2 2.72Å; Q115-E119 WeakPolarHBondContact O-CG 3.31Å; Q115-E119 PolarHBondContact O-N 2.86Å; C117-E119 VanDerWaalsContact C-N 3.33Å; C117-E119 PolarHBondContact O-N 3.22Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.5Å; E119-T122 PolarHBondContact O-N 3.29Å; E119-T122 PolarHBondContact O-OG1 2.83Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.42Å
120	V	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-43.1	176.7	168.7	0	0	0	0	111	L64 L67 R68 I71 T116 C117 S118 I124	L64-V120 HydrophobicContact CD2-CG2 4.33Å; L67-V120 HydrophobicContact CD2-CG1 3.96Å; L67-V120 HydrophobicContact CG-CG1 4.35Å; R68-V120 HydrophobicContact CB-CG2 3.85Å; R68-V120 HydrophobicContact CG-CG2 4.35Å; I71-V120 HydrophobicContact CD1-CG1 4.36Å; T116-V120 WeakPolarHBondContact O-CG2 3.19Å; T116-V120 PolarHBondContact O-N 3.3Å; C117-V120 PolarHBondContact O-N 3.09Å; S118-V120 PolarHBondContact O-N 3.24Å; V120-I124 HydrophobicContact CG1-CD1 4.33Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 2.87Å; V120-I124 VanDerWaalsContact O-N 3.15Å
121	M	98.6	Very high	98	Very high	8 Å²	8	38 Å²	38	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-43	-179.1	-58.5	-48.1	163.8	0	0	112.8	L59 C117 S118 E119 I124 Q145 L146	L59-M121 HydrophobicContact CD1-CE 4.31Å; C117-M121 WeakPolarHBondContact O-CG 3.32Å; C117-M121 PolarHBondContact O-N 2.98Å; C117-M121 VanDerWaalsContact O-N 3.1Å; S118-M121 PolarHBondContact O-N 2.97Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.5Å; M121-I124 PolarHBondContact O-N 3.35Å; M121-Q145 HydrophobicContact CE-CB 4.46Å; M121-Q145 HydrophobicContact CE-CG 4.22Å; M121-Q145 HydrophobicContact CG-CG 3.99Å; M121-Q145 HydrophobicContact SD-CG 4.2Å; M121-L146 HydrophobicContact CE-CB 3.96Å; M121-L146 HydrophobicContact CE-CD1 4.1Å; M121-L146 HydrophobicContact SD-CB 4.2Å; M121-L146 HydrophobicContact SD-CD1 3.8Å
122	T	97.8	Very high	98	Very high	70 Å²	70	35.3 Å²	35.3	43%	0.429	18%	0.182	S	C	.	.	H	α-helix	trans	-69.8	-39.7	177.3	55.2	0	0	0	0	110.9	S118 E119 I124 Q125 D126	S118-T122 WeakPolarHBondContact O-CG2 3.49Å; S118-T122 PolarHBondContact O-N 3.05Å; S118-T122 PolarHBondContact O-OG1 3.39Å; E119-T122 PolarHBondContact O-N 3.29Å; E119-T122 PolarHBondContact O-OG1 2.83Å; T122-I124 VanDerWaalsContact C-N 3.26Å; T122-I124 PolarHBondContact O-N 3.05Å; T122-Q125 WeakPolarHBondContact O-CB 3.41Å; T122-Q125 PolarHBondContact O-N 2.89Å; T122-D126 PolarHBondContact O-N 3.33Å
123	L	97.3	Very high	98	Very high	33 Å²	33	30.9 Å²	30.9	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-53.4	-46.1	175.1	176.2	64.5	0	0	0	111	R68 I71 L72 E119 Q125 D126 L127	R68-L123 HydrophobicContact CG-CD2 4.13Å; I71-L123 HydrophobicContact CB-CD2 4.26Å; I71-L123 HydrophobicContact CG2-CD2 3.63Å; I71-L123 HydrophobicContact CG2-CG 4.07Å; L72-L123 HydrophobicContact CD1-CD2 4.25Å; L72-L123 HydrophobicContact CD2-CD1 3.59Å; L72-L123 HydrophobicContact CD2-CD2 3.72Å; L72-L123 HydrophobicContact CD2-CG 4.26Å; L72-L123 HydrophobicContact CG-CD2 3.74Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.42Å; L123-Q125 PolarHBondContact O-N 3.46Å; L123-D126 PolarHBondContact O-N 3.5Å; L123-L127 HydrophobicContact CD1-CD2 4.29Å; L123-L127 HydrophobicContact CD1-CG 4.48Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 2.95Å
124	I	98.1	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-53.2	-41.1	177.9	-72.7	165	0	0	0	111.9	I71 L85 V120 M121 T122 V131 L146 S149 K241	I71-I124 HydrophobicContact CD1-CG1 4.24Å; L85-I124 HydrophobicContact CD1-CD1 4.17Å; V120-I124 HydrophobicContact CG1-CD1 4.33Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 2.87Å; V120-I124 VanDerWaalsContact O-N 3.15Å; M121-I124 PolarHBondContact O-N 3.35Å; T122-I124 VanDerWaalsContact C-N 3.26Å; T122-I124 PolarHBondContact O-N 3.05Å; I124-V131 HydrophobicContact CG2-CB 3.85Å; I124-V131 HydrophobicContact CG2-CG1 4.18Å; I124-V131 HydrophobicContact CG2-CG2 3.92Å; I124-L146 HydrophobicContact CD1-CD1 3.49Å; I124-L146 VanDerWaalsContact CD1-CD1 3.49Å; I124-S149 WeakPolarHBondContact CG2-O 3.43Å; I124-K241 PolarHBondContact O-NZ 3.21Å
125	Q	93.7	Very high	98.1	Very high	55 Å²	55	29 Å²	29	26%	0.257	16%	0.155	S	C	.	.	H	α-helix	trans	-75.6	-31.6	179.4	-62	-178.9	-2.8	0	0	112.5	T122 L123 K241 H245	T122-Q125 WeakPolarHBondContact O-CB 3.41Å; T122-Q125 PolarHBondContact O-N 2.89Å; L123-Q125 PolarHBondContact O-N 3.46Å; Q125-K241 WeakPolarHBondContact O-CE 3.34Å; Q125-H245 PolarHBondContact O-CD2 2.97Å
126	D	96.5	Very high	98.1	Very high	122 Å²	122	25.6 Å²	25.6	65%	0.652	14%	0.141	S	C	*	.	H	α-helix	trans	-85.5	-11.1	-176.8	-64.4	-28.7	0	0	0	113.6	T122 L123	T122-D126 PolarHBondContact O-N 3.33Å; L123-D126 PolarHBondContact O-N 3.5Å
127	L	97.4	Very high	98	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	-60.1	143.6	178.5	-77.9	167.5	0	0	0	112.5	I71 V75 I83 L123 I129 V131 K241	I71-L127 HydrophobicContact CG2-CD1 3.64Å; I71-L127 HydrophobicContact CG2-CD2 4Å; I71-L127 HydrophobicContact CG2-CG 4.29Å; V75-L127 HydrophobicContact CG2-CD2 3.34Å; I83-L127 HydrophobicContact CD1-CD1 4.23Å; L123-L127 HydrophobicContact CD1-CD2 4.29Å; L123-L127 HydrophobicContact CD1-CG 4.48Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 2.95Å; L127-I129 HydrophobicContact CB-CG1 4.24Å; L127-I129 PolarHBondContact O-N 3.49Å; L127-I129 VanDerWaalsContact O-N 3.09Å; L127-V131 HydrophobicContact CD1-CG2 3.49Å; L127-V131 VanDerWaalsContact CD1-CG2 3.49Å; L127-K241 WeakPolarHBondContact O-CD 3.31Å; L127-K241 VanDerWaalsContact O-CE 3.26Å; L127-K241 WeakPolarHBondContact O-CE 3.17Å
128	P	96.4	Very high	98	Very high	33 Å²	33	27.9 Å²	27.9	21%	0.214	16%	0.156	C	C	.	.	S	Bend	trans	-72.8	0.6	174.7	32.5	-36.7	0	0	0	113.3	V75 A238	V75-P128 HydrophobicContact CG2-CG 4.33Å; P128-A238 HydrophobicContact CB-CB 3.82Å; P128-A238 WeakPolarHBondContact O-CA 3.29Å; P128-A238 WeakPolarHBondContact O-CB 3.32Å
129	I	98	Very high	98.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-131	152.5	-177.8	56.8	178.2	0	0	0	110.2	L80 R81 I83 L127 R234 K241	L80-I129 HydrophobicContact CD1-CD1 4.16Å; L80-I129 HydrophobicContact CD2-CD1 3.23Å; L80-I129 HydrophobicContact CG-CD1 3.39Å; R81-I129 WeakPolarHBondContact O-CB 3.35Å; I83-I129 HydrophobicContact CD1-CD1 3.95Å; I83-I129 HydrophobicContact CG1-CD1 3.82Å; L127-I129 HydrophobicContact CB-CG1 4.24Å; L127-I129 PolarHBondContact O-N 3.49Å; L127-I129 VanDerWaalsContact O-N 3.09Å; I129-R234 HydrophobicContact CG2-CG 4.48Å; I129-K241 PolarHBondContact O-NZ 3.04Å
130	P	98.6	Very high	98.1	Very high	15 Å²	15	23 Å²	23	10%	0.097	13%	0.13	C	C	.	.			trans	-69.4	152.1	174.8	-21.3	36.1	0	0	0	112.7	R81 V82 I83 D151 V229 V237	R81-P130 VanDerWaalsContact O-CD 3.31Å; R81-P130 WeakPolarHBondContact O-CD 3.48Å; V82-P130 WeakPolarHBondContact CA-O 3.19Å; V82-P130 HydrophobicContact CG2-CB 4.36Å; I83-P130 PolarHBondContact N-O 3.44Å; P130-D151 VanDerWaalsContact CA-OD2 3.24Å; P130-D151 WeakPolarHBondContact CA-OD2 3.42Å; P130-V229 HydrophobicContact CG-CG1 3.83Å; P130-V229 HydrophobicContact CG-CG2 4.44Å; P130-V237 HydrophobicContact CG-CG1 3.65Å
131	V	98.9	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.2	173.5	-173.6	0	0	0	0	108.9	I83 L85 I124 L127 D151 I152	I83-V131 HydrophobicContact CB-CG1 4.32Å; I83-V131 HydrophobicContact CB-CG2 4.29Å; I83-V131 HydrophobicContact CG2-CG1 4.25Å; I83-V131 CarbonylContact O-C 3.54Å; I83-V131 WeakPolarHBondContact O-CA 3.47Å; L85-V131 HydrophobicContact CD1-CG1 3.76Å; L85-V131 HydrophobicContact CG-CG1 3.7Å; I124-V131 HydrophobicContact CG2-CB 3.85Å; I124-V131 HydrophobicContact CG2-CG1 4.18Å; I124-V131 HydrophobicContact CG2-CG2 3.92Å; L127-V131 HydrophobicContact CD1-CG2 3.49Å; L127-V131 VanDerWaalsContact CD1-CG2 3.49Å; V131-D151 PolarHBondContact N-OD2 2.75Å; V131-D151 PolarHBondContact O-N 2.62Å; V131-I152 PolarHBondContact O-N 2.79Å
132	I	98.9	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.4	-177.1	-52.8	178.3	0	0	0	109	V82 I83 I84 L85 I152 I154 T222 I225 A226	V82-I132 HydrophobicContact CG2-CD1 3.62Å; V82-I132 HydrophobicContact CG2-CG1 3.84Å; I83-I132 PolarHBondContact O-N 2.96Å; I84-I132 CarbonylContact C-O 3.57Å; I84-I132 WeakPolarHBondContact CA-O 3.26Å; I84-I132 HydrophobicContact CG1-CB 4.4Å; L85-I132 PolarHBondContact N-O 3.01Å; I132-I152 CarbonylContact C-O 3.56Å; I132-I152 VanDerWaalsContact CA-O 3.29Å; I132-I152 WeakPolarHBondContact CA-O 3.36Å; I132-I152 HydrophobicContact CG1-CB 4.24Å; I132-I152 HydrophobicContact CG2-CB 4.27Å; I132-I152 HydrophobicContact CG2-CG2 4.16Å; I132-I154 HydrophobicContact CG2-CD1 3.28Å; I132-T222 HydrophobicContact CG2-CG2 4Å; I132-I225 HydrophobicContact CD1-CB 4.39Å; I132-I225 HydrophobicContact CD1-CG2 3.82Å; I132-A226 HydrophobicContact CD1-CB 4Å
133	A	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.7	168.2	0	0	0	0	0	110.6	V135 V147 C150 I152 A153 I154	A133-V135 HydrophobicContact CB-CG2 4.1Å; A133-V147 HydrophobicContact CB-CG1 4.37Å; A133-V147 HydrophobicContact CB-CG2 4.5Å; A133-C150 HydrophobicContact CB-CB 4.01Å; A133-I152 PolarHBondContact N-O 2.8Å; A133-A153 HydrophobicContact CB-CB 4.01Å; A133-A153 CarbonylContact O-C 3.3Å; A133-A153 WeakPolarHBondContact O-CA 3.34Å; A133-I154 PolarHBondContact O-N 2.83Å
134	M	98.9	Very high	98.2	Very high	18 Å²	18	18.7 Å²	18.7	9%	0.089	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	97.6	172.4	-174.7	178	75.5	0	0	109.3	I84 L85 L218 E219 T222	I84-M134 HydrophobicContact CG2-CB 3.97Å; L85-M134 PolarHBondContact O-N 2.99Å; M134-L218 HydrophobicContact CG-CD1 3.97Å; M134-L218 HydrophobicContact CG-CD2 3.66Å; M134-L218 HydrophobicContact CG-CG 3.58Å; M134-L218 HydrophobicContact SD-CD2 4.25Å; M134-L218 HydrophobicContact SD-CG 4.06Å; M134-E219 WeakPolarHBondContact CE-OE2 3.41Å; M134-T222 HydrophobicContact CB-CG2 3.92Å; M134-T222 HydrophobicContact CG-CG2 4.11Å; M134-T222 WeakPolarHBondContact CG-OG1 3.37Å; M134-T222 HydrophobicContact SD-CG2 3.97Å
135	V	98.9	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.1	-167	-173.1	0	0	0	0	111.1	F92 A133 A139 V147 I154 A155 T156 S159 F161	F92-V135 HydrophobicContact CB-CG1 3.93Å; F92-V135 HydrophobicContact CD2-CB 4.49Å; F92-V135 HydrophobicContact CD2-CG1 4.42Å; F92-V135 HydrophobicContact CD2-CG2 4.21Å; F92-V135 HydrophobicContact CE2-CG2 4.32Å; F92-V135 HydrophobicContact CG-CG1 4.14Å; F92-V135 HydrophobicContact CG-CG2 4.41Å; A133-V135 HydrophobicContact CB-CG2 4.1Å; V135-A139 HydrophobicContact CG1-CB 4.46Å; V135-V147 HydrophobicContact CG2-CG1 4.17Å; V135-V147 HydrophobicContact CG2-CG2 3.62Å; V135-I154 PolarHBondContact N-O 2.6Å; V135-A155 HydrophobicContact CB-CB 4.09Å; V135-A155 VanDerWaalsContact O-CA 3.25Å; V135-A155 WeakPolarHBondContact O-CA 3.43Å; V135-T156 PolarHBondContact O-N 3.19Å; V135-S159 PolarHBondContact O-OG 3.42Å; V135-F161 HydrophobicContact CB-CZ 4.41Å; V135-F161 HydrophobicContact CG1-CE1 3.97Å; V135-F161 HydrophobicContact CG1-CZ 4.01Å; V135-F161 HydrophobicContact CG2-CE1 4.41Å
136	N	98.6	Very high	98.5	Very high	42 Å²	42	16.5 Å²	16.5	23%	0.225	10%	0.097	C	C	.	.			trans	-110.4	103.7	169	-166.7	7.5	0	0	0	110.7	T156 K158 E215 L218	N136-T156 HydrophobicContact CB-CG2 4.13Å; N136-T156 WeakPolarHBondContact OD1-CG2 3.36Å; N136-T156 PolarHBondContact OD1-OG1 2.95Å; N136-T156 VanDerWaalsContact OD1-OG1 3.09Å; N136-K158 WeakPolarHBondContact OD1-CE 3.31Å; N136-E215 PolarHBondContact ND2-OE1 2.97Å; N136-L218 HydrophobicContact CB-CD2 3.73Å
137	G	98.4	Very high	98.6	Very high	5 Å²	5	10.7 Å²	10.7	5%	0.052	7%	0.066	C	C	.	.	S	Bend	trans	98.6	-141.9	179.3	0	0	0	0	0	113.9	P90 S159 T160	P90-G137 WeakPolarHBondContact O-CA 3.26Å; G137-S159 PolarHBondContact N-OG 2.98Å; G137-S159 WeakPolarHBondContact O-CA 3.2Å; G137-S159 VanDerWaalsContact O-CB 3.23Å; G137-S159 WeakPolarHBondContact O-CB 3.49Å; G137-S159 PolarHBondContact O-OG 3.42Å; G137-T160 PolarHBondContact O-N 3.01Å
138	V	98.9	Very high	98.7	Very high	50 Å²	50	11.3 Å²	11.3	30%	0.303	7%	0.071	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.9	-163.5	-176.7	0	0	0	0	112.5	P90 V91 F92 S93 T140	P90-V138 PolarHBondContact O-N 2.82Å; V91-V138 CarbonylContact C-O 3.52Å; V91-V138 HydrophobicContact CG1-CB 4.29Å; V91-V138 WeakPolarHBondContact CG1-O 3.41Å; V91-V138 HydrophobicContact CG2-CB 4.41Å; F92-V138 WeakPolarHBondContact CB-O 3.38Å; F92-V138 PolarHBondContact N-O 3.34Å; S93-V138 PolarHBondContact N-O 3.49Å; V138-T140 HydrophobicContact CG1-CG2 3.62Å
139	A	98.9	Very high	98.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.7	168.9	0	0	0	0	0	110.6	F92 S93 V135 V147 T160 F161 A162	F92-A139 HydrophobicContact CB-CB 4.29Å; F92-A139 HydrophobicContact CD1-CB 4.05Å; S93-A139 WeakPolarHBondContact O-CA 3.4Å; V135-A139 HydrophobicContact CG1-CB 4.46Å; A139-V147 HydrophobicContact CB-CG2 4.09Å; A139-T160 PolarHBondContact N-O 3.4Å; A139-F161 HydrophobicContact CB-CD1 3.89Å; A139-F161 HydrophobicContact CB-CE1 4.09Å; A139-F161 WeakPolarHBondContact O-CA 3.49Å; A139-A162 PolarHBondContact O-N 2.93Å; A139-A162 VanDerWaalsContact O-N 3.12Å
140	T	98.8	Very high	98.8	Very high	26 Å²	26	10.5 Å²	10.5	16%	0.16	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.6	-177.1	61.2	0	0	0	0	113.7	S93 S94 G95 V138 A142 G143 C144 A162 P164	S93-T140 PolarHBondContact O-N 2.87Å; S94-T140 CarbonylContact C-O 3.59Å; S94-T140 VanDerWaalsContact C-O 3.3Å; S94-T140 VanDerWaalsContact CA-OG1 3.31Å; S94-T140 WeakPolarHBondContact CA-OG1 3.43Å; S94-T140 PolarHBondContact O-OG1 3.46Å; G95-T140 PolarHBondContact N-O 3.26Å; V138-T140 HydrophobicContact CG1-CG2 3.62Å; T140-A142 PolarHBondContact O-N 3.38Å; T140-G143 WeakPolarHBondContact O-CA 3.49Å; T140-G143 PolarHBondContact O-N 3.04Å; T140-C144 PolarHBondContact O-N 3.27Å; T140-A162 CarbonylContact C-O 3.5Å; T140-A162 VanDerWaalsContact CA-O 3.26Å; T140-A162 WeakPolarHBondContact CA-O 3.31Å; T140-A162 HydrophobicContact CG2-CB 3.93Å; T140-P164 HydrophobicContact CG2-CG 4.25Å
141	A	98.7	Very high	98.9	Very high	18 Å²	18	12.3 Å²	12.3	15%	0.149	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-121.3	176.4	0	0	0	0	0	111.2	G143 C144 Q145 A162	A141-G143 PolarHBondContact O-N 3.47Å; A141-C144 WeakPolarHBondContact O-CB 3.38Å; A141-C144 PolarHBondContact O-N 3.26Å; A141-Q145 PolarHBondContact O-N 2.92Å; A141-A162 PolarHBondContact N-O 2.99Å
142	A	98.9	Very high	98.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-19.3	177.3	0	0	0	0	0	113.6	L59 T140 Q145 L146	L59-A142 HydrophobicContact CD1-CB 3.86Å; L59-A142 WeakPolarHBondContact CD1-O 3.5Å; T140-A142 PolarHBondContact O-N 3.38Å; A142-Q145 WeakPolarHBondContact O-CB 3.45Å; A142-Q145 PolarHBondContact O-N 3.04Å; A142-L146 PolarHBondContact O-N 2.89Å
143	G	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-39.2	168.6	0	0	0	0	0	112.6	T140 A141 L146 V147	T140-G143 WeakPolarHBondContact O-CA 3.49Å; T140-G143 PolarHBondContact O-N 3.04Å; A141-G143 PolarHBondContact O-N 3.47Å; G143-L146 PolarHBondContact O-N 3.01Å; G143-V147 PolarHBondContact O-N 2.82Å
144	C	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70	-35.6	171.8	-169.1	0	0	0	0	111.4	T140 A141 L146 V147 A148 I179	T140-C144 PolarHBondContact O-N 3.27Å; A141-C144 WeakPolarHBondContact O-CB 3.38Å; A141-C144 PolarHBondContact O-N 3.26Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 3.06Å; C144-V147 PolarHBondContact O-N 2.86Å; C144-A148 WeakPolarHBondContact O-CB 3.34Å; C144-A148 PolarHBondContact O-N 3.2Å; C144-I179 HydrophobicContact CB-CD1 4.31Å
145	Q	98.9	Very high	98.9	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.037	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-42.7	171.3	-173.7	-178.1	-6.3	0	0	111.6	M121 A141 A142 V147 A148 S149 T174 P175 A178	M121-Q145 HydrophobicContact CE-CB 4.46Å; M121-Q145 HydrophobicContact CE-CG 4.22Å; M121-Q145 HydrophobicContact CG-CG 3.99Å; M121-Q145 HydrophobicContact SD-CG 4.2Å; A141-Q145 PolarHBondContact O-N 2.92Å; A142-Q145 WeakPolarHBondContact O-CB 3.45Å; A142-Q145 PolarHBondContact O-N 3.04Å; Q145-V147 VanDerWaalsContact C-N 3.35Å; Q145-V147 PolarHBondContact O-N 2.81Å; Q145-A148 PolarHBondContact O-N 3.23Å; Q145-S149 WeakPolarHBondContact O-CB 3.23Å; Q145-S149 PolarHBondContact O-N 3.09Å; Q145-S149 PolarHBondContact O-OG 3.48Å; Q145-T174 PolarHBondContact NE2-O 3.03Å; Q145-P175 HydrophobicContact CB-CB 3.95Å; Q145-P175 HydrophobicContact CB-CG 4.17Å; Q145-P175 HydrophobicContact CG-CB 4.49Å; Q145-A178 HydrophobicContact CG-CB 4.14Å
146	L	98.9	Very high	98.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-43.9	178.3	-176.3	58.8	0	0	0	111.5	L50 L67 L85 F92 M121 I124 A142 G143 C144 S149 C150	L50-L146 HydrophobicContact CD1-CD2 4.33Å; L67-L146 HydrophobicContact CD2-CD1 4.45Å; L67-L146 HydrophobicContact CD2-CD2 4.25Å; L85-L146 HydrophobicContact CD1-CD1 4.06Å; L85-L146 HydrophobicContact CD1-CG 4.47Å; F92-L146 HydrophobicContact CE1-CB 4.39Å; F92-L146 HydrophobicContact CE1-CD2 3.96Å; F92-L146 HydrophobicContact CE1-CG 4.27Å; F92-L146 HydrophobicContact CZ-CD2 4.11Å; F92-L146 HydrophobicContact CZ-CG 4.46Å; M121-L146 HydrophobicContact CE-CB 3.96Å; M121-L146 HydrophobicContact CE-CD1 4.1Å; M121-L146 HydrophobicContact SD-CB 4.2Å; M121-L146 HydrophobicContact SD-CD1 3.8Å; I124-L146 HydrophobicContact CD1-CD1 3.49Å; I124-L146 VanDerWaalsContact CD1-CD1 3.49Å; A142-L146 PolarHBondContact O-N 2.89Å; G143-L146 PolarHBondContact O-N 3.01Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 3.06Å; L146-S149 PolarHBondContact O-N 2.96Å; L146-C150 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-SG 2.71Å
147	V	98.9	Very high	98.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-51.3	175.3	177.4	0	0	0	0	110.9	F92 A133 V135 A139 G143 C144 Q145 S149 C150 A153 F161 I209	F92-V147 HydrophobicContact CD1-CG2 3.88Å; F92-V147 HydrophobicContact CE1-CG2 3.58Å; F92-V147 HydrophobicContact CZ-CG2 4.19Å; A133-V147 HydrophobicContact CB-CG1 4.37Å; A133-V147 HydrophobicContact CB-CG2 4.5Å; V135-V147 HydrophobicContact CG2-CG1 4.17Å; V135-V147 HydrophobicContact CG2-CG2 3.62Å; A139-V147 HydrophobicContact CB-CG2 4.09Å; G143-V147 PolarHBondContact O-N 2.82Å; C144-V147 PolarHBondContact O-N 2.86Å; Q145-V147 VanDerWaalsContact C-N 3.35Å; Q145-V147 PolarHBondContact O-N 2.81Å; V147-S149 PolarHBondContact O-N 3.25Å; V147-C150 WeakPolarHBondContact O-CB 3.42Å; V147-C150 PolarHBondContact O-N 3.16Å; V147-C150 VanDerWaalsContact O-N 3.13Å; V147-A153 HydrophobicContact CG1-CB 3.76Å; V147-F161 HydrophobicContact CB-CE1 4.42Å; V147-F161 HydrophobicContact CG1-CE1 3.93Å; V147-F161 HydrophobicContact CG2-CE1 4.2Å; V147-I209 HydrophobicContact CG1-CG2 3.96Å
148	A	98.9	Very high	98.8	Very high	18 Å²	18	21.5 Å²	21.5	15%	0.149	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-17	-179	0	0	0	0	0	113.9	C144 Q145 A178 I179 A182 L208	C144-A148 WeakPolarHBondContact O-CB 3.34Å; C144-A148 PolarHBondContact O-N 3.2Å; Q145-A148 PolarHBondContact O-N 3.23Å; A148-A178 HydrophobicContact CB-CB 3.69Å; A148-I179 HydrophobicContact CB-CG1 4.21Å; A148-A182 HydrophobicContact CB-CB 4.43Å; A148-L208 HydrophobicContact CB-CD1 3.76Å
149	S	98.9	Very high	98.8	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-86.7	-19.3	176.5	-55.8	0	0	0	0	112.9	I124 Q145 L146 V147	I124-S149 WeakPolarHBondContact CG2-O 3.43Å; Q145-S149 WeakPolarHBondContact O-CB 3.23Å; Q145-S149 PolarHBondContact O-N 3.09Å; Q145-S149 PolarHBondContact O-OG 3.48Å; L146-S149 PolarHBondContact O-N 2.96Å; V147-S149 PolarHBondContact O-N 3.25Å
150	C	98.9	Very high	98.8	Very high	14 Å²	14	21.3 Å²	21.3	10%	0.095	11%	0.114	C	C	.	.	S	Bend	trans	-72.7	152.5	176.9	-65.5	0	0	0	0	111.5	A133 L146 V147 I152	A133-C150 HydrophobicContact CB-CB 4.01Å; L146-C150 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-SG 2.71Å; V147-C150 WeakPolarHBondContact O-CB 3.42Å; V147-C150 PolarHBondContact O-N 3.16Å; V147-C150 VanDerWaalsContact O-N 3.13Å; C150-I152 VanDerWaalsContact C-N 3.34Å
151	D	98.8	Very high	98.9	Very high	53 Å²	53	20.1 Å²	20.1	28%	0.283	11%	0.107	S	C	.	.	S	Bend	trans	-69.3	-34.9	-179.2	-54.6	-72.4	0	0	0	112	P130 V131 K241 H245	P130-D151 VanDerWaalsContact CA-OD2 3.24Å; P130-D151 WeakPolarHBondContact CA-OD2 3.42Å; V131-D151 PolarHBondContact N-OD2 2.75Å; V131-D151 PolarHBondContact O-N 2.62Å; D151-K241 WeakPolarHBondContact OD1-CE 3.27Å; D151-K241 IonicContact OD1-NZ 3.7Å; D151-K241 PolarHBondContact OD1-NZ 2.63Å; D151-K241 IonicContact OD2-NZ 3.55Å; D151-K241 PolarHBondContact OD2-NZ 3.13Å; D151-H245 IonicContact OD1-NE2 2.73Å
152	I	98.9	Very high	98.9	Very high	40 Å²	40	19.5 Å²	19.5	21%	0.205	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143	-180	-59.3	175.4	0	0	0	108.1	V131 I132 A133 C150 I154 I225	V131-I152 PolarHBondContact O-N 2.79Å; I132-I152 CarbonylContact C-O 3.56Å; I132-I152 VanDerWaalsContact CA-O 3.29Å; I132-I152 WeakPolarHBondContact CA-O 3.36Å; I132-I152 HydrophobicContact CG1-CB 4.24Å; I132-I152 HydrophobicContact CG2-CB 4.27Å; I132-I152 HydrophobicContact CG2-CG2 4.16Å; A133-I152 PolarHBondContact N-O 2.8Å; C150-I152 VanDerWaalsContact C-N 3.34Å; I152-I154 HydrophobicContact CG2-CD1 4Å; I152-I225 HydrophobicContact CD1-CG2 3.75Å; I152-I225 HydrophobicContact CG2-CD1 4.48Å; I152-I225 HydrophobicContact CG2-CG2 4.46Å
153	A	98.9	Very high	98.9	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.025	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130	172.2	0	0	0	0	0	111.6	A133 V147 I209 S210 K211	A133-A153 HydrophobicContact CB-CB 4.01Å; A133-A153 CarbonylContact O-C 3.3Å; A133-A153 WeakPolarHBondContact O-CA 3.34Å; V147-A153 HydrophobicContact CG1-CB 3.76Å; A153-I209 HydrophobicContact CB-CB 3.95Å; A153-I209 HydrophobicContact CB-CG2 3.73Å; A153-S210 PolarHBondContact N-OG 3.22Å; A153-S210 WeakPolarHBondContact O-CA 3.46Å; A153-S210 WeakPolarHBondContact O-CB 3.33Å; A153-S210 PolarHBondContact O-N 3.25Å; A153-K211 PolarHBondContact O-N 3.48Å
154	I	98.9	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.1	172.5	-52.3	95.5	0	0	0	107.7	I132 A133 V135 I152 K211 V213 L218 T222 I225	I132-I154 HydrophobicContact CG2-CD1 3.28Å; A133-I154 PolarHBondContact O-N 2.83Å; V135-I154 PolarHBondContact N-O 2.6Å; I152-I154 HydrophobicContact CG2-CD1 4Å; I154-K211 WeakPolarHBondContact CA-O 3.37Å; I154-K211 HydrophobicContact CG1-CB 4.32Å; I154-K211 HydrophobicContact CG2-CB 4.22Å; I154-V213 HydrophobicContact CG2-CG2 3.97Å; I154-L218 HydrophobicContact CB-CD1 4.37Å; I154-L218 HydrophobicContact CG2-CD1 3.83Å; I154-T222 HydrophobicContact CD1-CG2 4.15Å; I154-I225 HydrophobicContact CD1-CD1 3.73Å; I154-I225 HydrophobicContact CG1-CD1 3.77Å
155	A	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155	179.9	0	0	0	0	0	112.7	V135 F161 A200 I209 K211 V212 V213	V135-A155 HydrophobicContact CB-CB 4.09Å; V135-A155 VanDerWaalsContact O-CA 3.25Å; V135-A155 WeakPolarHBondContact O-CA 3.43Å; A155-F161 HydrophobicContact CB-CE2 4.32Å; A155-F161 HydrophobicContact CB-CZ 3.9Å; A155-A200 HydrophobicContact CB-CB 4.48Å; A155-I209 HydrophobicContact CB-CD1 3.58Å; A155-K211 PolarHBondContact N-O 2.82Å; A155-V212 VanDerWaalsContact O-CA 3.3Å; A155-V212 WeakPolarHBondContact O-CA 3.47Å; A155-V213 PolarHBondContact O-N 3.38Å
156	T	98.9	Very high	98.7	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	157.5	167.8	62.9	0	0	0	0	111.2	V135 N136 K158 S159 A200 V213 E215 L218	V135-T156 PolarHBondContact O-N 3.19Å; N136-T156 HydrophobicContact CB-CG2 4.13Å; N136-T156 WeakPolarHBondContact OD1-CG2 3.36Å; N136-T156 PolarHBondContact OD1-OG1 2.95Å; N136-T156 VanDerWaalsContact OD1-OG1 3.09Å; T156-K158 PolarHBondContact O-N 3.16Å; T156-K158 VanDerWaalsContact OG1-CG 3.29Å; T156-K158 WeakPolarHBondContact OG1-CG 3.29Å; T156-S159 PolarHBondContact N-OG 3.39Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.39Å; T156-S159 PolarHBondContact O-N 3.47Å; T156-S159 PolarHBondContact O-OG 3.46Å; T156-S159 PolarHBondContact OG1-OG 2.91Å; T156-S159 VanDerWaalsContact OG1-OG 3.04Å; T156-A200 VanDerWaalsContact O-CB 3.24Å; T156-A200 WeakPolarHBondContact O-CB 3.38Å; T156-V213 CarbonylContact C-O 3.48Å; T156-V213 VanDerWaalsContact CA-O 3.25Å; T156-V213 WeakPolarHBondContact CA-O 3.23Å; T156-E215 HydrophobicContact CG2-CB 4Å; T156-E215 HydrophobicContact CG2-CG 4.24Å; T156-L218 HydrophobicContact CG2-CB 3.99Å; T156-L218 HydrophobicContact CG2-CD1 4Å; T156-L218 HydrophobicContact CG2-CD2 3.6Å; T156-L218 HydrophobicContact CG2-CG 4.06Å
157	E	98.6	Very high	98.7	Very high	100 Å²	100	28.4 Å²	28.4	47%	0.467	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.2	176.3	-67.6	-168.6	117	0	0	113.4	S159 R201 V212 V213	E157-S159 VanDerWaalsContact C-N 3.31Å; E157-R201 IonicContact OE1-CZ 3.94Å; E157-R201 IonicContact OE1-NE 2.7Å; E157-R201 IonicContact OE1-NH2 3.68Å; E157-R201 PolarHBondContact OE1-NH2 3.15Å; E157-V212 HydrophobicContact CB-CG1 4.34Å; E157-V212 HydrophobicContact CG-CG1 3.78Å; E157-V213 PolarHBondContact N-O 3Å; E157-V213 VanDerWaalsContact N-O 3.11Å
158	K	98.3	Very high	98.6	Very high	114 Å²	114	32.7 Å²	32.7	50%	0.496	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.4	178.3	69.2	175.3	-177.9	-167.8	0	114.1	N136 T156 E215	N136-K158 WeakPolarHBondContact OD1-CE 3.31Å; T156-K158 PolarHBondContact O-N 3.16Å; T156-K158 VanDerWaalsContact OG1-CG 3.29Å; T156-K158 WeakPolarHBondContact OG1-CG 3.29Å; K158-E215 VanDerWaalsContact CE-OE2 3.27Å; K158-E215 WeakPolarHBondContact CE-OE2 3.24Å; K158-E215 IonicContact NZ-OE1 3.16Å; K158-E215 PolarHBondContact NZ-OE1 2.94Å; K158-E215 IonicContact NZ-OE2 2.64Å; K158-E215 PolarHBondContact NZ-OE2 3.32Å
159	S	98.9	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	21%	0.21	C	C	.	.			trans	-67.9	147.3	-178.6	-68.3	0	0	0	0	111.5	V135 G137 T156 E157 A200	V135-S159 PolarHBondContact O-OG 3.42Å; G137-S159 PolarHBondContact N-OG 2.98Å; G137-S159 WeakPolarHBondContact O-CA 3.2Å; G137-S159 VanDerWaalsContact O-CB 3.23Å; G137-S159 WeakPolarHBondContact O-CB 3.49Å; G137-S159 PolarHBondContact O-OG 3.42Å; T156-S159 PolarHBondContact N-OG 3.39Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.39Å; T156-S159 PolarHBondContact O-N 3.47Å; T156-S159 PolarHBondContact O-OG 3.46Å; T156-S159 PolarHBondContact OG1-OG 2.91Å; T156-S159 VanDerWaalsContact OG1-OG 3.04Å; E157-S159 VanDerWaalsContact C-N 3.31Å; S159-A200 WeakPolarHBondContact O-CB 3.11Å; S159-A200 PolarHBondContact O-N 3.01Å
160	T	98.9	Very high	98.5	Very high	45 Å²	45	38.7 Å²	38.7	28%	0.276	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.1	179.6	61.7	0	0	0	0	110.7	G137 A139 I198	G137-T160 PolarHBondContact O-N 3.01Å; A139-T160 PolarHBondContact N-O 3.4Å; T160-I198 WeakPolarHBondContact CA-O 3.48Å
161	F	98.9	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.3	-173.7	-57.6	-87.9	0	0	0	110.6	V135 A139 V147 A155 P197 I198 A200 A203 L208 I209	V135-F161 HydrophobicContact CB-CZ 4.41Å; V135-F161 HydrophobicContact CG1-CE1 3.97Å; V135-F161 HydrophobicContact CG1-CZ 4.01Å; V135-F161 HydrophobicContact CG2-CE1 4.41Å; A139-F161 HydrophobicContact CB-CD1 3.89Å; A139-F161 HydrophobicContact CB-CE1 4.09Å; A139-F161 WeakPolarHBondContact O-CA 3.49Å; V147-F161 HydrophobicContact CB-CE1 4.42Å; V147-F161 HydrophobicContact CG1-CE1 3.93Å; V147-F161 HydrophobicContact CG2-CE1 4.2Å; A155-F161 HydrophobicContact CB-CE2 4.32Å; A155-F161 HydrophobicContact CB-CZ 3.9Å; F161-P197 CarbonylContact O-C 3.59Å; F161-P197 VanDerWaalsContact O-CA 3.27Å; F161-P197 WeakPolarHBondContact O-CA 3.36Å; F161-I198 HydrophobicContact CB-CG1 3.98Å; F161-I198 PolarHBondContact N-O 2.92Å; F161-I198 PolarHBondContact O-N 3.26Å; F161-A200 HydrophobicContact CE2-CB 4.42Å; F161-A203 HydrophobicContact CD2-CB 3.53Å; F161-A203 HydrophobicContact CE2-CB 3.78Å; F161-A203 HydrophobicContact CG-CB 4.35Å; F161-L208 HydrophobicContact CB-CD2 3.67Å; F161-L208 HydrophobicContact CD1-CD2 4.07Å; F161-L208 HydrophobicContact CD2-CD2 4.36Å; F161-L208 HydrophobicContact CG-CD2 3.77Å; F161-I209 HydrophobicContact CE1-CG2 4.14Å; F161-I209 HydrophobicContact CE2-CD1 4.15Å; F161-I209 HydrophobicContact CE2-CG2 4.29Å; F161-I209 HydrophobicContact CZ-CD1 4.33Å; F161-I209 HydrophobicContact CZ-CG2 3.78Å
162	A	98.9	Very high	98.5	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.4	-176.7	0	0	0	0	0	113.6	A139 T140 A141 P164 P197	A139-A162 PolarHBondContact O-N 2.93Å; A139-A162 VanDerWaalsContact O-N 3.12Å; T140-A162 CarbonylContact C-O 3.5Å; T140-A162 VanDerWaalsContact CA-O 3.26Å; T140-A162 WeakPolarHBondContact CA-O 3.31Å; T140-A162 HydrophobicContact CG2-CB 3.93Å; A141-A162 PolarHBondContact N-O 2.99Å; A162-P164 WeakPolarHBondContact O-CD 3.23Å; A162-P197 HydrophobicContact CB-CB 4Å
163	T	98.8	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.243	C	C	.	.			trans	-121.2	65.3	169.2	44.2	0	0	0	0	111.6	G165 C172 P175 I179 M191 L192	T163-G165 PolarHBondContact O-N 3.13Å; T163-C172 HydrophobicContact CG2-CB 4.08Å; T163-P175 HydrophobicContact CG2-CB 4.1Å; T163-I179 HydrophobicContact CG2-CD1 3.18Å; T163-M191 WeakPolarHBondContact OG1-CB 3.48Å; T163-M191 PolarHBondContact OG1-O 2.93Å; T163-L192 HydrophobicContact CG2-CD2 3.97Å; T163-L192 WeakPolarHBondContact OG1-CA 3.48Å; T163-L192 PolarHBondContact OG1-N 3.42Å
164	P	98.5	Very high	98.5	Very high	35 Å²	35	43.2 Å²	43.2	23%	0.227	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-80.1	13	-168.1	36.3	-38.8	0	0	0	114.2	T140 A162 V166 N167	T140-P164 HydrophobicContact CG2-CG 4.25Å; A162-P164 WeakPolarHBondContact O-CD 3.23Å; P164-V166 PolarHBondContact O-N 3.08Å; P164-N167 VanDerWaalsContact O-CB 3.32Å; P164-N167 WeakPolarHBondContact O-CB 3.25Å; P164-N167 PolarHBondContact O-N 2.87Å
165	G	98	Very high	98.5	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.8	-174.6	0	0	0	0	0	113.5	T163 N167 V168 G169 L170 C172	T163-G165 PolarHBondContact O-N 3.13Å; G165-N167 PolarHBondContact O-N 3.42Å; G165-V168 CarbonylContact O-C 3.57Å; G165-V168 WeakPolarHBondContact O-CG2 3.44Å; G165-V168 PolarHBondContact O-N 3.16Å; G165-G169 PolarHBondContact O-N 2.83Å; G165-L170 CarbonylContact C-O 3.41Å; G165-L170 WeakPolarHBondContact CA-O 3.19Å; G165-L170 CarbonylContact O-C 3.37Å; G165-L170 PolarHBondContact O-N 2.93Å; G165-L170 VanDerWaalsContact O-O 3.04Å; G165-C172 VanDerWaalsContact CA-SG 3.6Å; G165-C172 PolarHBondContact N-SG 3.16Å; G165-C172 VanDerWaalsContact N-SG 3.38Å
166	V	98	Very high	98.5	Very high	41 Å²	41	44.6 Å²	44.6	25%	0.248	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.9	-33.4	172.8	-73.5	0	0	0	0	113.2	P164 V168 G169 F171 L192	P164-V166 PolarHBondContact O-N 3.08Å; V166-V168 PolarHBondContact O-N 3.18Å; V166-G169 PolarHBondContact O-N 3.32Å; V166-G169 VanDerWaalsContact O-N 3.15Å; V166-F171 HydrophobicContact CG1-CD2 3.43Å; V166-F171 VanDerWaalsContact CG1-CD2 3.43Å; V166-F171 HydrophobicContact CG1-CE2 3.95Å; V166-F171 HydrophobicContact CG1-CG 4.32Å; V166-L192 WeakPolarHBondContact CG1-O 3.44Å
167	N	98	Very high	98.5	Very high	114 Å²	114	48.1 Å²	48.1	61%	0.61	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-70	-13.8	179.9	-61	-22.5	0	0	0	112.9	P164 G165	P164-N167 VanDerWaalsContact O-CB 3.32Å; P164-N167 WeakPolarHBondContact O-CB 3.25Å; P164-N167 PolarHBondContact O-N 2.87Å; G165-N167 PolarHBondContact O-N 3.42Å
168	V	97.2	Very high	98.5	Very high	91 Å²	91	43.7 Å²	43.7	55%	0.552	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-117.7	14.5	176.3	-60.1	0	0	0	0	112.3	L98 G165 V166 L170	L98-V168 HydrophobicContact CD1-CG1 4.46Å; G165-V168 CarbonylContact O-C 3.57Å; G165-V168 WeakPolarHBondContact O-CG2 3.44Å; G165-V168 PolarHBondContact O-N 3.16Å; V166-V168 PolarHBondContact O-N 3.18Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 HydrophobicContact CG2-CB 4.38Å; V168-L170 PolarHBondContact O-N 3.19Å
169	G	97.8	Very high	98.5	Very high	75 Å²	75	38.2 Å²	38.2	77%	0.773	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	15.4	178.6	0	0	0	0	0	115	G165 V166	G165-G169 PolarHBondContact O-N 2.83Å; V166-G169 PolarHBondContact O-N 3.32Å; V166-G169 VanDerWaalsContact O-N 3.15Å
170	L	98.3	Very high	98.5	Very high	73 Å²	73	40.2 Å²	40.2	38%	0.382	26%	0.264	S	S	.	.			trans	-125.2	90.5	179.2	-177.1	63.4	0	0	0	110.3	L101 F114 G165 V168 C172	L101-L170 HydrophobicContact CD1-CD2 3.78Å; F114-L170 HydrophobicContact CZ-CD2 4.33Å; G165-L170 CarbonylContact C-O 3.41Å; G165-L170 WeakPolarHBondContact CA-O 3.19Å; G165-L170 CarbonylContact O-C 3.37Å; G165-L170 PolarHBondContact O-N 2.93Å; G165-L170 VanDerWaalsContact O-O 3.04Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 HydrophobicContact CG2-CB 4.38Å; V168-L170 PolarHBondContact O-N 3.19Å; L170-C172 PolarHBondContact O-N 3.22Å
171	F	98.7	Very high	98.4	Very high	83 Å²	83	47.1 Å²	47.1	36%	0.364	29%	0.285	S	S	.	.			trans	-52.8	134.7	179	-164.8	-89.5	0	0	0	111	V166 S173 L192 L193	V166-F171 HydrophobicContact CG1-CD2 3.43Å; V166-F171 VanDerWaalsContact CG1-CD2 3.43Å; V166-F171 HydrophobicContact CG1-CE2 3.95Å; V166-F171 HydrophobicContact CG1-CG 4.32Å; F171-S173 WeakPolarHBondContact CD1-OG 3.42Å; F171-S173 PolarHBondContact O-N 3.42Å; F171-L192 HydrophobicContact CE1-CB 4.36Å; F171-L192 HydrophobicContact CE1-CD2 4.31Å; F171-L192 HydrophobicContact CE2-CB 4.31Å; F171-L192 HydrophobicContact CZ-CB 3.72Å; F171-L192 HydrophobicContact CZ-CD2 4.49Å; F171-L192 HydrophobicContact CZ-CG 4.49Å; F171-L193 HydrophobicContact CE2-CD2 4.12Å
172	C	98.6	Very high	98.4	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.054	30%	0.296	C	S	.	.			trans	-75.4	56	-177.7	-74.8	0	0	0	0	112.5	T163 G165 L170 T174 P175 A176 L192	T163-C172 HydrophobicContact CG2-CB 4.08Å; G165-C172 VanDerWaalsContact CA-SG 3.6Å; G165-C172 PolarHBondContact N-SG 3.16Å; G165-C172 VanDerWaalsContact N-SG 3.38Å; L170-C172 PolarHBondContact O-N 3.22Å; C172-T174 PolarHBondContact O-N 3.37Å; C172-P175 HydrophobicContact CB-CB 3.96Å; C172-P175 HydrophobicContact CB-CG 3.79Å; C172-P175 WeakPolarHBondContact O-CD 3.5Å; C172-A176 WeakPolarHBondContact O-CB 3.19Å; C172-A176 PolarHBondContact O-N 3.12Å; C172-L192 HydrophobicContact CB-CD2 3.82Å; C172-L192 WeakPolarHBondContact O-CD2 3.43Å
173	S	98.8	Very high	98.4	Very high	73 Å²	73	48.7 Å²	48.7	51%	0.51	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-42.3	-175.7	-57.1	0	0	0	0	113.2	F171 A176	F171-S173 WeakPolarHBondContact CD1-OG 3.42Å; F171-S173 PolarHBondContact O-N 3.42Å; S173-A176 WeakPolarHBondContact O-CB 3.27Å; S173-A176 PolarHBondContact O-N 2.96Å
174	T	98.6	Very high	98.4	Very high	41 Å²	41	52 Å²	52	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-71.8	-43.6	176.1	40.3	0	0	0	0	112.3	Q145 C172 A176 V177	Q145-T174 PolarHBondContact NE2-O 3.03Å; C172-T174 PolarHBondContact O-N 3.37Å; T174-A176 PolarHBondContact O-N 3Å; T174-V177 WeakPolarHBondContact O-CB 2.83Å; T174-V177 PolarHBondContact O-N 3.34Å; T174-V177 VanDerWaalsContact O-N 3.12Å
175	P	98.9	Very high	98.4	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-55.8	-35.6	168.1	-27.6	31.7	0	0	0	114.7	Q145 T163 C172 V177 A178 I179	Q145-P175 HydrophobicContact CB-CB 3.95Å; Q145-P175 HydrophobicContact CB-CG 4.17Å; Q145-P175 HydrophobicContact CG-CB 4.49Å; T163-P175 HydrophobicContact CG2-CB 4.1Å; C172-P175 HydrophobicContact CB-CB 3.96Å; C172-P175 HydrophobicContact CB-CG 3.79Å; C172-P175 WeakPolarHBondContact O-CD 3.5Å; P175-V177 PolarHBondContact O-N 3.33Å; P175-V177 VanDerWaalsContact O-N 3.15Å; P175-A178 PolarHBondContact O-N 3.3Å; P175-I179 HydrophobicContact CB-CD1 4.04Å; P175-I179 WeakPolarHBondContact O-CB 3.29Å; P175-I179 WeakPolarHBondContact O-CG1 3.34Å; P175-I179 PolarHBondContact O-N 3.49Å
176	A	98.8	Very high	98.4	Very high	25 Å²	25	67.9 Å²	67.9	21%	0.207	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-26	178.5	0	0	0	0	0	113.2	C172 S173 T174 G180 L192	C172-A176 WeakPolarHBondContact O-CB 3.19Å; C172-A176 PolarHBondContact O-N 3.12Å; S173-A176 WeakPolarHBondContact O-CB 3.27Å; S173-A176 PolarHBondContact O-N 2.96Å; T174-A176 PolarHBondContact O-N 3Å; A176-G180 WeakPolarHBondContact O-CA 3.42Å; A176-G180 PolarHBondContact O-N 3.22Å; A176-L192 HydrophobicContact CB-CD1 3.53Å; A176-L192 HydrophobicContact CB-CD2 3.75Å; A176-L192 HydrophobicContact CB-CG 4.31Å
177	V	98.8	Very high	98.5	Very high	76 Å²	76	66.8 Å²	66.8	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-51.1	177.4	178.8	0	0	0	0	110.8	T174 P175 R181	T174-V177 WeakPolarHBondContact O-CB 2.83Å; T174-V177 PolarHBondContact O-N 3.34Å; T174-V177 VanDerWaalsContact O-N 3.12Å; P175-V177 PolarHBondContact O-N 3.33Å; P175-V177 VanDerWaalsContact O-N 3.15Å; V177-R181 VanDerWaalsContact CG1-NH1 3.28Å; V177-R181 WeakPolarHBondContact O-CD 3.02Å; V177-R181 WeakPolarHBondContact O-CG 3.43Å; V177-R181 PolarHBondContact O-NH1 2.73Å
178	A	98.7	Very high	98.5	Very high	6 Å²	6	61.6 Å²	61.6	5%	0.05	34%	0.343	C	S	.	.	H	α-helix	trans	-75.3	-45.9	-179.4	0	0	0	0	0	111	Q145 A148 P175 G180 R181 A182	Q145-A178 HydrophobicContact CG-CB 4.14Å; A148-A178 HydrophobicContact CB-CB 3.69Å; P175-A178 PolarHBondContact O-N 3.3Å; A178-G180 PolarHBondContact O-N 3.13Å; A178-R181 PolarHBondContact O-N 3.36Å; A178-R181 VanDerWaalsContact O-N 3.08Å; A178-A182 PolarHBondContact O-N 2.84Å; A178-A182 VanDerWaalsContact O-N 3.13Å
179	I	98.6	Very high	98.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-42	-177.6	-65.5	166.5	0	0	0	111.2	C144 A148 T163 P175 R181 A182 V183 A188	C144-I179 HydrophobicContact CB-CD1 4.31Å; A148-I179 HydrophobicContact CB-CG1 4.21Å; T163-I179 HydrophobicContact CG2-CD1 3.18Å; P175-I179 HydrophobicContact CB-CD1 4.04Å; P175-I179 WeakPolarHBondContact O-CB 3.29Å; P175-I179 WeakPolarHBondContact O-CG1 3.34Å; P175-I179 PolarHBondContact O-N 3.49Å; I179-R181 PolarHBondContact O-N 2.99Å; I179-R181 VanDerWaalsContact O-N 3.16Å; I179-A182 PolarHBondContact O-N 2.75Å; I179-V183 HydrophobicContact CG2-CG2 3.84Å; I179-V183 WeakPolarHBondContact O-CG2 3.42Å; I179-V183 PolarHBondContact O-N 2.72Å; I179-A188 HydrophobicContact CG2-CB 4.17Å
180	G	98.3	Very high	98.6	Very high	43 Å²	43	63.4 Å²	63.4	44%	0.443	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-13.6	177.3	0	0	0	0	0	114.5	A176 A178	A176-G180 WeakPolarHBondContact O-CA 3.42Å; A176-G180 PolarHBondContact O-N 3.22Å; A178-G180 PolarHBondContact O-N 3.13Å
181	R	98.1	Very high	98.7	Very high	189 Å²	189	60 Å²	60	71%	0.713	31%	0.308	S	S	*	.	H	α-helix	trans	-94.4	-19.2	171	-71.9	169.7	174.2	68.8	-0.7	112.8	V177 A178 I179	V177-R181 VanDerWaalsContact CG1-NH1 3.28Å; V177-R181 WeakPolarHBondContact O-CD 3.02Å; V177-R181 WeakPolarHBondContact O-CG 3.43Å; V177-R181 PolarHBondContact O-NH1 2.73Å; A178-R181 PolarHBondContact O-N 3.36Å; A178-R181 VanDerWaalsContact O-N 3.08Å; I179-R181 PolarHBondContact O-N 2.99Å; I179-R181 VanDerWaalsContact O-N 3.16Å
182	A	98.3	Very high	98.7	Very high	29 Å²	29	56.4 Å²	56.4	24%	0.24	29%	0.293	C	S	.	.	H	α-helix	trans	-93.8	-39.8	-177.3	0	0	0	0	0	112.9	A148 A178 I179 G207 L208	A148-A182 HydrophobicContact CB-CB 4.43Å; A178-A182 PolarHBondContact O-N 2.84Å; A178-A182 VanDerWaalsContact O-N 3.13Å; I179-A182 PolarHBondContact O-N 2.75Å; A182-G207 CarbonylContact O-C 3.38Å; A182-L208 HydrophobicContact CB-CD1 4.01Å
183	V	98.8	Very high	98.7	Very high	9 Å²	9	61.1 Å²	61.1	6%	0.055	32%	0.317	C	S	.	.	S	Bend	trans	-118.7	160.4	-174	-52.2	0	0	0	0	113	I179 V187 A188 H206 L208	I179-V183 HydrophobicContact CG2-CG2 3.84Å; I179-V183 WeakPolarHBondContact O-CG2 3.42Å; I179-V183 PolarHBondContact O-N 2.72Å; V183-V187 HydrophobicContact CB-CB 4.29Å; V183-V187 HydrophobicContact CB-CG1 4.19Å; V183-V187 HydrophobicContact CG2-CB 4.01Å; V183-V187 HydrophobicContact CG2-CG1 3.98Å; V183-A188 HydrophobicContact CG2-CB 3.7Å; V183-H206 WeakPolarHBondContact CA-O 3.46Å; V183-H206 HydrophobicContact CB-CB 4.22Å; V183-H206 HydrophobicContact CG1-CB 4.1Å; V183-L208 HydrophobicContact CG1-CB 3.66Å; V183-L208 HydrophobicContact CG1-CD1 4.33Å; V183-L208 HydrophobicContact CG1-CG 4.47Å
184	P	98.8	Very high	98.7	Very high	70 Å²	70	60.6 Å²	60.6	46%	0.455	31%	0.311	S	S	.	.			trans	-55.9	145.1	174.3	-25.5	34.9	0	0	0	112.3	K186 V187 A188 H206	P184-K186 PolarHBondContact O-N 3.29Å; P184-V187 HydrophobicContact CB-CG2 4.26Å; P184-V187 HydrophobicContact CG-CG2 4.36Å; P184-V187 WeakPolarHBondContact O-CB 3.38Å; P184-V187 PolarHBondContact O-N 2.78Å; P184-A188 PolarHBondContact O-N 3.09Å; P184-H206 WeakPolarHBondContact CD-O 3.37Å
185	R	98.6	Very high	98.7	Very high	205 Å²	205	58.9 Å²	58.9	77%	0.774	30%	0.301	S	S	*	.	H	α-helix	trans	-49.6	-37.9	-176.7	-176.8	178.1	178.2	-174.8	1.1	114	M189	R185-M189 HydrophobicContact CG-CG 4.36Å; R185-M189 WeakPolarHBondContact O-CB 3.31Å; R185-M189 VanDerWaalsContact O-CG 3.24Å; R185-M189 WeakPolarHBondContact O-CG 3.24Å; R185-M189 PolarHBondContact O-N 3.16Å
186	K	98.8	Very high	98.6	Very high	170 Å²	170	61.5 Å²	61.5	74%	0.739	32%	0.32	S	S	*	.	H	α-helix	trans	-70.4	-42.2	-179.5	-67	-60.2	-174.2	-175.4	0	112.4	P184 M189 E190	P184-K186 PolarHBondContact O-N 3.29Å; K186-M189 PolarHBondContact O-N 2.78Å; K186-E190 WeakPolarHBondContact O-CB 3.41Å; K186-E190 PolarHBondContact O-N 2.76Å
187	V	98.8	Very high	98.6	Very high	19 Å²	19	64.4 Å²	64.4	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-49.4	174.1	-179	0	0	0	0	109.9	V183 P184 M189 E190 M191 H206	V183-V187 HydrophobicContact CB-CB 4.29Å; V183-V187 HydrophobicContact CB-CG1 4.19Å; V183-V187 HydrophobicContact CG2-CB 4.01Å; V183-V187 HydrophobicContact CG2-CG1 3.98Å; P184-V187 HydrophobicContact CB-CG2 4.26Å; P184-V187 HydrophobicContact CG-CG2 4.36Å; P184-V187 WeakPolarHBondContact O-CB 3.38Å; P184-V187 PolarHBondContact O-N 2.78Å; V187-M189 PolarHBondContact O-N 2.82Å; V187-E190 PolarHBondContact O-N 2.92Å; V187-M191 HydrophobicContact CG1-SD 4.08Å; V187-M191 WeakPolarHBondContact O-CG 3.48Å; V187-M191 PolarHBondContact O-N 3.04Å; V187-H206 HydrophobicContact CG1-CB 4.38Å
188	A	98.8	Very high	98.6	Very high	4 Å²	4	62 Å²	62	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-49.3	178.1	0	0	0	0	0	111.9	I179 V183 P184 E190 M191 L192	I179-A188 HydrophobicContact CG2-CB 4.17Å; V183-A188 HydrophobicContact CG2-CB 3.7Å; P184-A188 PolarHBondContact O-N 3.09Å; A188-E190 PolarHBondContact O-N 3.27Å; A188-M191 PolarHBondContact O-N 2.75Å; A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 WeakPolarHBondContact O-CD1 3.14Å; A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 2.94Å
189	M	98.8	Very high	98.6	Very high	76 Å²	76	63.7 Å²	63.7	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-37.1	-178.9	-72.6	-57.7	-54	0	0	112.7	R185 K186 V187 L192 L193	R185-M189 HydrophobicContact CG-CG 4.36Å; R185-M189 WeakPolarHBondContact O-CB 3.31Å; R185-M189 VanDerWaalsContact O-CG 3.24Å; R185-M189 WeakPolarHBondContact O-CG 3.24Å; R185-M189 PolarHBondContact O-N 3.16Å; K186-M189 PolarHBondContact O-N 2.78Å; V187-M189 PolarHBondContact O-N 2.82Å; M189-L192 PolarHBondContact O-N 2.9Å; M189-L193 HydrophobicContact CB-CD1 4.41Å; M189-L193 HydrophobicContact CE-CD1 3.67Å; M189-L193 HydrophobicContact CE-CD2 4.15Å; M189-L193 HydrophobicContact CE-CG 3.84Å; M189-L193 VanDerWaalsContact O-CB 3.23Å; M189-L193 WeakPolarHBondContact O-CB 3.49Å; M189-L193 WeakPolarHBondContact O-CD1 3.18Å; M189-L193 WeakPolarHBondContact O-CG 3.18Å; M189-L193 PolarHBondContact O-N 2.85Å
190	E	98.8	Very high	98.7	Very high	128 Å²	128	63.7 Å²	63.7	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-62.7	-50.4	175	-177.6	175.3	-178.9	0	0	111	K186 V187 A188 L192 L193 T194	K186-E190 WeakPolarHBondContact O-CB 3.41Å; K186-E190 PolarHBondContact O-N 2.76Å; V187-E190 PolarHBondContact O-N 2.92Å; A188-E190 PolarHBondContact O-N 3.27Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 PolarHBondContact O-N 2.8Å; E190-L193 PolarHBondContact O-N 3.12Å; E190-T194 HydrophobicContact CG-CG2 4.41Å; E190-T194 WeakPolarHBondContact O-CB 3.11Å; E190-T194 WeakPolarHBondContact O-CG2 3.41Å; E190-T194 PolarHBondContact O-N 3.18Å; E190-T194 PolarHBondContact O-OG1 2.64Å
191	M	98.8	Very high	98.7	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-56.7	-43.8	175.6	-67.2	174.2	72.1	0	0	111.7	T163 V187 A188 G195 I198	T163-M191 WeakPolarHBondContact OG1-CB 3.48Å; T163-M191 PolarHBondContact OG1-O 2.93Å; V187-M191 HydrophobicContact CG1-SD 4.08Å; V187-M191 WeakPolarHBondContact O-CG 3.48Å; V187-M191 PolarHBondContact O-N 3.04Å; A188-M191 PolarHBondContact O-N 2.75Å; M191-G195 VanDerWaalsContact O-CA 3.22Å; M191-G195 WeakPolarHBondContact O-CA 3.41Å; M191-G195 PolarHBondContact O-N 2.9Å; M191-I198 HydrophobicContact CE-CD1 3.99Å; M191-I198 HydrophobicContact CE-CG1 3.95Å; M191-I198 HydrophobicContact CG-CG2 3.96Å; M191-I198 HydrophobicContact SD-CD1 3.8Å; M191-I198 HydrophobicContact SD-CG1 4.22Å; M191-I198 HydrophobicContact SD-CG2 4.07Å
192	L	98.8	Very high	98.7	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-72.4	-39.4	-175.4	-73.1	165.7	0	0	0	113.2	T163 V166 F171 C172 A176 A188 M189 E190	T163-L192 HydrophobicContact CG2-CD2 3.97Å; T163-L192 WeakPolarHBondContact OG1-CA 3.48Å; T163-L192 PolarHBondContact OG1-N 3.42Å; V166-L192 WeakPolarHBondContact CG1-O 3.44Å; F171-L192 HydrophobicContact CE1-CB 4.36Å; F171-L192 HydrophobicContact CE1-CD2 4.31Å; F171-L192 HydrophobicContact CE2-CB 4.31Å; F171-L192 HydrophobicContact CZ-CB 3.72Å; F171-L192 HydrophobicContact CZ-CD2 4.49Å; F171-L192 HydrophobicContact CZ-CG 4.49Å; C172-L192 HydrophobicContact CB-CD2 3.82Å; C172-L192 WeakPolarHBondContact O-CD2 3.43Å; A176-L192 HydrophobicContact CB-CD1 3.53Å; A176-L192 HydrophobicContact CB-CD2 3.75Å; A176-L192 HydrophobicContact CB-CG 4.31Å; A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 WeakPolarHBondContact O-CD1 3.14Å; A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 2.94Å; M189-L192 PolarHBondContact O-N 2.9Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 PolarHBondContact O-N 2.8Å
193	L	98.8	Very high	98.7	Very high	108 Å²	108	62.2 Å²	62.2	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-81.5	-32.3	-177	-68.2	169.6	0	0	0	112.6	F171 M189 E190	F171-L193 HydrophobicContact CE2-CD2 4.12Å; M189-L193 HydrophobicContact CB-CD1 4.41Å; M189-L193 HydrophobicContact CE-CD1 3.67Å; M189-L193 HydrophobicContact CE-CD2 4.15Å; M189-L193 HydrophobicContact CE-CG 3.84Å; M189-L193 VanDerWaalsContact O-CB 3.23Å; M189-L193 WeakPolarHBondContact O-CB 3.49Å; M189-L193 WeakPolarHBondContact O-CD1 3.18Å; M189-L193 WeakPolarHBondContact O-CG 3.18Å; M189-L193 PolarHBondContact O-N 2.85Å; E190-L193 PolarHBondContact O-N 3.12Å
194	T	98.8	Very high	98.7	Very high	62 Å²	62	65.3 Å²	65.3	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-99.9	-24.1	-176.2	68.2	0	0	0	0	112.9	E190 S196	E190-T194 HydrophobicContact CG-CG2 4.41Å; E190-T194 WeakPolarHBondContact O-CB 3.11Å; E190-T194 WeakPolarHBondContact O-CG2 3.41Å; E190-T194 PolarHBondContact O-N 3.18Å; E190-T194 PolarHBondContact O-OG1 2.64Å; T194-S196 PolarHBondContact O-N 3.34Å; T194-S196 WeakPolarHBondContact OG1-CB 3.27Å; T194-S196 PolarHBondContact OG1-N 3Å; T194-S196 VanDerWaalsContact OG1-N 3.12Å; T194-S196 PolarHBondContact OG1-OG 3.46Å
195	G	98.6	Very high	98.8	Very high	5 Å²	5	68 Å²	68	5%	0.052	34%	0.338	C	S	.	.			trans	70.4	3.6	-170.6	0	0	0	0	0	114.5	M191	M191-G195 VanDerWaalsContact O-CA 3.22Å; M191-G195 WeakPolarHBondContact O-CA 3.41Å; M191-G195 PolarHBondContact O-N 2.9Å
196	S	98.2	Very high	98.8	Very high	59 Å²	59	61.1 Å²	61.1	41%	0.413	31%	0.314	S	S	.	.			trans	-63.8	139.8	-178.3	-67	0	0	0	0	111.6	T194	T194-S196 PolarHBondContact O-N 3.34Å; T194-S196 WeakPolarHBondContact OG1-CB 3.27Å; T194-S196 PolarHBondContact OG1-N 3Å; T194-S196 VanDerWaalsContact OG1-N 3.12Å; T194-S196 PolarHBondContact OG1-OG 3.46Å
197	P	98.6	Very high	98.7	Very high	85 Å²	85	55.3 Å²	55.3	55%	0.552	30%	0.302	S	S	*	.			trans	-74.8	150.7	173.8	32.1	-34.3	0	0	0	111.5	F161 A162	F161-P197 CarbonylContact O-C 3.59Å; F161-P197 VanDerWaalsContact O-CA 3.27Å; F161-P197 WeakPolarHBondContact O-CA 3.36Å; A162-P197 HydrophobicContact CB-CB 4Å
198	I	98.9	Very high	98.7	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.9	162.8	66.2	171.7	0	0	0	109.9	T160 F161 M191 D202 A203 L208	T160-I198 WeakPolarHBondContact CA-O 3.48Å; F161-I198 HydrophobicContact CB-CG1 3.98Å; F161-I198 PolarHBondContact N-O 2.92Å; F161-I198 PolarHBondContact O-N 3.26Å; M191-I198 HydrophobicContact CE-CD1 3.99Å; M191-I198 HydrophobicContact CE-CG1 3.95Å; M191-I198 HydrophobicContact CG-CG2 3.96Å; M191-I198 HydrophobicContact SD-CD1 3.8Å; M191-I198 HydrophobicContact SD-CG1 4.22Å; M191-I198 HydrophobicContact SD-CG2 4.07Å; I198-D202 HydrophobicContact CB-CB 4.12Å; I198-A203 HydrophobicContact CD1-CB 3.92Å; I198-A203 HydrophobicContact CG1-CB 4.35Å; I198-L208 HydrophobicContact CD1-CD2 4.01Å
199	S	98.9	Very high	98.8	Very high	43 Å²	43	54.9 Å²	54.9	30%	0.301	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	164.4	176.8	73.8	0	0	0	0	111.5	R201 D202 A203	S199-R201 PolarHBondContact O-N 3.12Å; S199-R201 PolarHBondContact OG-N 2.8Å; S199-D202 WeakPolarHBondContact CB-OD2 3.47Å; S199-D202 PolarHBondContact N-OD2 2.89Å; S199-D202 PolarHBondContact O-N 3.27Å; S199-D202 PolarHBondContact OG-N 3.43Å; S199-D202 VanDerWaalsContact OG-N 3.1Å; S199-D202 PolarHBondContact OG-OD2 3.24Å; S199-A203 WeakPolarHBondContact O-CB 3.26Å; S199-A203 PolarHBondContact O-N 3.25Å
200	A	98.9	Very high	98.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-35.9	171.4	0	0	0	0	0	112.5	A155 T156 S159 F161 A203 L204 I209 V212	A155-A200 HydrophobicContact CB-CB 4.48Å; T156-A200 VanDerWaalsContact O-CB 3.24Å; T156-A200 WeakPolarHBondContact O-CB 3.38Å; S159-A200 WeakPolarHBondContact O-CB 3.11Å; S159-A200 PolarHBondContact O-N 3.01Å; F161-A200 HydrophobicContact CE2-CB 4.42Å; A200-A203 PolarHBondContact O-N 3.06Å; A200-L204 PolarHBondContact O-N 2.98Å; A200-I209 HydrophobicContact CB-CD1 4.47Å; A200-V212 HydrophobicContact CB-CG1 4.05Å; A200-V212 HydrophobicContact CB-CG2 3.9Å; A200-V212 VanDerWaalsContact O-CG2 3.25Å; A200-V212 WeakPolarHBondContact O-CG2 3.18Å
201	R	98.8	Very high	98.8	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	29%	0.29	S	S	*	.	H	α-helix	trans	-66.4	-43.2	177.6	-68.3	-176.2	179.2	171.4	1.2	111.8	E157 S199 L204 L205	E157-R201 IonicContact OE1-CZ 3.94Å; E157-R201 IonicContact OE1-NE 2.7Å; E157-R201 IonicContact OE1-NH2 3.68Å; E157-R201 PolarHBondContact OE1-NH2 3.15Å; S199-R201 PolarHBondContact O-N 3.12Å; S199-R201 PolarHBondContact OG-N 2.8Å; R201-L204 PolarHBondContact O-N 3.04Å; R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 PolarHBondContact O-N 3.2Å
202	D	98.8	Very high	98.8	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-69	-38	176.3	-57	-42.1	0	0	0	111.3	I198 S199 L204 L205 H206	I198-D202 HydrophobicContact CB-CB 4.12Å; S199-D202 WeakPolarHBondContact CB-OD2 3.47Å; S199-D202 PolarHBondContact N-OD2 2.89Å; S199-D202 PolarHBondContact O-N 3.27Å; S199-D202 PolarHBondContact OG-N 3.43Å; S199-D202 VanDerWaalsContact OG-N 3.1Å; S199-D202 PolarHBondContact OG-OD2 3.24Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.98Å; D202-L205 PolarHBondContact O-N 3.27Å; D202-H206 WeakPolarHBondContact O-CB 3.39Å; D202-H206 PolarHBondContact O-CD2 3.04Å; D202-H206 VanDerWaalsContact O-CD2 3.24Å; D202-H206 PolarHBondContact O-N 2.84Å
203	A	98.9	Very high	98.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-41.3	173.8	0	0	0	0	0	111.7	F161 I198 S199 A200 G207 L208 I209	F161-A203 HydrophobicContact CD2-CB 3.53Å; F161-A203 HydrophobicContact CE2-CB 3.78Å; F161-A203 HydrophobicContact CG-CB 4.35Å; I198-A203 HydrophobicContact CD1-CB 3.92Å; I198-A203 HydrophobicContact CG1-CB 4.35Å; S199-A203 WeakPolarHBondContact O-CB 3.26Å; S199-A203 PolarHBondContact O-N 3.25Å; A200-A203 PolarHBondContact O-N 3.06Å; A203-G207 PolarHBondContact O-N 3.24Å; A203-L208 HydrophobicContact CB-CB 4.03Å; A203-L208 HydrophobicContact CB-CD2 4.04Å; A203-L208 HydrophobicContact CB-CG 4.44Å; A203-L208 WeakPolarHBondContact O-CB 3.34Å; A203-L208 PolarHBondContact O-N 2.68Å; A203-I209 HydrophobicContact CB-CD1 4.04Å; A203-I209 HydrophobicContact CB-CG1 3.93Å; A203-I209 PolarHBondContact O-N 3.48Å
204	L	98.9	Very high	98.8	Very high	74 Å²	74	49.9 Å²	49.9	39%	0.387	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-48.5	173.3	177.3	63	0	0	0	111.5	A200 R201 D202 H206 G207 I209 S210 V212	A200-L204 PolarHBondContact O-N 2.98Å; R201-L204 PolarHBondContact O-N 3.04Å; D202-L204 VanDerWaalsContact C-N 3.3Å; D202-L204 PolarHBondContact O-N 2.98Å; L204-H206 PolarHBondContact O-N 2.96Å; L204-G207 PolarHBondContact O-N 2.98Å; L204-G207 VanDerWaalsContact O-N 3.14Å; L204-I209 HydrophobicContact CB-CD1 4.45Å; L204-I209 HydrophobicContact CB-CG1 4.1Å; L204-I209 WeakPolarHBondContact CD1-O 3.45Å; L204-S210 WeakPolarHBondContact CD1-O 3.39Å; L204-V212 HydrophobicContact CB-CG2 3.86Å; L204-V212 HydrophobicContact CD2-CB 4.33Å; L204-V212 HydrophobicContact CD2-CG2 4.01Å
205	L	98.8	Very high	98.7	Very high	128 Å²	128	51.3 Å²	51.3	67%	0.67	29%	0.286	S	S	*	.	H	α-helix	trans	-55.9	-36.6	179.9	178.8	63.8	0	0	0	112.2	R201 D202	R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 PolarHBondContact O-N 3.2Å; D202-L205 PolarHBondContact O-N 3.27Å
206	H	98.8	Very high	98.7	Very high	60 Å²	60	58.5 Å²	58.5	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.6	-177.2	-64.7	-42	0	0	0	114.6	V183 P184 V187 D202 L204	V183-H206 WeakPolarHBondContact CA-O 3.46Å; V183-H206 HydrophobicContact CB-CB 4.22Å; V183-H206 HydrophobicContact CG1-CB 4.1Å; P184-H206 WeakPolarHBondContact CD-O 3.37Å; V187-H206 HydrophobicContact CG1-CB 4.38Å; D202-H206 WeakPolarHBondContact O-CB 3.39Å; D202-H206 PolarHBondContact O-CD2 3.04Å; D202-H206 VanDerWaalsContact O-CD2 3.24Å; D202-H206 PolarHBondContact O-N 2.84Å; L204-H206 PolarHBondContact O-N 2.96Å
207	G	98.4	Very high	98.7	Very high	47 Å²	47	60.4 Å²	60.4	49%	0.485	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	12	175.3	0	0	0	0	0	115.5	A182 A203 L204 I209	A182-G207 CarbonylContact O-C 3.38Å; A203-G207 PolarHBondContact O-N 3.24Å; L204-G207 PolarHBondContact O-N 2.98Å; L204-G207 VanDerWaalsContact O-N 3.14Å; G207-I209 VanDerWaalsContact C-N 3.32Å
208	L	98.9	Very high	98.7	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.042	29%	0.292	C	S	.	.	S	Bend	trans	-69.2	-32.2	173.4	-176.5	61.1	0	0	0	112.1	A148 F161 A182 V183 I198 A203	A148-L208 HydrophobicContact CB-CD1 3.76Å; F161-L208 HydrophobicContact CB-CD2 3.67Å; F161-L208 HydrophobicContact CD1-CD2 4.07Å; F161-L208 HydrophobicContact CD2-CD2 4.36Å; F161-L208 HydrophobicContact CG-CD2 3.77Å; A182-L208 HydrophobicContact CB-CD1 4.01Å; V183-L208 HydrophobicContact CG1-CB 3.66Å; V183-L208 HydrophobicContact CG1-CD1 4.33Å; V183-L208 HydrophobicContact CG1-CG 4.47Å; I198-L208 HydrophobicContact CD1-CD2 4.01Å; A203-L208 HydrophobicContact CB-CB 4.03Å; A203-L208 HydrophobicContact CB-CD2 4.04Å; A203-L208 HydrophobicContact CB-CG 4.44Å; A203-L208 WeakPolarHBondContact O-CB 3.34Å; A203-L208 PolarHBondContact O-N 2.68Å
209	I	98.9	Very high	98.7	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.036	30%	0.301	C	S	.	.			trans	-134.9	159.7	178.2	63.6	173	0	0	0	111	V147 A153 A155 F161 A200 A203 L204 G207 V212	V147-I209 HydrophobicContact CG1-CG2 3.96Å; A153-I209 HydrophobicContact CB-CB 3.95Å; A153-I209 HydrophobicContact CB-CG2 3.73Å; A155-I209 HydrophobicContact CB-CD1 3.58Å; F161-I209 HydrophobicContact CE1-CG2 4.14Å; F161-I209 HydrophobicContact CE2-CD1 4.15Å; F161-I209 HydrophobicContact CE2-CG2 4.29Å; F161-I209 HydrophobicContact CZ-CD1 4.33Å; F161-I209 HydrophobicContact CZ-CG2 3.78Å; A200-I209 HydrophobicContact CB-CD1 4.47Å; A203-I209 HydrophobicContact CB-CD1 4.04Å; A203-I209 HydrophobicContact CB-CG1 3.93Å; A203-I209 PolarHBondContact O-N 3.48Å; L204-I209 HydrophobicContact CB-CD1 4.45Å; L204-I209 HydrophobicContact CB-CG1 4.1Å; L204-I209 WeakPolarHBondContact CD1-O 3.45Å; G207-I209 VanDerWaalsContact C-N 3.32Å; I209-V212 HydrophobicContact CD1-CG2 3.58Å
210	S	98.8	Very high	98.7	Very high	67 Å²	67	62.3 Å²	62.3	47%	0.469	31%	0.313	S	S	.	.	S	Bend	trans	-91.4	-29.4	-173.5	-42.5	0	0	0	0	113.4	A153 L204	A153-S210 PolarHBondContact N-OG 3.22Å; A153-S210 WeakPolarHBondContact O-CA 3.46Å; A153-S210 WeakPolarHBondContact O-CB 3.33Å; A153-S210 PolarHBondContact O-N 3.25Å; L204-S210 WeakPolarHBondContact CD1-O 3.39Å
211	K	98.8	Very high	98.7	Very high	74 Å²	74	63.4 Å²	63.4	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	146.6	-177.7	-162.3	172.2	-179.9	175.9	0	112.7	A153 I154 A155 V213 E221	A153-K211 PolarHBondContact O-N 3.48Å; I154-K211 WeakPolarHBondContact CA-O 3.37Å; I154-K211 HydrophobicContact CG1-CB 4.32Å; I154-K211 HydrophobicContact CG2-CB 4.22Å; A155-K211 PolarHBondContact N-O 2.82Å; K211-V213 HydrophobicContact CD-CG1 4.06Å; K211-V213 HydrophobicContact CG-CG1 3.96Å; K211-E221 IonicContact NZ-OE1 3.81Å; K211-E221 PolarHBondContact NZ-OE1 2.99Å; K211-E221 VanDerWaalsContact NZ-OE1 3.16Å; K211-E221 IonicContact NZ-OE2 3.9Å; K211-E221 PolarHBondContact NZ-OE2 3.48Å
212	V	98.9	Very high	98.7	Very high	28 Å²	28	55.6 Å²	55.6	17%	0.17	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.1	170.9	-179.2	0	0	0	0	109.1	A155 E157 A200 L204 I209	A155-V212 VanDerWaalsContact O-CA 3.3Å; A155-V212 WeakPolarHBondContact O-CA 3.47Å; E157-V212 HydrophobicContact CB-CG1 4.34Å; E157-V212 HydrophobicContact CG-CG1 3.78Å; A200-V212 HydrophobicContact CB-CG1 4.05Å; A200-V212 HydrophobicContact CB-CG2 3.9Å; A200-V212 VanDerWaalsContact O-CG2 3.25Å; A200-V212 WeakPolarHBondContact O-CG2 3.18Å; L204-V212 HydrophobicContact CB-CG2 3.86Å; L204-V212 HydrophobicContact CD2-CB 4.33Å; L204-V212 HydrophobicContact CD2-CG2 4.01Å; I209-V212 HydrophobicContact CD1-CG2 3.58Å
213	V	98.8	Very high	98.7	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.5	-177.5	-61.4	0	0	0	0	111.5	I154 A155 T156 E157 K211 R217 L218 E221	I154-V213 HydrophobicContact CG2-CG2 3.97Å; A155-V213 PolarHBondContact O-N 3.38Å; T156-V213 CarbonylContact C-O 3.48Å; T156-V213 VanDerWaalsContact CA-O 3.25Å; T156-V213 WeakPolarHBondContact CA-O 3.23Å; E157-V213 PolarHBondContact N-O 3Å; E157-V213 VanDerWaalsContact N-O 3.11Å; K211-V213 HydrophobicContact CD-CG1 4.06Å; K211-V213 HydrophobicContact CG-CG1 3.96Å; V213-R217 HydrophobicContact CB-CB 4.44Å; V213-L218 HydrophobicContact CG2-CB 4.27Å; V213-L218 HydrophobicContact CG2-CD1 4.06Å; V213-E221 HydrophobicContact CG1-CB 4.29Å; V213-E221 HydrophobicContact CG1-CG 4.01Å
214	P	98.6	Very high	98.7	Very high	41 Å²	41	55.9 Å²	55.9	27%	0.266	29%	0.294	S	S	.	.			trans	-56.4	150.2	166	-24.5	35.3	0	0	0	111.6	E216 R217 L218	P214-E216 VanDerWaalsContact C-N 3.3Å; P214-E216 HydrophobicContact CB-CG 4.42Å; P214-E216 WeakPolarHBondContact CB-OE1 3.32Å; P214-E216 WeakPolarHBondContact CB-OE2 3.37Å; P214-E216 PolarHBondContact O-N 2.95Å; P214-R217 PolarHBondContact O-N 3.46Å; P214-L218 PolarHBondContact O-N 3.15Å
215	E	98.3	Very high	98.7	Very high	92 Å²	92	54 Å²	54	43%	0.43	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.9	-40.9	-174.4	175.7	168.5	-159.5	0	0	112.7	N136 T156 K158 R217 L218	N136-E215 PolarHBondContact ND2-OE1 2.97Å; T156-E215 HydrophobicContact CG2-CB 4Å; T156-E215 HydrophobicContact CG2-CG 4.24Å; K158-E215 VanDerWaalsContact CE-OE2 3.27Å; K158-E215 WeakPolarHBondContact CE-OE2 3.24Å; K158-E215 IonicContact NZ-OE1 3.16Å; K158-E215 PolarHBondContact NZ-OE1 2.94Å; K158-E215 IonicContact NZ-OE2 2.64Å; K158-E215 PolarHBondContact NZ-OE2 3.32Å; E215-R217 PolarHBondContact O-N 3.38Å; E215-L218 VanDerWaalsContact O-CB 3.32Å; E215-L218 WeakPolarHBondContact O-CB 3.35Å; E215-L218 PolarHBondContact O-N 2.96Å
216	E	98.3	Very high	98.7	Very high	156 Å²	156	47.9 Å²	47.9	73%	0.729	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.5	177.8	67	-81.7	-167.9	0	0	113.6	P214	P214-E216 VanDerWaalsContact C-N 3.3Å; P214-E216 HydrophobicContact CB-CG 4.42Å; P214-E216 WeakPolarHBondContact CB-OE1 3.32Å; P214-E216 WeakPolarHBondContact CB-OE2 3.37Å; P214-E216 PolarHBondContact O-N 2.95Å
217	R	98.5	Very high	98.7	Very high	98 Å²	98	50 Å²	50	37%	0.37	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-101.7	-6.1	178.2	-60.1	-166.5	66.5	-144.6	-9.4	113.6	V213 P214 E215 E219 E220 E221	V213-R217 HydrophobicContact CB-CB 4.44Å; P214-R217 PolarHBondContact O-N 3.46Å; E215-R217 PolarHBondContact O-N 3.38Å; R217-E219 VanDerWaalsContact C-N 3.33Å; R217-E219 PolarHBondContact O-N 2.81Å; R217-E220 IonicContact NE-OE2 2.86Å; R217-E220 IonicContact NH2-OE2 3.51Å; R217-E220 PolarHBondContact O-N 3.3Å; R217-E221 HydrophobicContact CB-CG 4.32Å; R217-E221 IonicContact CZ-OE1 3.53Å; R217-E221 IonicContact NH1-OE1 3.36Å; R217-E221 IonicContact NH2-OE1 2.81Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å; R217-E221 VanDerWaalsContact O-CB 3.31Å; R217-E221 WeakPolarHBondContact O-CB 3.22Å; R217-E221 VanDerWaalsContact O-CG 3.27Å; R217-E221 WeakPolarHBondContact O-CG 3.49Å; R217-E221 PolarHBondContact O-N 3.47Å
218	L	98.8	Very high	98.7	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-55.9	-48.5	-175.5	-177.8	69.1	0	0	0	112.3	M134 N136 I154 T156 V213 P214 E215 T222	M134-L218 HydrophobicContact CG-CD1 3.97Å; M134-L218 HydrophobicContact CG-CD2 3.66Å; M134-L218 HydrophobicContact CG-CG 3.58Å; M134-L218 HydrophobicContact SD-CD2 4.25Å; M134-L218 HydrophobicContact SD-CG 4.06Å; N136-L218 HydrophobicContact CB-CD2 3.73Å; I154-L218 HydrophobicContact CB-CD1 4.37Å; I154-L218 HydrophobicContact CG2-CD1 3.83Å; T156-L218 HydrophobicContact CG2-CB 3.99Å; T156-L218 HydrophobicContact CG2-CD1 4Å; T156-L218 HydrophobicContact CG2-CD2 3.6Å; T156-L218 HydrophobicContact CG2-CG 4.06Å; V213-L218 HydrophobicContact CG2-CB 4.27Å; V213-L218 HydrophobicContact CG2-CD1 4.06Å; P214-L218 PolarHBondContact O-N 3.15Å; E215-L218 VanDerWaalsContact O-CB 3.32Å; E215-L218 WeakPolarHBondContact O-CB 3.35Å; E215-L218 PolarHBondContact O-N 2.96Å; L218-T222 VanDerWaalsContact O-CB 3.31Å; L218-T222 WeakPolarHBondContact O-CB 3.37Å; L218-T222 PolarHBondContact O-N 3.01Å; L218-T222 PolarHBondContact O-OG1 2.88Å
219	E	98.6	Very high	98.6	Very high	67 Å²	67	56.5 Å²	56.5	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-51.1	-178	-177.7	63	-142.7	0	0	111.3	R47 M134 R217 E221 T222 L223	R47-E219 IonicContact CZ-OE1 2.6Å; R47-E219 IonicContact CZ-OE2 2.83Å; R47-E219 IonicContact NH1-OE1 3.22Å; R47-E219 PolarHBondContact NH1-OE1 3.45Å; R47-E219 IonicContact NH2-OE1 3.13Å; R47-E219 PolarHBondContact NH2-OE1 3.34Å; R47-E219 IonicContact NH2-OE2 3.84Å; R47-E219 PolarHBondContact NH2-OE2 2.78Å; M134-E219 WeakPolarHBondContact CE-OE2 3.41Å; R217-E219 VanDerWaalsContact C-N 3.33Å; R217-E219 PolarHBondContact O-N 2.81Å; E219-E221 PolarHBondContact O-N 2.82Å; E219-T222 PolarHBondContact O-N 2.73Å; E219-L223 HydrophobicContact CG-CD1 4.23Å; E219-L223 WeakPolarHBondContact O-CB 3.17Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.26Å; E219-L223 WeakPolarHBondContact OE1-CD1 3.38Å
220	E	98.6	Very high	98.6	Very high	118 Å²	118	57.5 Å²	57.5	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-55.5	-49.6	178.6	-176.7	-163.8	-178.8	0	0	111.3	R217 L223 A224	R217-E220 IonicContact NE-OE2 2.86Å; R217-E220 IonicContact NH2-OE2 3.51Å; R217-E220 PolarHBondContact O-N 3.3Å; E220-L223 PolarHBondContact O-N 3.31Å; E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 2.85Å
221	E	98.7	Very high	98.5	Very high	23 Å²	23	60.9 Å²	60.9	11%	0.107	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-38	-175.2	-72.4	-80.6	-164.8	0	0	112.2	K211 V213 R217 E219 A224 I225	K211-E221 IonicContact NZ-OE1 3.81Å; K211-E221 PolarHBondContact NZ-OE1 2.99Å; K211-E221 VanDerWaalsContact NZ-OE1 3.16Å; K211-E221 IonicContact NZ-OE2 3.9Å; K211-E221 PolarHBondContact NZ-OE2 3.48Å; V213-E221 HydrophobicContact CG1-CB 4.29Å; V213-E221 HydrophobicContact CG1-CG 4.01Å; R217-E221 HydrophobicContact CB-CG 4.32Å; R217-E221 IonicContact CZ-OE1 3.53Å; R217-E221 IonicContact NH1-OE1 3.36Å; R217-E221 IonicContact NH2-OE1 2.81Å; R217-E221 PolarHBondContact NH2-OE1 3.18Å; R217-E221 VanDerWaalsContact O-CB 3.31Å; R217-E221 WeakPolarHBondContact O-CB 3.22Å; R217-E221 VanDerWaalsContact O-CG 3.27Å; R217-E221 WeakPolarHBondContact O-CG 3.49Å; R217-E221 PolarHBondContact O-N 3.47Å; E219-E221 PolarHBondContact O-N 2.82Å; E221-A224 PolarHBondContact O-N 2.98Å; E221-I225 WeakPolarHBondContact O-CG1 3.49Å; E221-I225 PolarHBondContact O-N 2.65Å
222	T	98.9	Very high	98.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-46.3	174.5	-57.2	0	0	0	0	110.7	I84 I132 M134 I154 L218 E219 A224 I225 A226	I84-T222 HydrophobicContact CD1-CG2 3.91Å; I84-T222 HydrophobicContact CG1-CG2 4.14Å; I84-T222 HydrophobicContact CG2-CG2 3.74Å; I132-T222 HydrophobicContact CG2-CG2 4Å; M134-T222 HydrophobicContact CB-CG2 3.92Å; M134-T222 HydrophobicContact CG-CG2 4.11Å; M134-T222 WeakPolarHBondContact CG-OG1 3.37Å; M134-T222 HydrophobicContact SD-CG2 3.97Å; I154-T222 HydrophobicContact CD1-CG2 4.15Å; L218-T222 VanDerWaalsContact O-CB 3.31Å; L218-T222 WeakPolarHBondContact O-CB 3.37Å; L218-T222 PolarHBondContact O-N 3.01Å; L218-T222 PolarHBondContact O-OG1 2.88Å; E219-T222 PolarHBondContact O-N 2.73Å; T222-A224 VanDerWaalsContact C-N 3.34Å; T222-A224 PolarHBondContact O-N 2.87Å; T222-I225 PolarHBondContact O-N 2.81Å; T222-A226 PolarHBondContact O-N 3.4Å
223	L	98.6	Very high	98.3	Very high	43 Å²	43	58.5 Å²	58.5	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-37.8	177.6	-74.3	176.7	0	0	0	112.1	I45 I84 E219 E220 I225 A226 Q227	I45-L223 HydrophobicContact CD1-CD2 4.35Å; I84-L223 HydrophobicContact CD1-CD2 3.97Å; E219-L223 HydrophobicContact CG-CD1 4.23Å; E219-L223 WeakPolarHBondContact O-CB 3.17Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.26Å; E219-L223 WeakPolarHBondContact OE1-CD1 3.38Å; E220-L223 PolarHBondContact O-N 3.31Å; L223-I225 VanDerWaalsContact C-N 3.29Å; L223-I225 PolarHBondContact O-N 2.79Å; L223-A226 PolarHBondContact O-N 3.25Å; L223-Q227 VanDerWaalsContact O-CB 3.32Å; L223-Q227 WeakPolarHBondContact O-CB 3.35Å; L223-Q227 WeakPolarHBondContact O-CG 3.39Å; L223-Q227 PolarHBondContact O-N 2.88Å
224	A	98.7	Very high	98.2	Very high	28 Å²	28	59.6 Å²	59.6	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-37.6	176.8	0	0	0	0	0	112.2	E220 E221 T222 R228	E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 2.85Å; E221-A224 PolarHBondContact O-N 2.98Å; T222-A224 VanDerWaalsContact C-N 3.34Å; T222-A224 PolarHBondContact O-N 2.87Å; A224-R228 WeakPolarHBondContact O-CG 3.43Å; A224-R228 PolarHBondContact O-N 2.99Å
225	I	98.8	Very high	98.1	Very high	33 Å²	33	58 Å²	58	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-47.9	174.3	-65.7	164.8	0	0	0	110.3	I132 I152 I154 E221 T222 L223 Q227 R228 V229	I132-I225 HydrophobicContact CD1-CB 4.39Å; I132-I225 HydrophobicContact CD1-CG2 3.82Å; I152-I225 HydrophobicContact CD1-CG2 3.75Å; I152-I225 HydrophobicContact CG2-CD1 4.48Å; I152-I225 HydrophobicContact CG2-CG2 4.46Å; I154-I225 HydrophobicContact CD1-CD1 3.73Å; I154-I225 HydrophobicContact CG1-CD1 3.77Å; E221-I225 WeakPolarHBondContact O-CG1 3.49Å; E221-I225 PolarHBondContact O-N 2.65Å; T222-I225 PolarHBondContact O-N 2.81Å; L223-I225 VanDerWaalsContact C-N 3.29Å; L223-I225 PolarHBondContact O-N 2.79Å; I225-Q227 VanDerWaalsContact C-N 3.3Å; I225-Q227 PolarHBondContact O-N 3.47Å; I225-R228 WeakPolarHBondContact O-CB 3.26Å; I225-R228 PolarHBondContact O-N 3.35Å; I225-R228 VanDerWaalsContact O-N 3.12Å; I225-V229 PolarHBondContact O-N 3.17Å; I225-V229 VanDerWaalsContact O-N 3.09Å
226	A	98.8	Very high	98.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-41.7	178.6	0	0	0	0	0	112.1	I45 V82 I84 I132 T222 L223 R228 V229 C230	I45-A226 HydrophobicContact CD1-CB 3.75Å; I45-A226 HydrophobicContact CG1-CB 4.11Å; I45-A226 HydrophobicContact CG2-CB 4.24Å; V82-A226 HydrophobicContact CG1-CB 3.82Å; V82-A226 HydrophobicContact CG2-CB 4.44Å; I84-A226 HydrophobicContact CD1-CB 3.87Å; I84-A226 HydrophobicContact CG1-CB 4.28Å; I132-A226 HydrophobicContact CD1-CB 4Å; T222-A226 PolarHBondContact O-N 3.4Å; L223-A226 PolarHBondContact O-N 3.25Å; A226-R228 VanDerWaalsContact C-N 3.35Å; A226-R228 PolarHBondContact O-N 3.38Å; A226-V229 WeakPolarHBondContact O-CB 3.31Å; A226-V229 PolarHBondContact O-N 2.92Å; A226-V229 VanDerWaalsContact O-N 3.17Å; A226-C230 PolarHBondContact O-N 3.19Å; A226-C230 PolarHBondContact O-SG 2.97Å; A226-C230 VanDerWaalsContact O-SG 3.39Å
227	Q	98.5	Very high	98.1	Very high	106 Å²	106	49.9 Å²	49.9	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-36.7	176.3	-73.8	171.3	0.9	0	0	112.4	I45 L223 I225 V229 C230 Q231	I45-Q227 HydrophobicContact CD1-CG 4.06Å; L223-Q227 VanDerWaalsContact O-CB 3.32Å; L223-Q227 WeakPolarHBondContact O-CB 3.35Å; L223-Q227 WeakPolarHBondContact O-CG 3.39Å; L223-Q227 PolarHBondContact O-N 2.88Å; I225-Q227 VanDerWaalsContact C-N 3.3Å; I225-Q227 PolarHBondContact O-N 3.47Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; Q227-C230 WeakPolarHBondContact O-CB 3.4Å; Q227-C230 PolarHBondContact O-N 3.47Å; Q227-Q231 WeakPolarHBondContact O-CG 3.37Å; Q227-Q231 PolarHBondContact O-N 3.18Å; Q227-Q231 VanDerWaalsContact O-N 3.08Å
228	R	98.2	Very high	98.1	Very high	166 Å²	166	46 Å²	46	63%	0.626	23%	0.232	S	C	*	.	H	α-helix	trans	-63.7	-38.7	172.5	-79	-179.5	169	114.3	-3.1	112	A224 I225 A226 C230 Q231 S232	A224-R228 WeakPolarHBondContact O-CG 3.43Å; A224-R228 PolarHBondContact O-N 2.99Å; I225-R228 WeakPolarHBondContact O-CB 3.26Å; I225-R228 PolarHBondContact O-N 3.35Å; I225-R228 VanDerWaalsContact O-N 3.12Å; A226-R228 VanDerWaalsContact C-N 3.35Å; A226-R228 PolarHBondContact O-N 3.38Å; R228-C230 VanDerWaalsContact C-N 3.35Å; R228-Q231 PolarHBondContact O-N 3.17Å; R228-S232 PolarHBondContact O-OG 2.74Å
229	V	98.2	Very high	98	Very high	24 Å²	24	47.7 Å²	47.7	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-44.1	172.5	177.3	0	0	0	0	110.4	V82 P130 I225 A226 Q227 Q231 S232	V82-V229 HydrophobicContact CB-CB 4.32Å; V82-V229 HydrophobicContact CB-CG1 4Å; P130-V229 HydrophobicContact CG-CG1 3.83Å; P130-V229 HydrophobicContact CG-CG2 4.44Å; I225-V229 PolarHBondContact O-N 3.17Å; I225-V229 VanDerWaalsContact O-N 3.09Å; A226-V229 WeakPolarHBondContact O-CB 3.31Å; A226-V229 PolarHBondContact O-N 2.92Å; A226-V229 VanDerWaalsContact O-N 3.17Å; Q227-V229 VanDerWaalsContact C-N 3.33Å; V229-Q231 PolarHBondContact O-N 3.5Å; V229-S232 WeakPolarHBondContact O-CB 3.49Å; V229-S232 PolarHBondContact O-N 3.22Å
230	C	97.7	Very high	98	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-23.5	176.7	-66.6	0	0	0	0	114	H43 I45 R81 A226 Q227 R228 S232	H43-C230 PolarHBondContact O-SG 2.84Å; I45-C230 VanDerWaalsContact CG1-SG 3.58Å; R81-C230 HydrophobicContact CB-CB 4.43Å; R81-C230 HydrophobicContact CG-CB 4.38Å; A226-C230 PolarHBondContact O-N 3.19Å; A226-C230 PolarHBondContact O-SG 2.97Å; A226-C230 VanDerWaalsContact O-SG 3.39Å; Q227-C230 WeakPolarHBondContact O-CB 3.4Å; Q227-C230 PolarHBondContact O-N 3.47Å; R228-C230 VanDerWaalsContact C-N 3.35Å; C230-S232 PolarHBondContact O-N 3.45Å
231	Q	97	Very high	98	Very high	137 Å²	137	41.5 Å²	41.5	64%	0.64	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.8	175.3	-70.6	168.9	6.2	0	0	113.4	Q227 R228 V229 W287	Q227-Q231 WeakPolarHBondContact O-CG 3.37Å; Q227-Q231 PolarHBondContact O-N 3.18Å; Q227-Q231 VanDerWaalsContact O-N 3.08Å; R228-Q231 PolarHBondContact O-N 3.17Å; V229-Q231 PolarHBondContact O-N 3.5Å; Q231-W287 PolarHBondContact O-NE1 3.1Å
232	S	96.9	Very high	97.9	Very high	48 Å²	48	42.8 Å²	42.8	34%	0.336	24%	0.237	S	C	.	.	S	Bend	trans	-103.1	161.1	179.6	-56.5	0	0	0	0	111.3	R228 V229 C230 R234	R228-S232 PolarHBondContact O-OG 2.74Å; V229-S232 WeakPolarHBondContact O-CB 3.49Å; V229-S232 PolarHBondContact O-N 3.22Å; C230-S232 PolarHBondContact O-N 3.45Å; S232-R234 PolarHBondContact O-N 3.06Å
233	S	97.6	Very high	97.9	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.028	24%	0.24	C	C	.	.			trans	-68.3	122.8	172.3	167.3	0	0	0	0	111.2	P235 V236 V237 D271	S233-P235 VanDerWaalsContact OG-CD 3.23Å; S233-P235 WeakPolarHBondContact OG-CD 3.47Å; S233-P235 VanDerWaalsContact OG-CG 3.31Å; S233-P235 WeakPolarHBondContact OG-CG 3.28Å; S233-V236 PolarHBondContact O-N 3.21Å; S233-V236 WeakPolarHBondContact OG-CG2 3.38Å; S233-V237 WeakPolarHBondContact O-CG2 3.42Å; S233-V237 PolarHBondContact O-N 3.48Å; S233-D271 VanDerWaalsContact CB-OD2 3.23Å; S233-D271 WeakPolarHBondContact CB-OD2 3.33Å; S233-D271 WeakPolarHBondContact OG-CB 3.38Å; S233-D271 VanDerWaalsContact OG-CG 3.28Å; S233-D271 PolarHBondContact OG-OD2 3.06Å
234	R	96.9	Very high	97.9	Very high	30 Å²	30	46.9 Å²	46.9	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-52.5	-54.5	175.2	-173.9	-172.2	-178	-80.3	2.4	113.1	V75 L80 I129 S232 V236 V237 A238 H289	V75-R234 PolarHBondContact O-NH2 2.75Å; L80-R234 WeakPolarHBondContact O-CD 3.48Å; L80-R234 PolarHBondContact O-NE 3.4Å; L80-R234 VanDerWaalsContact O-NE 3.16Å; I129-R234 HydrophobicContact CG2-CG 4.48Å; S232-R234 PolarHBondContact O-N 3.06Å; R234-V236 VanDerWaalsContact C-N 3.3Å; R234-V236 PolarHBondContact O-N 3.41Å; R234-V237 PolarHBondContact O-N 3.36Å; R234-A238 WeakPolarHBondContact O-CB 3.38Å; R234-A238 PolarHBondContact O-N 2.94Å; R234-H289 HydrophobicContact CB-CB 4.5Å
235	P	96.6	Very high	97.8	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.045	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-33.7	-178.9	24.3	-35.4	0	0	0	112.9	S233 A238 L239 L269 H289 K290	S233-P235 VanDerWaalsContact OG-CD 3.23Å; S233-P235 WeakPolarHBondContact OG-CD 3.47Å; S233-P235 VanDerWaalsContact OG-CG 3.31Å; S233-P235 WeakPolarHBondContact OG-CG 3.28Å; P235-A238 PolarHBondContact O-N 3.27Å; P235-L239 VanDerWaalsContact O-CB 3.27Å; P235-L239 WeakPolarHBondContact O-CB 3.22Å; P235-L239 PolarHBondContact O-N 3.45Å; P235-L269 HydrophobicContact CB-CD1 4.42Å; P235-H289 WeakPolarHBondContact CD-O 3.28Å; P235-K290 WeakPolarHBondContact CG-O 3.41Å
236	V	97.7	Very high	97.7	Very high	41 Å²	41	53.7 Å²	53.7	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-45.9	174.5	173.9	0	0	0	0	111	S233 R234 L239 G240 L269 D271	S233-V236 PolarHBondContact O-N 3.21Å; S233-V236 WeakPolarHBondContact OG-CG2 3.38Å; R234-V236 VanDerWaalsContact C-N 3.3Å; R234-V236 PolarHBondContact O-N 3.41Å; V236-L239 PolarHBondContact O-N 2.97Å; V236-G240 PolarHBondContact O-N 3.25Å; V236-L269 HydrophobicContact CG2-CD1 4.16Å; V236-D271 HydrophobicContact CG2-CB 4.23Å
237	V	97.9	Very high	97.7	Very high	37 Å²	37	55.9 Å²	55.9	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-44.1	176.1	170.9	0	0	0	0	111.2	P130 S233 R234 L239 G240 K241	P130-V237 HydrophobicContact CG-CG1 3.65Å; S233-V237 WeakPolarHBondContact O-CG2 3.42Å; S233-V237 PolarHBondContact O-N 3.48Å; R234-V237 PolarHBondContact O-N 3.36Å; V237-L239 PolarHBondContact O-N 2.88Å; V237-G240 PolarHBondContact O-N 2.97Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 PolarHBondContact O-N 3.47Å
238	A	97.5	Very high	97.6	Very high	16 Å²	16	56.7 Å²	56.7	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-48.9	177.5	0	0	0	0	0	111.6	P128 R234 P235 G240 K241 A242	P128-A238 HydrophobicContact CB-CB 3.82Å; P128-A238 WeakPolarHBondContact O-CA 3.29Å; P128-A238 WeakPolarHBondContact O-CB 3.32Å; R234-A238 WeakPolarHBondContact O-CB 3.38Å; R234-A238 PolarHBondContact O-N 2.94Å; P235-A238 PolarHBondContact O-N 3.27Å; A238-G240 PolarHBondContact O-N 3.31Å; A238-K241 PolarHBondContact O-N 3.18Å; A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 2.89Å
239	L	97.4	Very high	97.4	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-44.8	178.5	-176.7	63	0	0	0	111.4	P235 V236 V237 T243 V262 N266 L269	P235-L239 VanDerWaalsContact O-CB 3.27Å; P235-L239 WeakPolarHBondContact O-CB 3.22Å; P235-L239 PolarHBondContact O-N 3.45Å; V236-L239 PolarHBondContact O-N 2.97Å; V237-L239 PolarHBondContact O-N 2.88Å; L239-T243 VanDerWaalsContact O-CB 3.23Å; L239-T243 WeakPolarHBondContact O-CB 3.33Å; L239-T243 PolarHBondContact O-N 2.93Å; L239-T243 PolarHBondContact O-OG1 2.9Å; L239-V262 HydrophobicContact CD1-CG1 3.77Å; L239-V262 HydrophobicContact CD2-CG1 3.88Å; L239-V262 HydrophobicContact CG-CG1 3.57Å; L239-N266 HydrophobicContact CD2-CB 3.69Å; L239-L269 HydrophobicContact CD2-CD1 4.32Å
240	G	98.3	Very high	97.4	Very high	37 Å²	37	55.2 Å²	55.2	38%	0.381	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-49.1	177.7	0	0	0	0	0	112.7	V236 V237 A238 T243 F244	V236-G240 PolarHBondContact O-N 3.25Å; V237-G240 PolarHBondContact O-N 2.97Å; A238-G240 PolarHBondContact O-N 3.31Å; G240-T243 PolarHBondContact O-N 3.24Å; G240-F244 WeakPolarHBondContact O-CB 3.4Å; G240-F244 PolarHBondContact O-N 2.87Å
241	K	98.3	Very high	97.5	Very high	17 Å²	17	56.4 Å²	56.4	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-51.8	179	174.9	171.1	168.6	170.2	0	112	I124 Q125 L127 I129 D151 V237 A238 T243 F244 H245	I124-K241 PolarHBondContact O-NZ 3.21Å; Q125-K241 WeakPolarHBondContact O-CE 3.34Å; L127-K241 WeakPolarHBondContact O-CD 3.31Å; L127-K241 VanDerWaalsContact O-CE 3.26Å; L127-K241 WeakPolarHBondContact O-CE 3.17Å; I129-K241 PolarHBondContact O-NZ 3.04Å; D151-K241 WeakPolarHBondContact OD1-CE 3.27Å; D151-K241 IonicContact OD1-NZ 3.7Å; D151-K241 PolarHBondContact OD1-NZ 2.63Å; D151-K241 IonicContact OD2-NZ 3.55Å; D151-K241 PolarHBondContact OD2-NZ 3.13Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 PolarHBondContact O-N 3.47Å; A238-K241 PolarHBondContact O-N 3.18Å; K241-T243 PolarHBondContact O-N 2.78Å; K241-F244 WeakPolarHBondContact O-CB 3.45Å; K241-F244 PolarHBondContact O-N 2.85Å; K241-H245 PolarHBondContact O-CD2 3.45Å; K241-H245 PolarHBondContact O-N 2.75Å
242	A	98.1	Very high	97.5	Very high	51 Å²	51	58.4 Å²	58.4	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-39.4	179.4	0	0	0	0	0	111.8	A238 R246	A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 2.89Å; A242-R246 WeakPolarHBondContact O-CB 3.32Å; A242-R246 PolarHBondContact O-N 2.9Å; A242-R246 VanDerWaalsContact O-N 3.16Å
243	T	98.3	Very high	97.6	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.08	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-39.9	179.4	-58.4	0	0	0	0	111.9	L239 G240 K241 H245 R246 Q247 V262	L239-T243 VanDerWaalsContact O-CB 3.23Å; L239-T243 WeakPolarHBondContact O-CB 3.33Å; L239-T243 PolarHBondContact O-N 2.93Å; L239-T243 PolarHBondContact O-OG1 2.9Å; G240-T243 PolarHBondContact O-N 3.24Å; K241-T243 PolarHBondContact O-N 2.78Å; T243-H245 PolarHBondContact O-N 3.33Å; T243-R246 PolarHBondContact O-N 3.39Å; T243-Q247 VanDerWaalsContact O-CG 3.26Å; T243-Q247 WeakPolarHBondContact O-CG 3.05Å; T243-Q247 PolarHBondContact O-N 3.3Å; T243-V262 HydrophobicContact CG2-CB 3.97Å; T243-V262 HydrophobicContact CG2-CG1 3.98Å; T243-V262 HydrophobicContact CG2-CG2 3.85Å; T243-V262 WeakPolarHBondContact OG1-CG1 3.07Å; T243-V262 WeakPolarHBondContact OG1-CG2 3.1Å
244	F	98.3	Very high	97.6	Very high	116 Å²	116	63.6 Å²	63.6	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-56.1	-52.4	176.1	177.3	-97.1	0	0	0	111.2	G240 K241 R246 Q247 M248	G240-F244 WeakPolarHBondContact O-CB 3.4Å; G240-F244 PolarHBondContact O-N 2.87Å; K241-F244 WeakPolarHBondContact O-CB 3.45Å; K241-F244 PolarHBondContact O-N 2.85Å; F244-R246 PolarHBondContact O-N 3.07Å; F244-Q247 WeakPolarHBondContact O-CG 3.33Å; F244-Q247 PolarHBondContact O-N 3.03Å; F244-Q247 PolarHBondContact O-NE2 3.18Å; F244-M248 HydrophobicContact CD1-CG 4.47Å; F244-M248 HydrophobicContact CE1-CG 4.12Å; F244-M248 HydrophobicContact CE2-CG 4.25Å; F244-M248 HydrophobicContact CE2-SD 4.3Å; F244-M248 HydrophobicContact CZ-CG 4Å; F244-M248 HydrophobicContact CZ-SD 4.26Å; F244-M248 VanDerWaalsContact O-CG 3.26Å; F244-M248 WeakPolarHBondContact O-CG 3.49Å; F244-M248 PolarHBondContact O-N 2.79Å
245	H	96.8	Very high	97.7	Very high	57 Å²	57	62.7 Å²	62.7	26%	0.264	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-40.6	179.1	-73.5	-67.1	0	0	0	112.6	Q125 D151 K241 T243	Q125-H245 PolarHBondContact O-CD2 2.97Å; D151-H245 IonicContact OD1-NE2 2.73Å; K241-H245 PolarHBondContact O-CD2 3.45Å; K241-H245 PolarHBondContact O-N 2.75Å; T243-H245 PolarHBondContact O-N 3.33Å
246	R	96.8	Very high	97.8	Very high	146 Å²	146	70 Å²	70	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-61.9	-48.7	178.4	-175.3	-178	-62.7	163.2	2.5	112.3	A242 T243 F244 M248 A249 T258	A242-R246 WeakPolarHBondContact O-CB 3.32Å; A242-R246 PolarHBondContact O-N 2.9Å; A242-R246 VanDerWaalsContact O-N 3.16Å; T243-R246 PolarHBondContact O-N 3.39Å; F244-R246 PolarHBondContact O-N 3.07Å; R246-M248 VanDerWaalsContact C-N 3.33Å; R246-M248 PolarHBondContact O-N 3.28Å; R246-A249 PolarHBondContact O-N 2.91Å; R246-T258 HydrophobicContact CG-CG2 4.42Å
247	Q	97.8	Very high	97.8	Very high	47 Å²	47	71.2 Å²	71.2	22%	0.22	39%	0.394	C	S	.	.	H	α-helix	trans	-70	-31.3	-175.1	69.7	71.9	24.1	0	0	112.3	T243 F244 A249 Q250 A255	T243-Q247 VanDerWaalsContact O-CG 3.26Å; T243-Q247 WeakPolarHBondContact O-CG 3.05Å; T243-Q247 PolarHBondContact O-N 3.3Å; F244-Q247 WeakPolarHBondContact O-CG 3.33Å; F244-Q247 PolarHBondContact O-N 3.03Å; F244-Q247 PolarHBondContact O-NE2 3.18Å; Q247-A249 PolarHBondContact O-N 3.4Å; Q247-A249 VanDerWaalsContact O-N 3.1Å; Q247-Q250 WeakPolarHBondContact O-CB 3.4Å; Q247-Q250 PolarHBondContact O-N 2.86Å; Q247-A255 HydrophobicContact CB-CB 4.07Å
248	M	96.8	Very high	97.8	Very high	122 Å²	122	70.9 Å²	70.9	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-61.2	-22.1	178.9	-77.1	-56.9	-65.8	0	0	113.4	F244 R246	F244-M248 HydrophobicContact CD1-CG 4.47Å; F244-M248 HydrophobicContact CE1-CG 4.12Å; F244-M248 HydrophobicContact CE2-CG 4.25Å; F244-M248 HydrophobicContact CE2-SD 4.3Å; F244-M248 HydrophobicContact CZ-CG 4Å; F244-M248 HydrophobicContact CZ-SD 4.26Å; F244-M248 VanDerWaalsContact O-CG 3.26Å; F244-M248 WeakPolarHBondContact O-CG 3.49Å; F244-M248 PolarHBondContact O-N 2.79Å; R246-M248 VanDerWaalsContact C-N 3.33Å; R246-M248 PolarHBondContact O-N 3.28Å
249	A	95.3	Very high	97.9	Very high	93 Å²	93	71.6 Å²	71.6	77%	0.769	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.1	177.2	0	0	0	0	0	113.7	R246 Q247	R246-A249 PolarHBondContact O-N 2.91Å; Q247-A249 PolarHBondContact O-N 3.4Å; Q247-A249 VanDerWaalsContact O-N 3.1Å
250	Q	98	Very high	97.9	Very high	66 Å²	66	72.9 Å²	72.9	31%	0.308	41%	0.411	S	S	.	.	S	Bend	trans	-104	158.6	-172.5	-63.8	174.6	-23.7	0	0	112.2	Q247 A254 A255 T258	Q247-Q250 WeakPolarHBondContact O-CB 3.4Å; Q247-Q250 PolarHBondContact O-N 2.86Å; Q250-A254 HydrophobicContact CB-CB 4.26Å; Q250-A254 PolarHBondContact OE1-O 2.78Å; Q250-A255 HydrophobicContact CB-CB 4.19Å; Q250-A255 VanDerWaalsContact OE1-CA 3.25Å; Q250-T258 PolarHBondContact NE2-OG1 2.8Å; Q250-T258 VanDerWaalsContact NE2-OG1 3.16Å; Q250-T258 PolarHBondContact OE1-OG1 2.88Å
251	G	98.3	Very high	97.9	Very high	54 Å²	54	78 Å²	78	56%	0.557	42%	0.423	S	S	*	.			trans	-68.1	152.2	163.3	0	0	0	0	0	110.9	D253 A254 A255	G251-D253 VanDerWaalsContact C-N 3.33Å; G251-D253 PolarHBondContact O-N 3.19Å; G251-D253 VanDerWaalsContact O-N 3.13Å; G251-A254 PolarHBondContact O-N 2.91Å; G251-A254 VanDerWaalsContact O-N 3.1Å; G251-A255 PolarHBondContact O-N 3.28Å
252	R	98.3	Very high	97.9	Very high	179 Å²	179	78 Å²	78	68%	0.675	42%	0.424	S	S	*	.	H	α-helix	trans	-45.2	-50.2	-171.3	-175.3	-170.4	66.6	-166.4	-3.5	114.5	A255 Y256	R252-A255 WeakPolarHBondContact O-CB 3.16Å; R252-A255 PolarHBondContact O-N 3.15Å; R252-Y256 HydrophobicContact CG-CD2 3.86Å; R252-Y256 HydrophobicContact CG-CE2 3.71Å; R252-Y256 WeakPolarHBondContact O-CD2 3.47Å; R252-Y256 PolarHBondContact O-N 3.27Å
253	D	98.4	Very high	97.9	Very high	112 Å²	112	81.4 Å²	81.4	60%	0.599	43%	0.433	S	S	*	.	H	α-helix	trans	-71.5	-36.4	-172.3	-58.3	-9.2	0	0	0	111.4	G251 Y256 A257	G251-D253 VanDerWaalsContact C-N 3.33Å; G251-D253 PolarHBondContact O-N 3.19Å; G251-D253 VanDerWaalsContact O-N 3.13Å; D253-Y256 PolarHBondContact O-N 3.05Å; D253-A257 PolarHBondContact O-N 3.44Å
254	A	98.4	Very high	97.9	Very high	49 Å²	49	85.4 Å²	85.4	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-35.3	172.2	0	0	0	0	0	112.3	Q250 G251 A257 T258	Q250-A254 HydrophobicContact CB-CB 4.26Å; Q250-A254 PolarHBondContact OE1-O 2.78Å; G251-A254 PolarHBondContact O-N 2.91Å; G251-A254 VanDerWaalsContact O-N 3.1Å; A254-A257 PolarHBondContact O-N 3.28Å; A254-T258 WeakPolarHBondContact O-CB 3.05Å; A254-T258 PolarHBondContact O-N 2.95Å; A254-T258 PolarHBondContact O-OG1 3.05Å
255	A	98.6	Very high	97.7	Very high	12 Å²	12	82.5 Å²	82.5	10%	0.099	45%	0.447	C	S	.	.	H	α-helix	trans	-60.8	-47.4	173.5	0	0	0	0	0	111.3	Q247 Q250 G251 R252 T258 A259	Q247-A255 HydrophobicContact CB-CB 4.07Å; Q250-A255 HydrophobicContact CB-CB 4.19Å; Q250-A255 VanDerWaalsContact OE1-CA 3.25Å; G251-A255 PolarHBondContact O-N 3.28Å; R252-A255 WeakPolarHBondContact O-CB 3.16Å; R252-A255 PolarHBondContact O-N 3.15Å; A255-T258 PolarHBondContact O-N 2.9Å; A255-A259 WeakPolarHBondContact O-CB 3.19Å; A255-A259 PolarHBondContact O-N 3.32Å
256	Y	98.6	Very high	97.8	Very high	160 Å²	160	81.4 Å²	81.4	63%	0.627	44%	0.443	S	S	*	.	H	α-helix	trans	-66.2	-39.2	175.7	-81.7	-64	0	0	0	113.3	R252 D253 T258 A259 S260	R252-Y256 HydrophobicContact CG-CD2 3.86Å; R252-Y256 HydrophobicContact CG-CE2 3.71Å; R252-Y256 WeakPolarHBondContact O-CD2 3.47Å; R252-Y256 PolarHBondContact O-N 3.27Å; D253-Y256 PolarHBondContact O-N 3.05Å; Y256-T258 VanDerWaalsContact C-N 3.33Å; Y256-T258 PolarHBondContact O-N 2.84Å; Y256-A259 PolarHBondContact O-N 3.44Å; Y256-S260 VanDerWaalsContact O-CB 3.24Å; Y256-S260 WeakPolarHBondContact O-CB 3.39Å; Y256-S260 PolarHBondContact O-N 3.29Å; Y256-S260 PolarHBondContact O-OG 3.49Å
257	A	98.4	Very high	97.8	Very high	66 Å²	66	78.1 Å²	78.1	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-44	175.3	0	0	0	0	0	111.5	D253 A254 K261	D253-A257 PolarHBondContact O-N 3.44Å; A254-A257 PolarHBondContact O-N 3.28Å; A257-K261 WeakPolarHBondContact O-CB 3.27Å; A257-K261 PolarHBondContact O-N 3.05Å
258	T	98.1	Very high	97.8	Very high	30 Å²	30	76 Å²	76	18%	0.184	43%	0.427	C	S	.	.	H	α-helix	trans	-63.4	-51.1	176.2	-59	0	0	0	0	111.2	R246 Q250 A254 A255 Y256 K261 V262	R246-T258 HydrophobicContact CG-CG2 4.42Å; Q250-T258 PolarHBondContact NE2-OG1 2.8Å; Q250-T258 VanDerWaalsContact NE2-OG1 3.16Å; Q250-T258 PolarHBondContact OE1-OG1 2.88Å; A254-T258 WeakPolarHBondContact O-CB 3.05Å; A254-T258 PolarHBondContact O-N 2.95Å; A254-T258 PolarHBondContact O-OG1 3.05Å; A255-T258 PolarHBondContact O-N 2.9Å; Y256-T258 VanDerWaalsContact C-N 3.33Å; Y256-T258 PolarHBondContact O-N 2.84Å; T258-K261 PolarHBondContact O-N 3.48Å; T258-V262 WeakPolarHBondContact O-CG2 3.37Å; T258-V262 PolarHBondContact O-N 3.39Å; T258-V262 VanDerWaalsContact O-N 3.09Å
259	A	98.4	Very high	97.8	Very high	32 Å²	32	70.9 Å²	70.9	26%	0.264	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-42.9	-176.5	0	0	0	0	0	112.4	A255 Y256 K261 V262 M263	A255-A259 WeakPolarHBondContact O-CB 3.19Å; A255-A259 PolarHBondContact O-N 3.32Å; Y256-A259 PolarHBondContact O-N 3.44Å; A259-K261 PolarHBondContact O-N 2.88Å; A259-V262 PolarHBondContact O-N 3.18Å; A259-M263 VanDerWaalsContact O-CG 3.3Å; A259-M263 WeakPolarHBondContact O-CG 3.29Å; A259-M263 PolarHBondContact O-N 2.92Å
260	S	98.4	Very high	97.9	Very high	71 Å²	71	69 Å²	69	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-39.9	178.4	-64	0	0	0	0	112.2	Y256 M263 V264	Y256-S260 VanDerWaalsContact O-CB 3.24Å; Y256-S260 WeakPolarHBondContact O-CB 3.39Å; Y256-S260 PolarHBondContact O-N 3.29Å; Y256-S260 PolarHBondContact O-OG 3.49Å; S260-M263 WeakPolarHBondContact O-CB 3.41Å; S260-M263 PolarHBondContact O-N 3.24Å; S260-V264 PolarHBondContact O-N 2.92Å
261	K	97.9	Very high	97.9	Very high	145 Å²	145	66 Å²	66	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-60.6	-47.9	173.5	178.1	174.7	176.9	172.3	0	111.1	A257 T258 A259 M263 V264 D265	A257-K261 WeakPolarHBondContact O-CB 3.27Å; A257-K261 PolarHBondContact O-N 3.05Å; T258-K261 PolarHBondContact O-N 3.48Å; A259-K261 PolarHBondContact O-N 2.88Å; K261-M263 VanDerWaalsContact C-N 3.29Å; K261-M263 PolarHBondContact O-N 3.27Å; K261-V264 WeakPolarHBondContact O-CB 3.47Å; K261-V264 PolarHBondContact O-N 3.07Å; K261-V264 VanDerWaalsContact O-N 3.13Å; K261-D265 PolarHBondContact O-N 3.45Å
262	V	97.8	Very high	97.8	Very high	17 Å²	17	63.9 Å²	63.9	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-36.9	177.9	167.1	0	0	0	0	112	L239 T243 T258 A259 V264 D265 N266	L239-V262 HydrophobicContact CD1-CG1 3.77Å; L239-V262 HydrophobicContact CD2-CG1 3.88Å; L239-V262 HydrophobicContact CG-CG1 3.57Å; T243-V262 HydrophobicContact CG2-CB 3.97Å; T243-V262 HydrophobicContact CG2-CG1 3.98Å; T243-V262 HydrophobicContact CG2-CG2 3.85Å; T243-V262 WeakPolarHBondContact OG1-CG1 3.07Å; T243-V262 WeakPolarHBondContact OG1-CG2 3.1Å; T258-V262 WeakPolarHBondContact O-CG2 3.37Å; T258-V262 PolarHBondContact O-N 3.39Å; T258-V262 VanDerWaalsContact O-N 3.09Å; A259-V262 PolarHBondContact O-N 3.18Å; V262-V264 VanDerWaalsContact C-N 3.3Å; V262-V264 PolarHBondContact O-N 2.9Å; V262-D265 CarbonylContact O-C 3.6Å; V262-D265 PolarHBondContact O-N 3.17Å; V262-N266 WeakPolarHBondContact O-CB 3.49Å; V262-N266 PolarHBondContact O-N 2.93Å
263	M	98.3	Very high	97.8	Very high	123 Å²	123	58.6 Å²	58.6	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-40.9	175	-75.7	-74.5	-64.9	0	0	111.6	A259 S260 K261 N266 L267	A259-M263 VanDerWaalsContact O-CG 3.3Å; A259-M263 WeakPolarHBondContact O-CG 3.29Å; A259-M263 PolarHBondContact O-N 2.92Å; S260-M263 WeakPolarHBondContact O-CB 3.41Å; S260-M263 PolarHBondContact O-N 3.24Å; K261-M263 VanDerWaalsContact C-N 3.29Å; K261-M263 PolarHBondContact O-N 3.27Å; M263-N266 PolarHBondContact O-N 3.19Å; M263-L267 WeakPolarHBondContact O-CG 3.44Å; M263-L267 PolarHBondContact O-N 3.37Å; M263-L267 VanDerWaalsContact O-N 3.08Å
264	V	97.8	Very high	97.8	Very high	96 Å²	96	54.5 Å²	54.5	58%	0.582	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-45.8	173.4	176.9	0	0	0	0	110.7	S260 K261 V262 N266 L267 A268	S260-V264 PolarHBondContact O-N 2.92Å; K261-V264 WeakPolarHBondContact O-CB 3.47Å; K261-V264 PolarHBondContact O-N 3.07Å; K261-V264 VanDerWaalsContact O-N 3.13Å; V262-V264 VanDerWaalsContact C-N 3.3Å; V262-V264 PolarHBondContact O-N 2.9Å; V264-N266 VanDerWaalsContact C-N 3.27Å; V264-N266 PolarHBondContact O-N 3.28Å; V264-L267 WeakPolarHBondContact O-CB 3.17Å; V264-L267 PolarHBondContact O-N 3.4Å; V264-L267 VanDerWaalsContact O-N 3.11Å; V264-A268 PolarHBondContact O-N 2.97Å; V264-A268 VanDerWaalsContact O-N 3.14Å
265	D	95.7	Very high	97.8	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-36.8	176.5	-66.6	-33.3	0	0	0	112	K261 V262 A268	K261-D265 PolarHBondContact O-N 3.45Å; V262-D265 CarbonylContact O-C 3.6Å; V262-D265 PolarHBondContact O-N 3.17Å; D265-A268 WeakPolarHBondContact O-CB 3.38Å; D265-A268 PolarHBondContact O-N 2.97Å
266	N	97.7	Very high	97.8	Very high	34 Å²	34	56 Å²	56	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-41.3	175.5	-165.6	144.9	0	0	0	111.2	L239 V262 M263 V264 A268 L269	L239-N266 HydrophobicContact CD2-CB 3.69Å; V262-N266 WeakPolarHBondContact O-CB 3.49Å; V262-N266 PolarHBondContact O-N 2.93Å; M263-N266 PolarHBondContact O-N 3.19Å; V264-N266 VanDerWaalsContact C-N 3.27Å; V264-N266 PolarHBondContact O-N 3.28Å; N266-A268 PolarHBondContact O-N 3.05Å; N266-L269 WeakPolarHBondContact O-CB 3.31Å; N266-L269 PolarHBondContact O-N 3.5Å; N266-L269 VanDerWaalsContact O-N 3.09Å
267	L	97.5	Very high	97.8	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-28.5	177.3	-71.8	170.5	0	0	0	111.9	M263 V264 L269 Q273 I276	M263-L267 WeakPolarHBondContact O-CG 3.44Å; M263-L267 PolarHBondContact O-N 3.37Å; M263-L267 VanDerWaalsContact O-N 3.08Å; V264-L267 WeakPolarHBondContact O-CB 3.17Å; V264-L267 PolarHBondContact O-N 3.4Å; V264-L267 VanDerWaalsContact O-N 3.11Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.17Å; L267-Q273 PolarHBondContact O-NE2 3.1Å; L267-I276 HydrophobicContact CD2-CD1 3.45Å; L267-I276 VanDerWaalsContact CD2-CD1 3.45Å
268	A	96.6	Very high	97.8	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.033	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	174.7	0	0	0	0	0	112.8	V264 D265 N266 K293 V294	V264-A268 PolarHBondContact O-N 2.97Å; V264-A268 VanDerWaalsContact O-N 3.14Å; D265-A268 WeakPolarHBondContact O-CB 3.38Å; D265-A268 PolarHBondContact O-N 2.97Å; N266-A268 PolarHBondContact O-N 3.05Å; A268-K293 HydrophobicContact CB-CB 4.48Å; A268-K293 HydrophobicContact CB-CD 4.11Å; A268-K293 HydrophobicContact CB-CG 4.23Å; A268-K293 CarbonylContact O-C 3.6Å; A268-K293 WeakPolarHBondContact O-CA 3.33Å; A268-K293 WeakPolarHBondContact O-CB 3.44Å; A268-V294 WeakPolarHBondContact O-CG2 3.46Å; A268-V294 PolarHBondContact O-N 3.13Å
269	L	97.3	Very high	97.8	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-69.2	143.4	177.9	-63.2	175.9	0	0	0	112	P235 V236 L239 N266 L267 D271 G272 Q273 E292 K293	P235-L269 HydrophobicContact CB-CD1 4.42Å; V236-L269 HydrophobicContact CG2-CD1 4.16Å; L239-L269 HydrophobicContact CD2-CD1 4.32Å; N266-L269 WeakPolarHBondContact O-CB 3.31Å; N266-L269 PolarHBondContact O-N 3.5Å; N266-L269 VanDerWaalsContact O-N 3.09Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.17Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 3.47Å; L269-G272 WeakPolarHBondContact O-CA 3.48Å; L269-G272 PolarHBondContact O-N 3.13Å; L269-Q273 PolarHBondContact O-N 3Å; L269-Q273 VanDerWaalsContact O-N 3.09Å; L269-E292 WeakPolarHBondContact CA-O 3.36Å; L269-K293 HydrophobicContact CD2-CG 4.4Å
270	I	97.3	Very high	97.8	Very high	54 Å²	54	60.8 Å²	60.8	28%	0.277	32%	0.317	S	S	.	.	H	α-helix	trans	-53.3	-48.4	171.6	-68.4	179.6	0	0	0	110.7	G272 Q273 E274 E292 V294	I270-G272 PolarHBondContact O-N 3.39Å; I270-Q273 PolarHBondContact O-N 2.93Å; I270-E274 WeakPolarHBondContact O-CB 3.32Å; I270-E274 PolarHBondContact O-N 3.04Å; I270-E292 HydrophobicContact CD1-CB 3.55Å; I270-E292 WeakPolarHBondContact CD1-OE2 3.23Å; I270-E292 HydrophobicContact CG1-CB 4.17Å; I270-E292 PolarHBondContact N-O 3.34Å; I270-V294 HydrophobicContact CB-CG1 4.41Å; I270-V294 HydrophobicContact CG1-CG1 3.78Å
271	D	97.6	Very high	97.8	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.011	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-25.6	178.3	-76.8	2	0	0	0	112.7	S233 V236 L269 G275 W287 S288 H289	S233-D271 VanDerWaalsContact CB-OD2 3.23Å; S233-D271 WeakPolarHBondContact CB-OD2 3.33Å; S233-D271 WeakPolarHBondContact OG-CB 3.38Å; S233-D271 VanDerWaalsContact OG-CG 3.28Å; S233-D271 PolarHBondContact OG-OD2 3.06Å; V236-D271 HydrophobicContact CG2-CB 4.23Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 3.47Å; D271-G275 PolarHBondContact O-N 2.78Å; D271-G275 VanDerWaalsContact O-N 3.11Å; D271-W287 HydrophobicContact CB-CE3 4.11Å; D271-W287 VanDerWaalsContact O-CZ3 3.29Å; D271-W287 WeakPolarHBondContact O-CZ3 3.33Å; D271-S288 WeakPolarHBondContact OD1-CB 3.45Å; D271-S288 PolarHBondContact OD1-N 3.01Å; D271-S288 PolarHBondContact OD1-OG 2.86Å; D271-H289 WeakPolarHBondContact OD2-CA 3.39Å; D271-H289 PolarHBondContact OD2-N 3.34Å
272	G	97.6	Very high	97.8	Very high	9 Å²	9	64.9 Å²	64.9	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-48.1	172.2	0	0	0	0	0	111.6	L269 I270 I276	L269-G272 WeakPolarHBondContact O-CA 3.48Å; L269-G272 PolarHBondContact O-N 3.13Å; I270-G272 PolarHBondContact O-N 3.39Å; G272-I276 WeakPolarHBondContact O-CG1 3.41Å; G272-I276 PolarHBondContact O-N 2.96Å
273	Q	98.2	Very high	97.9	Very high	69 Å²	69	68.4 Å²	68.4	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-41.4	177.7	-67.9	-56.8	-49.5	0	0	112.7	L267 L269 I270 G275 I276 Q277 V294	L267-Q273 PolarHBondContact O-NE2 3.1Å; L269-Q273 PolarHBondContact O-N 3Å; L269-Q273 VanDerWaalsContact O-N 3.09Å; I270-Q273 PolarHBondContact O-N 2.93Å; Q273-G275 VanDerWaalsContact C-N 3.28Å; Q273-G275 PolarHBondContact O-N 3.5Å; Q273-I276 PolarHBondContact O-N 2.82Å; Q273-Q277 WeakPolarHBondContact O-CB 3.44Å; Q273-Q277 PolarHBondContact O-N 3.17Å; Q273-V294 HydrophobicContact CB-CG1 4.47Å; Q273-V294 HydrophobicContact CG-CB 4.46Å; Q273-V294 HydrophobicContact CG-CG1 4.17Å; Q273-V294 HydrophobicContact CG-CG2 3.6Å
274	E	98.3	Very high	97.8	Very high	26 Å²	26	71.3 Å²	71.3	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-58.7	-40.7	176	166.6	56.5	-167.3	0	0	111.7	I270 I276 Q277 A278 R283 P285 V286 W287	I270-E274 WeakPolarHBondContact O-CB 3.32Å; I270-E274 PolarHBondContact O-N 3.04Å; E274-I276 PolarHBondContact O-N 2.88Å; E274-Q277 PolarHBondContact O-N 3.02Å; E274-A278 WeakPolarHBondContact O-CB 3.47Å; E274-A278 PolarHBondContact O-N 3.27Å; E274-R283 IonicContact OE1-CZ 2.66Å; E274-R283 IonicContact OE1-NH1 3.52Å; E274-R283 PolarHBondContact OE1-NH1 3.17Å; E274-R283 IonicContact OE1-NH2 3.61Å; E274-R283 IonicContact OE2-CZ 2.69Å; E274-R283 IonicContact OE2-NH1 3.52Å; E274-R283 IonicContact OE2-NH2 3.5Å; E274-R283 PolarHBondContact OE2-NH2 3.19Å; E274-P285 HydrophobicContact CG-CB 4.21Å; E274-P285 WeakPolarHBondContact OE1-CA 3.38Å; E274-V286 WeakPolarHBondContact CG-O 3.46Å; E274-V286 PolarHBondContact OE1-N 2.97Å; E274-W287 HydrophobicContact CG-CE3 4.11Å; E274-W287 HydrophobicContact CG-CZ3 4.17Å
275	G	97.9	Very high	97.8	Very high	22 Å²	22	69 Å²	69	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-43.8	176.8	0	0	0	0	0	112.5	D271 Q273 F279	D271-G275 PolarHBondContact O-N 2.78Å; D271-G275 VanDerWaalsContact O-N 3.11Å; Q273-G275 VanDerWaalsContact C-N 3.28Å; Q273-G275 PolarHBondContact O-N 3.5Å; G275-F279 WeakPolarHBondContact O-CB 3.3Å; G275-F279 PolarHBondContact O-N 3.34Å; G275-F279 VanDerWaalsContact O-N 3.16Å
276	I	98.4	Very high	97.9	Very high	71 Å²	71	71.8 Å²	71.8	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-48.3	176.6	-67.9	168	0	0	0	110.5	L267 G272 Q273 E274 F279 L280	L267-I276 HydrophobicContact CD2-CD1 3.45Å; L267-I276 VanDerWaalsContact CD2-CD1 3.45Å; G272-I276 WeakPolarHBondContact O-CG1 3.41Å; G272-I276 PolarHBondContact O-N 2.96Å; Q273-I276 PolarHBondContact O-N 2.82Å; E274-I276 PolarHBondContact O-N 2.88Å; I276-F279 WeakPolarHBondContact O-CB 3.32Å; I276-F279 PolarHBondContact O-N 3.43Å; I276-L280 HydrophobicContact CG2-CD1 4Å; I276-L280 HydrophobicContact CG2-CG 4.48Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.91Å
277	Q	98.4	Very high	97.9	Very high	91 Å²	91	73 Å²	73	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-47.5	-179.1	-175.6	174.9	6.2	0	0	111.4	Q273 E274 F279 L280 E281	Q273-Q277 WeakPolarHBondContact O-CB 3.44Å; Q273-Q277 PolarHBondContact O-N 3.17Å; E274-Q277 PolarHBondContact O-N 3.02Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.8Å; Q277-L280 PolarHBondContact O-N 3.5Å; Q277-E281 HydrophobicContact CG-CG 4.34Å; Q277-E281 VanDerWaalsContact CG-OE1 3.23Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 3.22Å; Q277-E281 WeakPolarHBondContact O-CB 3.37Å; Q277-E281 WeakPolarHBondContact O-CG 3.08Å; Q277-E281 PolarHBondContact O-N 3.16Å
278	A	98.5	Very high	97.8	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-39.2	177.7	0	0	0	0	0	112.3	E274 E281 K282 R283 P285	E274-A278 WeakPolarHBondContact O-CB 3.47Å; E274-A278 PolarHBondContact O-N 3.27Å; A278-E281 CarbonylContact O-C 3.49Å; A278-K282 PolarHBondContact O-N 2.88Å; A278-R283 HydrophobicContact CB-CG 4.01Å; A278-R283 PolarHBondContact O-N 3.06Å; A278-P285 HydrophobicContact CB-CB 3.74Å; A278-P285 HydrophobicContact CB-CG 4.48Å
279	F	98.4	Very high	97.7	Very high	167 Å²	167	73.4 Å²	73.4	73%	0.732	36%	0.36	S	S	*	.	H	α-helix	trans	-64	-48.5	175.2	178.3	-95.3	0	0	0	112.1	G275 I276 Q277 E281 K282	G275-F279 WeakPolarHBondContact O-CB 3.3Å; G275-F279 PolarHBondContact O-N 3.34Å; G275-F279 VanDerWaalsContact O-N 3.16Å; I276-F279 WeakPolarHBondContact O-CB 3.32Å; I276-F279 PolarHBondContact O-N 3.43Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.8Å; F279-E281 VanDerWaalsContact C-N 3.28Å; F279-E281 PolarHBondContact O-N 3.28Å; F279-K282 PolarHBondContact O-N 2.75Å
280	L	98.6	Very high	97.3	Very high	129 Å²	129	76.7 Å²	76.7	68%	0.675	37%	0.374	S	S	*	.	H	α-helix	trans	-61.6	-37.7	178.2	-67.8	173.5	0	0	0	112	I276 Q277 K282	I276-L280 HydrophobicContact CG2-CD1 4Å; I276-L280 HydrophobicContact CG2-CG 4.48Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.91Å; Q277-L280 PolarHBondContact O-N 3.5Å; L280-K282 VanDerWaalsContact C-N 3.33Å
281	E	98.4	Very high	96.9	Very high	103 Å²	103	78.5 Å²	78.5	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.9	179.6	-67.3	174	-177.1	0	0	113.6	Q277 A278 F279 R283	Q277-E281 HydrophobicContact CG-CG 4.34Å; Q277-E281 VanDerWaalsContact CG-OE1 3.23Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.47Å; Q277-E281 PolarHBondContact NE2-OE1 3.22Å; Q277-E281 WeakPolarHBondContact O-CB 3.37Å; Q277-E281 WeakPolarHBondContact O-CG 3.08Å; Q277-E281 PolarHBondContact O-N 3.16Å; A278-E281 CarbonylContact O-C 3.49Å; F279-E281 VanDerWaalsContact C-N 3.28Å; F279-E281 PolarHBondContact O-N 3.28Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 HydrophobicContact CB-CG 4.1Å; E281-R283 PolarHBondContact O-N 3.23Å; E281-R283 IonicContact OE2-CZ 3.73Å; E281-R283 IonicContact OE2-NE 2.75Å; E281-R283 PolarHBondContact OE2-NE 3.36Å; E281-R283 IonicContact OE2-NH2 2.63Å
282	K	98.1	Very high	96.6	Very high	199 Å²	199	83 Å²	83	87%	0.865	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.4	-178.3	-57.9	177.6	180	176.2	0	113.8	A278 F279 L280	A278-K282 PolarHBondContact O-N 2.88Å; F279-K282 PolarHBondContact O-N 2.75Å; L280-K282 VanDerWaalsContact C-N 3.33Å
283	R	98.4	Very high	96.4	Very high	91 Å²	91	87.3 Å²	87.3	34%	0.343	43%	0.428	S	S	.	.	S	Bend	trans	-115.3	168.3	175.2	63.3	175.1	178.5	78.3	0.1	111.2	E274 A278 E281	E274-R283 IonicContact OE1-CZ 2.66Å; E274-R283 IonicContact OE1-NH1 3.52Å; E274-R283 PolarHBondContact OE1-NH1 3.17Å; E274-R283 IonicContact OE1-NH2 3.61Å; E274-R283 IonicContact OE2-CZ 2.69Å; E274-R283 IonicContact OE2-NH1 3.52Å; E274-R283 IonicContact OE2-NH2 3.5Å; E274-R283 PolarHBondContact OE2-NH2 3.19Å; A278-R283 HydrophobicContact CB-CG 4.01Å; A278-R283 PolarHBondContact O-N 3.06Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 HydrophobicContact CB-CG 4.1Å; E281-R283 PolarHBondContact O-N 3.23Å; E281-R283 IonicContact OE2-CZ 3.73Å; E281-R283 IonicContact OE2-NE 2.75Å; E281-R283 PolarHBondContact OE2-NE 3.36Å; E281-R283 IonicContact OE2-NH2 2.63Å
284	K	97.6	Very high	96	Very high	184 Å²	184	87.4 Å²	87.4	80%	0.8	43%	0.433	S	S	*	.			trans	-74.8	139.2	169.1	-68.3	-174.4	179.7	-179.4	0	109.4
285	P	97.8	Very high	95.1	Very high	47 Å²	47	91.2 Å²	91.2	31%	0.305	45%	0.451	S	S	.	.			trans	-71.3	150.8	173.9	28.5	-33.4	0	0	0	111.5	E274 A278 W287	E274-P285 HydrophobicContact CG-CB 4.21Å; E274-P285 WeakPolarHBondContact OE1-CA 3.38Å; A278-P285 HydrophobicContact CB-CB 3.74Å; A278-P285 HydrophobicContact CB-CG 4.48Å; P285-W287 HydrophobicContact CB-CD2 4.06Å; P285-W287 HydrophobicContact CB-CE3 3.9Å; P285-W287 HydrophobicContact CB-CH2 3.3Å; P285-W287 HydrophobicContact CB-CZ2 3.46Å; P285-W287 VanDerWaalsContact CB-CZ2 3.46Å; P285-W287 HydrophobicContact CB-CZ3 3.52Å; P285-W287 HydrophobicContact CG-CD2 4.36Å; P285-W287 HydrophobicContact CG-CH2 3.36Å; P285-W287 HydrophobicContact CG-CZ2 3.05Å; P285-W287 HydrophobicContact CG-CZ3 4.1Å
286	V	97.7	Very high	93.8	Very high	115 Å²	115	99.6 Å²	99.6	70%	0.697	49%	0.49	S	S	*	.			trans	-117.9	99	173.6	-178.6	0	0	0	0	108.2	E274	E274-V286 WeakPolarHBondContact CG-O 3.46Å; E274-V286 PolarHBondContact OE1-N 2.97Å
287	W	97	Very high	93.6	Very high	60 Å²	60	101 Å²	101	23%	0.227	50%	0.497	C	S	.	.			trans	-74.6	133.3	-175.3	-48.1	124.3	0	0	0	112.2	Q231 D271 E274 P285 H289	Q231-W287 PolarHBondContact O-NE1 3.1Å; D271-W287 HydrophobicContact CB-CE3 4.11Å; D271-W287 VanDerWaalsContact O-CZ3 3.29Å; D271-W287 WeakPolarHBondContact O-CZ3 3.33Å; E274-W287 HydrophobicContact CG-CE3 4.11Å; E274-W287 HydrophobicContact CG-CZ3 4.17Å; P285-W287 HydrophobicContact CB-CD2 4.06Å; P285-W287 HydrophobicContact CB-CE3 3.9Å; P285-W287 HydrophobicContact CB-CH2 3.3Å; P285-W287 HydrophobicContact CB-CZ2 3.46Å; P285-W287 VanDerWaalsContact CB-CZ2 3.46Å; P285-W287 HydrophobicContact CB-CZ3 3.52Å; P285-W287 HydrophobicContact CG-CD2 4.36Å; P285-W287 HydrophobicContact CG-CH2 3.36Å; P285-W287 HydrophobicContact CG-CZ2 3.05Å; P285-W287 HydrophobicContact CG-CZ3 4.1Å; W287-H289 VanDerWaalsContact C-N 3.3Å; W287-H289 VanDerWaalsContact CB-CE1 3.46Å; W287-H289 WeakPolarHBondContact CB-CE1 3.33Å; W287-H289 AromaticContact CD1-CE1 3.89Å
288	S	95.1	Very high	93.3	Very high	45 Å²	45	101.5 Å²	101.5	32%	0.315	50%	0.5	S	S	.	.			trans	-71.1	-28.9	168.5	69.3	0	0	0	0	112	D271 K290	D271-S288 WeakPolarHBondContact OD1-CB 3.45Å; D271-S288 PolarHBondContact OD1-N 3.01Å; D271-S288 PolarHBondContact OD1-OG 2.86Å; S288-K290 PolarHBondContact O-N 3Å; S288-K290 PolarHBondContact OG-N 2.87Å
289	H	94.5	Very high	93	Very high	43 Å²	43	107.2 Å²	107.2	20%	0.199	53%	0.528	C	S	.	.			trans	62.2	12.4	-172.1	-56.7	-58.8	0	0	0	115.3	R81 R234 P235 D271 W287	R81-H289 PolarHBondContact NE-CE1 3.15Å; R81-H289 PolarHBondContact NH2-CD2 3.27Å; R81-H289 PolarHBondContact NH2-NE2 3.12Å; R234-H289 HydrophobicContact CB-CB 4.5Å; P235-H289 WeakPolarHBondContact CD-O 3.28Å; D271-H289 WeakPolarHBondContact OD2-CA 3.39Å; D271-H289 PolarHBondContact OD2-N 3.34Å; W287-H289 VanDerWaalsContact C-N 3.3Å; W287-H289 VanDerWaalsContact CB-CE1 3.46Å; W287-H289 WeakPolarHBondContact CB-CE1 3.33Å; W287-H289 AromaticContact CD1-CE1 3.89Å
290	K	89.3	Confident	92.7	Very high	84 Å²	84	103.6 Å²	103.6	37%	0.365	52%	0.516	S	S	.	.	S	Bend	trans	-102	146.6	179	-60.9	-174.8	-178.3	-178.7	0	111	P235 S288 E292	P235-K290 WeakPolarHBondContact CG-O 3.41Å; S288-K290 PolarHBondContact O-N 3Å; S288-K290 PolarHBondContact OG-N 2.87Å; K290-E292 HydrophobicContact CB-CB 4.43Å; K290-E292 HydrophobicContact CB-CG 4.07Å; K290-E292 WeakPolarHBondContact CD-OE1 3.37Å; K290-E292 IonicContact NZ-OE1 2.8Å; K290-E292 PolarHBondContact O-N 3.02Å
291	S	89.3	Confident	92.3	Very high	91 Å²	91	102.1 Å²	102.1	64%	0.636	51%	0.506	S	S	*	.			trans	-77.9	23.3	176	-53.7	0	0	0	0	113.2
292	E	92.3	Very high	91.9	Very high	98 Å²	98	102 Å²	102	46%	0.458	51%	0.508	S	S	.	.			trans	-73.1	145.5	179.8	-71.6	172.7	-164.8	0	0	110.6	L269 I270 K290	L269-E292 WeakPolarHBondContact CA-O 3.36Å; I270-E292 HydrophobicContact CD1-CB 3.55Å; I270-E292 WeakPolarHBondContact CD1-OE2 3.23Å; I270-E292 HydrophobicContact CG1-CB 4.17Å; I270-E292 PolarHBondContact N-O 3.34Å; K290-E292 HydrophobicContact CB-CB 4.43Å; K290-E292 HydrophobicContact CB-CG 4.07Å; K290-E292 WeakPolarHBondContact CD-OE1 3.37Å; K290-E292 IonicContact NZ-OE1 2.8Å; K290-E292 PolarHBondContact O-N 3.02Å
293	K	92.3	Very high	91.5	Very high	98 Å²	98	95.1 Å²	95.1	43%	0.426	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-107.4	148.1	179.9	-65.5	-177.9	168.9	-167.6	0	112	A268 L269 H295 D296	A268-K293 HydrophobicContact CB-CB 4.48Å; A268-K293 HydrophobicContact CB-CD 4.11Å; A268-K293 HydrophobicContact CB-CG 4.23Å; A268-K293 CarbonylContact O-C 3.6Å; A268-K293 WeakPolarHBondContact O-CA 3.33Å; A268-K293 WeakPolarHBondContact O-CB 3.44Å; L269-K293 HydrophobicContact CD2-CG 4.4Å; K293-H295 WeakPolarHBondContact CB-O 3.32Å; K293-D296 PolarHBondContact NZ-OXT 3.41Å
294	V	90.1	Very high	91	Very high	71 Å²	71	95.4 Å²	95.4	43%	0.43	49%	0.493	S	S	.	.	S	Bend	trans	-82.3	-18.2	172.5	-71	0	0	0	0	113.3	A268 I270 Q273	A268-V294 WeakPolarHBondContact O-CG2 3.46Å; A268-V294 PolarHBondContact O-N 3.13Å; I270-V294 HydrophobicContact CB-CG1 4.41Å; I270-V294 HydrophobicContact CG1-CG1 3.78Å; Q273-V294 HydrophobicContact CB-CG1 4.47Å; Q273-V294 HydrophobicContact CG-CB 4.46Å; Q273-V294 HydrophobicContact CG-CG1 4.17Å; Q273-V294 HydrophobicContact CG-CG2 3.6Å
295	H	79.3	Confident	90.4	Very high	106 Å²	106	88 Å²	88	49%	0.491	47%	0.467	S	S	.	.			trans	-161.2	163.1	174.1	49.7	-91.2	0	0	0	109.6	K293	K293-H295 WeakPolarHBondContact CB-O 3.32Å
296	D	70.4	Confident	89.7	Confident	198 Å²	198	91.7 Å²	91.7	100%	1.059	48%	0.482	S	S	*	.			trans	-63.7	0	-180	-73.9	-33.8	0	0	0	113.4	K293	K293-D296 PolarHBondContact NZ-OXT 3.41Å

Retrieved 296 of 296 residues in 312.3 ms (Link to these results)

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