A0A3B3VRZ6_9TELE Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A3B3VRZ6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 372 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	43.6	Very low	249 Å²	249	175 Å²	175	100%	1.227	84%	0.837	S	S	*	*				0	123.3	0	-66.7	175	169.6	0	0	106.1
2	D	40.7	Very low	43.8	Very low	121 Å²	121	163.8 Å²	163.8	65%	0.647	80%	0.803	S	S	*	*			cis	-152.1	127.6	4.8	-175.6	16.5	0	0	0	104.6	R4	D2-R4 IonicContact OD2-CZ 3.91Å; D2-R4 IonicContact OD2-NE 3.23Å; D2-R4 PolarHBondContact OD2-NE 3.23Å; D2-R4 IonicContact OD2-NH2 3.65Å
3	N	38.9	Very low	44.3	Very low	168 Å²	168	155.9 Å²	155.9	90%	0.898	78%	0.78	S	S	*	*			trans	-101.6	101.5	-175.3	-133.7	2.5	0	0	0	106.9
4	R	39.6	Very low	44.9	Very low	207 Å²	207	151.4 Å²	151.4	78%	0.781	76%	0.764	S	S	*	*			trans	-115.1	127.6	173.6	-68.4	-166.9	-162.4	-166.6	4.3	111.2	D2	D2-R4 IonicContact OD2-CZ 3.91Å; D2-R4 IonicContact OD2-NE 3.23Å; D2-R4 PolarHBondContact OD2-NE 3.23Å; D2-R4 IonicContact OD2-NH2 3.65Å
5	P	44.9	Very low	45.4	Very low	125 Å²	125	154 Å²	154	81%	0.812	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-85.5	137.3	170.6	33	-29.4	0	0	0	111.1
6	V	46.8	Very low	45.9	Very low	136 Å²	136	151.7 Å²	151.7	82%	0.824	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-77.7	134.6	171.6	178.1	0	0	0	0	109.7	R8	V6-R8 PolarHBondContact O-N 3.43Å
7	P	41.8	Very low	46.4	Very low	119 Å²	119	150.1 Å²	150.1	77%	0.773	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-79.2	120	178.3	30.4	-30.8	0	0	0	111.1	R9	P7-R9 PolarHBondContact O-N 3.16Å
8	R	46.6	Very low	46.8	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	73%	0.732	S	S	*	*			trans	-71.1	115.4	166.4	-87	-177.9	173.1	176.8	-1.9	109.6	V6 R10	V6-R8 PolarHBondContact O-N 3.43Å; R8-R10 PolarHBondContact O-N 3.34Å; R8-R10 VanDerWaalsContact O-N 3.16Å
9	R	45.7	Very low	47.2	Very low	224 Å²	224	146.2 Å²	146.2	85%	0.845	72%	0.723	S	S	*	*			trans	-53.8	112.8	170	-90.8	177.5	169.6	176.7	-3.6	110.8	P7 T11	P7-R9 PolarHBondContact O-N 3.16Å; R9-T11 VanDerWaalsContact C-N 3.27Å; R9-T11 HydrophobicContact CB-CG2 4.24Å; R9-T11 PolarHBondContact O-N 3.46Å; R9-T11 VanDerWaalsContact O-N 3.09Å
10	R	49.8	Very low	47.6	Very low	235 Å²	235	144.8 Å²	144.8	89%	0.887	72%	0.717	S	S	*	*			trans	-77.5	72.9	163.9	-80	-177.8	172.3	178.3	-2	109.7	R8	R8-R10 PolarHBondContact O-N 3.34Å; R8-R10 VanDerWaalsContact O-N 3.16Å
11	T	48.8	Very low	47.9	Very low	98 Å²	98	140 Å²	140	60%	0.601	70%	0.701	S	S	*	*			trans	-100.9	-2	175.5	44.4	0	0	0	0	113.8	R9	R9-T11 VanDerWaalsContact C-N 3.27Å; R9-T11 HydrophobicContact CB-CG2 4.24Å; R9-T11 PolarHBondContact O-N 3.46Å; R9-T11 VanDerWaalsContact O-N 3.09Å
12	G	45.7	Very low	48.7	Very low	41 Å²	41	132.1 Å²	132.1	42%	0.423	67%	0.669	S	S	.	*	H	α-helix	trans	-85.6	-39.3	-179.4	0	0	0	0	0	115.1	H16	G12-H16 PolarHBondContact O-CD2 3.09Å; G12-H16 PolarHBondContact O-N 2.94Å
13	A	49.6	Very low	49.3	Very low	61 Å²	61	131 Å²	131	50%	0.504	67%	0.667	S	S	.	*	H	α-helix	trans	-71.5	-36.9	-170.7	0	0	0	0	0	113.5	H16 L17	A13-H16 PolarHBondContact O-N 2.94Å; A13-L17 PolarHBondContact O-N 2.85Å; A13-L17 VanDerWaalsContact O-N 3.11Å
14	V	53.5	Low	49.9	Very low	93 Å²	93	127.6 Å²	127.6	56%	0.564	65%	0.652	S	S	*	*	H	α-helix	trans	-71.1	-34.5	-178.9	-176.7	0	0	0	0	111.4	L18	V14-L18 HydrophobicContact CG1-CD1 3.9Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 WeakPolarHBondContact O-CD1 3.47Å; V14-L18 PolarHBondContact O-N 3.05Å
15	R	52.7	Low	50.3	Low	190 Å²	190	123.4 Å²	123.4	72%	0.717	64%	0.644	S	S	*	*	H	α-helix	trans	-67.4	-39.6	175.9	-105.6	-179.9	170.1	-179.9	-3.1	112.4	Q19	R15-Q19 WeakPolarHBondContact O-CB 3.39Å; R15-Q19 WeakPolarHBondContact O-CG 2.83Å; R15-Q19 PolarHBondContact O-N 3.26Å
16	H	52.8	Low	50.3	Low	117 Å²	117	120.1 Å²	120.1	54%	0.542	63%	0.627	S	S	.	*	H	α-helix	trans	-71.5	-37.1	177.2	-75.2	-58.9	0	0	0	112.8	G12 A13 Q19 L20	G12-H16 PolarHBondContact O-CD2 3.09Å; G12-H16 PolarHBondContact O-N 2.94Å; A13-H16 PolarHBondContact O-N 2.94Å; H16-Q19 PolarHBondContact O-N 2.87Å; H16-L20 WeakPolarHBondContact O-CB 3.28Å; H16-L20 WeakPolarHBondContact O-CD1 3.1Å; H16-L20 PolarHBondContact O-N 2.66Å
17	L	54.3	Low	50	Low	125 Å²	125	117.9 Å²	117.9	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-67	-39.4	174.5	-80.9	158.6	0	0	0	112.5	A13 A21	A13-L17 PolarHBondContact O-N 2.85Å; A13-L17 VanDerWaalsContact O-N 3.11Å; L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.23Å; L17-A21 PolarHBondContact O-N 2.8Å
18	L	53.8	Low	50	Low	108 Å²	108	115.9 Å²	115.9	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-67.6	-37.7	173.9	-83	158.2	0	0	0	112.5	V14 C22	V14-L18 HydrophobicContact CG1-CD1 3.9Å; V14-L18 WeakPolarHBondContact O-CB 3.43Å; V14-L18 WeakPolarHBondContact O-CD1 3.47Å; V14-L18 PolarHBondContact O-N 3.05Å; L18-C22 WeakPolarHBondContact O-CB 3.31Å; L18-C22 PolarHBondContact O-N 2.94Å; L18-C22 PolarHBondContact O-SG 2.79Å
19	Q	54.5	Low	49.7	Very low	118 Å²	118	108.2 Å²	108.2	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-68.9	-41.5	175.5	-78.1	-179.1	-22	0	0	112.3	R15 H16 C22 V23	R15-Q19 WeakPolarHBondContact O-CB 3.39Å; R15-Q19 WeakPolarHBondContact O-CG 2.83Å; R15-Q19 PolarHBondContact O-N 3.26Å; H16-Q19 PolarHBondContact O-N 2.87Å; Q19-C22 PolarHBondContact O-N 2.89Å; Q19-V23 VanDerWaalsContact O-CG2 3.29Å; Q19-V23 WeakPolarHBondContact O-CG2 3.36Å; Q19-V23 PolarHBondContact O-N 3.35Å
20	L	54.5	Low	49.4	Very low	117 Å²	117	104.9 Å²	104.9	61%	0.613	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-39.2	173.7	-97.9	115.5	0	0	0	112.1	H16 V23 V24	H16-L20 WeakPolarHBondContact O-CB 3.28Å; H16-L20 WeakPolarHBondContact O-CD1 3.1Å; H16-L20 PolarHBondContact O-N 2.66Å; L20-V23 PolarHBondContact O-N 3.26Å; L20-V24 WeakPolarHBondContact O-CB 3.27Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.27Å; L20-V24 PolarHBondContact O-N 2.94Å
21	A	55.4	Low	48.8	Very low	45 Å²	45	100.7 Å²	100.7	37%	0.372	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-40.7	175.1	0	0	0	0	0	112.1	L17 V24 L25	L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.23Å; L17-A21 PolarHBondContact O-N 2.8Å; A21-V24 PolarHBondContact O-N 2.85Å; A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.43Å; A21-L25 WeakPolarHBondContact O-CD1 3.48Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.43Å
22	C	51.8	Low	48.2	Very low	83 Å²	83	102.7 Å²	102.7	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-67.2	-36.4	174.4	-78.6	0	0	0	0	112.8	L18 Q19 A26	L18-C22 WeakPolarHBondContact O-CB 3.31Å; L18-C22 PolarHBondContact O-N 2.94Å; L18-C22 PolarHBondContact O-SG 2.79Å; Q19-C22 PolarHBondContact O-N 2.89Å; C22-A26 WeakPolarHBondContact O-CB 3.46Å; C22-A26 PolarHBondContact O-N 2.92Å
23	V	53.1	Low	47.7	Very low	99 Å²	99	107.3 Å²	107.3	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-69.8	-39.4	175.2	172.5	0	0	0	0	110.8	Q19 L20 C27	Q19-V23 VanDerWaalsContact O-CG2 3.29Å; Q19-V23 WeakPolarHBondContact O-CG2 3.36Å; Q19-V23 PolarHBondContact O-N 3.35Å; L20-V23 PolarHBondContact O-N 3.26Å; V23-C27 WeakPolarHBondContact O-CB 3.4Å; V23-C27 PolarHBondContact O-N 3Å
24	V	51.9	Low	47.2	Very low	95 Å²	95	110.1 Å²	110.1	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-68.9	-41.5	175.8	174.2	0	0	0	0	111.2	L20 A21 C27 S28	L20-V24 WeakPolarHBondContact O-CB 3.27Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.27Å; L20-V24 PolarHBondContact O-N 2.94Å; A21-V24 PolarHBondContact O-N 2.85Å; V24-C27 PolarHBondContact O-N 3.42Å; V24-S28 WeakPolarHBondContact O-CB 3.29Å; V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.03Å
25	L	49	Very low	46.7	Very low	120 Å²	120	112 Å²	112	63%	0.628	61%	0.609	S	S	*	*	H	α-helix	trans	-68.2	-34.4	175.3	-78	160.5	0	0	0	113	A21 S28 S29	A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.43Å; A21-L25 WeakPolarHBondContact O-CD1 3.48Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.43Å; L25-S28 WeakPolarHBondContact CA-OG 3.44Å; L25-S28 PolarHBondContact O-OG 3.11Å; L25-S28 VanDerWaalsContact O-OG 3.13Å; L25-S29 PolarHBondContact O-N 3.35Å; L25-S29 PolarHBondContact O-OG 2.93Å
26	A	45.2	Very low	46.7	Very low	55 Å²	55	104.2 Å²	104.2	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-75.8	-24.4	172.8	0	0	0	0	0	112.8	C22 S29	C22-A26 WeakPolarHBondContact O-CB 3.46Å; C22-A26 PolarHBondContact O-N 2.92Å; A26-S29 WeakPolarHBondContact CA-OG 3.49Å; A26-S29 PolarHBondContact O-OG 3.4Å
27	C	40.1	Very low	47.5	Very low	89 Å²	89	101.3 Å²	101.3	60%	0.601	58%	0.575	S	S	*	*	H	α-helix	trans	-86	-28.8	176.4	-155.1	0	0	0	0	112	V23 V24 S29 Q30	V23-C27 WeakPolarHBondContact O-CB 3.4Å; V23-C27 PolarHBondContact O-N 3Å; V24-C27 PolarHBondContact O-N 3.42Å; C27-S29 VanDerWaalsContact C-N 3.29Å; C27-S29 PolarHBondContact O-N 3.21Å; C27-Q30 PolarHBondContact O-N 2.96Å
28	S	41.2	Very low	49	Very low	78 Å²	78	95.9 Å²	95.9	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-75.6	-13.4	172.3	49	0	0	0	0	114.2	V24 L25	V24-S28 WeakPolarHBondContact O-CB 3.29Å; V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.03Å; L25-S28 WeakPolarHBondContact CA-OG 3.44Å; L25-S28 PolarHBondContact O-OG 3.11Å; L25-S28 VanDerWaalsContact O-OG 3.13Å
29	S	40.2	Very low	50.8	Low	82 Å²	82	91.2 Å²	91.2	57%	0.573	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	4.8	175.7	44	0	0	0	0	113.8	L25 A26 C27	L25-S29 PolarHBondContact O-N 3.35Å; L25-S29 PolarHBondContact O-OG 2.93Å; A26-S29 WeakPolarHBondContact CA-OG 3.49Å; A26-S29 PolarHBondContact O-OG 3.4Å; C27-S29 VanDerWaalsContact C-N 3.29Å; C27-S29 PolarHBondContact O-N 3.21Å
30	Q	39.9	Very low	52.6	Low	153 Å²	153	86 Å²	86	72%	0.715	50%	0.497	S	S	*	.			trans	-109.3	20.3	174.6	-69.9	-170.6	-1.8	0	0	114.6	C27 L32	C27-Q30 PolarHBondContact O-N 2.96Å; Q30-L32 PolarHBondContact O-N 2.92Å
31	L	36.8	Very low	54.3	Low	147 Å²	147	80.5 Å²	80.5	77%	0.77	47%	0.468	S	S	*	.			trans	-72.2	67.8	140.6	-77.8	163.5	0	0	0	107.3	M33	L31-M33 PolarHBondContact O-N 2.94Å
32	L	36.5	Very low	56	Low	141 Å²	141	78.4 Å²	78.4	74%	0.738	45%	0.451	S	S	*	.			trans	-60.1	93.5	151.9	-77.1	165.9	0	0	0	104	Q30 V34	Q30-L32 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.5Å
33	M	34.3	Very low	57.8	Low	137 Å²	137	74.5 Å²	74.5	68%	0.675	43%	0.425	S	S	*	.			trans	-48.7	101.8	149.4	-68.9	-74.1	-172.8	0	0	103.3	L31 E35	L31-M33 PolarHBondContact O-N 2.94Å; M33-E35 PolarHBondContact O-N 2.92Å
34	V	39.1	Very low	59.4	Low	120 Å²	120	72.6 Å²	72.6	73%	0.727	41%	0.411	S	S	*	.			trans	-64.1	88.2	163	176.8	0	0	0	0	102.6	L32 A36	L32-V34 PolarHBondContact O-N 3.5Å; V34-A36 PolarHBondContact O-N 3.49Å
35	E	44	Very low	60.8	Low	132 Å²	132	71 Å²	71	62%	0.617	40%	0.401	S	S	*	.			trans	-58.3	101.6	167.2	-78.8	-173.4	170.7	0	0	104.4	M33 N37	M33-E35 PolarHBondContact O-N 2.92Å; E35-N37 PolarHBondContact O-N 2.81Å
36	A	52.4	Low	62.1	Low	27 Å²	27	69.9 Å²	69.9	22%	0.223	40%	0.401	C	S	.	.			trans	-73.3	67.9	178.4	0	0	0	0	0	107.7	V34 S38 S114	V34-A36 PolarHBondContact O-N 3.49Å; A36-S38 PolarHBondContact O-N 2.04Å; A36-S114 VanDerWaalsContact O-CA 3.28Å; A36-S114 WeakPolarHBondContact O-CA 3.34Å; A36-S114 WeakPolarHBondContact O-CB 3.35Å
37	N	69.4	Low	63.8	Low	57 Å²	57	68.8 Å²	68.8	31%	0.305	39%	0.388	S	S	.	.			trans	-61.9	117.5	175.5	-81.6	-42.5	0	0	0	107.7	E35 T113 K192	E35-N37 PolarHBondContact O-N 2.81Å; N37-T113 WeakPolarHBondContact OD1-CB 3.13Å; N37-K192 PolarHBondContact O-NZ 3.45Å
38	S	86	Confident	65	Low	11 Å²	11	72.5 Å²	72.5	8%	0.077	40%	0.396	C	S	.	.			trans	-122	142.7	-179.4	-172.1	0	0	0	0	110.4	A36 W40 S41 G66 T113	A36-S38 PolarHBondContact O-N 2.04Å; S38-W40 PolarHBondContact O-N 3.16Å; S38-W40 VanDerWaalsContact O-N 3.11Å; S38-W40 VanDerWaalsContact OG-CE3 3.23Å; S38-S41 WeakPolarHBondContact O-CB 3.39Å; S38-S41 PolarHBondContact O-N 3.49Å; S38-S41 PolarHBondContact O-OG 2.04Å; S38-G66 CarbonylContact C-O 3.58Å; S38-G66 VanDerWaalsContact C-O 3.3Å; S38-G66 WeakPolarHBondContact O-CA 3.42Å; S38-T113 PolarHBondContact N-O 3.32Å
39	W	91.7	Very high	66	Low	9 Å²	9	74.8 Å²	74.8	3%	0.034	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-62	-17.8	176.1	73.6	-92.3	0	0	0	112.4	S41 L42 G66 L67 Q71 I85 A89 V138 F188 V189	W39-S41 PolarHBondContact O-N 3.03Å; W39-S41 VanDerWaalsContact O-N 3.13Å; W39-L42 VanDerWaalsContact O-CB 3.32Å; W39-L42 WeakPolarHBondContact O-CB 3.48Å; W39-L42 WeakPolarHBondContact O-CG 3.33Å; W39-L42 PolarHBondContact O-N 2.89Å; W39-L42 VanDerWaalsContact O-N 3.13Å; W39-G66 PolarHBondContact N-O 3.46Å; W39-G66 VanDerWaalsContact N-O 3.14Å; W39-L67 HydrophobicContact CB-CD2 3.98Å; W39-Q71 VanDerWaalsContact CD1-NE2 3.31Å; W39-I85 HydrophobicContact CE3-CG2 3.89Å; W39-I85 HydrophobicContact CZ3-CG2 3.89Å; W39-A89 HydrophobicContact CE3-CB 4.42Å; W39-A89 HydrophobicContact CH2-CB 4.48Å; W39-A89 HydrophobicContact CZ3-CB 3.78Å; W39-V138 HydrophobicContact CH2-CG2 3.42Å; W39-V138 VanDerWaalsContact CH2-CG2 3.42Å; W39-V138 HydrophobicContact CZ3-CG2 3.58Å; W39-F188 HydrophobicContact CB-CE1 4.4Å; W39-F188 HydrophobicContact CD2-CE1 4.04Å; W39-F188 AromaticContact CE3-CE1 3.93Å; W39-F188 HydrophobicContact CE3-CE1 3.93Å; W39-F188 HydrophobicContact CG-CE1 4.24Å; W39-V189 HydrophobicContact CH2-CG2 4.15Å; W39-V189 HydrophobicContact CZ2-CB 4.41Å; W39-V189 HydrophobicContact CZ2-CG1 3.78Å; W39-V189 HydrophobicContact CZ2-CG2 3.88Å
40	W	91.9	Very high	66.6	Low	10 Å²	10	75.8 Å²	75.8	4%	0.038	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-56.8	-25.2	171.8	-61.6	-35.3	0	0	0	113.1	S38 L42 G43 V115 F116 M120 T130 Y131 S134	S38-W40 PolarHBondContact O-N 3.16Å; S38-W40 VanDerWaalsContact O-N 3.11Å; S38-W40 VanDerWaalsContact OG-CE3 3.23Å; W40-L42 PolarHBondContact O-N 3.16Å; W40-L42 VanDerWaalsContact O-N 3.14Å; W40-G43 PolarHBondContact O-N 3.24Å; W40-V115 HydrophobicContact CB-CB 4.01Å; W40-V115 HydrophobicContact CB-CG1 4.38Å; W40-V115 HydrophobicContact CB-CG2 3.65Å; W40-F116 HydrophobicContact CD2-CD2 4.12Å; W40-F116 AromaticContact CD2-CE2 3.97Å; W40-F116 HydrophobicContact CD2-CE2 3.97Å; W40-F116 AromaticContact CE3-CD2 3.52Å; W40-F116 HydrophobicContact CE3-CD2 3.52Å; W40-F116 AromaticContact CE3-CE2 3.87Å; W40-F116 HydrophobicContact CE3-CE2 3.87Å; W40-F116 HydrophobicContact CG-CE2 4.31Å; W40-F116 AromaticContact CZ3-CD2 3.86Å; W40-F116 HydrophobicContact CZ3-CD2 3.86Å; W40-F116 HydrophobicContact CZ3-CE2 4.44Å; W40-M120 HydrophobicContact CH2-CE 3.25Å; W40-M120 HydrophobicContact CZ2-CE 4.25Å; W40-M120 HydrophobicContact CZ3-CB 4.37Å; W40-M120 HydrophobicContact CZ3-CE 3.57Å; W40-M120 HydrophobicContact CZ3-CG 3.91Å; W40-M120 HydrophobicContact CZ3-SD 4.44Å; W40-T130 HydrophobicContact CH2-CG2 4.11Å; W40-T130 HydrophobicContact CZ2-CG2 4.12Å; W40-T130 HydrophobicContact CZ3-CG2 4.41Å; W40-Y131 AromaticContact CH2-CD2 3.95Å; W40-Y131 HydrophobicContact CH2-CD2 3.95Å; W40-Y131 AromaticContact CH2-CE2 3.6Å; W40-Y131 HydrophobicContact CH2-CE2 3.6Å; W40-Y131 AromaticContact CZ2-CD2 4Å; W40-Y131 HydrophobicContact CZ2-CD2 4Å; W40-Y131 HydrophobicContact CZ2-CE1 4.46Å; W40-Y131 AromaticContact CZ2-CE2 3.99Å; W40-Y131 HydrophobicContact CZ2-CE2 3.99Å; W40-Y131 HydrophobicContact CZ2-CG 4.29Å; W40-S134 VanDerWaalsContact NE1-CB 3.29Å; W40-S134 PolarHBondContact NE1-OG 2.93Å
41	S	91.1	Very high	67.1	Low	1 Å²	1	77.9 Å²	77.9	1%	0.007	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-56.8	-26.7	177	55.4	0	0	0	0	113.1	S38 W39 G43 L44 T45 S112 V115	S38-S41 WeakPolarHBondContact O-CB 3.39Å; S38-S41 PolarHBondContact O-N 3.49Å; S38-S41 PolarHBondContact O-OG 2.04Å; W39-S41 PolarHBondContact O-N 3.03Å; W39-S41 VanDerWaalsContact O-N 3.13Å; S41-G43 PolarHBondContact O-N 3.45Å; S41-G43 VanDerWaalsContact O-N 3.1Å; S41-L44 PolarHBondContact O-N 3.23Å; S41-T45 PolarHBondContact O-N 3.24Å; S41-T45 PolarHBondContact O-OG1 3.44Å; S41-S112 WeakPolarHBondContact CB-O 3.45Å; S41-V115 VanDerWaalsContact N-CG2 3.32Å
42	L	90.4	Very high	67.7	Low	1 Å²	1	78 Å²	78	1%	0.005	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-58.7	-21.8	172.6	-58.4	179.6	0	0	0	113.1	W39 W40 L44 T45 I47 L64 L67 M82 I85 G86	W39-L42 VanDerWaalsContact O-CB 3.32Å; W39-L42 WeakPolarHBondContact O-CB 3.48Å; W39-L42 WeakPolarHBondContact O-CG 3.33Å; W39-L42 PolarHBondContact O-N 2.89Å; W39-L42 VanDerWaalsContact O-N 3.13Å; W40-L42 PolarHBondContact O-N 3.16Å; W40-L42 VanDerWaalsContact O-N 3.14Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-T45 VanDerWaalsContact O-O 3.14Å; L42-I47 HydrophobicContact CB-CD1 4.39Å; L42-I47 HydrophobicContact CD2-CD1 4.1Å; L42-L64 HydrophobicContact CD2-CB 4.22Å; L42-L64 HydrophobicContact CD2-CD1 4.27Å; L42-L64 HydrophobicContact CD2-CD2 3.88Å; L42-L64 HydrophobicContact CD2-CG 4.33Å; L42-L67 HydrophobicContact CD1-CD2 4.03Å; L42-M82 HydrophobicContact CD1-CE 3.74Å; L42-I85 HydrophobicContact CD1-CG2 3.94Å; L42-G86 WeakPolarHBondContact O-CA 2.98Å
43	G	89.4	Confident	68.3	Low	1 Å²	1	82.6 Å²	82.6	1%	0.01	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-77.9	-16	174.8	0	0	0	0	0	114.3	W40 S41 G86 R90	W40-G43 PolarHBondContact O-N 3.24Å; S41-G43 PolarHBondContact O-N 3.45Å; S41-G43 VanDerWaalsContact O-N 3.1Å; G43-G86 WeakPolarHBondContact CA-O 3.37Å; G43-R90 WeakPolarHBondContact O-CB 3.41Å; G43-R90 WeakPolarHBondContact O-CG 3.07Å; G43-R90 PolarHBondContact O-NE 3.06Å; G43-R90 PolarHBondContact O-NH1 3.45Å
44	L	87.2	Confident	69.3	Low	58 Å²	58	82 Å²	82	30%	0.304	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-37.1	-179.4	-59.5	-176.3	0	0	0	111.5	S41 L42 I93 T109 V115	S41-L44 PolarHBondContact O-N 3.23Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L44-I93 HydrophobicContact CD2-CD1 4.27Å; L44-T109 HydrophobicContact CD2-CG2 4.26Å; L44-V115 HydrophobicContact CD1-CB 4.43Å; L44-V115 HydrophobicContact CD1-CG1 4.24Å; L44-V115 HydrophobicContact CD1-CG2 3.88Å; L44-V115 HydrophobicContact CG-CG2 4.35Å
45	T	82	Confident	69.6	Low	62 Å²	62	84.7 Å²	84.7	38%	0.38	42%	0.421	S	S	.	.	S	Bend	trans	-95.9	117.7	178.2	49.9	0	0	0	0	110.8	S41 L42 I47	S41-T45 PolarHBondContact O-N 3.24Å; S41-T45 PolarHBondContact O-OG1 3.44Å; L42-T45 VanDerWaalsContact O-O 3.14Å; T45-I47 PolarHBondContact O-N 3.32Å
46	P	75.5	Confident	69.9	Low	97 Å²	97	82.2 Å²	82.2	63%	0.63	43%	0.431	S	S	*	.			trans	-60.8	125.3	173.7	-18.2	30.4	0	0	0	110.3	Q48	P46-Q48 PolarHBondContact O-N 3.18Å
47	I	80.1	Confident	70.3	Confident	32 Å²	32	84.1 Å²	84.1	16%	0.164	45%	0.447	C	S	.	.			trans	-81.6	102.6	173.6	-58.9	169.5	0	0	0	106.7	L42 T45 R49 L60 L64 M82	L42-I47 HydrophobicContact CB-CD1 4.39Å; L42-I47 HydrophobicContact CD2-CD1 4.1Å; T45-I47 PolarHBondContact O-N 3.32Å; I47-R49 PolarHBondContact O-N 3.31Å; I47-L60 HydrophobicContact CG2-CD1 4.04Å; I47-L64 HydrophobicContact CD1-CD2 4.3Å; I47-L64 HydrophobicContact CG1-CD2 4.1Å; I47-M82 HydrophobicContact CD1-CB 4.27Å; I47-M82 WeakPolarHBondContact CD1-O 3.07Å
48	Q	66.6	Low	69.8	Low	166 Å²	166	87.4 Å²	87.4	78%	0.776	46%	0.461	S	S	*	.			trans	-69.3	125.3	173.3	-69.7	179.4	-19	0	0	108.5	P46 P50	P46-Q48 PolarHBondContact O-N 3.18Å; Q48-P50 WeakPolarHBondContact O-CD 3.02Å
49	R	60.7	Low	69.2	Low	127 Å²	127	91.4 Å²	91.4	48%	0.479	49%	0.486	S	S	.	.			trans	-75.2	110.6	165	-69.9	-174	-175.6	177	5.6	106.5	I47 E51 S83 Y84 E150	I47-R49 PolarHBondContact O-N 3.31Å; R49-E51 PolarHBondContact O-N 3.45Å; R49-E51 VanDerWaalsContact O-N 3.15Å; R49-S83 PolarHBondContact NH2-OG 3.37Å; R49-Y84 PolarHBondContact NH2-OH 3.25Å; R49-E150 IonicContact CZ-OE2 3.59Å; R49-E150 IonicContact NH1-OE2 3.96Å; R49-E150 PolarHBondContact NH1-OE2 3.04Å; R49-E150 IonicContact NH2-OE2 3.78Å
50	P	54.4	Low	68.8	Low	102 Å²	102	92.7 Å²	92.7	66%	0.662	49%	0.494	S	S	*	.			trans	-66.4	117	169.8	25.8	-29.7	0	0	0	107.8	Q48 M52	Q48-P50 WeakPolarHBondContact O-CD 3.02Å; P50-M52 PolarHBondContact O-N 2.88Å; P50-M52 VanDerWaalsContact O-N 3.1Å
51	E	50.3	Low	68.5	Low	198 Å²	198	92.6 Å²	92.6	93%	0.925	49%	0.494	S	S	*	.	S	Bend	trans	-70.2	4.2	176.3	-73.1	-164.6	150.8	0	0	113.4	R49	R49-E51 PolarHBondContact O-N 3.45Å; R49-E51 VanDerWaalsContact O-N 3.15Å
52	M	48	Very low	68.2	Low	150 Å²	150	95.4 Å²	95.4	74%	0.739	51%	0.514	S	S	*	.	S	Bend	trans	-152.1	133.4	179.4	-120.9	-173.1	-80.4	0	0	111.9	P50 I54	P50-M52 PolarHBondContact O-N 2.88Å; P50-M52 VanDerWaalsContact O-N 3.1Å; M52-I54 VanDerWaalsContact C-N 3.35Å; M52-I54 PolarHBondContact O-N 3.12Å
53	Y	49.8	Very low	67.8	Low	236 Å²	236	100.7 Å²	100.7	93%	0.925	54%	0.539	S	S	*	.			trans	-67.1	89.4	169.4	-69.9	-91.8	0	0	0	109.5	I55	Y53-I55 PolarHBondContact O-N 3.01Å
54	I	54.8	Low	67.7	Low	125 Å²	125	101.4 Å²	101.4	64%	0.641	54%	0.542	S	S	*	.			trans	-76.9	119.5	170	-59.5	177.7	0	0	0	107.8	M52 G56 A57	M52-I54 VanDerWaalsContact C-N 3.35Å; M52-I54 PolarHBondContact O-N 3.12Å; I54-G56 PolarHBondContact O-N 3.29Å; I54-G56 VanDerWaalsContact O-N 3.14Å; I54-A57 HydrophobicContact CB-CB 4.47Å; I54-A57 WeakPolarHBondContact O-CB 3.38Å; I54-A57 PolarHBondContact O-N 3.47Å
55	I	44.8	Very low	67.5	Low	177 Å²	177	101.3 Å²	101.3	91%	0.908	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	117	172.3	-62.6	173	0	0	0	108.1	Y53	Y53-I55 PolarHBondContact O-N 3.01Å
56	G	52	Low	67.8	Low	80 Å²	80	98.6 Å²	98.6	83%	0.825	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	-4.4	-177.1	0	0	0	0	0	115.5	I54	I54-G56 PolarHBondContact O-N 3.29Å; I54-G56 VanDerWaalsContact O-N 3.14Å
57	A	59.3	Low	68.5	Low	67 Å²	67	94.4 Å²	94.4	55%	0.554	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.2	170.9	0	0	0	0	0	110.9	I54	I54-A57 HydrophobicContact CB-CB 4.47Å; I54-A57 WeakPolarHBondContact O-CB 3.38Å; I54-A57 PolarHBondContact O-N 3.47Å
58	Q	59.2	Low	69.1	Low	126 Å²	126	93.6 Å²	93.6	59%	0.589	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-60.3	140.3	172.3	-71.1	-173.5	-21.2	0	0	109.9	L60 Q63	Q58-L60 PolarHBondContact O-N 3.46Å; Q58-Q63 HydrophobicContact CB-CG 3.94Å; Q58-Q63 PolarHBondContact O-NE2 2.95Å
59	P	74.8	Confident	70.4	Confident	95 Å²	95	91 Å²	91	62%	0.617	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-60.2	131.2	179.8	21.6	-29.8	0	0	0	110	C61 S62	P59-C61 PolarHBondContact O-N 2.86Å; P59-S62 WeakPolarHBondContact O-CB 3.29Å; P59-S62 PolarHBondContact O-N 2.85Å; P59-S62 PolarHBondContact O-OG 2.85Å
60	L	81.9	Confident	72	Confident	36 Å²	36	86.8 Å²	86.8	19%	0.188	48%	0.478	C	S	.	.	H	α-helix	trans	-38.2	-50.8	-174.5	176.7	66.2	0	0	0	113.4	I47 Q58 S62 Q63 L64	I47-L60 HydrophobicContact CG2-CD1 4.04Å; Q58-L60 PolarHBondContact O-N 3.46Å; L60-S62 PolarHBondContact O-N 2.93Å; L60-S62 VanDerWaalsContact O-N 3.14Å; L60-Q63 WeakPolarHBondContact O-CB 3.43Å; L60-Q63 PolarHBondContact O-N 3.13Å; L60-L64 HydrophobicContact CG-CD1 4.48Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.42Å
61	C	86.8	Confident	73.9	Confident	7 Å²	7	82 Å²	82	5%	0.047	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-19.2	-177.1	-58.8	0	0	0	0	115.6	P59 R72 C75 Q76	P59-C61 PolarHBondContact O-N 2.86Å; C61-R72 PolarHBondContact O-NH1 2.8Å; C61-R72 VanDerWaalsContact O-NH1 3.09Å; C61-C75 WeakPolarHBondContact CA-SG 3.24Å; C61-C75 HydrophobicContact CB-CB 3.81Å; C61-C75 WeakPolarHBondContact CB-SG 3.44Å; C61-C75 WeakPolarHBondContact SG-CB 3.07Å; C61-C75 PolarHBondContact SG-O 3.5Å; C61-C75 VanDerWaalsContact SG-O 3.32Å; C61-C75 CovalentContact SG-SG 2.03Å; C61-C75 PolarHBondContact SG-SG 2.02Å; C61-Q76 HydrophobicContact CB-CG 4.29Å; C61-Q76 PolarHBondContact SG-N 3.25Å; C61-Q76 VanDerWaalsContact SG-N 3.42Å
62	S	83.4	Confident	76	Confident	61 Å²	61	76 Å²	76	43%	0.427	42%	0.415	S	S	.	.	H	α-helix	trans	-80.5	-32	173.7	66.8	0	0	0	0	112	P59 L60	P59-S62 WeakPolarHBondContact O-CB 3.29Å; P59-S62 PolarHBondContact O-N 2.85Å; P59-S62 PolarHBondContact O-OG 2.85Å; L60-S62 PolarHBondContact O-N 2.93Å; L60-S62 VanDerWaalsContact O-N 3.14Å
63	Q	83.1	Confident	78.2	Confident	111 Å²	111	74.5 Å²	74.5	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-77.1	-25.2	178	-61.4	178.7	-13.6	0	0	112.4	Q58 L60 S65	Q58-Q63 HydrophobicContact CB-CG 3.94Å; Q58-Q63 PolarHBondContact O-NE2 2.95Å; L60-Q63 WeakPolarHBondContact O-CB 3.43Å; L60-Q63 PolarHBondContact O-N 3.13Å; Q63-S65 PolarHBondContact O-N 2.89Å; Q63-S65 VanDerWaalsContact O-N 3.13Å
64	L	86.6	Confident	80.4	Confident	16 Å²	16	65 Å²	65	8%	0.084	37%	0.37	C	S	.	.			trans	-69.7	109.5	176.5	-60.6	-177.5	0	0	0	110.5	L42 I47 L60 L67 R72 M82	L42-L64 HydrophobicContact CD2-CB 4.22Å; L42-L64 HydrophobicContact CD2-CD1 4.27Å; L42-L64 HydrophobicContact CD2-CD2 3.88Å; L42-L64 HydrophobicContact CD2-CG 4.33Å; I47-L64 HydrophobicContact CD1-CD2 4.3Å; I47-L64 HydrophobicContact CG1-CD2 4.1Å; L60-L64 HydrophobicContact CG-CD1 4.48Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.42Å; L64-L67 HydrophobicContact CB-CD1 3.84Å; L64-L67 HydrophobicContact CB-CG 4.21Å; L64-L67 HydrophobicContact CD1-CD1 4.08Å; L64-R72 PolarHBondContact O-NH1 3.23Å; L64-R72 VanDerWaalsContact O-NH1 3.1Å; L64-M82 HydrophobicContact CD1-CB 4.22Å; L64-M82 HydrophobicContact CD1-CE 3.62Å; L64-M82 HydrophobicContact CD1-CG 4.19Å
65	S	84.4	Confident	82.3	Confident	57 Å²	57	59 Å²	59	40%	0.399	34%	0.339	S	S	.	.	S	Bend	trans	-71	162	167.6	55.2	0	0	0	0	110.9	Q63 L67	Q63-S65 PolarHBondContact O-N 2.89Å; Q63-S65 VanDerWaalsContact O-N 3.13Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 2Å
66	G	86.6	Confident	84.6	Confident	4 Å²	4	56.5 Å²	56.5	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	85.7	-20.6	174.7	0	0	0	0	0	116.3	S38 W39	S38-G66 CarbonylContact C-O 3.58Å; S38-G66 VanDerWaalsContact C-O 3.3Å; S38-G66 WeakPolarHBondContact O-CA 3.42Å; W39-G66 PolarHBondContact N-O 3.46Å; W39-G66 VanDerWaalsContact N-O 3.14Å
67	L	91.6	Very high	86.5	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.052	32%	0.316	C	S	.	.			trans	-74.6	133	-179.4	-62.2	-173.5	0	0	0	112.6	W39 L42 L64 S65 Q71 R72 C75 M82 F188	W39-L67 HydrophobicContact CB-CD2 3.98Å; L42-L67 HydrophobicContact CD1-CD2 4.03Å; L64-L67 HydrophobicContact CB-CD1 3.84Å; L64-L67 HydrophobicContact CB-CG 4.21Å; L64-L67 HydrophobicContact CD1-CD1 4.08Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 2Å; L67-Q71 HydrophobicContact CB-CB 4.2Å; L67-Q71 HydrophobicContact CD2-CB 4.11Å; L67-R72 HydrophobicContact CB-CG 3.73Å; L67-R72 HydrophobicContact CD1-CG 4.25Å; L67-R72 PolarHBondContact O-NE 3.09Å; L67-R72 PolarHBondContact O-NH2 3.47Å; L67-C75 HydrophobicContact CD1-CB 4.08Å; L67-M82 HydrophobicContact CD1-CE 4.03Å; L67-M82 HydrophobicContact CD2-CE 4.23Å; L67-F188 HydrophobicContact CD2-CE2 4.32Å; L67-F188 HydrophobicContact CD2-CZ 3.76Å
68	S	92.8	Very high	88.2	Confident	15 Å²	15	59 Å²	59	11%	0.105	30%	0.303	C	S	.	.			trans	-69.6	167.8	168.1	94.7	0	0	0	0	111.8	S70 Q71 R72 E195	S68-S70 VanDerWaalsContact C-N 3.29Å; S68-S70 PolarHBondContact O-N 3.02Å; S68-S70 PolarHBondContact OG-N 3.19Å; S68-Q71 PolarHBondContact O-N 3.35Å; S68-Q71 PolarHBondContact OG-N 3.01Å; S68-R72 WeakPolarHBondContact O-CG 3.12Å; S68-R72 PolarHBondContact O-N 2.93Å; S68-E195 WeakPolarHBondContact CB-OE2 3.02Å; S68-E195 PolarHBondContact OG-OE2 3.32Å
69	Q	92.5	Very high	89.8	Confident	112 Å²	112	57.9 Å²	57.9	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-40.2	-179.9	-173.9	60.1	25.7	0	0	111.4	R72 K73 E195	Q69-R72 PolarHBondContact O-N 3.48Å; Q69-K73 PolarHBondContact O-N 3.34Å; Q69-E195 WeakPolarHBondContact CB-OE1 3.24Å; Q69-E195 PolarHBondContact N-OE2 2.87Å
70	S	93.9	Very high	90.6	Very high	38 Å²	38	55.4 Å²	55.4	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-40.1	175.5	-63	0	0	0	0	112.1	S68 R72 K73 L74 E195	S68-S70 VanDerWaalsContact C-N 3.29Å; S68-S70 PolarHBondContact O-N 3.02Å; S68-S70 PolarHBondContact OG-N 3.19Å; S70-R72 PolarHBondContact O-N 3.27Å; S70-K73 PolarHBondContact O-N 3.1Å; S70-L74 PolarHBondContact O-N 2.77Å; S70-E195 PolarHBondContact N-OE2 2.9Å; S70-E195 VanDerWaalsContact N-OE2 3.07Å; S70-E195 PolarHBondContact OG-OE2 3.2Å
71	Q	95.5	Very high	91.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-34.2	176.8	-67.5	178.2	-44.2	0	0	112.7	W39 L67 S68 K73 L74 C75 F188 A191	W39-Q71 VanDerWaalsContact CD1-NE2 3.31Å; L67-Q71 HydrophobicContact CB-CB 4.2Å; L67-Q71 HydrophobicContact CD2-CB 4.11Å; S68-Q71 PolarHBondContact O-N 3.35Å; S68-Q71 PolarHBondContact OG-N 3.01Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 2.78Å; Q71-L74 PolarHBondContact O-N 2.87Å; Q71-C75 WeakPolarHBondContact O-CB 3.21Å; Q71-C75 PolarHBondContact O-N 2.77Å; Q71-F188 HydrophobicContact CB-CE2 4.01Å; Q71-F188 HydrophobicContact CB-CZ 4.34Å; Q71-F188 HydrophobicContact CG-CE2 4.27Å; Q71-F188 HydrophobicContact CG-CZ 4.4Å; Q71-F188 PolarHBondContact NE2-O 3.43Å; Q71-A191 HydrophobicContact CG-CB 3.73Å
72	R	94.4	Very high	91.6	Very high	73 Å²	73	53.4 Å²	53.4	28%	0.275	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-38.8	174.4	-73.3	-179	-162.6	-88.1	3.1	112.2	C61 L64 L67 S68 Q69 S70 L74 C75 Q76	C61-R72 PolarHBondContact O-NH1 2.8Å; C61-R72 VanDerWaalsContact O-NH1 3.09Å; L64-R72 PolarHBondContact O-NH1 3.23Å; L64-R72 VanDerWaalsContact O-NH1 3.1Å; L67-R72 HydrophobicContact CB-CG 3.73Å; L67-R72 HydrophobicContact CD1-CG 4.25Å; L67-R72 PolarHBondContact O-NE 3.09Å; L67-R72 PolarHBondContact O-NH2 3.47Å; S68-R72 WeakPolarHBondContact O-CG 3.12Å; S68-R72 PolarHBondContact O-N 2.93Å; Q69-R72 PolarHBondContact O-N 3.48Å; S70-R72 PolarHBondContact O-N 3.27Å; R72-L74 VanDerWaalsContact C-N 3.35Å; R72-C75 WeakPolarHBondContact O-CB 3.48Å; R72-C75 PolarHBondContact O-N 2.97Å; R72-Q76 WeakPolarHBondContact O-CG 3.33Å; R72-Q76 PolarHBondContact O-N 3.5Å
73	K	94	Very high	92.1	Very high	118 Å²	118	51.3 Å²	51.3	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-43.2	174	-66.4	175	-178.4	178.7	0	111.3	Q69 S70 Q71 Q76 L77	Q69-K73 PolarHBondContact O-N 3.34Å; S70-K73 PolarHBondContact O-N 3.1Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 2.78Å; K73-Q76 PolarHBondContact O-N 3.28Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.41Å
74	L	95.2	Very high	92.8	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-41	175.3	-68.8	173	0	0	0	112	S70 Q71 R72 Q76 L77 Y78 E187 F188 A191	S70-L74 PolarHBondContact O-N 2.77Å; Q71-L74 PolarHBondContact O-N 2.87Å; R72-L74 VanDerWaalsContact C-N 3.35Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3.26Å; L74-L77 PolarHBondContact O-N 2.74Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L74-Y78 HydrophobicContact CD2-CE2 4.41Å; L74-Y78 WeakPolarHBondContact O-CD2 3.48Å; L74-Y78 PolarHBondContact O-N 3.19Å; L74-E187 WeakPolarHBondContact CD1-O 3.5Å; L74-F188 HydrophobicContact CB-CD2 4.21Å; L74-F188 HydrophobicContact CD1-CB 4.21Å; L74-F188 HydrophobicContact CD1-CD2 4.22Å; L74-A191 HydrophobicContact CD1-CB 4.2Å
75	C	94.6	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.7	-43.2	174.5	177.6	0	0	0	0	111.7	C61 L67 Q71 R72 L77 Y78 Q79 M82	C61-C75 WeakPolarHBondContact CA-SG 3.24Å; C61-C75 HydrophobicContact CB-CB 3.81Å; C61-C75 WeakPolarHBondContact CB-SG 3.44Å; C61-C75 WeakPolarHBondContact SG-CB 3.07Å; C61-C75 PolarHBondContact SG-O 3.5Å; C61-C75 VanDerWaalsContact SG-O 3.32Å; C61-C75 CovalentContact SG-SG 2.03Å; C61-C75 PolarHBondContact SG-SG 2.02Å; L67-C75 HydrophobicContact CD1-CB 4.08Å; Q71-C75 WeakPolarHBondContact O-CB 3.21Å; Q71-C75 PolarHBondContact O-N 2.77Å; R72-C75 WeakPolarHBondContact O-CB 3.48Å; R72-C75 PolarHBondContact O-N 2.97Å; C75-L77 PolarHBondContact O-N 2.89Å; C75-Y78 CarbonylContact O-C 3.46Å; C75-Y78 PolarHBondContact O-N 3.39Å; C75-Q79 WeakPolarHBondContact O-CA 3.38Å; C75-Q79 WeakPolarHBondContact O-CG 3.35Å; C75-Q79 PolarHBondContact O-N 2.85Å; C75-Q79 VanDerWaalsContact O-N 3.16Å; C75-M82 HydrophobicContact CB-CE 4.3Å; C75-M82 HydrophobicContact CB-CG 4.27Å; C75-M82 HydrophobicContact CB-SD 3.68Å; C75-M82 VanDerWaalsContact SG-CG 3.51Å; C75-M82 VanDerWaalsContact SG-SD 3.69Å
76	Q	93.3	Very high	93.8	Very high	124 Å²	124	44.3 Å²	44.3	58%	0.579	21%	0.214	S	C	*	.	H	α-helix	trans	-62	-34	179.3	-72.5	170.1	-20.7	0	0	112.5	C61 R72 K73 L74 Q79	C61-Q76 HydrophobicContact CB-CG 4.29Å; C61-Q76 PolarHBondContact SG-N 3.25Å; C61-Q76 VanDerWaalsContact SG-N 3.42Å; R72-Q76 WeakPolarHBondContact O-CG 3.33Å; R72-Q76 PolarHBondContact O-N 3.5Å; K73-Q76 PolarHBondContact O-N 3.28Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3.26Å; Q76-Q79 PolarHBondContact O-NE2 3.36Å
77	L	93.4	Very high	94.2	Very high	128 Å²	128	47.6 Å²	47.6	67%	0.67	23%	0.23	S	C	*	.	H	α-helix	trans	-81	-33.6	178.2	-64.5	172.8	0	0	0	113	K73 L74 C75	K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.41Å; L74-L77 PolarHBondContact O-N 2.74Å; L74-L77 VanDerWaalsContact O-N 3.14Å; C75-L77 PolarHBondContact O-N 2.89Å
78	Y	94.9	Very high	94.5	Very high	73 Å²	73	47.1 Å²	47.1	29%	0.286	23%	0.228	S	C	.	.			trans	-126.5	55.8	-170.7	-62.7	-76.6	0	0	0	111.2	L74 C75 D80 H81 T153 F184	L74-Y78 HydrophobicContact CD2-CE2 4.41Å; L74-Y78 WeakPolarHBondContact O-CD2 3.48Å; L74-Y78 PolarHBondContact O-N 3.19Å; C75-Y78 CarbonylContact O-C 3.46Å; C75-Y78 PolarHBondContact O-N 3.39Å; Y78-D80 VanDerWaalsContact C-N 3.33Å; Y78-D80 PolarHBondContact O-N 3.44Å; Y78-H81 AromaticContact CD1-CE1 3.73Å; Y78-H81 AromaticContact CD1-ND1 3.91Å; Y78-H81 WeakPolarHBondContact O-CB 3.5Å; Y78-H81 PolarHBondContact O-N 3.17Å; Y78-H81 VanDerWaalsContact O-N 3.11Å; Y78-T153 HydrophobicContact CD1-CG2 4.38Å; Y78-T153 HydrophobicContact CE1-CG2 4.16Å; Y78-F184 HydrophobicContact CD1-CE2 4.2Å; Y78-F184 AromaticContact CD2-CE2 3.92Å; Y78-F184 HydrophobicContact CD2-CE2 3.92Å; Y78-F184 AromaticContact CG-CE2 3.75Å; Y78-F184 HydrophobicContact CG-CE2 3.75Å
79	Q	92.1	Very high	94.7	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-38.8	-174.3	-66.6	-178.7	44.9	0	0	112.7	C75 Q76 H81 M82	C75-Q79 WeakPolarHBondContact O-CA 3.38Å; C75-Q79 WeakPolarHBondContact O-CG 3.35Å; C75-Q79 PolarHBondContact O-N 2.85Å; C75-Q79 VanDerWaalsContact O-N 3.16Å; Q76-Q79 PolarHBondContact O-NE2 3.36Å; Q79-H81 PolarHBondContact O-N 3.11Å; Q79-M82 PolarHBondContact O-N 2.99Å
80	D	92.7	Very high	94.9	Very high	43 Å²	43	44.2 Å²	44.2	23%	0.23	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.5	176.1	57.4	-12.6	0	0	0	113	Y78 S83 L151 S152	Y78-D80 VanDerWaalsContact C-N 3.33Å; Y78-D80 PolarHBondContact O-N 3.44Å; D80-S83 PolarHBondContact O-OG 2.93Å; D80-L151 HydrophobicContact CB-CD2 4.3Å; D80-L151 WeakPolarHBondContact O-CD2 3.22Å; D80-S152 WeakPolarHBondContact OD2-CB 3.49Å; D80-S152 PolarHBondContact OD2-N 3.22Å; D80-S152 PolarHBondContact OD2-OG 2.96Å
81	H	95.3	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-77.1	-23.5	178.5	-65.1	55.9	0	0	0	113.1	Y78 Q79 S83 Y84 I85 I142 T153 Y180 F184	Y78-H81 AromaticContact CD1-CE1 3.73Å; Y78-H81 AromaticContact CD1-ND1 3.91Å; Y78-H81 WeakPolarHBondContact O-CB 3.5Å; Y78-H81 PolarHBondContact O-N 3.17Å; Y78-H81 VanDerWaalsContact O-N 3.11Å; Q79-H81 PolarHBondContact O-N 3.11Å; H81-S83 VanDerWaalsContact C-N 3.34Å; H81-S83 PolarHBondContact O-N 3.39Å; H81-Y84 PolarHBondContact O-N 2.93Å; H81-Y84 VanDerWaalsContact O-N 3.13Å; H81-I85 HydrophobicContact CB-CD1 4.3Å; H81-I85 WeakPolarHBondContact O-CG1 3.41Å; H81-I85 PolarHBondContact O-N 3.44Å; H81-I142 HydrophobicContact CB-CD1 4.15Å; H81-T153 PolarHBondContact CE1-OG1 3.15Å; H81-T153 PolarHBondContact NE2-OG1 3.24Å; H81-Y180 AromaticContact NE2-CE1 3.6Å; H81-Y180 AromaticContact NE2-CZ 3.63Å; H81-Y180 PolarHBondContact NE2-OH 3.01Å; H81-F184 HydrophobicContact CB-CE1 4.16Å; H81-F184 HydrophobicContact CB-CE2 4.17Å; H81-F184 HydrophobicContact CB-CZ 3.6Å; H81-F184 AromaticContact CD2-CD2 3.77Å; H81-F184 AromaticContact CD2-CE2 3.48Å; H81-F184 VanDerWaalsContact CD2-CE2 3.48Å; H81-F184 WeakPolarHBondContact CD2-CE2 3.08Å; H81-F184 AromaticContact CD2-CZ 3.63Å; H81-F184 AromaticContact CG-CE2 3.89Å; H81-F184 AromaticContact CG-CZ 3.81Å
82	M	94.3	Very high	95.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-40.2	-169.3	-64.3	-52	-54.9	0	0	112.6	L42 I47 L64 L67 C75 Q79 Y84 I85 G86 F188	L42-M82 HydrophobicContact CD1-CE 3.74Å; I47-M82 HydrophobicContact CD1-CB 4.27Å; I47-M82 WeakPolarHBondContact CD1-O 3.07Å; L64-M82 HydrophobicContact CD1-CB 4.22Å; L64-M82 HydrophobicContact CD1-CE 3.62Å; L64-M82 HydrophobicContact CD1-CG 4.19Å; L67-M82 HydrophobicContact CD1-CE 4.03Å; L67-M82 HydrophobicContact CD2-CE 4.23Å; C75-M82 HydrophobicContact CB-CE 4.3Å; C75-M82 HydrophobicContact CB-CG 4.27Å; C75-M82 HydrophobicContact CB-SD 3.68Å; C75-M82 VanDerWaalsContact SG-CG 3.51Å; C75-M82 VanDerWaalsContact SG-SD 3.69Å; Q79-M82 PolarHBondContact O-N 2.99Å; M82-Y84 VanDerWaalsContact C-N 3.33Å; M82-Y84 PolarHBondContact O-N 2.79Å; M82-I85 HydrophobicContact CE-CD1 4.06Å; M82-I85 WeakPolarHBondContact O-CB 3.29Å; M82-I85 PolarHBondContact O-N 2.93Å; M82-I85 HydrophobicContact SD-CD1 3.58Å; M82-I85 VanDerWaalsContact SD-CD1 3.58Å; M82-G86 PolarHBondContact O-N 2.87Å; M82-F188 HydrophobicContact CE-CE2 4.09Å; M82-F188 HydrophobicContact CE-CZ 4.05Å; M82-F188 HydrophobicContact SD-CE2 4.19Å
83	S	93.7	Very high	95.3	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-56.4	-46	175.3	58.2	0	0	0	0	112.1	R49 D80 H81 G86 D87	R49-S83 PolarHBondContact NH2-OG 3.37Å; D80-S83 PolarHBondContact O-OG 2.93Å; H81-S83 VanDerWaalsContact C-N 3.34Å; H81-S83 PolarHBondContact O-N 3.39Å; S83-G86 PolarHBondContact O-N 3.04Å; S83-D87 PolarHBondContact O-N 3.41Å
84	Y	96.8	Very high	95.4	Very high	36 Å²	36	42.3 Å²	42.3	14%	0.141	20%	0.203	C	C	.	.	H	α-helix	trans	-74.8	-28.1	178.6	-62.8	-72.1	0	0	0	114	R49 H81 M82 G86 D87 G88 A141 A145 E150 L151	R49-Y84 PolarHBondContact NH2-OH 3.25Å; H81-Y84 PolarHBondContact O-N 2.93Å; H81-Y84 VanDerWaalsContact O-N 3.13Å; M82-Y84 VanDerWaalsContact C-N 3.33Å; M82-Y84 PolarHBondContact O-N 2.79Å; Y84-G86 VanDerWaalsContact C-N 3.3Å; Y84-D87 PolarHBondContact O-N 2.04Å; Y84-G88 PolarHBondContact O-N 3.21Å; Y84-A141 VanDerWaalsContact O-CB 3.26Å; Y84-A141 WeakPolarHBondContact O-CB 3.1Å; Y84-A145 HydrophobicContact CD1-CB 3.57Å; Y84-A145 HydrophobicContact CD2-CB 3.76Å; Y84-A145 HydrophobicContact CE1-CB 3.68Å; Y84-A145 HydrophobicContact CE2-CB 3.82Å; Y84-A145 HydrophobicContact CG-CB 3.62Å; Y84-E150 HydrophobicContact CE2-CB 3.81Å; Y84-E150 WeakPolarHBondContact OH-CB 3.36Å; Y84-E150 VanDerWaalsContact OH-CD 3.32Å; Y84-E150 WeakPolarHBondContact OH-CG 3.33Å; Y84-E150 PolarHBondContact OH-OE2 2.74Å; Y84-E150 VanDerWaalsContact OH-OE2 3.08Å; Y84-L151 HydrophobicContact CD2-CD2 3.67Å; Y84-L151 HydrophobicContact CD2-CG 4.31Å; Y84-L151 HydrophobicContact CE2-CD2 3.88Å; Y84-L151 HydrophobicContact CE2-CG 4.4Å
85	I	96.6	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-44.4	167.8	-68.8	162.4	0	0	0	109.6	W39 L42 H81 M82 G88 A89 V138 I142 F184 F188	W39-I85 HydrophobicContact CE3-CG2 3.89Å; W39-I85 HydrophobicContact CZ3-CG2 3.89Å; L42-I85 HydrophobicContact CD1-CG2 3.94Å; H81-I85 HydrophobicContact CB-CD1 4.3Å; H81-I85 WeakPolarHBondContact O-CG1 3.41Å; H81-I85 PolarHBondContact O-N 3.44Å; M82-I85 HydrophobicContact CE-CD1 4.06Å; M82-I85 WeakPolarHBondContact O-CB 3.29Å; M82-I85 PolarHBondContact O-N 2.93Å; M82-I85 HydrophobicContact SD-CD1 3.58Å; M82-I85 VanDerWaalsContact SD-CD1 3.58Å; I85-G88 PolarHBondContact O-N 2.84Å; I85-A89 PolarHBondContact O-N 3.5Å; I85-V138 HydrophobicContact CG1-CG1 4.42Å; I85-V138 HydrophobicContact CG2-CG2 4.42Å; I85-I142 HydrophobicContact CG1-CD1 4.35Å; I85-F184 HydrophobicContact CD1-CE1 3.65Å; I85-F184 HydrophobicContact CD1-CZ 3.77Å; I85-F184 HydrophobicContact CG1-CE1 3.84Å; I85-F184 HydrophobicContact CG1-CZ 4.42Å; I85-F188 HydrophobicContact CD1-CD1 4.09Å; I85-F188 HydrophobicContact CD1-CD2 3.86Å; I85-F188 HydrophobicContact CD1-CE1 4.04Å; I85-F188 HydrophobicContact CD1-CE2 3.79Å; I85-F188 HydrophobicContact CD1-CG 4.01Å; I85-F188 HydrophobicContact CD1-CZ 3.88Å; I85-F188 HydrophobicContact CG1-CD1 4.48Å; I85-F188 HydrophobicContact CG1-CE1 4.48Å; I85-F188 HydrophobicContact CG2-CD1 4.12Å; I85-F188 HydrophobicContact CG2-CE1 3.5Å; I85-F188 HydrophobicContact CG2-CZ 3.93Å
86	G	95.1	Very high	95.8	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-46.5	174.7	0	0	0	0	0	112.4	L42 G43 M82 S83 Y84 G88 A89 R90	L42-G86 WeakPolarHBondContact O-CA 2.98Å; G43-G86 WeakPolarHBondContact CA-O 3.37Å; M82-G86 PolarHBondContact O-N 2.87Å; S83-G86 PolarHBondContact O-N 3.04Å; Y84-G86 VanDerWaalsContact C-N 3.3Å; G86-G88 VanDerWaalsContact C-N 3.33Å; G86-G88 PolarHBondContact O-N 3.12Å; G86-A89 PolarHBondContact O-N 3.41Å; G86-R90 WeakPolarHBondContact O-CB 3.48Å; G86-R90 PolarHBondContact O-N 2.59Å
87	D	96.3	Very high	96	Very high	73 Å²	73	38.3 Å²	38.3	39%	0.39	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-38.2	176	-71.1	-23.6	0	0	0	112.7	S83 Y84 R90 T91	S83-D87 PolarHBondContact O-N 3.41Å; Y84-D87 PolarHBondContact O-N 2.04Å; D87-R90 PolarHBondContact O-N 3.03Å; D87-T91 VanDerWaalsContact O-CB 3.28Å; D87-T91 WeakPolarHBondContact O-CB 3.39Å; D87-T91 PolarHBondContact O-N 2.78Å; D87-T91 PolarHBondContact O-OG1 3.03Å
88	G	97.9	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-46.5	173.2	0	0	0	0	0	112.3	Y84 I85 G86 T91 G92 G137	Y84-G88 PolarHBondContact O-N 3.21Å; I85-G88 PolarHBondContact O-N 2.84Å; G86-G88 VanDerWaalsContact C-N 3.33Å; G86-G88 PolarHBondContact O-N 3.12Å; G88-T91 PolarHBondContact O-N 2.88Å; G88-G92 PolarHBondContact O-N 3.23Å; G88-G137 VanDerWaalsContact CA-C 3.47Å; G88-G137 WeakPolarHBondContact CA-O 2.96Å; G88-G137 WeakPolarHBondContact O-CA 3.38Å
89	A	96.4	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-47.4	174	0	0	0	0	0	111.5	W39 I85 G86 T91 G92 I93	W39-A89 HydrophobicContact CE3-CB 4.42Å; W39-A89 HydrophobicContact CH2-CB 4.48Å; W39-A89 HydrophobicContact CZ3-CB 3.78Å; I85-A89 PolarHBondContact O-N 3.5Å; G86-A89 PolarHBondContact O-N 3.41Å; A89-T91 VanDerWaalsContact C-N 3.32Å; A89-T91 PolarHBondContact O-N 2.91Å; A89-G92 PolarHBondContact O-N 2.6Å; A89-I93 WeakPolarHBondContact O-CD1 3.12Å; A89-I93 VanDerWaalsContact O-CG1 3.25Å; A89-I93 WeakPolarHBondContact O-CG1 3.25Å; A89-I93 PolarHBondContact O-N 3.21Å
90	R	95.8	Very high	96.6	Very high	66 Å²	66	29.8 Å²	29.8	25%	0.249	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-43.9	177.9	-171.6	-173.3	-56.2	-87.2	-1.5	111.6	G43 G86 D87 I93 K94	G43-R90 WeakPolarHBondContact O-CB 3.41Å; G43-R90 WeakPolarHBondContact O-CG 3.07Å; G43-R90 PolarHBondContact O-NE 3.06Å; G43-R90 PolarHBondContact O-NH1 3.45Å; G86-R90 WeakPolarHBondContact O-CB 3.48Å; G86-R90 PolarHBondContact O-N 2.59Å; D87-R90 PolarHBondContact O-N 3.03Å; R90-I93 PolarHBondContact O-N 3.26Å; R90-K94 HydrophobicContact CG-CD 4.48Å; R90-K94 WeakPolarHBondContact O-CG 3.3Å; R90-K94 PolarHBondContact O-N 3.33Å
91	T	97.8	Very high	96.7	Very high	50 Å²	50	32 Å²	32	31%	0.307	15%	0.147	S	C	.	.	H	α-helix	trans	-64.3	-44.4	178.5	-60.3	0	0	0	0	110.8	D87 G88 A89 K94 E95 F251	D87-T91 VanDerWaalsContact O-CB 3.28Å; D87-T91 WeakPolarHBondContact O-CB 3.39Å; D87-T91 PolarHBondContact O-N 2.78Å; D87-T91 PolarHBondContact O-OG1 3.03Å; G88-T91 PolarHBondContact O-N 2.88Å; A89-T91 VanDerWaalsContact C-N 3.32Å; A89-T91 PolarHBondContact O-N 2.91Å; T91-K94 PolarHBondContact O-N 3.41Å; T91-E95 WeakPolarHBondContact O-CB 3.17Å; T91-E95 PolarHBondContact O-N 3.32Å; T91-F251 HydrophobicContact CG2-CB 4.37Å; T91-F251 HydrophobicContact CG2-CD1 3.44Å; T91-F251 VanDerWaalsContact CG2-CD1 3.44Å; T91-F251 HydrophobicContact CG2-CD2 4.35Å; T91-F251 HydrophobicContact CG2-CE1 3.68Å; T91-F251 HydrophobicContact CG2-CG 3.8Å; T91-F251 HydrophobicContact CG2-CZ 4.25Å
92	G	98.1	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-45	174.6	0	0	0	0	0	113.5	G88 A89 E95 C96	G88-G92 PolarHBondContact O-N 3.23Å; A89-G92 PolarHBondContact O-N 2.6Å; G92-E95 PolarHBondContact O-N 2.96Å; G92-C96 WeakPolarHBondContact O-CB 3.45Å; G92-C96 PolarHBondContact O-N 3.07Å
93	I	96.5	Very high	96.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-49.8	177.1	-68.1	159.3	0	0	0	110.8	L44 A89 R90 E95 C96 Q97 T109 V115 F116	L44-I93 HydrophobicContact CD2-CD1 4.27Å; A89-I93 WeakPolarHBondContact O-CD1 3.12Å; A89-I93 VanDerWaalsContact O-CG1 3.25Å; A89-I93 WeakPolarHBondContact O-CG1 3.25Å; A89-I93 PolarHBondContact O-N 3.21Å; R90-I93 PolarHBondContact O-N 3.26Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.1Å; I93-C96 WeakPolarHBondContact O-CB 3.47Å; I93-C96 PolarHBondContact O-N 3.4Å; I93-Q97 WeakPolarHBondContact O-CG 2.97Å; I93-Q97 PolarHBondContact O-N 3.11Å; I93-T109 HydrophobicContact CG2-CG2 3.64Å; I93-V115 HydrophobicContact CD1-CG1 3.73Å; I93-V115 HydrophobicContact CG1-CG1 4.09Å; I93-F116 HydrophobicContact CB-CZ 4.39Å; I93-F116 HydrophobicContact CG1-CE1 4.38Å; I93-F116 HydrophobicContact CG1-CE2 4.3Å; I93-F116 HydrophobicContact CG1-CZ 3.64Å; I93-F116 HydrophobicContact CG2-CE1 4.48Å
94	K	97.4	Very high	96.7	Very high	133 Å²	133	42.8 Å²	42.8	58%	0.578	19%	0.19	S	C	*	.	H	α-helix	trans	-61.2	-41.3	-179.9	-76.2	179.4	177	-178.8	0	111.9	R90 T91 Q97 Y98	R90-K94 HydrophobicContact CG-CD 4.48Å; R90-K94 WeakPolarHBondContact O-CG 3.3Å; R90-K94 PolarHBondContact O-N 3.33Å; T91-K94 PolarHBondContact O-N 3.41Å; K94-Q97 PolarHBondContact O-N 2.87Å; K94-Y98 WeakPolarHBondContact O-CB 2.98Å; K94-Y98 PolarHBondContact O-N 3.18Å
95	E	98.7	Very high	96.6	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-37.2	178.7	-170.8	55.4	-156	0	0	111.5	T91 G92 I93 Q97 Y98 Q99 I133 F251 R252	T91-E95 WeakPolarHBondContact O-CB 3.17Å; T91-E95 PolarHBondContact O-N 3.32Å; G92-E95 PolarHBondContact O-N 2.96Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 3.1Å; E95-Q97 PolarHBondContact O-N 2.98Å; E95-Y98 WeakPolarHBondContact O-CB 3.17Å; E95-Y98 PolarHBondContact O-N 2.92Å; E95-Q99 HydrophobicContact CG-CG 4.35Å; E95-Q99 WeakPolarHBondContact O-CB 3.42Å; E95-Q99 VanDerWaalsContact O-CG 3.27Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 2.81Å; E95-Q99 PolarHBondContact OE1-NE2 2.85Å; E95-I133 HydrophobicContact CB-CD1 4.36Å; E95-I133 HydrophobicContact CB-CG1 4.38Å; E95-I133 HydrophobicContact CG-CD1 4.08Å; E95-F251 HydrophobicContact CB-CD1 3.81Å; E95-F251 HydrophobicContact CB-CE1 3.61Å; E95-F251 HydrophobicContact CG-CD1 3.91Å; E95-F251 HydrophobicContact CG-CE1 3.92Å; E95-R252 VanDerWaalsContact CD-NE 3.33Å; E95-R252 WeakPolarHBondContact OE1-CD 3.36Å; E95-R252 IonicContact OE1-CZ 3.82Å; E95-R252 IonicContact OE1-NE 2.81Å; E95-R252 PolarHBondContact OE1-NE 3.28Å; E95-R252 IonicContact OE2-CZ 2.84Å; E95-R252 IonicContact OE2-NE 2.66Å; E95-R252 PolarHBondContact OE2-NE 3.44Å; E95-R252 IonicContact OE2-NH2 3.48Å; E95-R252 PolarHBondContact OE2-NH2 2.84Å
96	C	98.3	Very high	96.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-48	172.1	-172.4	0	0	0	0	112.1	G92 I93 Y98 Q99 F100 C107 F129 I133	G92-C96 WeakPolarHBondContact O-CB 3.45Å; G92-C96 PolarHBondContact O-N 3.07Å; I93-C96 WeakPolarHBondContact O-CB 3.47Å; I93-C96 PolarHBondContact O-N 3.4Å; C96-Y98 VanDerWaalsContact C-N 3.27Å; C96-Y98 PolarHBondContact O-N 2.58Å; C96-Q99 PolarHBondContact O-N 2.8Å; C96-F100 WeakPolarHBondContact O-CB 3.38Å; C96-F100 WeakPolarHBondContact O-CD2 3.2Å; C96-F100 PolarHBondContact O-N 2.9Å; C96-C107 HydrophobicContact CB-CB 3.96Å; C96-C107 WeakPolarHBondContact CB-SG 3.32Å; C96-C107 WeakPolarHBondContact SG-CB 3.42Å; C96-C107 CovalentContact SG-SG 2.02Å; C96-C107 PolarHBondContact SG-SG 3.36Å; C96-F129 HydrophobicContact CB-CE1 3.95Å; C96-I133 HydrophobicContact CB-CG2 4.13Å
97	Q	97.3	Very high	96.5	Very high	64 Å²	64	44.1 Å²	44.1	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-58.7	-40.6	174.2	-71.6	171.1	-8.9	0	0	111.9	I93 K94 E95 K101 C107	I93-Q97 WeakPolarHBondContact O-CG 2.97Å; I93-Q97 PolarHBondContact O-N 3.11Å; K94-Q97 PolarHBondContact O-N 2.87Å; E95-Q97 PolarHBondContact O-N 2.98Å; Q97-K101 WeakPolarHBondContact O-CA 3.42Å; Q97-K101 WeakPolarHBondContact O-CB 3.06Å; Q97-K101 PolarHBondContact O-N 3.46Å; Q97-C107 HydrophobicContact CG-CB 4.37Å; Q97-C107 WeakPolarHBondContact CG-O 3.48Å
98	Y	97.9	Very high	96.2	Very high	92 Å²	92	42.3 Å²	42.3	36%	0.361	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-48.7	177.1	180	-89.9	0	0	0	112.2	K94 E95 C96 F100 K101 R252	K94-Y98 WeakPolarHBondContact O-CB 2.98Å; K94-Y98 PolarHBondContact O-N 3.18Å; E95-Y98 WeakPolarHBondContact O-CB 3.17Å; E95-Y98 PolarHBondContact O-N 2.92Å; C96-Y98 VanDerWaalsContact C-N 3.27Å; C96-Y98 PolarHBondContact O-N 2.58Å; Y98-F100 VanDerWaalsContact C-N 3.3Å; Y98-F100 PolarHBondContact O-N 3.03Å; Y98-K101 VanDerWaalsContact CE2-NZ 3.31Å; Y98-K101 WeakPolarHBondContact O-CD 3.49Å; Y98-K101 VanDerWaalsContact O-CG 3.28Å; Y98-K101 WeakPolarHBondContact O-CG 3.37Å; Y98-R252 VanDerWaalsContact CD1-NE 3.32Å; Y98-R252 VanDerWaalsContact CE1-NE 3.31Å; Y98-R252 VanDerWaalsContact CG-NH2 3.26Å; Y98-R252 PolarHBondContact OH-NH1 2.73Å
99	Q	98.2	Very high	95.6	Very high	30 Å²	30	45 Å²	45	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-30.3	-177.8	-68.2	-62.2	-20.2	0	0	112.4	E95 C96 F129 K259	E95-Q99 HydrophobicContact CG-CG 4.35Å; E95-Q99 WeakPolarHBondContact O-CB 3.42Å; E95-Q99 VanDerWaalsContact O-CG 3.27Å; E95-Q99 WeakPolarHBondContact O-CG 3.42Å; E95-Q99 PolarHBondContact O-N 2.81Å; E95-Q99 PolarHBondContact OE1-NE2 2.85Å; C96-Q99 PolarHBondContact O-N 2.8Å; Q99-F129 HydrophobicContact CB-CZ 4.22Å; Q99-F129 HydrophobicContact CG-CZ 4.24Å; Q99-K259 HydrophobicContact CB-CD 4.19Å; Q99-K259 HydrophobicContact CB-CG 4.42Å; Q99-K259 HydrophobicContact CG-CB 4.38Å
100	F	97.1	Very high	94.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-103.8	2.5	-176.8	-75.7	-96.8	0	0	0	114.7	C96 Y98 Q102 R103 W105 N106 C107 F129 K259 Y262	C96-F100 WeakPolarHBondContact O-CB 3.38Å; C96-F100 WeakPolarHBondContact O-CD2 3.2Å; C96-F100 PolarHBondContact O-N 2.9Å; Y98-F100 VanDerWaalsContact C-N 3.3Å; Y98-F100 PolarHBondContact O-N 3.03Å; F100-Q102 PolarHBondContact O-N 3.43Å; F100-R103 HydrophobicContact CB-CB 4.49Å; F100-R103 HydrophobicContact CD1-CB 3.94Å; F100-R103 HydrophobicContact CD1-CG 3.85Å; F100-R103 HydrophobicContact CE1-CG 4.45Å; F100-R103 PolarHBondContact O-N 2.97Å; F100-W105 HydrophobicContact CB-CE3 4.38Å; F100-W105 HydrophobicContact CB-CZ3 4.46Å; F100-W105 AromaticContact CD1-CE3 3.45Å; F100-W105 HydrophobicContact CD1-CE3 3.45Å; F100-W105 VanDerWaalsContact CD1-CE3 3.45Å; F100-W105 AromaticContact CD1-CZ3 3.68Å; F100-W105 HydrophobicContact CD1-CZ3 3.68Å; F100-W105 WeakPolarHBondContact CD1-O 3.05Å; F100-W105 HydrophobicContact CD2-CZ3 4.01Å; F100-W105 AromaticContact CE1-CE3 3.78Å; F100-W105 HydrophobicContact CE1-CE3 3.78Å; F100-W105 AromaticContact CE1-CZ3 3.81Å; F100-W105 HydrophobicContact CE1-CZ3 3.81Å; F100-W105 HydrophobicContact CE2-CZ3 4.15Å; F100-W105 AromaticContact CG-CE3 3.89Å; F100-W105 HydrophobicContact CG-CE3 3.89Å; F100-W105 AromaticContact CG-CZ3 3.78Å; F100-W105 HydrophobicContact CG-CZ3 3.78Å; F100-W105 HydrophobicContact CZ-CE3 4.47Å; F100-W105 HydrophobicContact CZ-CZ3 4.04Å; F100-N106 VanDerWaalsContact O-CA 3.32Å; F100-N106 WeakPolarHBondContact O-CA 3.39Å; F100-C107 HydrophobicContact CB-CB 4.13Å; F100-F129 HydrophobicContact CD2-CD1 4.26Å; F100-F129 HydrophobicContact CD2-CE1 4.12Å; F100-F129 HydrophobicContact CE2-CB 4.43Å; F100-F129 AromaticContact CE2-CD1 3.47Å; F100-F129 HydrophobicContact CE2-CD1 3.47Å; F100-F129 VanDerWaalsContact CE2-CD1 3.47Å; F100-F129 AromaticContact CE2-CD2 3.99Å; F100-F129 HydrophobicContact CE2-CD2 3.99Å; F100-F129 AromaticContact CE2-CE1 3.6Å; F100-F129 HydrophobicContact CE2-CE1 3.6Å; F100-F129 HydrophobicContact CE2-CE2 4.08Å; F100-F129 AromaticContact CE2-CG 3.68Å; F100-F129 HydrophobicContact CE2-CG 3.68Å; F100-F129 AromaticContact CE2-CZ 3.91Å; F100-F129 HydrophobicContact CE2-CZ 3.91Å; F100-F129 HydrophobicContact CZ-CB 4.35Å; F100-F129 HydrophobicContact CZ-CD1 4.21Å; F100-F129 HydrophobicContact CZ-CD2 4.37Å; F100-F129 HydrophobicContact CZ-CG 4.04Å; F100-K259 HydrophobicContact CE2-CD 4.03Å; F100-K259 HydrophobicContact CZ-CD 4.19Å; F100-Y262 HydrophobicContact CE1-CD1 4.38Å; F100-Y262 HydrophobicContact CE1-CD2 4.4Å; F100-Y262 AromaticContact CE1-CE1 3.85Å; F100-Y262 HydrophobicContact CE1-CE1 3.85Å; F100-Y262 AromaticContact CE1-CE2 3.84Å; F100-Y262 HydrophobicContact CE1-CE2 3.84Å; F100-Y262 AromaticContact CE1-CZ 3.55Å; F100-Y262 AromaticContact CZ-CD1 4Å; F100-Y262 HydrophobicContact CZ-CD1 4Å; F100-Y262 AromaticContact CZ-CD2 3.79Å; F100-Y262 HydrophobicContact CZ-CD2 3.79Å; F100-Y262 AromaticContact CZ-CE1 3.92Å; F100-Y262 HydrophobicContact CZ-CE1 3.92Å; F100-Y262 AromaticContact CZ-CE2 3.68Å; F100-Y262 HydrophobicContact CZ-CE2 3.68Å; F100-Y262 AromaticContact CZ-CG 3.94Å; F100-Y262 HydrophobicContact CZ-CG 3.94Å; F100-Y262 AromaticContact CZ-CZ 3.77Å
101	K	94.8	Very high	93.9	Very high	90 Å²	90	48.1 Å²	48.1	39%	0.391	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.6	-179	70	-169.7	175.7	-171	0	114.6	Q97 Y98 R315	Q97-K101 WeakPolarHBondContact O-CA 3.42Å; Q97-K101 WeakPolarHBondContact O-CB 3.06Å; Q97-K101 PolarHBondContact O-N 3.46Å; Y98-K101 VanDerWaalsContact CE2-NZ 3.31Å; Y98-K101 WeakPolarHBondContact O-CD 3.49Å; Y98-K101 VanDerWaalsContact O-CG 3.28Å; Y98-K101 WeakPolarHBondContact O-CG 3.37Å; K101-R315 PolarHBondContact O-NH1 2.95Å; K101-R315 PolarHBondContact O-NH2 3.26Å
102	Q	93.1	Very high	92.7	Very high	105 Å²	105	49.1 Å²	49.1	49%	0.491	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	11.5	-177.7	-85.9	173.3	-5.8	0	0	113.7	F100 M324 D325	F100-Q102 PolarHBondContact O-N 3.43Å; Q102-M324 CarbonylContact O-C 3.56Å; Q102-D325 HydrophobicContact CB-CB 3.86Å; Q102-D325 HydrophobicContact CG-CB 3.68Å
103	R	95.3	Very high	91.6	Very high	46 Å²	46	50.8 Å²	50.8	17%	0.174	25%	0.25	C	C	.	.	S	Bend	trans	-105.5	162.9	174.9	-63.5	-69.3	-175.8	124.1	0.5	110.3	F100 W105 K259 D263 R315 M324	F100-R103 HydrophobicContact CB-CB 4.49Å; F100-R103 HydrophobicContact CD1-CB 3.94Å; F100-R103 HydrophobicContact CD1-CG 3.85Å; F100-R103 HydrophobicContact CE1-CG 4.45Å; F100-R103 PolarHBondContact O-N 2.97Å; R103-W105 WeakPolarHBondContact CB-O 3.49Å; R103-K259 VanDerWaalsContact NH2-NZ 3.1Å; R103-D263 IonicContact CZ-OD1 3.57Å; R103-D263 IonicContact NH1-OD1 3.29Å; R103-D263 IonicContact NH2-OD1 3.5Å; R103-D263 PolarHBondContact NH2-OD1 2.87Å; R103-D263 IonicContact NH2-OD2 3.44Å; R103-D263 PolarHBondContact NH2-OD2 3.4Å; R103-R315 PolarHBondContact O-NH1 3.39Å; R103-M324 WeakPolarHBondContact CD-SD 3.3Å; R103-M324 VanDerWaalsContact NE-CE 3.34Å; R103-M324 PolarHBondContact NE-SD 3.09Å; R103-M324 PolarHBondContact NH1-SD 2.78Å
104	R	95.7	Very high	90.7	Very high	93 Å²	93	51.3 Å²	51.3	35%	0.351	25%	0.254	S	S	.	.	S	Bend	trans	-58.8	-52.1	176.2	-62.3	179.6	-175	156.8	2.5	111.8	T312 L329 M330 C332	R104-T312 HydrophobicContact CB-CG2 3.92Å; R104-T312 HydrophobicContact CG-CG2 3.95Å; R104-L329 VanDerWaalsContact CZ-O 3.23Å; R104-L329 PolarHBondContact NE-O 3.14Å; R104-L329 PolarHBondContact NH2-O 3.33Å; R104-M330 HydrophobicContact CB-CE 3.96Å; R104-M330 HydrophobicContact CG-CE 3.54Å; R104-C332 PolarHBondContact NE-SG 3.06Å
105	W	95.4	Very high	89.9	Confident	24 Å²	24	45 Å²	45	9%	0.091	23%	0.226	C	C	.	.	S	Bend	trans	-82	117.1	162.6	-178.8	79.1	0	0	0	108.9	F100 R103 C107 E126 T130 Y300	F100-W105 HydrophobicContact CB-CE3 4.38Å; F100-W105 HydrophobicContact CB-CZ3 4.46Å; F100-W105 AromaticContact CD1-CE3 3.45Å; F100-W105 HydrophobicContact CD1-CE3 3.45Å; F100-W105 VanDerWaalsContact CD1-CE3 3.45Å; F100-W105 AromaticContact CD1-CZ3 3.68Å; F100-W105 HydrophobicContact CD1-CZ3 3.68Å; F100-W105 WeakPolarHBondContact CD1-O 3.05Å; F100-W105 HydrophobicContact CD2-CZ3 4.01Å; F100-W105 AromaticContact CE1-CE3 3.78Å; F100-W105 HydrophobicContact CE1-CE3 3.78Å; F100-W105 AromaticContact CE1-CZ3 3.81Å; F100-W105 HydrophobicContact CE1-CZ3 3.81Å; F100-W105 HydrophobicContact CE2-CZ3 4.15Å; F100-W105 AromaticContact CG-CE3 3.89Å; F100-W105 HydrophobicContact CG-CE3 3.89Å; F100-W105 AromaticContact CG-CZ3 3.78Å; F100-W105 HydrophobicContact CG-CZ3 3.78Å; F100-W105 HydrophobicContact CZ-CE3 4.47Å; F100-W105 HydrophobicContact CZ-CZ3 4.04Å; R103-W105 WeakPolarHBondContact CB-O 3.49Å; W105-C107 HydrophobicContact CE3-CB 4.32Å; W105-C107 HydrophobicContact CH2-CB 3.58Å; W105-C107 WeakPolarHBondContact CH2-SG 3.36Å; W105-C107 HydrophobicContact CZ2-CB 3.92Å; W105-C107 HydrophobicContact CZ3-CB 3.79Å; W105-E126 HydrophobicContact CB-CG 4.29Å; W105-E126 HydrophobicContact CD2-CB 3.89Å; W105-E126 HydrophobicContact CD2-CG 3.69Å; W105-E126 HydrophobicContact CE3-CB 3.68Å; W105-E126 HydrophobicContact CE3-CG 3.43Å; W105-E126 VanDerWaalsContact CE3-CG 3.43Å; W105-E126 HydrophobicContact CG-CG 4.09Å; W105-E126 HydrophobicContact CH2-CB 3.99Å; W105-E126 HydrophobicContact CZ2-CB 4.2Å; W105-E126 HydrophobicContact CZ3-CB 3.73Å; W105-E126 HydrophobicContact CZ3-CG 3.96Å; W105-T130 WeakPolarHBondContact CH2-OG1 3.47Å; W105-Y300 HydrophobicContact CB-CD1 3.86Å; W105-Y300 HydrophobicContact CB-CD2 3.84Å; W105-Y300 HydrophobicContact CB-CE1 3.88Å; W105-Y300 HydrophobicContact CB-CE2 3.86Å; W105-Y300 HydrophobicContact CB-CG 3.84Å; W105-Y300 AromaticContact CD1-CE1 3.67Å; W105-Y300 HydrophobicContact CG-CD1 4.36Å; W105-Y300 AromaticContact CG-CE1 3.99Å; W105-Y300 HydrophobicContact CG-CE1 3.99Å; W105-Y300 HydrophobicContact CG-CE2 4.47Å
106	N	94.4	Very high	88.8	Confident	41 Å²	41	44.6 Å²	44.6	22%	0.219	22%	0.224	C	C	.	.			trans	-105.5	16.7	-173.5	69.4	-13.3	0	0	0	113.8	F100 S108	F100-N106 VanDerWaalsContact O-CA 3.32Å; F100-N106 WeakPolarHBondContact O-CA 3.39Å; N106-S108 PolarHBondContact ND2-OG 2.63Å; N106-S108 PolarHBondContact O-N 3.29Å; N106-S108 WeakPolarHBondContact OD1-CB 3.33Å; N106-S108 PolarHBondContact OD1-N 2.94Å; N106-S108 PolarHBondContact OD1-OG 3.46Å
107	C	94.6	Very high	88	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.			trans	55.9	31	-176.9	-157.4	0	0	0	0	114.4	C96 Q97 F100 W105 F116	C96-C107 HydrophobicContact CB-CB 3.96Å; C96-C107 WeakPolarHBondContact CB-SG 3.32Å; C96-C107 WeakPolarHBondContact SG-CB 3.42Å; C96-C107 CovalentContact SG-SG 2.02Å; C96-C107 PolarHBondContact SG-SG 3.36Å; Q97-C107 HydrophobicContact CG-CB 4.37Å; Q97-C107 WeakPolarHBondContact CG-O 3.48Å; F100-C107 HydrophobicContact CB-CB 4.13Å; W105-C107 HydrophobicContact CE3-CB 4.32Å; W105-C107 HydrophobicContact CH2-CB 3.58Å; W105-C107 WeakPolarHBondContact CH2-SG 3.36Å; W105-C107 HydrophobicContact CZ2-CB 3.92Å; W105-C107 HydrophobicContact CZ3-CB 3.79Å; C107-F116 WeakPolarHBondContact SG-CE1 3.45Å
108	S	89.9	Confident	87.4	Confident	36 Å²	36	48.5 Å²	48.5	25%	0.252	24%	0.239	S	C	.	.			trans	-61.9	142.1	175.8	-67.5	0	0	0	0	111.5	N106	N106-S108 PolarHBondContact ND2-OG 2.63Å; N106-S108 PolarHBondContact O-N 3.29Å; N106-S108 WeakPolarHBondContact OD1-CB 3.33Å; N106-S108 PolarHBondContact OD1-N 2.94Å; N106-S108 PolarHBondContact OD1-OG 3.46Å
109	T	85.6	Confident	86.8	Confident	55 Å²	55	44.1 Å²	44.1	34%	0.337	22%	0.222	S	C	.	.			trans	-82.8	119.3	170	52.3	0	0	0	0	109.3	L44 I93 V115	L44-T109 HydrophobicContact CD2-CG2 4.26Å; I93-T109 HydrophobicContact CG2-CG2 3.64Å; T109-V115 CarbonylContact C-O 3.52Å; T109-V115 WeakPolarHBondContact CA-O 3.49Å; T109-V115 HydrophobicContact CG2-CG1 3.64Å
110	V	79.5	Confident	86.4	Confident	70 Å²	70	43.6 Å²	43.6	42%	0.424	22%	0.22	S	C	.	.			trans	-97.3	-21.2	-173.5	-63.3	0	0	0	0	113.3	V115 L310	V110-V115 PolarHBondContact N-O 2.02Å; V110-L310 HydrophobicContact CG1-CD1 4.11Å; V110-L310 HydrophobicContact CG1-CD2 4.08Å; V110-L310 HydrophobicContact CG1-CG 4.35Å
111	D	76.1	Confident	86.1	Confident	62 Å²	62	49 Å²	49	33%	0.332	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-155.9	152.8	-176.4	162.8	50.4	0	0	0	110.2	T113 S114 V115	D111-T113 PolarHBondContact OD1-N 3.31Å; D111-T113 WeakPolarHBondContact OD2-CB 3.45Å; D111-T113 PolarHBondContact OD2-N 2.67Å; D111-T113 VanDerWaalsContact OD2-N 3.07Å; D111-T113 PolarHBondContact OD2-OG1 3.49Å; D111-S114 PolarHBondContact OD2-N 2.96Å; D111-S114 PolarHBondContact OD2-OG 2.81Å; D111-V115 WeakPolarHBondContact O-CA 3.44Å; D111-V115 PolarHBondContact O-N 3.17Å; D111-V115 VanDerWaalsContact O-N 3.11Å
112	S	72.1	Confident	86.1	Confident	71 Å²	71	46.3 Å²	46.3	50%	0.497	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.7	-179.4	60.6	0	0	0	0	113.5	S41	S41-S112 WeakPolarHBondContact CB-O 3.45Å
113	T	75.3	Confident	86.3	Confident	36 Å²	36	41.3 Å²	41.3	22%	0.221	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-47.8	-174.7	74.5	0	0	0	0	113.1	N37 S38 D111	N37-T113 WeakPolarHBondContact OD1-CB 3.13Å; S38-T113 PolarHBondContact N-O 3.32Å; D111-T113 PolarHBondContact OD1-N 3.31Å; D111-T113 WeakPolarHBondContact OD2-CB 3.45Å; D111-T113 PolarHBondContact OD2-N 2.67Å; D111-T113 VanDerWaalsContact OD2-N 3.07Å; D111-T113 PolarHBondContact OD2-OG1 3.49Å
114	S	77.4	Confident	86.4	Confident	16 Å²	16	39.1 Å²	39.1	11%	0.112	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.5	179.9	61.1	0	0	0	0	113.2	A36 D111 F116 G117	A36-S114 VanDerWaalsContact O-CA 3.28Å; A36-S114 WeakPolarHBondContact O-CA 3.34Å; A36-S114 WeakPolarHBondContact O-CB 3.35Å; D111-S114 PolarHBondContact OD2-N 2.96Å; D111-S114 PolarHBondContact OD2-OG 2.81Å; S114-F116 PolarHBondContact O-N 3.41Å; S114-G117 WeakPolarHBondContact OG-CA 3.5Å; S114-G117 PolarHBondContact OG-N 3.19Å
115	V	81.8	Confident	86.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	63.9	-66.6	-176.3	-176.1	0	0	0	0	112.5	W40 S41 L44 I93 T109 V110 D111	W40-V115 HydrophobicContact CB-CB 4.01Å; W40-V115 HydrophobicContact CB-CG1 4.38Å; W40-V115 HydrophobicContact CB-CG2 3.65Å; S41-V115 VanDerWaalsContact N-CG2 3.32Å; L44-V115 HydrophobicContact CD1-CB 4.43Å; L44-V115 HydrophobicContact CD1-CG1 4.24Å; L44-V115 HydrophobicContact CD1-CG2 3.88Å; L44-V115 HydrophobicContact CG-CG2 4.35Å; I93-V115 HydrophobicContact CD1-CG1 3.73Å; I93-V115 HydrophobicContact CG1-CG1 4.09Å; T109-V115 CarbonylContact C-O 3.52Å; T109-V115 WeakPolarHBondContact CA-O 3.49Å; T109-V115 HydrophobicContact CG2-CG1 3.64Å; V110-V115 PolarHBondContact N-O 2.02Å; D111-V115 WeakPolarHBondContact O-CA 3.44Å; D111-V115 PolarHBondContact O-N 3.17Å; D111-V115 VanDerWaalsContact O-N 3.11Å
116	F	74.9	Confident	86.7	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	20%	0.2	C	C	.	.	S	Bend	trans	-100	-4.9	-176.8	-54.5	-71.7	0	0	0	113.3	W40 I93 C107 S114 V119 M120 T130	W40-F116 HydrophobicContact CD2-CD2 4.12Å; W40-F116 AromaticContact CD2-CE2 3.97Å; W40-F116 HydrophobicContact CD2-CE2 3.97Å; W40-F116 AromaticContact CE3-CD2 3.52Å; W40-F116 HydrophobicContact CE3-CD2 3.52Å; W40-F116 AromaticContact CE3-CE2 3.87Å; W40-F116 HydrophobicContact CE3-CE2 3.87Å; W40-F116 HydrophobicContact CG-CE2 4.31Å; W40-F116 AromaticContact CZ3-CD2 3.86Å; W40-F116 HydrophobicContact CZ3-CD2 3.86Å; W40-F116 HydrophobicContact CZ3-CE2 4.44Å; I93-F116 HydrophobicContact CB-CZ 4.39Å; I93-F116 HydrophobicContact CG1-CE1 4.38Å; I93-F116 HydrophobicContact CG1-CE2 4.3Å; I93-F116 HydrophobicContact CG1-CZ 3.64Å; I93-F116 HydrophobicContact CG2-CE1 4.48Å; C107-F116 WeakPolarHBondContact SG-CE1 3.45Å; S114-F116 PolarHBondContact O-N 3.41Å; F116-V119 HydrophobicContact CB-CG1 4.32Å; F116-V119 VanDerWaalsContact O-CG1 3.27Å; F116-V119 WeakPolarHBondContact O-CG1 3.05Å; F116-M120 HydrophobicContact CB-CG 3.47Å; F116-M120 VanDerWaalsContact CB-CG 3.47Å; F116-M120 HydrophobicContact CB-SD 3.78Å; F116-M120 HydrophobicContact CD2-CG 4.48Å; F116-M120 HydrophobicContact CD2-SD 4.46Å; F116-M120 HydrophobicContact CG-CG 4.41Å; F116-M120 HydrophobicContact CG-SD 4.35Å; F116-T130 HydrophobicContact CD2-CG2 3.48Å; F116-T130 VanDerWaalsContact CD2-CG2 3.48Å; F116-T130 HydrophobicContact CE1-CG2 4.46Å; F116-T130 HydrophobicContact CE2-CG2 3.24Å; F116-T130 HydrophobicContact CG-CG2 4.17Å; F116-T130 HydrophobicContact CZ-CG2 3.77Å
117	G	82.1	Confident	86.8	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	67	-150.3	173.5	0	0	0	0	0	114.9	S114 V119 M120	S114-G117 WeakPolarHBondContact OG-CA 3.5Å; S114-G117 PolarHBondContact OG-N 3.19Å; G117-V119 PolarHBondContact O-N 3.16Å; G117-M120 WeakPolarHBondContact O-CB 3.44Å; G117-M120 PolarHBondContact O-N 3.3Å; G117-M120 VanDerWaalsContact O-N 3.16Å
118	R	84.1	Confident	87	Confident	137 Å²	137	36.2 Å²	36.2	52%	0.517	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66.1	-21	-167.8	-69.9	172.9	-177.1	-119.4	4.3	114.7	M120 H121 E305	R118-M120 PolarHBondContact O-N 3.45Å; R118-M120 VanDerWaalsContact O-N 3.1Å; R118-H121 WeakPolarHBondContact O-CB 3.41Å; R118-H121 PolarHBondContact O-N 2.78Å; R118-E305 WeakPolarHBondContact CD-O 3.32Å
119	V	86	Confident	87.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.3	-28.4	175.8	77.6	0	0	0	0	111.4	F116 G117 H121 I122 T127 Y300 T307	F116-V119 HydrophobicContact CB-CG1 4.32Å; F116-V119 VanDerWaalsContact O-CG1 3.27Å; F116-V119 WeakPolarHBondContact O-CG1 3.05Å; G117-V119 PolarHBondContact O-N 3.16Å; V119-H121 PolarHBondContact O-N 2.84Å; V119-I122 PolarHBondContact O-N 3.26Å; V119-I122 VanDerWaalsContact O-N 3.14Å; V119-T127 PolarHBondContact O-OG1 3.48Å; V119-Y300 HydrophobicContact CG2-CE1 3.9Å; V119-Y300 VanDerWaalsContact CG2-OH 3.24Å; V119-Y300 WeakPolarHBondContact CG2-OH 3.16Å; V119-T307 WeakPolarHBondContact CA-O 3.49Å; V119-T307 PolarHBondContact N-O 3.14Å
120	M	90	Very high	88	Confident	19 Å²	19	31.9 Å²	31.9	9%	0.094	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-77.2	-2.8	179	-56	-49.8	-67.3	0	0	114.2	W40 F116 G117 R118 I122 T127 T130 Y131 R207	W40-M120 HydrophobicContact CH2-CE 3.25Å; W40-M120 HydrophobicContact CZ2-CE 4.25Å; W40-M120 HydrophobicContact CZ3-CB 4.37Å; W40-M120 HydrophobicContact CZ3-CE 3.57Å; W40-M120 HydrophobicContact CZ3-CG 3.91Å; W40-M120 HydrophobicContact CZ3-SD 4.44Å; F116-M120 HydrophobicContact CB-CG 3.47Å; F116-M120 VanDerWaalsContact CB-CG 3.47Å; F116-M120 HydrophobicContact CB-SD 3.78Å; F116-M120 HydrophobicContact CD2-CG 4.48Å; F116-M120 HydrophobicContact CD2-SD 4.46Å; F116-M120 HydrophobicContact CG-CG 4.41Å; F116-M120 HydrophobicContact CG-SD 4.35Å; G117-M120 WeakPolarHBondContact O-CB 3.44Å; G117-M120 PolarHBondContact O-N 3.3Å; G117-M120 VanDerWaalsContact O-N 3.16Å; R118-M120 PolarHBondContact O-N 3.45Å; R118-M120 VanDerWaalsContact O-N 3.1Å; M120-I122 VanDerWaalsContact C-N 3.35Å; M120-T127 HydrophobicContact CE-CG2 3.43Å; M120-T127 VanDerWaalsContact CE-CG2 3.43Å; M120-T127 HydrophobicContact SD-CG2 4.29Å; M120-T130 HydrophobicContact CE-CG2 3.49Å; M120-T130 VanDerWaalsContact CE-CG2 3.49Å; M120-T130 HydrophobicContact SD-CG2 4.14Å; M120-Y131 HydrophobicContact CE-CD2 4.01Å; M120-Y131 HydrophobicContact CE-CE2 3.93Å; M120-R207 PolarHBondContact O-NH2 2.66Å
121	H	90.4	Very high	88.9	Confident	115 Å²	115	29.9 Å²	29.9	53%	0.532	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-85	-13.6	167.9	-62.5	-59	0	0	0	112.4	R118 V119	R118-H121 WeakPolarHBondContact O-CB 3.41Å; R118-H121 PolarHBondContact O-N 2.78Å; V119-H121 PolarHBondContact O-N 2.84Å
122	I	94.7	Very high	90	Very high	33 Å²	33	26.9 Å²	26.9	17%	0.169	13%	0.13	C	C	.	.	S	Bend	trans	-93.5	133.7	-178.5	-53.9	172	0	0	0	109.7	V119 M120 S124 T127 R207 D295 P298 T307	V119-I122 PolarHBondContact O-N 3.26Å; V119-I122 VanDerWaalsContact O-N 3.14Å; M120-I122 VanDerWaalsContact C-N 3.35Å; I122-S124 PolarHBondContact O-N 3.26Å; I122-T127 WeakPolarHBondContact O-CB 3.43Å; I122-T127 PolarHBondContact O-OG1 2.66Å; I122-R207 VanDerWaalsContact O-CZ 3.25Å; I122-R207 PolarHBondContact O-NH1 2.89Å; I122-R207 PolarHBondContact O-NH2 2.95Å; I122-D295 HydrophobicContact CG2-CB 3.83Å; I122-P298 HydrophobicContact CD1-CB 4.26Å; I122-P298 HydrophobicContact CD1-CG 3.88Å; I122-T307 HydrophobicContact CD1-CG2 4.39Å
123	G	97	Very high	91.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.			trans	-51.1	18.8	168.9	0	0	0	0	0	118.6	Y293 I294 D295	G123-Y293 WeakPolarHBondContact O-CB 3.38Å; G123-I294 PolarHBondContact O-N 2.92Å; G123-D295 WeakPolarHBondContact CA-OD2 3.33Å; G123-D295 PolarHBondContact N-OD2 3.21Å; G123-D295 PolarHBondContact O-N 3.1Å
124	S	98	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.096	C	C	.	.			trans	-83.7	168.3	-161.5	81.1	0	0	0	0	115	I122 E126 T127 A128 D295	I122-S124 PolarHBondContact O-N 3.26Å; S124-E126 VanDerWaalsContact C-N 3.26Å; S124-E126 VanDerWaalsContact CB-OE2 3.23Å; S124-E126 WeakPolarHBondContact CB-OE2 3.44Å; S124-E126 PolarHBondContact O-N 2.73Å; S124-E126 PolarHBondContact OG-N 3.13Å; S124-E126 PolarHBondContact OG-OE2 2.99Å; S124-T127 WeakPolarHBondContact O-CB 3.39Å; S124-T127 PolarHBondContact O-N 3.37Å; S124-T127 VanDerWaalsContact O-N 3.15Å; S124-T127 PolarHBondContact OG-N 3.23Å; S124-A128 PolarHBondContact O-N 2.81Å; S124-D295 WeakPolarHBondContact CA-O 3.28Å
125	R	98	Very high	93.3	Very high	88 Å²	88	21 Å²	21	33%	0.332	9%	0.091	S	C	.	.	H	α-helix	trans	-57.3	-38.2	173.1	-71	-173.1	-77.8	-175.9	-5.8	112.4	T127 A128 F129 Y262 A265 Y293	R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.24Å; R125-A128 WeakPolarHBondContact O-CB 3.33Å; R125-A128 PolarHBondContact O-N 2.7Å; R125-F129 PolarHBondContact O-N 3.19Å; R125-Y262 VanDerWaalsContact C-CE2 3.47Å; R125-Y262 HydrophobicContact CB-CD2 3.95Å; R125-Y262 HydrophobicContact CB-CE2 3.49Å; R125-Y262 VanDerWaalsContact CB-CE2 3.49Å; R125-Y262 WeakPolarHBondContact O-CD2 3.41Å; R125-Y262 WeakPolarHBondContact O-CE2 3.27Å; R125-A265 HydrophobicContact CG-CB 4.1Å; R125-Y293 HydrophobicContact CG-CD1 3.36Å; R125-Y293 HydrophobicContact CG-CD2 4.14Å; R125-Y293 HydrophobicContact CG-CE1 3.57Å; R125-Y293 HydrophobicContact CG-CE2 4.32Å; R125-Y293 HydrophobicContact CG-CG 3.64Å
126	E	97.6	Very high	94.1	Very high	8 Å²	8	21 Å²	21	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-37.7	178.7	-63.3	67.8	-142.4	0	0	111	W105 S124 T130 Y262 S297 Y300	W105-E126 HydrophobicContact CB-CG 4.29Å; W105-E126 HydrophobicContact CD2-CB 3.89Å; W105-E126 HydrophobicContact CD2-CG 3.69Å; W105-E126 HydrophobicContact CE3-CB 3.68Å; W105-E126 HydrophobicContact CE3-CG 3.43Å; W105-E126 VanDerWaalsContact CE3-CG 3.43Å; W105-E126 HydrophobicContact CG-CG 4.09Å; W105-E126 HydrophobicContact CH2-CB 3.99Å; W105-E126 HydrophobicContact CZ2-CB 4.2Å; W105-E126 HydrophobicContact CZ3-CB 3.73Å; W105-E126 HydrophobicContact CZ3-CG 3.96Å; S124-E126 VanDerWaalsContact C-N 3.26Å; S124-E126 VanDerWaalsContact CB-OE2 3.23Å; S124-E126 WeakPolarHBondContact CB-OE2 3.44Å; S124-E126 PolarHBondContact O-N 2.73Å; S124-E126 PolarHBondContact OG-N 3.13Å; S124-E126 PolarHBondContact OG-OE2 2.99Å; E126-T130 WeakPolarHBondContact O-CB 3.16Å; E126-T130 PolarHBondContact O-N 3.03Å; E126-T130 PolarHBondContact O-OG1 3.38Å; E126-Y262 HydrophobicContact CG-CE2 4.32Å; E126-Y262 PolarHBondContact OE1-OH 3.39Å; E126-S297 PolarHBondContact OE1-OG 3.34Å; E126-S297 WeakPolarHBondContact OE2-CB 3.47Å; E126-S297 PolarHBondContact OE2-OG 3.44Å; E126-Y300 HydrophobicContact CG-CE2 4.07Å; E126-Y300 PolarHBondContact OE2-OH 2.88Å
127	T	97.4	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.6	-43.6	173.7	-59.6	0	0	0	0	111	V119 M120 I122 S124 R125 F129 T130 Y131 M210	V119-T127 PolarHBondContact O-OG1 3.48Å; M120-T127 HydrophobicContact CE-CG2 3.43Å; M120-T127 VanDerWaalsContact CE-CG2 3.43Å; M120-T127 HydrophobicContact SD-CG2 4.29Å; I122-T127 WeakPolarHBondContact O-CB 3.43Å; I122-T127 PolarHBondContact O-OG1 2.66Å; S124-T127 WeakPolarHBondContact O-CB 3.39Å; S124-T127 PolarHBondContact O-N 3.37Å; S124-T127 VanDerWaalsContact O-N 3.15Å; S124-T127 PolarHBondContact OG-N 3.23Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.24Å; T127-F129 VanDerWaalsContact C-N 3.31Å; T127-F129 PolarHBondContact O-N 2.94Å; T127-T130 PolarHBondContact O-N 2.83Å; T127-T130 VanDerWaalsContact O-N 3.15Å; T127-Y131 HydrophobicContact CG2-CD2 3.67Å; T127-Y131 HydrophobicContact CG2-CE2 3.64Å; T127-Y131 WeakPolarHBondContact O-CD2 3.42Å; T127-Y131 PolarHBondContact O-N 3.26Å; T127-M210 HydrophobicContact CG2-CE 4.32Å
128	A	98.5	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54.5	-48.1	176.5	0	0	0	0	0	111.8	S124 R125 T130 Y131 A132 N214 M291 V292	S124-A128 PolarHBondContact O-N 2.81Å; R125-A128 WeakPolarHBondContact O-CB 3.33Å; R125-A128 PolarHBondContact O-N 2.7Å; A128-T130 PolarHBondContact O-N 2.74Å; A128-Y131 PolarHBondContact O-N 3.01Å; A128-A132 PolarHBondContact O-N 3.25Å; A128-A132 VanDerWaalsContact O-N 3.1Å; A128-N214 WeakPolarHBondContact CA-ND2 3.35Å; A128-N214 WeakPolarHBondContact CB-ND2 3.23Å; A128-M291 HydrophobicContact CB-CB 4.45Å; A128-V292 WeakPolarHBondContact CB-O 3.37Å
129	F	98.6	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-44.5	176.3	-177.1	-85.6	0	0	0	112.2	C96 Q99 F100 R125 T127 Y131 A132 I133 L258 K259 Y262 M291	C96-F129 HydrophobicContact CB-CE1 3.95Å; Q99-F129 HydrophobicContact CB-CZ 4.22Å; Q99-F129 HydrophobicContact CG-CZ 4.24Å; F100-F129 HydrophobicContact CD2-CD1 4.26Å; F100-F129 HydrophobicContact CD2-CE1 4.12Å; F100-F129 HydrophobicContact CE2-CB 4.43Å; F100-F129 AromaticContact CE2-CD1 3.47Å; F100-F129 HydrophobicContact CE2-CD1 3.47Å; F100-F129 VanDerWaalsContact CE2-CD1 3.47Å; F100-F129 AromaticContact CE2-CD2 3.99Å; F100-F129 HydrophobicContact CE2-CD2 3.99Å; F100-F129 AromaticContact CE2-CE1 3.6Å; F100-F129 HydrophobicContact CE2-CE1 3.6Å; F100-F129 HydrophobicContact CE2-CE2 4.08Å; F100-F129 AromaticContact CE2-CG 3.68Å; F100-F129 HydrophobicContact CE2-CG 3.68Å; F100-F129 AromaticContact CE2-CZ 3.91Å; F100-F129 HydrophobicContact CE2-CZ 3.91Å; F100-F129 HydrophobicContact CZ-CB 4.35Å; F100-F129 HydrophobicContact CZ-CD1 4.21Å; F100-F129 HydrophobicContact CZ-CD2 4.37Å; F100-F129 HydrophobicContact CZ-CG 4.04Å; R125-F129 PolarHBondContact O-N 3.19Å; T127-F129 VanDerWaalsContact C-N 3.31Å; T127-F129 PolarHBondContact O-N 2.94Å; F129-Y131 PolarHBondContact O-N 3.4Å; F129-A132 PolarHBondContact O-N 3.36Å; F129-I133 HydrophobicContact CD1-CB 4.32Å; F129-I133 HydrophobicContact CD1-CG2 4.03Å; F129-I133 HydrophobicContact CE1-CB 3.85Å; F129-I133 HydrophobicContact CE1-CG1 4.18Å; F129-I133 HydrophobicContact CE1-CG2 3.8Å; F129-I133 HydrophobicContact CZ-CB 4.21Å; F129-I133 HydrophobicContact CZ-CD1 4.45Å; F129-I133 HydrophobicContact CZ-CG1 4.33Å; F129-I133 WeakPolarHBondContact O-CG2 3.24Å; F129-I133 PolarHBondContact O-N 3.23Å; F129-L258 HydrophobicContact CD2-CB 4.34Å; F129-L258 HydrophobicContact CE2-CB 3.79Å; F129-K259 HydrophobicContact CE2-CB 4.17Å; F129-Y262 HydrophobicContact CB-CD2 3.85Å; F129-Y262 HydrophobicContact CB-CG 4.48Å; F129-Y262 HydrophobicContact CD2-CG 4.45Å; F129-M291 HydrophobicContact CB-SD 4.16Å; F129-M291 HydrophobicContact CD2-CE 3.83Å; F129-M291 HydrophobicContact CD2-SD 4.29Å
130	T	97.9	Very high	97.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-42.2	-180	-58.7	0	0	0	0	112.5	W40 W105 F116 M120 E126 T127 A128 S134	W40-T130 HydrophobicContact CH2-CG2 4.11Å; W40-T130 HydrophobicContact CZ2-CG2 4.12Å; W40-T130 HydrophobicContact CZ3-CG2 4.41Å; W105-T130 WeakPolarHBondContact CH2-OG1 3.47Å; F116-T130 HydrophobicContact CD2-CG2 3.48Å; F116-T130 VanDerWaalsContact CD2-CG2 3.48Å; F116-T130 HydrophobicContact CE1-CG2 4.46Å; F116-T130 HydrophobicContact CE2-CG2 3.24Å; F116-T130 HydrophobicContact CG-CG2 4.17Å; F116-T130 HydrophobicContact CZ-CG2 3.77Å; M120-T130 HydrophobicContact CE-CG2 3.49Å; M120-T130 VanDerWaalsContact CE-CG2 3.49Å; M120-T130 HydrophobicContact SD-CG2 4.14Å; E126-T130 WeakPolarHBondContact O-CB 3.16Å; E126-T130 PolarHBondContact O-N 3.03Å; E126-T130 PolarHBondContact O-OG1 3.38Å; T127-T130 PolarHBondContact O-N 2.83Å; T127-T130 VanDerWaalsContact O-N 3.15Å; A128-T130 PolarHBondContact O-N 2.74Å; T130-S134 WeakPolarHBondContact O-CB 3.38Å; T130-S134 PolarHBondContact O-N 2.75Å; T130-S134 VanDerWaalsContact O-N 3.13Å; T130-S134 PolarHBondContact O-OG 3.28Å
131	Y	98.4	Very high	97.8	Very high	28 Å²	28	14 Å²	14	11%	0.11	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-47.4	174.4	-88.8	-102.8	0	0	0	111	W40 M120 T127 A128 F129 S134 A135 E193 N211 N215	W40-Y131 AromaticContact CH2-CD2 3.95Å; W40-Y131 HydrophobicContact CH2-CD2 3.95Å; W40-Y131 AromaticContact CH2-CE2 3.6Å; W40-Y131 HydrophobicContact CH2-CE2 3.6Å; W40-Y131 AromaticContact CZ2-CD2 4Å; W40-Y131 HydrophobicContact CZ2-CD2 4Å; W40-Y131 HydrophobicContact CZ2-CE1 4.46Å; W40-Y131 AromaticContact CZ2-CE2 3.99Å; W40-Y131 HydrophobicContact CZ2-CE2 3.99Å; W40-Y131 HydrophobicContact CZ2-CG 4.29Å; M120-Y131 HydrophobicContact CE-CD2 4.01Å; M120-Y131 HydrophobicContact CE-CE2 3.93Å; T127-Y131 HydrophobicContact CG2-CD2 3.67Å; T127-Y131 HydrophobicContact CG2-CE2 3.64Å; T127-Y131 WeakPolarHBondContact O-CD2 3.42Å; T127-Y131 PolarHBondContact O-N 3.26Å; A128-Y131 PolarHBondContact O-N 3.01Å; F129-Y131 PolarHBondContact O-N 3.4Å; Y131-S134 PolarHBondContact O-N 3.46Å; Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 3.24Å; Y131-E193 HydrophobicContact CE1-CG 4.48Å; Y131-E193 WeakPolarHBondContact CE1-OE1 3.4Å; Y131-E193 PolarHBondContact OH-OE1 3.41Å; Y131-N211 HydrophobicContact CD1-CB 3.8Å; Y131-N211 HydrophobicContact CE1-CB 3.52Å; Y131-N211 VanDerWaalsContact CE1-CG 3.44Å; Y131-N211 PolarHBondContact OH-ND2 2.89Å; Y131-N215 VanDerWaalsContact CD1-OD1 3.27Å; Y131-N215 WeakPolarHBondContact CD1-OD1 3.44Å; Y131-N215 PolarHBondContact O-OD1 3.32Å
132	A	98.8	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.1	-52	179.9	0	0	0	0	0	112.9	A128 F129 S134 A135 A136 N214 G218 L258 M291	A128-A132 PolarHBondContact O-N 3.25Å; A128-A132 VanDerWaalsContact O-N 3.1Å; F129-A132 PolarHBondContact O-N 3.36Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.45Å; A132-A135 PolarHBondContact O-N 3.37Å; A132-A136 VanDerWaalsContact O-CB 3.32Å; A132-A136 WeakPolarHBondContact O-CB 3.02Å; A132-A136 PolarHBondContact O-N 3.01Å; A132-N214 WeakPolarHBondContact CA-O 3.38Å; A132-N214 VanDerWaalsContact CB-O 3.26Å; A132-N214 WeakPolarHBondContact CB-O 3.01Å; A132-G218 WeakPolarHBondContact O-CA 3.46Å; A132-L258 HydrophobicContact CB-CD1 4.48Å; A132-L258 HydrophobicContact CB-CD2 4.14Å; A132-M291 HydrophobicContact CB-CE 3.69Å
133	I	98.8	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67	-30.6	-177.9	-164	64.1	0	0	0	112.3	E95 C96 F129 G137 F251 L258	E95-I133 HydrophobicContact CB-CD1 4.36Å; E95-I133 HydrophobicContact CB-CG1 4.38Å; E95-I133 HydrophobicContact CG-CD1 4.08Å; C96-I133 HydrophobicContact CB-CG2 4.13Å; F129-I133 HydrophobicContact CD1-CB 4.32Å; F129-I133 HydrophobicContact CD1-CG2 4.03Å; F129-I133 HydrophobicContact CE1-CB 3.85Å; F129-I133 HydrophobicContact CE1-CG1 4.18Å; F129-I133 HydrophobicContact CE1-CG2 3.8Å; F129-I133 HydrophobicContact CZ-CB 4.21Å; F129-I133 HydrophobicContact CZ-CD1 4.45Å; F129-I133 HydrophobicContact CZ-CG1 4.33Å; F129-I133 WeakPolarHBondContact O-CG2 3.24Å; F129-I133 PolarHBondContact O-N 3.23Å; I133-G137 PolarHBondContact O-N 3.4Å; I133-F251 HydrophobicContact CD1-CE1 3.8Å; I133-F251 HydrophobicContact CD1-CZ 3.77Å; I133-F251 HydrophobicContact CG1-CE1 4.28Å; I133-F251 HydrophobicContact CG1-CZ 4.3Å; I133-L258 HydrophobicContact CB-CD1 4.31Å; I133-L258 HydrophobicContact CD1-CD1 3.67Å
134	S	98.2	Very high	98.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-71.5	-43.8	176.1	-59.4	0	0	0	0	111.7	W40 T130 Y131 A132 A136 G137 V138	W40-S134 VanDerWaalsContact NE1-CB 3.29Å; W40-S134 PolarHBondContact NE1-OG 2.93Å; T130-S134 WeakPolarHBondContact O-CB 3.38Å; T130-S134 PolarHBondContact O-N 2.75Å; T130-S134 VanDerWaalsContact O-N 3.13Å; T130-S134 PolarHBondContact O-OG 3.28Å; Y131-S134 PolarHBondContact O-N 3.46Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.45Å; S134-A136 VanDerWaalsContact C-N 3.34Å; S134-G137 PolarHBondContact O-N 3.46Å; S134-V138 PolarHBondContact O-N 3.02Å
135	A	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-43.4	173.7	0	0	0	0	0	111.2	Y131 A132 G137 V138 V139 V189 N215 R219	Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 3.24Å; A132-A135 PolarHBondContact O-N 3.37Å; A135-G137 VanDerWaalsContact C-N 3.33Å; A135-G137 PolarHBondContact O-N 2.89Å; A135-V138 PolarHBondContact O-N 2.83Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.13Å; A135-V139 VanDerWaalsContact O-N 3.1Å; A135-V189 HydrophobicContact CB-CG1 4.29Å; A135-N215 HydrophobicContact CB-CB 4.15Å; A135-N215 WeakPolarHBondContact CB-O 3.47Å; A135-R219 HydrophobicContact CB-CG 4.28Å
136	A	98.8	Very high	98.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-57.8	-44.2	173.8	0	0	0	0	0	112.1	A132 S134 V138 V139 N140 G218 V222 F251 V254 L258	A132-A136 VanDerWaalsContact O-CB 3.32Å; A132-A136 WeakPolarHBondContact O-CB 3.02Å; A132-A136 PolarHBondContact O-N 3.01Å; S134-A136 VanDerWaalsContact C-N 3.34Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.34Å; A136-V139 PolarHBondContact O-N 2.87Å; A136-N140 WeakPolarHBondContact O-CB 3.46Å; A136-N140 PolarHBondContact O-N 3.15Å; A136-G218 WeakPolarHBondContact CB-O 3.36Å; A136-V222 HydrophobicContact CB-CG2 3.53Å; A136-V222 WeakPolarHBondContact O-CG2 3.13Å; A136-F251 HydrophobicContact CB-CE2 4.19Å; A136-F251 HydrophobicContact CB-CZ 4.31Å; A136-V254 HydrophobicContact CB-CG1 4.1Å; A136-L258 HydrophobicContact CB-CD1 4.05Å
137	G	98.7	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.6	-44.3	177.2	0	0	0	0	0	112.7	G88 I133 S134 A135 N140 A141	G88-G137 VanDerWaalsContact CA-C 3.47Å; G88-G137 WeakPolarHBondContact CA-O 2.96Å; G88-G137 WeakPolarHBondContact O-CA 3.38Å; I133-G137 PolarHBondContact O-N 3.4Å; S134-G137 PolarHBondContact O-N 3.46Å; A135-G137 VanDerWaalsContact C-N 3.33Å; A135-G137 PolarHBondContact O-N 2.89Å; G137-N140 PolarHBondContact O-N 3.04Å; G137-A141 WeakPolarHBondContact O-CB 3.37Å; G137-A141 PolarHBondContact O-N 2.87Å
138	V	98.7	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.2	-43.4	177.3	177.4	0	0	0	0	111.7	W39 I85 S134 A135 A136 N140 A141 I142 A185 V189	W39-V138 HydrophobicContact CH2-CG2 3.42Å; W39-V138 VanDerWaalsContact CH2-CG2 3.42Å; W39-V138 HydrophobicContact CZ3-CG2 3.58Å; I85-V138 HydrophobicContact CG1-CG1 4.42Å; I85-V138 HydrophobicContact CG2-CG2 4.42Å; S134-V138 PolarHBondContact O-N 3.02Å; A135-V138 PolarHBondContact O-N 2.83Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.34Å; V138-N140 VanDerWaalsContact C-N 3.31Å; V138-N140 PolarHBondContact O-N 3.37Å; V138-A141 PolarHBondContact O-N 3.31Å; V138-I142 HydrophobicContact CG1-CG1 4.04Å; V138-I142 WeakPolarHBondContact O-CB 3.34Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.45Å; V138-I142 PolarHBondContact O-N 2.78Å; V138-A185 HydrophobicContact CB-CB 4.2Å; V138-A185 HydrophobicContact CG1-CB 3.83Å; V138-V189 HydrophobicContact CB-CG2 4.28Å; V138-V189 HydrophobicContact CG1-CG2 4.42Å; V138-V189 HydrophobicContact CG2-CG2 4.11Å
139	V	98.8	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.1	-47.3	174.8	178.6	0	0	0	0	110.3	A135 A136 S143 V178 A185 R219 V222	A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 3.13Å; A135-V139 VanDerWaalsContact O-N 3.1Å; A136-V139 PolarHBondContact O-N 2.87Å; V139-S143 WeakPolarHBondContact O-CB 3.11Å; V139-S143 PolarHBondContact O-N 2.68Å; V139-S143 PolarHBondContact O-OG 3.49Å; V139-V178 HydrophobicContact CG1-CG1 4.5Å; V139-A185 HydrophobicContact CG2-CB 3.49Å; V139-A185 VanDerWaalsContact CG2-CB 3.49Å; V139-R219 HydrophobicContact CG2-CB 4.11Å; V139-R219 HydrophobicContact CG2-CG 3.7Å; V139-V222 HydrophobicContact CB-CB 4.25Å; V139-V222 HydrophobicContact CB-CG1 4.14Å; V139-V222 HydrophobicContact CB-CG2 4.35Å; V139-V222 HydrophobicContact CG1-CB 3.94Å; V139-V222 HydrophobicContact CG1-CG1 3.58Å
140	N	98.7	Very high	98.3	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.053	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-50.1	-178.1	-172.5	-88.2	0	0	0	112.3	A136 G137 V138 R144 F251	A136-N140 WeakPolarHBondContact O-CB 3.46Å; A136-N140 PolarHBondContact O-N 3.15Å; G137-N140 PolarHBondContact O-N 3.04Å; V138-N140 VanDerWaalsContact C-N 3.31Å; V138-N140 PolarHBondContact O-N 3.37Å; N140-R144 WeakPolarHBondContact O-CG 3.33Å; N140-R144 PolarHBondContact O-N 3Å; N140-F251 HydrophobicContact CB-CD2 3.83Å; N140-F251 HydrophobicContact CB-CE2 3.93Å
141	A	98.6	Very high	98.2	Very high	13 Å²	13	21.1 Å²	21.1	11%	0.107	11%	0.113	C	C	.	.	H	α-helix	trans	-65.9	-47.7	-177.5	0	0	0	0	0	112.3	Y84 G137 V138 S143 R144 A145	Y84-A141 VanDerWaalsContact O-CB 3.26Å; Y84-A141 WeakPolarHBondContact O-CB 3.1Å; G137-A141 WeakPolarHBondContact O-CB 3.37Å; G137-A141 PolarHBondContact O-N 2.87Å; V138-A141 PolarHBondContact O-N 3.31Å; A141-S143 PolarHBondContact O-N 3.01Å; A141-R144 PolarHBondContact O-N 3.15Å; A141-A145 WeakPolarHBondContact O-CB 3.27Å; A141-A145 PolarHBondContact O-N 3.27Å
142	I	98.6	Very high	98	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-42.3	-178.6	-64.5	-67	0	0	0	111.3	H81 I85 V138 R144 A145 C146 L151 Y180 F184	H81-I142 HydrophobicContact CB-CD1 4.15Å; I85-I142 HydrophobicContact CG1-CD1 4.35Å; V138-I142 HydrophobicContact CG1-CG1 4.04Å; V138-I142 WeakPolarHBondContact O-CB 3.34Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.45Å; V138-I142 PolarHBondContact O-N 2.78Å; I142-R144 VanDerWaalsContact C-N 3.31Å; I142-R144 PolarHBondContact O-N 3.19Å; I142-A145 PolarHBondContact O-N 3.43Å; I142-C146 PolarHBondContact O-N 2.81Å; I142-C146 PolarHBondContact O-SG 2.94Å; I142-L151 HydrophobicContact CD1-CD1 4.24Å; I142-L151 HydrophobicContact CG2-CD1 4.03Å; I142-Y180 HydrophobicContact CG2-CD1 3.8Å; I142-Y180 HydrophobicContact CG2-CE1 3.78Å; I142-F184 HydrophobicContact CD1-CD1 4.26Å; I142-F184 HydrophobicContact CD1-CE1 4.12Å; I142-F184 HydrophobicContact CG1-CD1 3.98Å; I142-F184 HydrophobicContact CG1-CE1 4.25Å; I142-F184 HydrophobicContact CG2-CB 4.47Å; I142-F184 HydrophobicContact CG2-CD1 4.33Å
143	S	98.6	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-34.8	179.2	-70.9	0	0	0	0	113.6	V139 A141 R147 N177 V178 G181	V139-S143 WeakPolarHBondContact O-CB 3.11Å; V139-S143 PolarHBondContact O-N 2.68Å; V139-S143 PolarHBondContact O-OG 3.49Å; A141-S143 PolarHBondContact O-N 3.01Å; S143-R147 PolarHBondContact O-N 2.95Å; S143-N177 WeakPolarHBondContact CB-O 3.28Å; S143-N177 PolarHBondContact O-N 3.4Å; S143-N177 PolarHBondContact OG-O 2.87Å; S143-V178 VanDerWaalsContact OG-CA 3.24Å; S143-V178 WeakPolarHBondContact OG-CA 3.49Å; S143-G181 WeakPolarHBondContact OG-CA 3.39Å
144	R	98.4	Very high	97.8	Very high	76 Å²	76	29.1 Å²	29.1	29%	0.287	17%	0.17	S	C	.	.	H	α-helix	trans	-73.5	-42.6	174.1	-72.1	-179.8	176.6	-163.4	3.1	111.6	N140 A141 I142 C146 R147 D148 L248 A249	N140-R144 WeakPolarHBondContact O-CG 3.33Å; N140-R144 PolarHBondContact O-N 3Å; A141-R144 PolarHBondContact O-N 3.15Å; I142-R144 VanDerWaalsContact C-N 3.31Å; I142-R144 PolarHBondContact O-N 3.19Å; R144-C146 VanDerWaalsContact C-N 3.26Å; R144-C146 PolarHBondContact O-N 2.87Å; R144-R147 WeakPolarHBondContact O-CA 3.5Å; R144-R147 WeakPolarHBondContact O-CB 3.36Å; R144-R147 PolarHBondContact O-N 2.79Å; R144-D148 VanDerWaalsContact O-CG 3.24Å; R144-D148 PolarHBondContact O-N 3.13Å; R144-L248 HydrophobicContact CG-CD1 4.17Å; R144-A249 PolarHBondContact NH2-O 3.41Å
145	A	98.4	Very high	97.8	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-38.5	175.1	0	0	0	0	0	112.4	Y84 A141 I142 D148 G149 E150 L151	Y84-A145 HydrophobicContact CD1-CB 3.57Å; Y84-A145 HydrophobicContact CD2-CB 3.76Å; Y84-A145 HydrophobicContact CE1-CB 3.68Å; Y84-A145 HydrophobicContact CE2-CB 3.82Å; Y84-A145 HydrophobicContact CG-CB 3.62Å; A141-A145 WeakPolarHBondContact O-CB 3.27Å; A141-A145 PolarHBondContact O-N 3.27Å; I142-A145 PolarHBondContact O-N 3.43Å; A145-D148 PolarHBondContact O-N 3.06Å; A145-G149 PolarHBondContact O-N 3.11Å; A145-G149 VanDerWaalsContact O-N 3.14Å; A145-E150 HydrophobicContact CB-CB 4.37Å; A145-E150 PolarHBondContact O-N 3.21Å; A145-L151 HydrophobicContact CB-CD1 3.73Å; A145-L151 HydrophobicContact CB-CG 3.85Å
146	C	98.4	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-41.7	171.8	-69	0	0	0	0	113.2	I142 R144 D148 G149 C154 G155 N177 Y180	I142-C146 PolarHBondContact O-N 2.81Å; I142-C146 PolarHBondContact O-SG 2.94Å; R144-C146 VanDerWaalsContact C-N 3.26Å; R144-C146 PolarHBondContact O-N 2.87Å; C146-D148 VanDerWaalsContact C-N 3.32Å; C146-G149 PolarHBondContact O-N 3.14Å; C146-C154 WeakPolarHBondContact CA-SG 3.47Å; C146-C154 HydrophobicContact CB-CB 3.85Å; C146-C154 WeakPolarHBondContact CB-SG 3.4Å; C146-C154 WeakPolarHBondContact SG-CB 3.37Å; C146-C154 CovalentContact SG-SG 2.03Å; C146-C154 PolarHBondContact SG-SG 3.02Å; C146-G155 CarbonylContact O-C 3.41Å; C146-G155 VanDerWaalsContact O-CA 3.28Å; C146-G155 WeakPolarHBondContact O-CA 3.18Å; C146-N177 HydrophobicContact CB-CB 3.74Å; C146-Y180 WeakPolarHBondContact SG-CD1 3.43Å
147	R	97.8	Very high	97.5	Very high	69 Å²	69	34.4 Å²	34.4	26%	0.26	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-40.3	177.2	-179.6	-160.2	63.6	-157.7	4.4	110.9	S143 R144 G149 C174 D176	S143-R147 PolarHBondContact O-N 2.95Å; R144-R147 WeakPolarHBondContact O-CA 3.5Å; R144-R147 WeakPolarHBondContact O-CB 3.36Å; R144-R147 PolarHBondContact O-N 2.79Å; R147-G149 PolarHBondContact O-N 2.94Å; R147-C174 WeakPolarHBondContact CD-O 3.35Å; R147-C174 HydrophobicContact CG-CB 4.39Å; R147-C174 WeakPolarHBondContact CG-O 3.38Å; R147-C174 VanDerWaalsContact CG-SG 3.59Å; R147-C174 PolarHBondContact O-SG 2.89Å; R147-D176 VanDerWaalsContact CD-OD1 3.25Å; R147-D176 WeakPolarHBondContact CD-OD1 3.24Å; R147-D176 IonicContact CZ-OD1 3.94Å; R147-D176 VanDerWaalsContact CZ-OD1 3.31Å; R147-D176 IonicContact NE-OD1 2.69Å; R147-D176 PolarHBondContact NE-OD1 3.14Å; R147-D176 IonicContact NH1-OD1 3.92Å; R147-D176 PolarHBondContact NH1-OD1 3.13Å; R147-D176 IonicContact NH1-OD2 3.35Å
148	D	97.3	Very high	97.2	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-78.1	-6.3	-176.3	-60	-18.2	0	0	0	112.2	R144 A145 C146 E150	R144-D148 VanDerWaalsContact O-CG 3.24Å; R144-D148 PolarHBondContact O-N 3.13Å; A145-D148 PolarHBondContact O-N 3.06Å; C146-D148 VanDerWaalsContact C-N 3.32Å; D148-E150 HydrophobicContact CB-CG 4.25Å
149	G	96.8	Very high	97	Very high	57 Å²	57	47.5 Å²	47.5	59%	0.588	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	17.3	176.5	0	0	0	0	0	114.1	A145 C146 R147	A145-G149 PolarHBondContact O-N 3.11Å; A145-G149 VanDerWaalsContact O-N 3.14Å; C146-G149 PolarHBondContact O-N 3.14Å; R147-G149 PolarHBondContact O-N 2.94Å
150	E	96.6	Very high	96.8	Very high	90 Å²	90	51.5 Å²	51.5	42%	0.421	30%	0.301	S	S	.	.			trans	-84.9	-10.5	-173.9	-71.6	-73.2	159.9	0	0	114.1	R49 Y84 A145 D148	R49-E150 IonicContact CZ-OE2 3.59Å; R49-E150 IonicContact NH1-OE2 3.96Å; R49-E150 PolarHBondContact NH1-OE2 3.04Å; R49-E150 IonicContact NH2-OE2 3.78Å; Y84-E150 HydrophobicContact CE2-CB 3.81Å; Y84-E150 WeakPolarHBondContact OH-CB 3.36Å; Y84-E150 VanDerWaalsContact OH-CD 3.32Å; Y84-E150 WeakPolarHBondContact OH-CG 3.33Å; Y84-E150 PolarHBondContact OH-OE2 2.74Å; Y84-E150 VanDerWaalsContact OH-OE2 3.08Å; A145-E150 HydrophobicContact CB-CB 4.37Å; A145-E150 PolarHBondContact O-N 3.21Å; D148-E150 HydrophobicContact CB-CG 4.25Å
151	L	96.4	Very high	96.6	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	32%	0.315	C	S	.	.			trans	-117.2	128.6	-176.9	-65.2	-179.8	0	0	0	110	D80 Y84 I142 A145 T153 C154	D80-L151 HydrophobicContact CB-CD2 4.3Å; D80-L151 WeakPolarHBondContact O-CD2 3.22Å; Y84-L151 HydrophobicContact CD2-CD2 3.67Å; Y84-L151 HydrophobicContact CD2-CG 4.31Å; Y84-L151 HydrophobicContact CE2-CD2 3.88Å; Y84-L151 HydrophobicContact CE2-CG 4.4Å; I142-L151 HydrophobicContact CD1-CD1 4.24Å; I142-L151 HydrophobicContact CG2-CD1 4.03Å; A145-L151 HydrophobicContact CB-CD1 3.73Å; A145-L151 HydrophobicContact CB-CG 3.85Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.41Å; L151-C154 WeakPolarHBondContact CB-SG 3.42Å; L151-C154 VanDerWaalsContact O-O 3.08Å
152	S	94.8	Very high	96.5	Very high	102 Å²	102	56.3 Å²	56.3	71%	0.713	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.9	-174.7	58.6	0	0	0	0	113.9	D80	D80-S152 WeakPolarHBondContact OD2-CB 3.49Å; D80-S152 PolarHBondContact OD2-N 3.22Å; D80-S152 PolarHBondContact OD2-OG 2.96Å
153	T	95.9	Very high	96.2	Very high	69 Å²	69	68.5 Å²	68.5	42%	0.423	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.3	-172.6	60.1	0	0	0	0	114.7	Y78 H81 L151 Y180	Y78-T153 HydrophobicContact CD1-CG2 4.38Å; Y78-T153 HydrophobicContact CE1-CG2 4.16Å; H81-T153 PolarHBondContact CE1-OG1 3.15Å; H81-T153 PolarHBondContact NE2-OG1 3.24Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-T153 PolarHBondContact O-N 3.41Å; T153-Y180 PolarHBondContact OG1-OH 3.29Å
154	C	97.4	Very high	96.1	Very high	25 Å²	25	75.2 Å²	75.2	17%	0.169	40%	0.402	C	S	.	.			trans	-145	172.8	179	61	0	0	0	0	111.7	C146 L151 Y180	C146-C154 WeakPolarHBondContact CA-SG 3.47Å; C146-C154 HydrophobicContact CB-CB 3.85Å; C146-C154 WeakPolarHBondContact CB-SG 3.4Å; C146-C154 WeakPolarHBondContact SG-CB 3.37Å; C146-C154 CovalentContact SG-SG 2.03Å; C146-C154 PolarHBondContact SG-SG 3.02Å; L151-C154 WeakPolarHBondContact CB-SG 3.42Å; L151-C154 VanDerWaalsContact O-O 3.08Å; C154-Y180 HydrophobicContact CB-CD1 3.88Å; C154-Y180 HydrophobicContact CB-CD2 3.68Å; C154-Y180 HydrophobicContact CB-CE1 4.03Å; C154-Y180 HydrophobicContact CB-CE2 3.82Å; C154-Y180 HydrophobicContact CB-CG 3.72Å
155	G	96.5	Very high	95.9	Very high	31 Å²	31	72.2 Å²	72.2	32%	0.32	39%	0.391	S	S	.	.			trans	-151.9	-156.2	174.3	0	0	0	0	0	109.9	C146 N177	C146-G155 CarbonylContact O-C 3.41Å; C146-G155 VanDerWaalsContact O-CA 3.28Å; C146-G155 WeakPolarHBondContact O-CA 3.18Å; G155-N177 VanDerWaalsContact O-CB 3.31Å; G155-N177 WeakPolarHBondContact O-CB 3.16Å; G155-N177 PolarHBondContact O-ND2 2.85Å
156	C	96.3	Very high	95.7	Very high	52 Å²	52	74.6 Å²	74.6	35%	0.351	41%	0.407	S	S	.	.	S	Bend	trans	-51	153.3	176.9	-52.3	0	0	0	0	113.4	R158 C174	C156-R158 PolarHBondContact O-N 3.14Å; C156-C174 HydrophobicContact CB-CB 3.96Å; C156-C174 WeakPolarHBondContact CB-SG 3.32Å; C156-C174 WeakPolarHBondContact SG-CB 3.34Å; C156-C174 CovalentContact SG-SG 2.03Å; C156-C174 PolarHBondContact SG-SG 3.02Å
157	S	95.8	Very high	95.3	Very high	28 Å²	28	86 Å²	86	20%	0.196	45%	0.45	C	S	.	.			trans	-53.4	135.1	174.5	-164.6	0	0	0	0	112.6	A159 G175 D176	S157-A159 WeakPolarHBondContact OG-CB 3.46Å; S157-A159 PolarHBondContact OG-N 3.5Å; S157-G175 WeakPolarHBondContact CB-O 3.18Å; S157-G175 PolarHBondContact N-O 2.85Å; S157-D176 VanDerWaalsContact CB-O 3.22Å; S157-D176 WeakPolarHBondContact CB-O 3.31Å; S157-D176 PolarHBondContact OG-O 3.05Å
158	R	93.1	Very high	95	Very high	241 Å²	241	88.3 Å²	88.3	91%	0.909	47%	0.467	S	S	*	.			trans	-101.8	21.7	169.7	-59.9	-176.4	-177.5	171.4	0.4	111.9	C156 A160	C156-R158 PolarHBondContact O-N 3.14Å; R158-A160 PolarHBondContact O-N 3.1Å
159	A	93.9	Very high	94.8	Very high	34 Å²	34	87.6 Å²	87.6	28%	0.281	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-58.8	134.6	179.2	0	0	0	0	0	110.6	S157 W171 L246	S157-A159 WeakPolarHBondContact OG-CB 3.46Å; S157-A159 PolarHBondContact OG-N 3.5Å; A159-W171 HydrophobicContact CB-CZ2 4.24Å; A159-W171 PolarHBondContact O-NE1 3.18Å; A159-L246 HydrophobicContact CB-CB 4.34Å; A159-L246 HydrophobicContact CB-CD2 3.85Å
160	A	94.6	Very high	94.7	Very high	85 Å²	85	88.9 Å²	88.9	70%	0.702	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-65.1	151.5	175.4	0	0	0	0	0	110.4	R158 P162	R158-A160 PolarHBondContact O-N 3.1Å; A160-P162 WeakPolarHBondContact O-CD 3.44Å
161	R	95.2	Very high	94.7	Very high	90 Å²	90	87.7 Å²	87.7	34%	0.34	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-56.7	126.3	173.5	177.7	-176.3	175.3	114.8	10.7	109.9	L165 P166 W169 W171	R161-L165 HydrophobicContact CG-CB 4.46Å; R161-L165 HydrophobicContact CG-CD2 4.14Å; R161-L165 PolarHBondContact NH2-O 3.47Å; R161-P166 VanDerWaalsContact NH2-C 3.28Å; R161-P166 PolarHBondContact NH2-O 2.61Å; R161-W169 VanDerWaalsContact CZ-O 3.3Å; R161-W169 PolarHBondContact NH1-O 3.45Å; R161-W169 PolarHBondContact NH2-O 2.69Å; R161-W169 VanDerWaalsContact NH2-O 3.15Å; R161-W171 HydrophobicContact CB-CB 3.96Å; R161-W171 HydrophobicContact CB-CD2 4.28Å; R161-W171 HydrophobicContact CB-CG 3.75Å; R161-W171 HydrophobicContact CG-CB 3.88Å; R161-W171 HydrophobicContact CG-CG 4.08Å
162	P	95.3	Very high	94.5	Very high	33 Å²	33	88.8 Å²	88.8	21%	0.214	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.3	173.7	-24.5	35.8	0	0	0	111.7	A160 D164 L165 W171 V228	A160-P162 WeakPolarHBondContact O-CD 3.44Å; P162-D164 VanDerWaalsContact C-N 3.26Å; P162-D164 WeakPolarHBondContact CB-OD1 3.47Å; P162-D164 PolarHBondContact O-N 3.09Å; P162-L165 HydrophobicContact CB-CB 4.41Å; P162-L165 WeakPolarHBondContact O-CB 3.2Å; P162-L165 PolarHBondContact O-N 3.37Å; P162-W171 HydrophobicContact CG-CH2 4.12Å; P162-W171 HydrophobicContact CG-CZ3 4.13Å; P162-V228 HydrophobicContact CG-CG2 3.71Å
163	R	94	Very high	94.4	Very high	257 Å²	257	87 Å²	87	97%	0.97	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.3	-174.6	-66.2	-175.5	-179.8	-170.7	0.2	112.7	L165	R163-L165 VanDerWaalsContact C-N 3.31Å
164	D	94.9	Very high	94.4	Very high	140 Å²	140	86 Å²	86	75%	0.749	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.9	178.5	59.1	-44.6	0	0	0	113.3	P162 P166	P162-D164 VanDerWaalsContact C-N 3.26Å; P162-D164 WeakPolarHBondContact CB-OD1 3.47Å; P162-D164 PolarHBondContact O-N 3.09Å; D164-P166 WeakPolarHBondContact O-CD 3.4Å
165	L	94.3	Very high	94.4	Very high	14 Å²	14	84.9 Å²	84.9	7%	0.073	44%	0.44	C	S	.	.	S	Bend	trans	-73.1	123.1	179.7	-166.3	70.4	0	0	0	111.3	R161 P162 R163 R167 W169 W171 V228 C244	R161-L165 HydrophobicContact CG-CB 4.46Å; R161-L165 HydrophobicContact CG-CD2 4.14Å; R161-L165 PolarHBondContact NH2-O 3.47Å; P162-L165 HydrophobicContact CB-CB 4.41Å; P162-L165 WeakPolarHBondContact O-CB 3.2Å; P162-L165 PolarHBondContact O-N 3.37Å; R163-L165 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.32Å; L165-W169 HydrophobicContact CD1-CE3 3.65Å; L165-W169 HydrophobicContact CD1-CZ3 4.23Å; L165-W169 HydrophobicContact CG-CB 4.3Å; L165-W169 HydrophobicContact CG-CE3 4.46Å; L165-W171 HydrophobicContact CD2-CB 4.38Å; L165-W171 HydrophobicContact CD2-CE3 3.78Å; L165-W171 HydrophobicContact CD2-CZ3 4.5Å; L165-V228 HydrophobicContact CD1-CG1 3.86Å; L165-C244 HydrophobicContact CD2-CB 4.33Å
166	P	93.9	Very high	94.4	Very high	52 Å²	52	83.4 Å²	83.4	34%	0.338	43%	0.425	S	S	.	.			trans	-50.6	131.6	-179.6	-28.6	35.6	0	0	0	112.8	R161 D164 D168 W169	R161-P166 VanDerWaalsContact NH2-C 3.28Å; R161-P166 PolarHBondContact NH2-O 2.61Å; D164-P166 WeakPolarHBondContact O-CD 3.4Å; P166-D168 WeakPolarHBondContact CB-OD1 3.37Å; P166-D168 PolarHBondContact O-N 2.82Å; P166-D168 VanDerWaalsContact O-N 3.12Å; P166-W169 HydrophobicContact CB-CD2 4.18Å; P166-W169 HydrophobicContact CB-CG 4.06Å; P166-W169 HydrophobicContact CG-CD2 4.03Å; P166-W169 HydrophobicContact CG-CE3 4.37Å; P166-W169 HydrophobicContact CG-CG 4.43Å; P166-W169 HydrophobicContact CG-CZ2 4.2Å; P166-W169 WeakPolarHBondContact O-CB 3.25Å; P166-W169 PolarHBondContact O-N 3.05Å
167	R	91.4	Very high	94.5	Very high	240 Å²	240	81.9 Å²	81.9	91%	0.906	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.1	-169.1	-72.6	-174.6	179.5	-117.7	2.6	113.7	L165 W169	L165-R167 PolarHBondContact O-N 3.32Å; R167-W169 VanDerWaalsContact C-N 3.28Å; R167-W169 PolarHBondContact O-N 3.14Å
168	D	90.9	Very high	94.6	Very high	117 Å²	117	80.6 Å²	80.6	63%	0.626	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.4	177.1	58.6	-50	0	0	0	113.7	P166	P166-D168 WeakPolarHBondContact CB-OD1 3.37Å; P166-D168 PolarHBondContact O-N 2.82Å; P166-D168 VanDerWaalsContact O-N 3.12Å
169	W	93.6	Very high	94.9	Very high	77 Å²	77	73.9 Å²	73.9	29%	0.292	38%	0.383	S	S	.	.	S	Bend	trans	-85.1	129.2	176.6	-62.3	12.2	0	0	0	109.6	R161 L165 P166 R167 K242 C244	R161-W169 VanDerWaalsContact CZ-O 3.3Å; R161-W169 PolarHBondContact NH1-O 3.45Å; R161-W169 PolarHBondContact NH2-O 2.69Å; R161-W169 VanDerWaalsContact NH2-O 3.15Å; L165-W169 HydrophobicContact CD1-CE3 3.65Å; L165-W169 HydrophobicContact CD1-CZ3 4.23Å; L165-W169 HydrophobicContact CG-CB 4.3Å; L165-W169 HydrophobicContact CG-CE3 4.46Å; P166-W169 HydrophobicContact CB-CD2 4.18Å; P166-W169 HydrophobicContact CB-CG 4.06Å; P166-W169 HydrophobicContact CG-CD2 4.03Å; P166-W169 HydrophobicContact CG-CE3 4.37Å; P166-W169 HydrophobicContact CG-CG 4.43Å; P166-W169 HydrophobicContact CG-CZ2 4.2Å; P166-W169 WeakPolarHBondContact O-CB 3.25Å; P166-W169 PolarHBondContact O-N 3.05Å; R167-W169 VanDerWaalsContact C-N 3.28Å; R167-W169 PolarHBondContact O-N 3.14Å; W169-K242 HydrophobicContact CD2-CD 3.71Å; W169-K242 HydrophobicContact CE3-CD 3.87Å; W169-K242 HydrophobicContact CG-CD 4.18Å; W169-K242 HydrophobicContact CH2-CD 4.38Å; W169-K242 HydrophobicContact CZ2-CD 4.2Å; W169-K242 HydrophobicContact CZ3-CD 4.22Å; W169-C244 VanDerWaalsContact CE3-SG 3.54Å
170	L	94.7	Very high	95.1	Very high	85 Å²	85	73.7 Å²	73.7	45%	0.445	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.2	178.4	-60.7	-179.4	0	0	0	110.2	L241 K242 T243 C244	L170-L241 HydrophobicContact CD1-CD1 3.71Å; L170-L241 HydrophobicContact CD1-CG 4.43Å; L170-L241 HydrophobicContact CG-CD1 4.22Å; L170-K242 PolarHBondContact N-O 3.35Å; L170-T243 HydrophobicContact CB-CG2 4.47Å; L170-T243 CarbonylContact O-C 3.55Å; L170-T243 WeakPolarHBondContact O-CA 3.48Å; L170-C244 PolarHBondContact O-N 3.42Å
171	W	96.8	Very high	95.3	Very high	65 Å²	65	69.6 Å²	69.6	25%	0.246	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.5	170.2	-176.9	-106.5	0	0	0	108.9	A159 R161 P162 L165 V228 C244 L246	A159-W171 HydrophobicContact CB-CZ2 4.24Å; A159-W171 PolarHBondContact O-NE1 3.18Å; R161-W171 HydrophobicContact CB-CB 3.96Å; R161-W171 HydrophobicContact CB-CD2 4.28Å; R161-W171 HydrophobicContact CB-CG 3.75Å; R161-W171 HydrophobicContact CG-CB 3.88Å; R161-W171 HydrophobicContact CG-CG 4.08Å; P162-W171 HydrophobicContact CG-CH2 4.12Å; P162-W171 HydrophobicContact CG-CZ3 4.13Å; L165-W171 HydrophobicContact CD2-CB 4.38Å; L165-W171 HydrophobicContact CD2-CE3 3.78Å; L165-W171 HydrophobicContact CD2-CZ3 4.5Å; W171-V228 HydrophobicContact CH2-CG2 4.46Å; W171-V228 HydrophobicContact CZ3-CG1 4.02Å; W171-V228 HydrophobicContact CZ3-CG2 4.05Å; W171-C244 WeakPolarHBondContact CA-O 3.42Å; W171-C244 HydrophobicContact CE3-CB 4.23Å; W171-C244 HydrophobicContact CZ3-CB 4.49Å; W171-L246 HydrophobicContact CH2-CB 3.98Å; W171-L246 VanDerWaalsContact CH2-N 3.26Å; W171-L246 HydrophobicContact CZ2-CB 4.29Å
172	G	92.4	Very high	95.4	Very high	27 Å²	27	66.5 Å²	66.5	28%	0.278	33%	0.33	S	S	.	.			trans	172.5	-166.6	-174.9	0	0	0	0	0	112.9	C244 W245	G172-C244 PolarHBondContact N-O 3.4Å; G172-C244 CarbonylContact O-C 3.56Å; G172-W245 WeakPolarHBondContact O-CB 3.44Å
173	G	91.9	Very high	95.6	Very high	65 Å²	65	70.8 Å²	70.8	67%	0.67	34%	0.342	S	S	*	.	S	Bend	trans	80.8	-168.5	-169.7	0	0	0	0	0	112.2
174	C	95.6	Very high	95.8	Very high	47 Å²	47	59.2 Å²	59.2	32%	0.318	30%	0.299	S	S	.	.			trans	-108.4	96.7	-178.7	-169.4	0	0	0	0	110.5	R147 C156	R147-C174 WeakPolarHBondContact CD-O 3.35Å; R147-C174 HydrophobicContact CG-CB 4.39Å; R147-C174 WeakPolarHBondContact CG-O 3.38Å; R147-C174 VanDerWaalsContact CG-SG 3.59Å; R147-C174 PolarHBondContact O-SG 2.89Å; C156-C174 HydrophobicContact CB-CB 3.96Å; C156-C174 WeakPolarHBondContact CB-SG 3.32Å; C156-C174 WeakPolarHBondContact SG-CB 3.34Å; C156-C174 CovalentContact SG-SG 2.03Å; C156-C174 PolarHBondContact SG-SG 3.02Å
175	G	96.6	Very high	96	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.021	26%	0.263	C	S	.	.			trans	-86.4	164.7	175.2	0	0	0	0	0	113.6	S157 N177 L246	S157-G175 WeakPolarHBondContact CB-O 3.18Å; S157-G175 PolarHBondContact N-O 2.85Å; G175-N177 PolarHBondContact O-N 3.13Å; G175-L246 CarbonylContact C-O 3.5Å; G175-L246 WeakPolarHBondContact CA-O 3.45Å
176	D	98.3	Very high	96.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.			trans	-64.4	129.7	176.7	-66.7	-48.1	0	0	0	111.3	R147 S157 V178 L246 Q247 L248	R147-D176 VanDerWaalsContact CD-OD1 3.25Å; R147-D176 WeakPolarHBondContact CD-OD1 3.24Å; R147-D176 IonicContact CZ-OD1 3.94Å; R147-D176 VanDerWaalsContact CZ-OD1 3.31Å; R147-D176 IonicContact NE-OD1 2.69Å; R147-D176 PolarHBondContact NE-OD1 3.14Å; R147-D176 IonicContact NH1-OD1 3.92Å; R147-D176 PolarHBondContact NH1-OD1 3.13Å; R147-D176 IonicContact NH1-OD2 3.35Å; S157-D176 VanDerWaalsContact CB-O 3.22Å; S157-D176 WeakPolarHBondContact CB-O 3.31Å; S157-D176 PolarHBondContact OG-O 3.05Å; D176-V178 HydrophobicContact CB-CG2 4.27Å; D176-V178 WeakPolarHBondContact O-CG2 3.43Å; D176-V178 PolarHBondContact O-N 3.45Å; D176-L246 PolarHBondContact N-O 3.31Å; D176-Q247 WeakPolarHBondContact OD2-CA 3.4Å; D176-L248 HydrophobicContact CB-CB 4.43Å; D176-L248 HydrophobicContact CB-CD1 4.11Å; D176-L248 HydrophobicContact CB-CG 3.76Å; D176-L248 WeakPolarHBondContact OD2-CB 3.45Å; D176-L248 PolarHBondContact OD2-N 3.37Å
177	N	98.1	Very high	96.4	Very high	21 Å²	21	59 Å²	59	11%	0.112	28%	0.284	C	S	.	.			trans	-83.9	70	-178	-161.6	-21.9	0	0	0	111.5	S143 C146 G155 G175 H179 Y180 G181	S143-N177 WeakPolarHBondContact CB-O 3.28Å; S143-N177 PolarHBondContact O-N 3.4Å; S143-N177 PolarHBondContact OG-O 2.87Å; C146-N177 HydrophobicContact CB-CB 3.74Å; G155-N177 VanDerWaalsContact O-CB 3.31Å; G155-N177 WeakPolarHBondContact O-CB 3.16Å; G155-N177 PolarHBondContact O-ND2 2.85Å; G175-N177 PolarHBondContact O-N 3.13Å; N177-H179 VanDerWaalsContact C-N 3.31Å; N177-H179 PolarHBondContact O-N 3.04Å; N177-Y180 PolarHBondContact O-N 2.87Å; N177-Y180 VanDerWaalsContact OD1-CB 3.32Å; N177-Y180 WeakPolarHBondContact OD1-CB 3.47Å; N177-Y180 PolarHBondContact OD1-N 3.47Å; N177-G181 PolarHBondContact O-N 3.48Å; N177-G181 VanDerWaalsContact O-N 3.14Å
178	V	97.9	Very high	96.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-41.2	-175.2	-166.5	0	0	0	0	111.9	V139 S143 D176 Y180 G181 Y182 Y223 A226 L246 L248	V139-V178 HydrophobicContact CG1-CG1 4.5Å; S143-V178 VanDerWaalsContact OG-CA 3.24Å; S143-V178 WeakPolarHBondContact OG-CA 3.49Å; D176-V178 HydrophobicContact CB-CG2 4.27Å; D176-V178 WeakPolarHBondContact O-CG2 3.43Å; D176-V178 PolarHBondContact O-N 3.45Å; V178-Y180 PolarHBondContact O-N 3.33Å; V178-G181 PolarHBondContact O-N 3.36Å; V178-Y182 VanDerWaalsContact O-CB 3.23Å; V178-Y182 WeakPolarHBondContact O-CB 3.4Å; V178-Y182 PolarHBondContact O-N 2.92Å; V178-Y223 HydrophobicContact CB-CD2 4.49Å; V178-Y223 HydrophobicContact CG1-CD2 3.78Å; V178-Y223 HydrophobicContact CG1-CG 4.41Å; V178-A226 HydrophobicContact CG2-CB 4.27Å; V178-L246 HydrophobicContact CB-CD2 4.42Å; V178-L246 HydrophobicContact CG2-CD2 3.84Å; V178-L246 HydrophobicContact CG2-CG 4.38Å; V178-L248 HydrophobicContact CB-CD2 4.36Å; V178-L248 HydrophobicContact CG1-CD2 3.97Å; V178-L248 HydrophobicContact CG2-CD2 3.49Å; V178-L248 VanDerWaalsContact CG2-CD2 3.49Å; V178-L248 HydrophobicContact CG2-CG 3.97Å
179	H	97.8	Very high	97	Very high	99 Å²	99	42.2 Å²	42.2	46%	0.458	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-39.5	-179.8	-177.2	-90.6	0	0	0	112.8	N177 R183	N177-H179 VanDerWaalsContact C-N 3.31Å; N177-H179 PolarHBondContact O-N 3.04Å; H179-R183 PolarHBondContact CE1-NE 3.4Å; H179-R183 VanDerWaalsContact CE1-NE 3.29Å; H179-R183 WeakPolarHBondContact O-CG 3.48Å; H179-R183 PolarHBondContact O-N 3.25Å
180	Y	98.4	Very high	97.2	Very high	30 Å²	30	38.6 Å²	38.6	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-52.6	174.2	-178.2	-84.6	0	0	0	111.1	H81 I142 C146 T153 C154 N177 V178 Y182 R183 F184	H81-Y180 AromaticContact NE2-CE1 3.6Å; H81-Y180 AromaticContact NE2-CZ 3.63Å; H81-Y180 PolarHBondContact NE2-OH 3.01Å; I142-Y180 HydrophobicContact CG2-CD1 3.8Å; I142-Y180 HydrophobicContact CG2-CE1 3.78Å; C146-Y180 WeakPolarHBondContact SG-CD1 3.43Å; T153-Y180 PolarHBondContact OG1-OH 3.29Å; C154-Y180 HydrophobicContact CB-CD1 3.88Å; C154-Y180 HydrophobicContact CB-CD2 3.68Å; C154-Y180 HydrophobicContact CB-CE1 4.03Å; C154-Y180 HydrophobicContact CB-CE2 3.82Å; C154-Y180 HydrophobicContact CB-CG 3.72Å; N177-Y180 PolarHBondContact O-N 2.87Å; N177-Y180 VanDerWaalsContact OD1-CB 3.32Å; N177-Y180 WeakPolarHBondContact OD1-CB 3.47Å; N177-Y180 PolarHBondContact OD1-N 3.47Å; V178-Y180 PolarHBondContact O-N 3.33Å; Y180-Y182 VanDerWaalsContact C-N 3.28Å; Y180-Y182 PolarHBondContact O-N 3.35Å; Y180-R183 PolarHBondContact O-N 3.11Å; Y180-R183 VanDerWaalsContact O-N 3.17Å; Y180-F184 HydrophobicContact CE1-CB 4.11Å; Y180-F184 HydrophobicContact CE1-CG 4.49Å; Y180-F184 WeakPolarHBondContact O-CB 3.4Å; Y180-F184 PolarHBondContact O-N 2.91Å
181	G	98.4	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-38.9	-179.7	0	0	0	0	0	112.7	S143 N177 V178 A185	S143-G181 WeakPolarHBondContact OG-CA 3.39Å; N177-G181 PolarHBondContact O-N 3.48Å; N177-G181 VanDerWaalsContact O-N 3.14Å; V178-G181 PolarHBondContact O-N 3.36Å; G181-A185 WeakPolarHBondContact O-CB 3.11Å; G181-A185 PolarHBondContact O-N 3.03Å
182	Y	98.6	Very high	97.2	Very high	24 Å²	24	35.9 Å²	35.9	9%	0.094	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-54.7	173.5	-171.4	-73.9	0	0	0	112.1	V178 Y180 A185 R186 E216 R219 Q220 Y223	V178-Y182 VanDerWaalsContact O-CB 3.23Å; V178-Y182 WeakPolarHBondContact O-CB 3.4Å; V178-Y182 PolarHBondContact O-N 2.92Å; Y180-Y182 VanDerWaalsContact C-N 3.28Å; Y180-Y182 PolarHBondContact O-N 3.35Å; Y182-A185 PolarHBondContact O-N 3.41Å; Y182-R186 PolarHBondContact O-N 2.93Å; Y182-E216 PolarHBondContact OH-OE1 3.13Å; Y182-E216 PolarHBondContact OH-OE2 3.5Å; Y182-R219 HydrophobicContact CD2-CB 3.75Å; Y182-R219 HydrophobicContact CE2-CB 3.43Å; Y182-R219 VanDerWaalsContact CE2-CB 3.43Å; Y182-R219 HydrophobicContact CG-CB 4.44Å; Y182-Q220 HydrophobicContact CE2-CG 4.48Å; Y182-Q220 PolarHBondContact OH-NE2 3.02Å; Y182-Y223 HydrophobicContact CD2-CD2 4.31Å
183	R	98.4	Very high	97.3	Very high	124 Å²	124	35.6 Å²	35.6	47%	0.468	18%	0.179	S	C	.	.	H	α-helix	trans	-64.3	-46.1	-177.6	-70.8	-167.5	-57.8	171.1	3.5	111	H179 Y180 A185 R186 E187	H179-R183 PolarHBondContact CE1-NE 3.4Å; H179-R183 VanDerWaalsContact CE1-NE 3.29Å; H179-R183 WeakPolarHBondContact O-CG 3.48Å; H179-R183 PolarHBondContact O-N 3.25Å; Y180-R183 PolarHBondContact O-N 3.11Å; Y180-R183 VanDerWaalsContact O-N 3.17Å; R183-A185 PolarHBondContact O-N 2.78Å; R183-R186 WeakPolarHBondContact O-CB 3.27Å; R183-R186 PolarHBondContact O-N 3.23Å; R183-E187 WeakPolarHBondContact O-CG 3.27Å; R183-E187 PolarHBondContact O-N 3.04Å
184	F	98.5	Very high	97.4	Very high	14 Å²	14	39.7 Å²	39.7	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-47	179	-179.2	-90.2	0	0	0	111.8	Y78 H81 I85 I142 Y180 R186 E187 F188	Y78-F184 HydrophobicContact CD1-CE2 4.2Å; Y78-F184 AromaticContact CD2-CE2 3.92Å; Y78-F184 HydrophobicContact CD2-CE2 3.92Å; Y78-F184 AromaticContact CG-CE2 3.75Å; Y78-F184 HydrophobicContact CG-CE2 3.75Å; H81-F184 HydrophobicContact CB-CE1 4.16Å; H81-F184 HydrophobicContact CB-CE2 4.17Å; H81-F184 HydrophobicContact CB-CZ 3.6Å; H81-F184 AromaticContact CD2-CD2 3.77Å; H81-F184 AromaticContact CD2-CE2 3.48Å; H81-F184 VanDerWaalsContact CD2-CE2 3.48Å; H81-F184 WeakPolarHBondContact CD2-CE2 3.08Å; H81-F184 AromaticContact CD2-CZ 3.63Å; H81-F184 AromaticContact CG-CE2 3.89Å; H81-F184 AromaticContact CG-CZ 3.81Å; I85-F184 HydrophobicContact CD1-CE1 3.65Å; I85-F184 HydrophobicContact CD1-CZ 3.77Å; I85-F184 HydrophobicContact CG1-CE1 3.84Å; I85-F184 HydrophobicContact CG1-CZ 4.42Å; I142-F184 HydrophobicContact CD1-CD1 4.26Å; I142-F184 HydrophobicContact CD1-CE1 4.12Å; I142-F184 HydrophobicContact CG1-CD1 3.98Å; I142-F184 HydrophobicContact CG1-CE1 4.25Å; I142-F184 HydrophobicContact CG2-CB 4.47Å; I142-F184 HydrophobicContact CG2-CD1 4.33Å; Y180-F184 HydrophobicContact CE1-CB 4.11Å; Y180-F184 HydrophobicContact CE1-CG 4.49Å; Y180-F184 WeakPolarHBondContact O-CB 3.4Å; Y180-F184 PolarHBondContact O-N 2.91Å; F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 PolarHBondContact O-N 2.94Å; F184-E187 PolarHBondContact O-N 2.87Å; F184-E187 VanDerWaalsContact O-N 3.14Å; F184-F188 HydrophobicContact CE1-CB 4.12Å; F184-F188 HydrophobicContact CZ-CB 4.38Å; F184-F188 PolarHBondContact O-N 2.97Å
185	A	98.5	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-37.8	176.9	0	0	0	0	0	111.8	V138 V139 G181 Y182 R183 V189 R219	V138-A185 HydrophobicContact CB-CB 4.2Å; V138-A185 HydrophobicContact CG1-CB 3.83Å; V139-A185 HydrophobicContact CG2-CB 3.49Å; V139-A185 VanDerWaalsContact CG2-CB 3.49Å; G181-A185 WeakPolarHBondContact O-CB 3.11Å; G181-A185 PolarHBondContact O-N 3.03Å; Y182-A185 PolarHBondContact O-N 3.41Å; R183-A185 PolarHBondContact O-N 2.78Å; A185-V189 HydrophobicContact CB-CG2 4.47Å; A185-V189 WeakPolarHBondContact O-CA 3.35Å; A185-V189 WeakPolarHBondContact O-CB 3.49Å; A185-V189 VanDerWaalsContact O-CG2 3.27Å; A185-V189 WeakPolarHBondContact O-CG2 3.16Å; A185-V189 PolarHBondContact O-N 2.9Å; A185-R219 HydrophobicContact CB-CG 4.43Å
186	R	98.6	Very high	97.1	Very high	97 Å²	97	47.1 Å²	47.1	37%	0.366	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-47.6	173.8	-172.8	-176.6	69.3	-173	2.1	111.8	Y182 R183 F184 D190	Y182-R186 PolarHBondContact O-N 2.93Å; R183-R186 WeakPolarHBondContact O-CB 3.27Å; R183-R186 PolarHBondContact O-N 3.23Å; F184-R186 VanDerWaalsContact C-N 3.27Å; F184-R186 PolarHBondContact O-N 2.94Å; R186-D190 WeakPolarHBondContact O-CB 3.48Å; R186-D190 PolarHBondContact O-N 3.42Å
187	E	98.2	Very high	96.8	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-65.4	-44.3	179.5	-58.8	-50.3	136	0	0	111.7	L74 R183 F184 A191	L74-E187 WeakPolarHBondContact CD1-O 3.5Å; R183-E187 WeakPolarHBondContact O-CG 3.27Å; R183-E187 PolarHBondContact O-N 3.04Å; F184-E187 PolarHBondContact O-N 2.87Å; F184-E187 VanDerWaalsContact O-N 3.14Å; E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.34Å; E187-A191 PolarHBondContact O-N 3.29Å
188	F	98.2	Very high	96.6	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-79.2	-47.5	-175.3	-177.7	-89.9	0	0	0	114.4	W39 L67 Q71 L74 M82 I85 F184 A191	W39-F188 HydrophobicContact CB-CE1 4.4Å; W39-F188 HydrophobicContact CD2-CE1 4.04Å; W39-F188 AromaticContact CE3-CE1 3.93Å; W39-F188 HydrophobicContact CE3-CE1 3.93Å; W39-F188 HydrophobicContact CG-CE1 4.24Å; L67-F188 HydrophobicContact CD2-CE2 4.32Å; L67-F188 HydrophobicContact CD2-CZ 3.76Å; Q71-F188 HydrophobicContact CB-CE2 4.01Å; Q71-F188 HydrophobicContact CB-CZ 4.34Å; Q71-F188 HydrophobicContact CG-CE2 4.27Å; Q71-F188 HydrophobicContact CG-CZ 4.4Å; Q71-F188 PolarHBondContact NE2-O 3.43Å; L74-F188 HydrophobicContact CB-CD2 4.21Å; L74-F188 HydrophobicContact CD1-CB 4.21Å; L74-F188 HydrophobicContact CD1-CD2 4.22Å; M82-F188 HydrophobicContact CE-CE2 4.09Å; M82-F188 HydrophobicContact CE-CZ 4.05Å; M82-F188 HydrophobicContact SD-CE2 4.19Å; I85-F188 HydrophobicContact CD1-CD1 4.09Å; I85-F188 HydrophobicContact CD1-CD2 3.86Å; I85-F188 HydrophobicContact CD1-CE1 4.04Å; I85-F188 HydrophobicContact CD1-CE2 3.79Å; I85-F188 HydrophobicContact CD1-CG 4.01Å; I85-F188 HydrophobicContact CD1-CZ 3.88Å; I85-F188 HydrophobicContact CG1-CD1 4.48Å; I85-F188 HydrophobicContact CG1-CE1 4.48Å; I85-F188 HydrophobicContact CG2-CD1 4.12Å; I85-F188 HydrophobicContact CG2-CE1 3.5Å; I85-F188 HydrophobicContact CG2-CZ 3.93Å; F184-F188 HydrophobicContact CE1-CB 4.12Å; F184-F188 HydrophobicContact CZ-CB 4.38Å; F184-F188 PolarHBondContact O-N 2.97Å; F188-A191 WeakPolarHBondContact O-CB 3.48Å
189	V	97.8	Very high	96.3	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-73.5	-37.8	-174.9	-178.1	0	0	0	0	110.6	W39 A135 V138 A185 A191	W39-V189 HydrophobicContact CH2-CG2 4.15Å; W39-V189 HydrophobicContact CZ2-CB 4.41Å; W39-V189 HydrophobicContact CZ2-CG1 3.78Å; W39-V189 HydrophobicContact CZ2-CG2 3.88Å; A135-V189 HydrophobicContact CB-CG1 4.29Å; V138-V189 HydrophobicContact CB-CG2 4.28Å; V138-V189 HydrophobicContact CG1-CG2 4.42Å; V138-V189 HydrophobicContact CG2-CG2 4.11Å; A185-V189 HydrophobicContact CB-CG2 4.47Å; A185-V189 WeakPolarHBondContact O-CA 3.35Å; A185-V189 WeakPolarHBondContact O-CB 3.49Å; A185-V189 VanDerWaalsContact O-CG2 3.27Å; A185-V189 WeakPolarHBondContact O-CG2 3.16Å; A185-V189 PolarHBondContact O-N 2.9Å; V189-A191 VanDerWaalsContact C-N 3.33Å
190	D	97.9	Very high	96.1	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-80.8	-12.7	179.4	-60.6	-2.6	0	0	0	112.7	R186 K192 E193 R194 L212 N215 R219	R186-D190 WeakPolarHBondContact O-CB 3.48Å; R186-D190 PolarHBondContact O-N 3.42Å; D190-K192 VanDerWaalsContact C-N 3.3Å; D190-K192 PolarHBondContact O-N 2.75Å; D190-E193 PolarHBondContact O-N 2.89Å; D190-E193 VanDerWaalsContact O-N 3.09Å; D190-R194 WeakPolarHBondContact O-CG 3.41Å; D190-R194 PolarHBondContact O-N 3.44Å; D190-R194 IonicContact OD2-NE 3.18Å; D190-R194 IonicContact OD2-NH2 3.97Å; D190-L212 HydrophobicContact CB-CD2 3.52Å; D190-L212 VanDerWaalsContact CG-CD2 3.49Å; D190-N215 WeakPolarHBondContact OD1-CB 3.47Å; D190-N215 PolarHBondContact OD1-ND2 3.32Å; D190-R219 IonicContact OD1-CZ 3.18Å; D190-R219 IonicContact OD1-NH1 3.87Å; D190-R219 PolarHBondContact OD1-NH1 3.5Å; D190-R219 IonicContact OD1-NH2 3.77Å; D190-R219 IonicContact OD2-CZ 3.93Å; D190-R219 IonicContact OD2-NH1 3.78Å; D190-R219 PolarHBondContact OD2-NH1 3.42Å; D190-R219 IonicContact OD2-NH2 2.84Å; D190-R219 PolarHBondContact OD2-NH2 2.9Å
191	A	97.1	Very high	95.7	Very high	11 Å²	11	67.4 Å²	67.4	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-52.7	-44.1	-175.8	0	0	0	0	0	113.2	Q71 L74 E187 F188 V189 R194 E195	Q71-A191 HydrophobicContact CG-CB 3.73Å; L74-A191 HydrophobicContact CD1-CB 4.2Å; E187-A191 VanDerWaalsContact O-CB 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.34Å; E187-A191 PolarHBondContact O-N 3.29Å; F188-A191 WeakPolarHBondContact O-CB 3.48Å; V189-A191 VanDerWaalsContact C-N 3.33Å; A191-R194 PolarHBondContact O-N 2.84Å; A191-E195 WeakPolarHBondContact O-CB 3.37Å; A191-E195 PolarHBondContact O-N 3.32Å; A191-E195 VanDerWaalsContact O-N 3.09Å
192	K	93.7	Very high	95.5	Very high	81 Å²	81	68.6 Å²	68.6	35%	0.352	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-40.9	179.8	-179.3	175.5	177.9	175.4	0	112.1	N37 D190 R194 E195	N37-K192 PolarHBondContact O-NZ 3.45Å; D190-K192 VanDerWaalsContact C-N 3.3Å; D190-K192 PolarHBondContact O-N 2.75Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-E195 WeakPolarHBondContact O-CB 3.45Å; K192-E195 PolarHBondContact O-N 3.35Å
193	E	94.6	Very high	95.3	Very high	22 Å²	22	74.8 Å²	74.8	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-33.5	-179.8	-57.4	-60.7	147.8	0	0	111	Y131 D190 M208 N211 L212	Y131-E193 HydrophobicContact CE1-CG 4.48Å; Y131-E193 WeakPolarHBondContact CE1-OE1 3.4Å; Y131-E193 PolarHBondContact OH-OE1 3.41Å; D190-E193 PolarHBondContact O-N 2.89Å; D190-E193 VanDerWaalsContact O-N 3.09Å; E193-M208 HydrophobicContact CB-CG 4.24Å; E193-M208 WeakPolarHBondContact O-CG 3.35Å; E193-N211 VanDerWaalsContact CD-ND2 3.25Å; E193-N211 HydrophobicContact CG-CB 4Å; E193-N211 PolarHBondContact OE1-ND2 3.42Å; E193-N211 PolarHBondContact OE2-ND2 3.01Å; E193-L212 HydrophobicContact CB-CD2 3.88Å; E193-L212 HydrophobicContact CB-CG 4.1Å
194	R	95.1	Very high	95.1	Very high	150 Å²	150	73.7 Å²	73.7	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-85	-9.1	178.9	-63.9	177.1	-174.5	-81.3	-3.3	114.4	D190 A191 K192 K196 L212	D190-R194 WeakPolarHBondContact O-CG 3.41Å; D190-R194 PolarHBondContact O-N 3.44Å; D190-R194 IonicContact OD2-NE 3.18Å; D190-R194 IonicContact OD2-NH2 3.97Å; A191-R194 PolarHBondContact O-N 2.84Å; K192-R194 VanDerWaalsContact C-N 3.31Å; R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 3.1Å; R194-L212 HydrophobicContact CG-CD2 4.24Å
195	E	93.1	Very high	94.9	Very high	78 Å²	78	75.1 Å²	75.1	36%	0.364	35%	0.345	S	S	.	.	S	Bend	trans	-69.7	-32.5	-175	-171.9	170.8	141.6	0	0	112.7	S68 Q69 S70 A191 K192	S68-E195 WeakPolarHBondContact CB-OE2 3.02Å; S68-E195 PolarHBondContact OG-OE2 3.32Å; Q69-E195 WeakPolarHBondContact CB-OE1 3.24Å; Q69-E195 PolarHBondContact N-OE2 2.87Å; S70-E195 PolarHBondContact N-OE2 2.9Å; S70-E195 VanDerWaalsContact N-OE2 3.07Å; S70-E195 PolarHBondContact OG-OE2 3.2Å; A191-E195 WeakPolarHBondContact O-CB 3.37Å; A191-E195 PolarHBondContact O-N 3.32Å; A191-E195 VanDerWaalsContact O-N 3.09Å; K192-E195 WeakPolarHBondContact O-CB 3.45Å; K192-E195 PolarHBondContact O-N 3.35Å
196	K	91.1	Very high	94.8	Very high	127 Å²	127	75.4 Å²	75.4	55%	0.552	35%	0.347	S	S	*	.	S	Bend	trans	-110.3	133.2	-178.1	-67.6	-174.7	178.4	-176.9	0	110.9	R194 Y198	R194-K196 VanDerWaalsContact C-N 3.34Å; R194-K196 PolarHBondContact O-N 3.1Å; K196-Y198 HydrophobicContact CB-CE1 4.34Å; K196-Y198 HydrophobicContact CB-CE2 3.94Å; K196-Y198 HydrophobicContact CD-CE1 4.49Å
197	N	91.9	Very high	94.7	Very high	163 Å²	163	72.3 Å²	72.3	87%	0.872	34%	0.336	S	S	*	.			trans	-89.7	108.9	170.9	-74.2	-27.3	0	0	0	109.6
198	Y	93.8	Very high	94.7	Very high	76 Å²	76	68.4 Å²	68.4	30%	0.298	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-89.6	146.4	174.1	-60.4	-73.6	0	0	0	111.3	K196 R200 E204 Y205 M208	K196-Y198 HydrophobicContact CB-CE1 4.34Å; K196-Y198 HydrophobicContact CB-CE2 3.94Å; K196-Y198 HydrophobicContact CD-CE1 4.49Å; Y198-R200 PolarHBondContact O-N 3.41Å; Y198-E204 HydrophobicContact CD1-CB 3.38Å; Y198-E204 HydrophobicContact CD1-CG 4.15Å; Y198-E204 HydrophobicContact CD2-CB 4.29Å; Y198-E204 HydrophobicContact CE1-CB 3.63Å; Y198-E204 HydrophobicContact CE1-CG 4.16Å; Y198-E204 HydrophobicContact CE2-CB 4.49Å; Y198-E204 HydrophobicContact CG-CB 3.74Å; Y198-Y205 WeakPolarHBondContact O-CD2 3.41Å; Y198-M208 HydrophobicContact CD2-CB 4.16Å; Y198-M208 HydrophobicContact CD2-SD 4.12Å; Y198-M208 HydrophobicContact CE2-CB 4.32Å
199	P	93.3	Very high	94.6	Very high	93 Å²	93	70.4 Å²	70.4	60%	0.604	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-56.6	133.3	174.5	-23.8	33.9	0	0	0	111.5	G201 S202 Y205	P199-G201 PolarHBondContact O-N 3.43Å; P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 3.39Å; P199-S202 PolarHBondContact O-OG 2.82Å; P199-Y205 WeakPolarHBondContact O-CB 3.28Å
200	R	92.3	Very high	94.7	Very high	210 Å²	210	70.2 Å²	70.2	79%	0.792	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130.6	177.4	-72.9	-175.6	178.4	168.7	1.3	109.9	Y198 Y205	Y198-R200 PolarHBondContact O-N 3.41Å; R200-Y205 HydrophobicContact CG-CE2 4.5Å
201	G	90.8	Very high	94.7	Very high	36 Å²	36	70.3 Å²	70.3	37%	0.371	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-9.8	-178.1	0	0	0	0	0	114.7	P199	P199-G201 PolarHBondContact O-N 3.43Å
202	S	94.3	Very high	94.7	Very high	25 Å²	25	70.8 Å²	70.8	18%	0.175	33%	0.329	C	S	.	.			trans	-70.6	160.2	176	97.8	0	0	0	0	112	P199 E204 Y205 A206	P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 3.39Å; P199-S202 PolarHBondContact O-OG 2.82Å; S202-E204 VanDerWaalsContact C-N 3.31Å; S202-E204 VanDerWaalsContact CB-OE2 3.31Å; S202-E204 WeakPolarHBondContact CB-OE2 3.4Å; S202-E204 PolarHBondContact O-N 2.81Å; S202-E204 PolarHBondContact OG-N 2.89Å; S202-E204 PolarHBondContact OG-OE2 3.35Å; S202-Y205 PolarHBondContact O-N 2.84Å; S202-Y205 PolarHBondContact OG-N 3.17Å; S202-Y205 VanDerWaalsContact OG-N 3.1Å; S202-A206 PolarHBondContact O-N 3.33Å
203	R	93.8	Very high	95	Very high	154 Å²	154	69.2 Å²	69.2	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-39.1	176.3	-174.6	177.9	-179.3	-163.9	-2.3	111.5	Y205 A206 R207 D295	R203-Y205 VanDerWaalsContact C-N 3.33Å; R203-A206 WeakPolarHBondContact O-CB 3.21Å; R203-A206 PolarHBondContact O-N 3Å; R203-R207 WeakPolarHBondContact O-CB 3.32Å; R203-R207 PolarHBondContact O-N 3.38Å; R203-D295 IonicContact CZ-OD1 3.09Å; R203-D295 IonicContact CZ-OD2 3.58Å; R203-D295 IonicContact NE-OD1 3.36Å; R203-D295 IonicContact NE-OD2 2.78Å; R203-D295 VanDerWaalsContact NH2-CG 3.3Å; R203-D295 IonicContact NH2-OD1 3.77Å; R203-D295 PolarHBondContact NH2-OD1 3.5Å; R203-D295 IonicContact NH2-OD2 3.27Å; R203-D295 PolarHBondContact NH2-OD2 3Å
204	E	94.4	Very high	95.2	Very high	100 Å²	100	68.1 Å²	68.1	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.7	-56.4	71.1	-155.1	0	0	111	Y198 S202 R207 M208	Y198-E204 HydrophobicContact CD1-CB 3.38Å; Y198-E204 HydrophobicContact CD1-CG 4.15Å; Y198-E204 HydrophobicContact CD2-CB 4.29Å; Y198-E204 HydrophobicContact CE1-CB 3.63Å; Y198-E204 HydrophobicContact CE1-CG 4.16Å; Y198-E204 HydrophobicContact CE2-CB 4.49Å; Y198-E204 HydrophobicContact CG-CB 3.74Å; S202-E204 VanDerWaalsContact C-N 3.31Å; S202-E204 VanDerWaalsContact CB-OE2 3.31Å; S202-E204 WeakPolarHBondContact CB-OE2 3.4Å; S202-E204 PolarHBondContact O-N 2.81Å; S202-E204 PolarHBondContact OG-N 2.89Å; S202-E204 PolarHBondContact OG-OE2 3.35Å; E204-R207 PolarHBondContact O-N 3.21Å; E204-M208 WeakPolarHBondContact O-CB 3.26Å; E204-M208 PolarHBondContact O-N 3.36Å
205	Y	95.3	Very high	95.4	Very high	45 Å²	45	61 Å²	61	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-43.1	173.4	-173.3	-99.2	0	0	0	111.5	Y198 P199 R200 S202 R203 R207 M208 L209 I270 G274	Y198-Y205 WeakPolarHBondContact O-CD2 3.41Å; P199-Y205 WeakPolarHBondContact O-CB 3.28Å; R200-Y205 HydrophobicContact CG-CE2 4.5Å; S202-Y205 PolarHBondContact O-N 2.84Å; S202-Y205 PolarHBondContact OG-N 3.17Å; S202-Y205 VanDerWaalsContact OG-N 3.1Å; R203-Y205 VanDerWaalsContact C-N 3.33Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 3.45Å; Y205-M208 HydrophobicContact CD2-CE 3.64Å; Y205-M208 HydrophobicContact CE2-CE 3.52Å; Y205-M208 HydrophobicContact CG-CE 4.43Å; Y205-M208 PolarHBondContact O-N 3.13Å; Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CD1-CG 4.44Å; Y205-L209 HydrophobicContact CE1-CD1 3.57Å; Y205-L209 HydrophobicContact CE1-CG 4.13Å; Y205-L209 WeakPolarHBondContact O-CG 3.21Å; Y205-L209 PolarHBondContact O-N 3.41Å; Y205-I270 HydrophobicContact CD1-CD1 4.23Å; Y205-G274 VanDerWaalsContact CE1-O 3.31Å; Y205-G274 WeakPolarHBondContact CE1-O 3.15Å
206	A	96.6	Very high	95.6	Very high	5 Å²	5	59.6 Å²	59.6	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-41.4	174.1	0	0	0	0	0	112.1	S202 R203 L209 M210 I270 L276 I294	S202-A206 PolarHBondContact O-N 3.33Å; R203-A206 WeakPolarHBondContact O-CB 3.21Å; R203-A206 PolarHBondContact O-N 3Å; A206-L209 PolarHBondContact O-N 2.9Å; A206-M210 WeakPolarHBondContact O-CB 3.38Å; A206-M210 PolarHBondContact O-N 3.34Å; A206-I270 HydrophobicContact CB-CB 4.03Å; A206-I270 HydrophobicContact CB-CD1 4.12Å; A206-I270 HydrophobicContact CB-CG1 4.33Å; A206-L276 HydrophobicContact CB-CD2 4.01Å; A206-I294 HydrophobicContact CB-CD1 4.23Å
207	R	96.3	Very high	96	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-46.1	176.1	179.2	56.7	164.8	-168.1	-12.7	112.1	M120 I122 R203 E204 Y205 L209 M210 N211 I294	M120-R207 PolarHBondContact O-NH2 2.66Å; I122-R207 VanDerWaalsContact O-CZ 3.25Å; I122-R207 PolarHBondContact O-NH1 2.89Å; I122-R207 PolarHBondContact O-NH2 2.95Å; R203-R207 WeakPolarHBondContact O-CB 3.32Å; R203-R207 PolarHBondContact O-N 3.38Å; E204-R207 PolarHBondContact O-N 3.21Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 3.45Å; R207-L209 VanDerWaalsContact C-N 3.34Å; R207-L209 PolarHBondContact O-N 3.47Å; R207-M210 WeakPolarHBondContact O-CB 3.31Å; R207-M210 PolarHBondContact O-N 3.31Å; R207-N211 WeakPolarHBondContact O-CB 3.32Å; R207-N211 VanDerWaalsContact O-CG 3.22Å; R207-N211 PolarHBondContact O-N 2.98Å; R207-I294 HydrophobicContact CB-CD1 3.96Å
208	M	96.8	Very high	96.3	Very high	21 Å²	21	45.8 Å²	45.8	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-47.7	174.5	178.5	-159.8	71.1	0	0	111.1	E193 Y198 E204 Y205 M210 N211 L212	E193-M208 HydrophobicContact CB-CG 4.24Å; E193-M208 WeakPolarHBondContact O-CG 3.35Å; Y198-M208 HydrophobicContact CD2-CB 4.16Å; Y198-M208 HydrophobicContact CD2-SD 4.12Å; Y198-M208 HydrophobicContact CE2-CB 4.32Å; E204-M208 WeakPolarHBondContact O-CB 3.26Å; E204-M208 PolarHBondContact O-N 3.36Å; Y205-M208 HydrophobicContact CD2-CE 3.64Å; Y205-M208 HydrophobicContact CE2-CE 3.52Å; Y205-M208 HydrophobicContact CG-CE 4.43Å; Y205-M208 PolarHBondContact O-N 3.13Å; M208-M210 VanDerWaalsContact C-N 3.35Å; M208-M210 PolarHBondContact O-N 3.47Å; M208-N211 PolarHBondContact O-N 3.22Å; M208-L212 HydrophobicContact CG-CD1 4.14Å; M208-L212 VanDerWaalsContact O-CG 3.31Å; M208-L212 WeakPolarHBondContact O-CG 3.22Å; M208-L212 PolarHBondContact O-N 3.25Å
209	L	97.6	Very high	96.5	Very high	44 Å²	44	42.3 Å²	42.3	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-41.8	177.3	-69.4	-179.7	0	0	0	112.3	Y205 A206 R207 L212 H213 L276	Y205-L209 HydrophobicContact CD1-CD1 4.01Å; Y205-L209 HydrophobicContact CD1-CG 4.44Å; Y205-L209 HydrophobicContact CE1-CD1 3.57Å; Y205-L209 HydrophobicContact CE1-CG 4.13Å; Y205-L209 WeakPolarHBondContact O-CG 3.21Å; Y205-L209 PolarHBondContact O-N 3.41Å; A206-L209 PolarHBondContact O-N 2.9Å; R207-L209 VanDerWaalsContact C-N 3.34Å; R207-L209 PolarHBondContact O-N 3.47Å; L209-L212 PolarHBondContact O-N 2.9Å; L209-H213 WeakPolarHBondContact O-CB 3.22Å; L209-H213 PolarHBondContact O-N 3.22Å; L209-L276 HydrophobicContact CB-CD1 3.62Å; L209-L276 HydrophobicContact CB-CG 3.9Å; L209-L276 HydrophobicContact CD1-CG 4.07Å
210	M	98.2	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-46.4	177.2	-170.1	-147	81	0	0	111	T127 A206 R207 M208 H213 N214 L276 V292 I294	T127-M210 HydrophobicContact CG2-CE 4.32Å; A206-M210 WeakPolarHBondContact O-CB 3.38Å; A206-M210 PolarHBondContact O-N 3.34Å; R207-M210 WeakPolarHBondContact O-CB 3.31Å; R207-M210 PolarHBondContact O-N 3.31Å; M208-M210 VanDerWaalsContact C-N 3.35Å; M208-M210 PolarHBondContact O-N 3.47Å; M210-H213 PolarHBondContact O-N 3.19Å; M210-N214 PolarHBondContact O-N 3.39Å; M210-N214 PolarHBondContact O-ND2 3.26Å; M210-L276 HydrophobicContact CB-CD1 4.37Å; M210-V292 HydrophobicContact CG-CG2 3.96Å; M210-V292 VanDerWaalsContact CG-O 3.31Å; M210-V292 WeakPolarHBondContact CG-O 3.1Å; M210-I294 HydrophobicContact CB-CG2 4.21Å; M210-I294 HydrophobicContact CG-CG2 4.18Å; M210-I294 HydrophobicContact SD-CG1 3.96Å; M210-I294 HydrophobicContact SD-CG2 4.38Å
211	N	98.1	Very high	97.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-47.2	178.3	-71.1	-12.3	0	0	0	111.7	Y131 E193 R207 M208 H213 N214 N215	Y131-N211 HydrophobicContact CD1-CB 3.8Å; Y131-N211 HydrophobicContact CE1-CB 3.52Å; Y131-N211 VanDerWaalsContact CE1-CG 3.44Å; Y131-N211 PolarHBondContact OH-ND2 2.89Å; E193-N211 VanDerWaalsContact CD-ND2 3.25Å; E193-N211 HydrophobicContact CG-CB 4Å; E193-N211 PolarHBondContact OE1-ND2 3.42Å; E193-N211 PolarHBondContact OE2-ND2 3.01Å; R207-N211 WeakPolarHBondContact O-CB 3.32Å; R207-N211 VanDerWaalsContact O-CG 3.22Å; R207-N211 PolarHBondContact O-N 2.98Å; M208-N211 PolarHBondContact O-N 3.22Å; N211-H213 PolarHBondContact O-N 3.42Å; N211-N214 PolarHBondContact O-N 2.88Å; N211-N215 WeakPolarHBondContact O-CB 3.36Å; N211-N215 VanDerWaalsContact O-CG 3.28Å; N211-N215 PolarHBondContact O-N 3.1Å
212	L	98.3	Very high	97.5	Very high	22 Å²	22	28.2 Å²	28.2	12%	0.115	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.4	-71.4	173.3	0	0	0	112.3	D190 E193 R194 M208 L209 E216	D190-L212 HydrophobicContact CB-CD2 3.52Å; D190-L212 VanDerWaalsContact CG-CD2 3.49Å; E193-L212 HydrophobicContact CB-CD2 3.88Å; E193-L212 HydrophobicContact CB-CG 4.1Å; R194-L212 HydrophobicContact CG-CD2 4.24Å; M208-L212 HydrophobicContact CG-CD1 4.14Å; M208-L212 VanDerWaalsContact O-CG 3.31Å; M208-L212 WeakPolarHBondContact O-CG 3.22Å; M208-L212 PolarHBondContact O-N 3.25Å; L209-L212 PolarHBondContact O-N 2.9Å; L212-E216 PolarHBondContact O-N 3.48Å; L212-E216 VanDerWaalsContact O-N 3.09Å
213	H	98.7	Very high	97.6	Very high	47 Å²	47	32.4 Å²	32.4	22%	0.218	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-47.1	176.3	-176.4	98.9	0	0	0	111.6	L209 M210 N211 N215 E216 A217 T287 D290 V292	L209-H213 WeakPolarHBondContact O-CB 3.22Å; L209-H213 PolarHBondContact O-N 3.22Å; M210-H213 PolarHBondContact O-N 3.19Å; N211-H213 PolarHBondContact O-N 3.42Å; H213-N215 PolarHBondContact O-N 2.85Å; H213-E216 WeakPolarHBondContact O-CB 3.27Å; H213-E216 PolarHBondContact O-N 3.47Å; H213-E216 VanDerWaalsContact O-N 3.14Å; H213-A217 PolarHBondContact O-N 3.28Å; H213-T287 PolarHBondContact CE1-O 3.3Å; H213-T287 VanDerWaalsContact CE1-O 3.32Å; H213-T287 PolarHBondContact NE2-O 3.4Å; H213-D290 PolarHBondContact CD2-O 3.13Å; H213-D290 VanDerWaalsContact CD2-O 3.3Å; H213-D290 PolarHBondContact NE2-O 2.81Å; H213-V292 HydrophobicContact CB-CG2 3.89Å; H213-V292 VanDerWaalsContact CD2-CG2 3.48Å; H213-V292 WeakPolarHBondContact CD2-CG2 3.27Å
214	N	98.8	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-33.5	-178.7	-67.8	-41.1	0	0	0	112.6	A128 A132 M210 N211 E216 A217 G218 M291 V292	A128-N214 WeakPolarHBondContact CA-ND2 3.35Å; A128-N214 WeakPolarHBondContact CB-ND2 3.23Å; A132-N214 WeakPolarHBondContact CA-O 3.38Å; A132-N214 VanDerWaalsContact CB-O 3.26Å; A132-N214 WeakPolarHBondContact CB-O 3.01Å; M210-N214 PolarHBondContact O-N 3.39Å; M210-N214 PolarHBondContact O-ND2 3.26Å; N211-N214 PolarHBondContact O-N 2.88Å; N214-E216 VanDerWaalsContact C-N 3.29Å; N214-E216 PolarHBondContact O-N 3.02Å; N214-A217 PolarHBondContact O-N 3.4Å; N214-G218 PolarHBondContact O-N 3.42Å; N214-M291 WeakPolarHBondContact OD1-CA 3.5Å; N214-V292 PolarHBondContact ND2-O 2.78Å; N214-V292 PolarHBondContact OD1-N 3.31Å; N214-V292 PolarHBondContact OD1-O 3.04Å
215	N	98.8	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-42.9	168.9	-75.6	-17.5	0	0	0	111.4	Y131 A135 D190 N211 H213 G218 R219	Y131-N215 VanDerWaalsContact CD1-OD1 3.27Å; Y131-N215 WeakPolarHBondContact CD1-OD1 3.44Å; Y131-N215 PolarHBondContact O-OD1 3.32Å; A135-N215 HydrophobicContact CB-CB 4.15Å; A135-N215 WeakPolarHBondContact CB-O 3.47Å; D190-N215 WeakPolarHBondContact OD1-CB 3.47Å; D190-N215 PolarHBondContact OD1-ND2 3.32Å; N211-N215 WeakPolarHBondContact O-CB 3.36Å; N211-N215 VanDerWaalsContact O-CG 3.28Å; N211-N215 PolarHBondContact O-N 3.1Å; H213-N215 PolarHBondContact O-N 2.85Å; N215-G218 PolarHBondContact O-N 3.1Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.42Å
216	E	98.8	Very high	98	Very high	47 Å²	47	23.9 Å²	23.9	22%	0.22	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-46.9	176	-177.9	68.4	175.7	0	0	111.7	Y182 L212 H213 N214 G218 R219 Q220 P288	Y182-E216 PolarHBondContact OH-OE1 3.13Å; Y182-E216 PolarHBondContact OH-OE2 3.5Å; L212-E216 PolarHBondContact O-N 3.48Å; L212-E216 VanDerWaalsContact O-N 3.09Å; H213-E216 WeakPolarHBondContact O-CB 3.27Å; H213-E216 PolarHBondContact O-N 3.47Å; H213-E216 VanDerWaalsContact O-N 3.14Å; N214-E216 VanDerWaalsContact C-N 3.29Å; N214-E216 PolarHBondContact O-N 3.02Å; E216-G218 PolarHBondContact O-N 2.03Å; E216-R219 PolarHBondContact O-N 3.32Å; E216-R219 VanDerWaalsContact O-N 3.08Å; E216-R219 IonicContact OE2-CZ 3.02Å; E216-R219 IonicContact OE2-NE 2.76Å; E216-R219 PolarHBondContact OE2-NE 3Å; E216-R219 VanDerWaalsContact OE2-NE 3.09Å; E216-R219 IonicContact OE2-NH2 3.44Å; E216-R219 PolarHBondContact OE2-NH2 3.23Å; E216-Q220 HydrophobicContact CG-CG 4.24Å; E216-Q220 WeakPolarHBondContact O-CB 3.47Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.18Å; E216-Q220 PolarHBondContact OE1-NE2 3.02Å; E216-P288 HydrophobicContact CG-CB 4.4Å
217	A	98.8	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.9	-40.9	175.6	0	0	0	0	0	112	H213 N214 A221 P288	H213-A217 PolarHBondContact O-N 3.28Å; N214-A217 PolarHBondContact O-N 3.4Å; A217-A221 WeakPolarHBondContact O-CB 3.5Å; A217-A221 PolarHBondContact O-N 2.61Å; A217-P288 WeakPolarHBondContact CA-O 3.47Å; A217-P288 WeakPolarHBondContact CB-O 3.13Å; A217-P288 PolarHBondContact N-O 2.78Å
218	G	98.8	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-46.7	173.5	0	0	0	0	0	114	A132 A136 N214 N215 E216 A221 V222	A132-G218 WeakPolarHBondContact O-CA 3.46Å; A136-G218 WeakPolarHBondContact CB-O 3.36Å; N214-G218 PolarHBondContact O-N 3.42Å; N215-G218 PolarHBondContact O-N 3.1Å; E216-G218 PolarHBondContact O-N 2.03Å; G218-A221 PolarHBondContact O-N 3.37Å; G218-V222 PolarHBondContact O-N 3.33Å
219	R	98.8	Very high	98	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-43	177.9	-66.1	-175	-72.3	-97.8	4	111.8	A135 V139 Y182 A185 D190 N215 E216 A221 V222 Y223	A135-R219 HydrophobicContact CB-CG 4.28Å; V139-R219 HydrophobicContact CG2-CB 4.11Å; V139-R219 HydrophobicContact CG2-CG 3.7Å; Y182-R219 HydrophobicContact CD2-CB 3.75Å; Y182-R219 HydrophobicContact CE2-CB 3.43Å; Y182-R219 VanDerWaalsContact CE2-CB 3.43Å; Y182-R219 HydrophobicContact CG-CB 4.44Å; A185-R219 HydrophobicContact CB-CG 4.43Å; D190-R219 IonicContact OD1-CZ 3.18Å; D190-R219 IonicContact OD1-NH1 3.87Å; D190-R219 PolarHBondContact OD1-NH1 3.5Å; D190-R219 IonicContact OD1-NH2 3.77Å; D190-R219 IonicContact OD2-CZ 3.93Å; D190-R219 IonicContact OD2-NH1 3.78Å; D190-R219 PolarHBondContact OD2-NH1 3.42Å; D190-R219 IonicContact OD2-NH2 2.84Å; D190-R219 PolarHBondContact OD2-NH2 2.9Å; N215-R219 WeakPolarHBondContact O-CG 3.42Å; N215-R219 PolarHBondContact O-N 3.42Å; E216-R219 PolarHBondContact O-N 3.32Å; E216-R219 VanDerWaalsContact O-N 3.08Å; E216-R219 IonicContact OE2-CZ 3.02Å; E216-R219 IonicContact OE2-NE 2.76Å; E216-R219 PolarHBondContact OE2-NE 3Å; E216-R219 VanDerWaalsContact OE2-NE 3.09Å; E216-R219 IonicContact OE2-NH2 3.44Å; E216-R219 PolarHBondContact OE2-NH2 3.23Å; R219-A221 VanDerWaalsContact C-N 3.34Å; R219-V222 PolarHBondContact O-N 3.07Å; R219-Y223 PolarHBondContact O-N 3.22Å; R219-Y223 VanDerWaalsContact O-N 3.09Å
220	Q	98.4	Very high	97.9	Very high	43 Å²	43	28 Å²	28	20%	0.201	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-40.9	177.1	-70.8	-69.2	-9.5	0	0	111.5	Y182 E216 V222 Y223 N224 E289	Y182-Q220 HydrophobicContact CE2-CG 4.48Å; Y182-Q220 PolarHBondContact OH-NE2 3.02Å; E216-Q220 HydrophobicContact CG-CG 4.24Å; E216-Q220 WeakPolarHBondContact O-CB 3.47Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.18Å; E216-Q220 PolarHBondContact OE1-NE2 3.02Å; Q220-V222 VanDerWaalsContact C-N 3.3Å; Q220-V222 PolarHBondContact O-N 2.95Å; Q220-Y223 PolarHBondContact O-N 3.49Å; Q220-Y223 VanDerWaalsContact O-N 3.13Å; Q220-N224 WeakPolarHBondContact O-CB 3.45Å; Q220-N224 PolarHBondContact O-N 3.22Å; Q220-N224 PolarHBondContact O-ND2 2.76Å; Q220-E289 HydrophobicContact CB-CG 4.22Å
221	A	98.5	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-42.4	176.2	0	0	0	0	0	112.5	A217 G218 R219 Q225 V254 F257 L258	A217-A221 WeakPolarHBondContact O-CB 3.5Å; A217-A221 PolarHBondContact O-N 2.61Å; G218-A221 PolarHBondContact O-N 3.37Å; R219-A221 VanDerWaalsContact C-N 3.34Å; A221-Q225 VanDerWaalsContact O-CB 3.27Å; A221-Q225 WeakPolarHBondContact O-CB 3.34Å; A221-Q225 WeakPolarHBondContact O-CG 3.1Å; A221-Q225 PolarHBondContact O-N 3.3Å; A221-Q225 VanDerWaalsContact O-N 3.13Å; A221-V254 HydrophobicContact CB-CG1 4.24Å; A221-F257 HydrophobicContact CB-CD1 3.65Å; A221-F257 HydrophobicContact CB-CE1 3.8Å; A221-L258 HydrophobicContact CB-CD1 4.37Å; A221-L258 HydrophobicContact CB-CD2 3.6Å; A221-L258 HydrophobicContact CB-CG 3.9Å
222	V	98.6	Very high	97.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-41.1	176.7	-179.7	0	0	0	0	111.5	A136 V139 G218 R219 Q220 A226 L248 V254	A136-V222 HydrophobicContact CB-CG2 3.53Å; A136-V222 WeakPolarHBondContact O-CG2 3.13Å; V139-V222 HydrophobicContact CB-CB 4.25Å; V139-V222 HydrophobicContact CB-CG1 4.14Å; V139-V222 HydrophobicContact CB-CG2 4.35Å; V139-V222 HydrophobicContact CG1-CB 3.94Å; V139-V222 HydrophobicContact CG1-CG1 3.58Å; G218-V222 PolarHBondContact O-N 3.33Å; R219-V222 PolarHBondContact O-N 3.07Å; Q220-V222 VanDerWaalsContact C-N 3.3Å; Q220-V222 PolarHBondContact O-N 2.95Å; V222-A226 PolarHBondContact O-N 3.33Å; V222-L248 HydrophobicContact CG1-CD1 4.45Å; V222-L248 HydrophobicContact CG1-CD2 3.46Å; V222-L248 VanDerWaalsContact CG1-CD2 3.46Å; V222-V254 HydrophobicContact CG2-CG1 3.9Å; V222-V254 HydrophobicContact CG2-CG2 4.42Å
223	Y	97.4	Very high	97.2	Very high	113 Å²	113	39.1 Å²	39.1	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-48.1	179.6	-171.6	-88.4	0	0	0	112	V178 Y182 R219 Q220 A226	V178-Y223 HydrophobicContact CB-CD2 4.49Å; V178-Y223 HydrophobicContact CG1-CD2 3.78Å; V178-Y223 HydrophobicContact CG1-CG 4.41Å; Y182-Y223 HydrophobicContact CD2-CD2 4.31Å; R219-Y223 PolarHBondContact O-N 3.22Å; R219-Y223 VanDerWaalsContact O-N 3.09Å; Q220-Y223 PolarHBondContact O-N 3.49Å; Q220-Y223 VanDerWaalsContact O-N 3.13Å; Y223-A226 WeakPolarHBondContact O-CB 3.49Å; Y223-A226 PolarHBondContact O-N 2.93Å
224	N	96.6	Very high	96.7	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	19%	0.192	S	C	.	.	H	α-helix	trans	-76.8	-25.4	-175.1	-66	-18.4	0	0	0	113.3	Q220 A226 E289	Q220-N224 WeakPolarHBondContact O-CB 3.45Å; Q220-N224 PolarHBondContact O-N 3.22Å; Q220-N224 PolarHBondContact O-ND2 2.76Å; N224-A226 VanDerWaalsContact C-N 3.31Å; N224-E289 VanDerWaalsContact ND2-CD 3.34Å; N224-E289 PolarHBondContact ND2-OE1 3.34Å
225	Q	97.8	Very high	96.5	Very high	31 Å²	31	43.5 Å²	43.5	15%	0.145	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.6	174.7	-62.4	-63.5	-30.9	0	0	112.8	A221 A249 V254 F257	A221-Q225 VanDerWaalsContact O-CB 3.27Å; A221-Q225 WeakPolarHBondContact O-CB 3.34Å; A221-Q225 WeakPolarHBondContact O-CG 3.1Å; A221-Q225 PolarHBondContact O-N 3.3Å; A221-Q225 VanDerWaalsContact O-N 3.13Å; Q225-A249 HydrophobicContact CB-CB 4.05Å; Q225-A249 VanDerWaalsContact O-CB 3.3Å; Q225-A249 WeakPolarHBondContact O-CB 3.33Å; Q225-V254 HydrophobicContact CB-CG2 4.31Å; Q225-F257 VanDerWaalsContact NE2-CD2 3.3Å
226	A	97.1	Very high	95.9	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	27%	0.271	C	S	.	.			trans	-64.2	142.8	170.4	0	0	0	0	0	110.2	V178 V222 Y223 N224 L246 Q247 L248	V178-A226 HydrophobicContact CG2-CB 4.27Å; V222-A226 PolarHBondContact O-N 3.33Å; Y223-A226 WeakPolarHBondContact O-CB 3.49Å; Y223-A226 PolarHBondContact O-N 2.93Å; N224-A226 VanDerWaalsContact C-N 3.31Å; A226-L246 HydrophobicContact CB-CD1 3.95Å; A226-L246 HydrophobicContact CB-CG 4.43Å; A226-Q247 WeakPolarHBondContact CA-O 3.43Å; A226-L248 HydrophobicContact CB-CD2 4.24Å
227	H	96.6	Very high	95.2	Very high	81 Å²	81	50.3 Å²	50.3	38%	0.375	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.1	-174.8	62.3	-77.8	0	0	0	111.2	S229 Q247	H227-S229 PolarHBondContact O-N 3.3Å; H227-Q247 PolarHBondContact N-O 3.08Å; H227-Q247 PolarHBondContact O-N 2.73Å
228	V	96.7	Very high	94.9	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.297	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.8	172.2	179.4	0	0	0	0	109	P162 L165 W171 C244	P162-V228 HydrophobicContact CG-CG2 3.71Å; L165-V228 HydrophobicContact CD1-CG1 3.86Å; W171-V228 HydrophobicContact CH2-CG2 4.46Å; W171-V228 HydrophobicContact CZ3-CG1 4.02Å; W171-V228 HydrophobicContact CZ3-CG2 4.05Å; V228-C244 HydrophobicContact CG1-CB 3.7Å
229	S	96	Very high	94.5	Very high	27 Å²	27	56.7 Å²	56.7	19%	0.189	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.3	171.7	-177.8	0	0	0	0	109.6	H227 C244 W245 Q247	H227-S229 PolarHBondContact O-N 3.3Å; S229-C244 CarbonylContact O-C 3.59Å; S229-C244 WeakPolarHBondContact O-CA 2.98Å; S229-C244 WeakPolarHBondContact O-CB 3.43Å; S229-W245 PolarHBondContact N-O 3.23Å; S229-W245 PolarHBondContact O-N 3.43Å; S229-Q247 PolarHBondContact OG-OE1 3.37Å
230	C	95.3	Very high	94.1	Very high	33 Å²	33	61.4 Å²	61.4	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.1	-171.3	-56.6	0	0	0	0	112.4	K242 T243 C244	C230-K242 HydrophobicContact CB-CD 3.67Å; C230-K242 HydrophobicContact CB-CG 3.84Å; C230-K242 PolarHBondContact SG-NZ 2.99Å; C230-T243 CarbonylContact C-O 3.18Å; C230-T243 VanDerWaalsContact CA-O 3.23Å; C230-T243 WeakPolarHBondContact CA-O 3.07Å; C230-C244 HydrophobicContact CB-CB 4.01Å; C230-C244 WeakPolarHBondContact CB-SG 3.42Å; C230-C244 WeakPolarHBondContact SG-CB 3.44Å; C230-C244 CovalentContact SG-SG 2.03Å; C230-C244 PolarHBondContact SG-SG 2.95Å
231	K	94.9	Very high	93.7	Very high	124 Å²	124	63.2 Å²	63.2	54%	0.539	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.9	172.1	-178.8	174.7	-176.5	179.9	0	111.3	H233 K242 T243 W245	K231-H233 PolarHBondContact O-CD2 3.42Å; K231-K242 WeakPolarHBondContact O-CA 3.44Å; K231-K242 WeakPolarHBondContact O-CG 3.33Å; K231-T243 PolarHBondContact N-O 2.93Å; K231-T243 PolarHBondContact O-N 3.49Å; K231-W245 HydrophobicContact CB-CH2 3.64Å; K231-W245 HydrophobicContact CB-CZ3 3.9Å
232	C	94.6	Very high	93.5	Very high	39 Å²	39	65 Å²	65	26%	0.264	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.3	177.5	-62.5	0	0	0	0	111.2	C239 L241	C232-C239 HydrophobicContact CB-CB 3.83Å; C232-C239 WeakPolarHBondContact CB-SG 3.3Å; C232-C239 WeakPolarHBondContact SG-CB 3.43Å; C232-C239 CovalentContact SG-SG 2.03Å; C232-C239 PolarHBondContact SG-SG 3.09Å; C232-L241 WeakPolarHBondContact CA-O 3.49Å
233	H	91.1	Very high	93.3	Very high	94 Å²	94	66.1 Å²	66.1	44%	0.435	39%	0.393	S	S	.	.			trans	-125.8	13.8	-172.1	-64.9	-76	0	0	0	113.8	K231 L241 T243	K231-H233 PolarHBondContact O-CD2 3.42Å; H233-L241 HydrophobicContact CB-CB 4.19Å; H233-L241 HydrophobicContact CB-CD2 4.07Å; H233-L241 HydrophobicContact CB-CG 4.29Å; H233-L241 PolarHBondContact N-O 3.29Å; H233-T243 PolarHBondContact CD2-OG1 3.04Å; H233-T243 PolarHBondContact NE2-OG1 2.87Å
234	G	89.4	Confident	93.3	Very high	14 Å²	14	60.8 Å²	60.8	14%	0.144	37%	0.372	C	S	.	.	S	Bend	trans	-80.8	164.3	-179.3	0	0	0	0	0	113.9	S236 G237 S238 S240	G234-S236 PolarHBondContact O-N 3.28Å; G234-G237 PolarHBondContact O-N 3.03Å; G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-O 3.35Å; G234-S238 VanDerWaalsContact CA-OG 3.3Å; G234-S238 WeakPolarHBondContact CA-OG 3.39Å; G234-S238 PolarHBondContact N-O 2.94Å; G234-S240 WeakPolarHBondContact CA-OG 3.4Å
235	V	92.7	Very high	93.4	Very high	126 Å²	126	60.2 Å²	60.2	76%	0.764	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54.2	135	176.2	-177.6	0	0	0	0	109.5	G237 S238	V235-G237 PolarHBondContact O-N 3.08Å; V235-S238 PolarHBondContact N-OG 3.48Å; V235-S238 WeakPolarHBondContact O-CB 3.39Å; V235-S238 PolarHBondContact O-N 3.36Å; V235-S238 VanDerWaalsContact O-N 3.13Å; V235-S238 PolarHBondContact O-OG 3.32Å
236	S	87.5	Confident	93.3	Very high	130 Å²	130	60.4 Å²	60.4	91%	0.909	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	56.3	27.2	-177.5	-54.8	0	0	0	0	114.8	G234	G234-S236 PolarHBondContact O-N 3.28Å
237	G	83.9	Confident	93.4	Very high	61 Å²	61	62 Å²	62	63%	0.629	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	82.1	12.7	179.8	0	0	0	0	0	114.5	G234 V235	G234-G237 PolarHBondContact O-N 3.03Å; V235-G237 PolarHBondContact O-N 3.08Å
238	S	91.3	Very high	93.4	Very high	51 Å²	51	58.3 Å²	58.3	36%	0.357	35%	0.354	S	S	.	.			trans	-64.1	156.2	173	56.4	0	0	0	0	112.1	G234 V235	G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-O 3.35Å; G234-S238 VanDerWaalsContact CA-OG 3.3Å; G234-S238 WeakPolarHBondContact CA-OG 3.39Å; G234-S238 PolarHBondContact N-O 2.94Å; V235-S238 PolarHBondContact N-OG 3.48Å; V235-S238 WeakPolarHBondContact O-CB 3.39Å; V235-S238 PolarHBondContact O-N 3.36Å; V235-S238 VanDerWaalsContact O-N 3.13Å; V235-S238 PolarHBondContact O-OG 3.32Å
239	C	91.3	Very high	93.5	Very high	82 Å²	82	56.1 Å²	56.1	55%	0.554	34%	0.341	S	S	*	.	S	Bend	trans	-98.7	29.5	178.9	-63.9	0	0	0	0	113.1	C232 L241	C232-C239 HydrophobicContact CB-CB 3.83Å; C232-C239 WeakPolarHBondContact CB-SG 3.3Å; C232-C239 WeakPolarHBondContact SG-CB 3.43Å; C232-C239 CovalentContact SG-SG 2.03Å; C232-C239 PolarHBondContact SG-SG 3.09Å; C239-L241 PolarHBondContact O-N 3.14Å
240	S	89.9	Confident	93.6	Very high	103 Å²	103	60 Å²	60	72%	0.72	36%	0.359	S	S	*	.	S	Bend	trans	-62.5	-29.7	175.7	53.5	0	0	0	0	112.8	G234	G234-S240 WeakPolarHBondContact CA-OG 3.4Å
241	L	91	Very high	93.8	Very high	80 Å²	80	59.1 Å²	59.1	42%	0.419	35%	0.352	S	S	.	.	S	Bend	trans	-123	133.1	166.4	-175.1	68.6	0	0	0	108.8	L170 C232 H233 C239	L170-L241 HydrophobicContact CD1-CD1 3.71Å; L170-L241 HydrophobicContact CD1-CG 4.43Å; L170-L241 HydrophobicContact CG-CD1 4.22Å; C232-L241 WeakPolarHBondContact CA-O 3.49Å; H233-L241 HydrophobicContact CB-CB 4.19Å; H233-L241 HydrophobicContact CB-CD2 4.07Å; H233-L241 HydrophobicContact CB-CG 4.29Å; H233-L241 PolarHBondContact N-O 3.29Å; C239-L241 PolarHBondContact O-N 3.14Å
242	K	93.8	Very high	93.9	Very high	38 Å²	38	56.6 Å²	56.6	17%	0.165	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.9	-179.7	-158.9	-167.4	-156.9	-158	0	110.4	W169 L170 C230 K231	W169-K242 HydrophobicContact CD2-CD 3.71Å; W169-K242 HydrophobicContact CE3-CD 3.87Å; W169-K242 HydrophobicContact CG-CD 4.18Å; W169-K242 HydrophobicContact CH2-CD 4.38Å; W169-K242 HydrophobicContact CZ2-CD 4.2Å; W169-K242 HydrophobicContact CZ3-CD 4.22Å; L170-K242 PolarHBondContact N-O 3.35Å; C230-K242 HydrophobicContact CB-CD 3.67Å; C230-K242 HydrophobicContact CB-CG 3.84Å; C230-K242 PolarHBondContact SG-NZ 2.99Å; K231-K242 WeakPolarHBondContact O-CA 3.44Å; K231-K242 WeakPolarHBondContact O-CG 3.33Å
243	T	95.3	Very high	94.1	Very high	25 Å²	25	61.4 Å²	61.4	15%	0.153	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.2	174.3	-52.5	0	0	0	0	109.1	L170 C230 K231 H233 W245	L170-T243 HydrophobicContact CB-CG2 4.47Å; L170-T243 CarbonylContact O-C 3.55Å; L170-T243 WeakPolarHBondContact O-CA 3.48Å; C230-T243 CarbonylContact C-O 3.18Å; C230-T243 VanDerWaalsContact CA-O 3.23Å; C230-T243 WeakPolarHBondContact CA-O 3.07Å; K231-T243 PolarHBondContact N-O 2.93Å; K231-T243 PolarHBondContact O-N 3.49Å; H233-T243 PolarHBondContact CD2-OG1 3.04Å; H233-T243 PolarHBondContact NE2-OG1 2.87Å; T243-W245 WeakPolarHBondContact O-CZ3 3.39Å
244	C	97.1	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.9	-175.4	-57.1	0	0	0	0	112.1	L165 W169 L170 W171 G172 V228 S229 C230	L165-C244 HydrophobicContact CD2-CB 4.33Å; W169-C244 VanDerWaalsContact CE3-SG 3.54Å; L170-C244 PolarHBondContact O-N 3.42Å; W171-C244 WeakPolarHBondContact CA-O 3.42Å; W171-C244 HydrophobicContact CE3-CB 4.23Å; W171-C244 HydrophobicContact CZ3-CB 4.49Å; G172-C244 PolarHBondContact N-O 3.4Å; G172-C244 CarbonylContact O-C 3.56Å; V228-C244 HydrophobicContact CG1-CB 3.7Å; S229-C244 CarbonylContact O-C 3.59Å; S229-C244 WeakPolarHBondContact O-CA 2.98Å; S229-C244 WeakPolarHBondContact O-CB 3.43Å; C230-C244 HydrophobicContact CB-CB 4.01Å; C230-C244 WeakPolarHBondContact CB-SG 3.42Å; C230-C244 WeakPolarHBondContact SG-CB 3.44Å; C230-C244 CovalentContact SG-SG 2.03Å; C230-C244 PolarHBondContact SG-SG 2.95Å
245	W	97.3	Very high	94.9	Very high	55 Å²	55	56.3 Å²	56.3	21%	0.208	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167	177.7	54.4	91	0	0	0	111	G172 S229 K231 T243	G172-W245 WeakPolarHBondContact O-CB 3.44Å; S229-W245 PolarHBondContact N-O 3.23Å; S229-W245 PolarHBondContact O-N 3.43Å; K231-W245 HydrophobicContact CB-CH2 3.64Å; K231-W245 HydrophobicContact CB-CZ3 3.9Å; T243-W245 WeakPolarHBondContact O-CZ3 3.39Å
246	L	97.3	Very high	95.2	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.183	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.9	170.2	-174.4	67.8	0	0	0	109.8	A159 W171 G175 D176 V178 A226	A159-L246 HydrophobicContact CB-CB 4.34Å; A159-L246 HydrophobicContact CB-CD2 3.85Å; W171-L246 HydrophobicContact CH2-CB 3.98Å; W171-L246 VanDerWaalsContact CH2-N 3.26Å; W171-L246 HydrophobicContact CZ2-CB 4.29Å; G175-L246 CarbonylContact C-O 3.5Å; G175-L246 WeakPolarHBondContact CA-O 3.45Å; D176-L246 PolarHBondContact N-O 3.31Å; V178-L246 HydrophobicContact CB-CD2 4.42Å; V178-L246 HydrophobicContact CG2-CD2 3.84Å; V178-L246 HydrophobicContact CG2-CG 4.38Å; A226-L246 HydrophobicContact CB-CD1 3.95Å; A226-L246 HydrophobicContact CB-CG 4.43Å
247	Q	97.8	Very high	95.7	Very high	56 Å²	56	50 Å²	50	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.1	178.6	-174.8	168.5	-16.5	0	0	110.6	D176 A226 H227 S229	D176-Q247 WeakPolarHBondContact OD2-CA 3.4Å; A226-Q247 WeakPolarHBondContact CA-O 3.43Å; H227-Q247 PolarHBondContact N-O 3.08Å; H227-Q247 PolarHBondContact O-N 2.73Å; S229-Q247 PolarHBondContact OG-OE1 3.37Å
248	L	98.2	Very high	96.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.6	140.8	170.8	-74.2	177.5	0	0	0	110.5	R144 D176 V178 V222 A226	R144-L248 HydrophobicContact CG-CD1 4.17Å; D176-L248 HydrophobicContact CB-CB 4.43Å; D176-L248 HydrophobicContact CB-CD1 4.11Å; D176-L248 HydrophobicContact CB-CG 3.76Å; D176-L248 WeakPolarHBondContact OD2-CB 3.45Å; D176-L248 PolarHBondContact OD2-N 3.37Å; V178-L248 HydrophobicContact CB-CD2 4.36Å; V178-L248 HydrophobicContact CG1-CD2 3.97Å; V178-L248 HydrophobicContact CG2-CD2 3.49Å; V178-L248 VanDerWaalsContact CG2-CD2 3.49Å; V178-L248 HydrophobicContact CG2-CG 3.97Å; V222-L248 HydrophobicContact CG1-CD1 4.45Å; V222-L248 HydrophobicContact CG1-CD2 3.46Å; V222-L248 VanDerWaalsContact CG1-CD2 3.46Å; A226-L248 HydrophobicContact CB-CD2 4.24Å
249	A	98.3	Very high	96.8	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-56.7	162.2	168.1	0	0	0	0	0	112.1	R144 Q225 R253	R144-A249 PolarHBondContact NH2-O 3.41Å; Q225-A249 HydrophobicContact CB-CB 4.05Å; Q225-A249 VanDerWaalsContact O-CB 3.3Å; Q225-A249 WeakPolarHBondContact O-CB 3.33Å; A249-R253 HydrophobicContact CB-CB 4.35Å
250	D	98.1	Very high	97.1	Very high	108 Å²	108	47.8 Å²	47.8	58%	0.578	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-57	139.3	162.2	-168.7	-85.6	0	0	0	109.7	R252 R253 V254	D250-R252 PolarHBondContact O-N 3.5Å; D250-R252 WeakPolarHBondContact OD1-CB 3.48Å; D250-R252 PolarHBondContact OD1-N 3.49Å; D250-R253 WeakPolarHBondContact O-CB 3.48Å; D250-R253 PolarHBondContact O-N 2.91Å; D250-V254 PolarHBondContact O-N 3.03Å
251	F	98.6	Very high	97.5	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-23.8	-175	-162.8	-104.9	0	0	0	112.4	T91 E95 I133 A136 N140 R253 V254 G255	T91-F251 HydrophobicContact CG2-CB 4.37Å; T91-F251 HydrophobicContact CG2-CD1 3.44Å; T91-F251 VanDerWaalsContact CG2-CD1 3.44Å; T91-F251 HydrophobicContact CG2-CD2 4.35Å; T91-F251 HydrophobicContact CG2-CE1 3.68Å; T91-F251 HydrophobicContact CG2-CG 3.8Å; T91-F251 HydrophobicContact CG2-CZ 4.25Å; E95-F251 HydrophobicContact CB-CD1 3.81Å; E95-F251 HydrophobicContact CB-CE1 3.61Å; E95-F251 HydrophobicContact CG-CD1 3.91Å; E95-F251 HydrophobicContact CG-CE1 3.92Å; I133-F251 HydrophobicContact CD1-CE1 3.8Å; I133-F251 HydrophobicContact CD1-CZ 3.77Å; I133-F251 HydrophobicContact CG1-CE1 4.28Å; I133-F251 HydrophobicContact CG1-CZ 4.3Å; A136-F251 HydrophobicContact CB-CE2 4.19Å; A136-F251 HydrophobicContact CB-CZ 4.31Å; N140-F251 HydrophobicContact CB-CD2 3.83Å; N140-F251 HydrophobicContact CB-CE2 3.93Å; F251-R253 VanDerWaalsContact C-N 3.32Å; F251-R253 PolarHBondContact O-N 2.92Å; F251-V254 HydrophobicContact CD2-CB 4.37Å; F251-V254 HydrophobicContact CE2-CG1 4.39Å; F251-V254 WeakPolarHBondContact O-CB 3.4Å; F251-V254 PolarHBondContact O-N 3.47Å; F251-G255 PolarHBondContact O-N 3Å
252	R	98.6	Very high	97.8	Very high	71 Å²	71	41.4 Å²	41.4	27%	0.268	19%	0.186	S	C	.	.	H	α-helix	trans	-57.7	-44	170.6	177.4	50.6	48.5	70.4	4.3	111.9	E95 Y98 D250 V254 G255 E256	E95-R252 VanDerWaalsContact CD-NE 3.33Å; E95-R252 WeakPolarHBondContact OE1-CD 3.36Å; E95-R252 IonicContact OE1-CZ 3.82Å; E95-R252 IonicContact OE1-NE 2.81Å; E95-R252 PolarHBondContact OE1-NE 3.28Å; E95-R252 IonicContact OE2-CZ 2.84Å; E95-R252 IonicContact OE2-NE 2.66Å; E95-R252 PolarHBondContact OE2-NE 3.44Å; E95-R252 IonicContact OE2-NH2 3.48Å; E95-R252 PolarHBondContact OE2-NH2 2.84Å; Y98-R252 VanDerWaalsContact CD1-NE 3.32Å; Y98-R252 VanDerWaalsContact CE1-NE 3.31Å; Y98-R252 VanDerWaalsContact CG-NH2 3.26Å; Y98-R252 PolarHBondContact OH-NH1 2.73Å; D250-R252 PolarHBondContact O-N 3.5Å; D250-R252 WeakPolarHBondContact OD1-CB 3.48Å; D250-R252 PolarHBondContact OD1-N 3.49Å; R252-V254 VanDerWaalsContact C-N 3.29Å; R252-V254 PolarHBondContact O-N 3Å; R252-G255 WeakPolarHBondContact O-CA 3.5Å; R252-G255 PolarHBondContact O-N 3.01Å; R252-G255 VanDerWaalsContact O-N 3.13Å; R252-E256 VanDerWaalsContact CD-OE1 3.27Å; R252-E256 WeakPolarHBondContact CD-OE1 3.21Å; R252-E256 HydrophobicContact CG-CG 4.46Å; R252-E256 VanDerWaalsContact CG-OE1 3.27Å; R252-E256 WeakPolarHBondContact CG-OE1 3.26Å; R252-E256 WeakPolarHBondContact O-CG 3.41Å; R252-E256 PolarHBondContact O-N 3.1Å
253	R	98.5	Very high	98	Very high	140 Å²	140	43.4 Å²	43.4	53%	0.528	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-36.4	178.5	-179.5	173.5	172.6	157.2	2.7	111.9	A249 D250 F251 F257	A249-R253 HydrophobicContact CB-CB 4.35Å; D250-R253 WeakPolarHBondContact O-CB 3.48Å; D250-R253 PolarHBondContact O-N 2.91Å; F251-R253 VanDerWaalsContact C-N 3.32Å; F251-R253 PolarHBondContact O-N 2.92Å; R253-F257 WeakPolarHBondContact O-CB 3.48Å; R253-F257 PolarHBondContact O-N 2.98Å
254	V	98.8	Very high	98.1	Very high	2 Å²	2	46 Å²	46	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-44.1	173.1	178.1	0	0	0	0	110.6	A136 A221 V222 Q225 D250 F251 R252 F257 L258	A136-V254 HydrophobicContact CB-CG1 4.1Å; A221-V254 HydrophobicContact CB-CG1 4.24Å; V222-V254 HydrophobicContact CG2-CG1 3.9Å; V222-V254 HydrophobicContact CG2-CG2 4.42Å; Q225-V254 HydrophobicContact CB-CG2 4.31Å; D250-V254 PolarHBondContact O-N 3.03Å; F251-V254 HydrophobicContact CD2-CB 4.37Å; F251-V254 HydrophobicContact CE2-CG1 4.39Å; F251-V254 WeakPolarHBondContact O-CB 3.4Å; F251-V254 PolarHBondContact O-N 3.47Å; R252-V254 VanDerWaalsContact C-N 3.29Å; R252-V254 PolarHBondContact O-N 3Å; V254-F257 PolarHBondContact O-N 3.46Å; V254-L258 HydrophobicContact CG1-CD1 4.02Å; V254-L258 HydrophobicContact CG1-CG 4.46Å; V254-L258 WeakPolarHBondContact O-CB 3.26Å; V254-L258 WeakPolarHBondContact O-CG 3.19Å; V254-L258 PolarHBondContact O-N 2.78Å
255	G	98.6	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-43.3	176	0	0	0	0	0	113.1	F251 R252 L258 K259	F251-G255 PolarHBondContact O-N 3Å; R252-G255 WeakPolarHBondContact O-CA 3.5Å; R252-G255 PolarHBondContact O-N 3.01Å; R252-G255 VanDerWaalsContact O-N 3.13Å; G255-L258 PolarHBondContact O-N 2.98Å; G255-K259 WeakPolarHBondContact O-CB 3.4Å; G255-K259 PolarHBondContact O-N 3.46Å
256	E	98.6	Very high	98.1	Very high	91 Å²	91	45 Å²	45	43%	0.425	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-49.5	175.6	-73.4	164.2	-179.7	0	0	111.3	R252 L258 K259 E260	R252-E256 VanDerWaalsContact CD-OE1 3.27Å; R252-E256 WeakPolarHBondContact CD-OE1 3.21Å; R252-E256 HydrophobicContact CG-CG 4.46Å; R252-E256 VanDerWaalsContact CG-OE1 3.27Å; R252-E256 WeakPolarHBondContact CG-OE1 3.26Å; R252-E256 WeakPolarHBondContact O-CG 3.41Å; R252-E256 PolarHBondContact O-N 3.1Å; E256-L258 PolarHBondContact O-N 2.89Å; E256-K259 WeakPolarHBondContact O-CA 3.31Å; E256-K259 WeakPolarHBondContact O-CB 3.09Å; E256-K259 PolarHBondContact O-N 3.18Å; E256-E260 PolarHBondContact O-N 2.9Å
257	F	98.6	Very high	98.2	Very high	31 Å²	31	44.6 Å²	44.6	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-46.8	176.2	177	-97.1	0	0	0	112.2	A221 Q225 R253 V254 K259 E260 K261	A221-F257 HydrophobicContact CB-CD1 3.65Å; A221-F257 HydrophobicContact CB-CE1 3.8Å; Q225-F257 VanDerWaalsContact NE2-CD2 3.3Å; R253-F257 WeakPolarHBondContact O-CB 3.48Å; R253-F257 PolarHBondContact O-N 2.98Å; V254-F257 PolarHBondContact O-N 3.46Å; F257-K259 PolarHBondContact O-N 2.91Å; F257-E260 WeakPolarHBondContact O-CB 3.08Å; F257-E260 PolarHBondContact O-N 3Å; F257-K261 HydrophobicContact CD1-CG 4.49Å; F257-K261 HydrophobicContact CE1-CG 4.14Å; F257-K261 HydrophobicContact CZ-CG 4.36Å; F257-K261 WeakPolarHBondContact O-CG 3.47Å; F257-K261 PolarHBondContact O-N 3.05Å; F257-K261 VanDerWaalsContact O-N 3.13Å
258	L	98.8	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-30.3	176.4	-72.1	175.4	0	0	0	111.9	F129 A132 I133 A136 A221 V254 G255 E256 K261 Y262 M291	F129-L258 HydrophobicContact CD2-CB 4.34Å; F129-L258 HydrophobicContact CE2-CB 3.79Å; A132-L258 HydrophobicContact CB-CD1 4.48Å; A132-L258 HydrophobicContact CB-CD2 4.14Å; I133-L258 HydrophobicContact CB-CD1 4.31Å; I133-L258 HydrophobicContact CD1-CD1 3.67Å; A136-L258 HydrophobicContact CB-CD1 4.05Å; A221-L258 HydrophobicContact CB-CD1 4.37Å; A221-L258 HydrophobicContact CB-CD2 3.6Å; A221-L258 HydrophobicContact CB-CG 3.9Å; V254-L258 HydrophobicContact CG1-CD1 4.02Å; V254-L258 HydrophobicContact CG1-CG 4.46Å; V254-L258 WeakPolarHBondContact O-CB 3.26Å; V254-L258 WeakPolarHBondContact O-CG 3.19Å; V254-L258 PolarHBondContact O-N 2.78Å; G255-L258 PolarHBondContact O-N 2.98Å; E256-L258 PolarHBondContact O-N 2.89Å; L258-K261 PolarHBondContact O-N 3.13Å; L258-Y262 PolarHBondContact O-N 3.08Å; L258-M291 HydrophobicContact CB-CE 3.76Å; L258-M291 HydrophobicContact CD2-CE 3.6Å; L258-M291 HydrophobicContact CG-CE 4.24Å; L258-M291 WeakPolarHBondContact O-CE 3.36Å
259	K	98.3	Very high	98	Very high	17 Å²	17	46.6 Å²	46.6	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-33.7	179.3	178.6	63.5	-156.9	62.1	0	111.7	Q99 F100 R103 F129 G255 E256 F257 Y262 D263	Q99-K259 HydrophobicContact CB-CD 4.19Å; Q99-K259 HydrophobicContact CB-CG 4.42Å; Q99-K259 HydrophobicContact CG-CB 4.38Å; F100-K259 HydrophobicContact CE2-CD 4.03Å; F100-K259 HydrophobicContact CZ-CD 4.19Å; R103-K259 VanDerWaalsContact NH2-NZ 3.1Å; F129-K259 HydrophobicContact CE2-CB 4.17Å; G255-K259 WeakPolarHBondContact O-CB 3.4Å; G255-K259 PolarHBondContact O-N 3.46Å; E256-K259 WeakPolarHBondContact O-CA 3.31Å; E256-K259 WeakPolarHBondContact O-CB 3.09Å; E256-K259 PolarHBondContact O-N 3.18Å; F257-K259 PolarHBondContact O-N 2.91Å; K259-Y262 HydrophobicContact CD-CD1 4.35Å; K259-Y262 PolarHBondContact O-N 3.32Å; K259-D263 IonicContact NZ-OD1 3.44Å; K259-D263 PolarHBondContact NZ-OD1 2.84Å; K259-D263 IonicContact NZ-OD2 3.72Å; K259-D263 PolarHBondContact NZ-OD2 3.09Å; K259-D263 PolarHBondContact O-N 3.3Å
260	E	97.9	Very high	97.9	Very high	131 Å²	131	49 Å²	49	61%	0.612	25%	0.245	S	C	*	.	H	α-helix	trans	-63.8	-48.4	168.5	-67.3	172.9	-177.2	0	0	110.7	E256 F257 Y262 D263 S264	E256-E260 PolarHBondContact O-N 2.9Å; F257-E260 WeakPolarHBondContact O-CB 3.08Å; F257-E260 PolarHBondContact O-N 3Å; E260-Y262 PolarHBondContact O-N 3.29Å; E260-D263 PolarHBondContact O-N 3.21Å; E260-S264 PolarHBondContact O-N 3.23Å
261	K	98.4	Very high	97.6	Very high	36 Å²	36	44.3 Å²	44.3	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-31.2	176.4	-65.6	-59.6	-167	173	0	113.4	F257 L258 S264 A265 D290 M291	F257-K261 HydrophobicContact CD1-CG 4.49Å; F257-K261 HydrophobicContact CE1-CG 4.14Å; F257-K261 HydrophobicContact CZ-CG 4.36Å; F257-K261 WeakPolarHBondContact O-CG 3.47Å; F257-K261 PolarHBondContact O-N 3.05Å; F257-K261 VanDerWaalsContact O-N 3.13Å; L258-K261 PolarHBondContact O-N 3.13Å; K261-S264 CarbonylContact O-C 3.59Å; K261-S264 PolarHBondContact O-OG 3.42Å; K261-A265 PolarHBondContact O-N 3.09Å; K261-A265 VanDerWaalsContact O-N 3.11Å; K261-D290 IonicContact NZ-OD1 3.2Å; K261-D290 PolarHBondContact NZ-OD1 3.09Å; K261-M291 HydrophobicContact CB-CE 4.16Å; K261-M291 HydrophobicContact CB-CG 4.12Å; K261-M291 HydrophobicContact CB-SD 4.47Å
262	Y	98.3	Very high	97.1	Very high	13 Å²	13	55.8 Å²	55.8	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-41.8	172.3	163	-85.2	0	0	0	112.5	F100 R125 E126 F129 L258 K259 E260 S264 A265	F100-Y262 HydrophobicContact CE1-CD1 4.38Å; F100-Y262 HydrophobicContact CE1-CD2 4.4Å; F100-Y262 AromaticContact CE1-CE1 3.85Å; F100-Y262 HydrophobicContact CE1-CE1 3.85Å; F100-Y262 AromaticContact CE1-CE2 3.84Å; F100-Y262 HydrophobicContact CE1-CE2 3.84Å; F100-Y262 AromaticContact CE1-CZ 3.55Å; F100-Y262 AromaticContact CZ-CD1 4Å; F100-Y262 HydrophobicContact CZ-CD1 4Å; F100-Y262 AromaticContact CZ-CD2 3.79Å; F100-Y262 HydrophobicContact CZ-CD2 3.79Å; F100-Y262 AromaticContact CZ-CE1 3.92Å; F100-Y262 HydrophobicContact CZ-CE1 3.92Å; F100-Y262 AromaticContact CZ-CE2 3.68Å; F100-Y262 HydrophobicContact CZ-CE2 3.68Å; F100-Y262 AromaticContact CZ-CG 3.94Å; F100-Y262 HydrophobicContact CZ-CG 3.94Å; F100-Y262 AromaticContact CZ-CZ 3.77Å; R125-Y262 VanDerWaalsContact C-CE2 3.47Å; R125-Y262 HydrophobicContact CB-CD2 3.95Å; R125-Y262 HydrophobicContact CB-CE2 3.49Å; R125-Y262 VanDerWaalsContact CB-CE2 3.49Å; R125-Y262 WeakPolarHBondContact O-CD2 3.41Å; R125-Y262 WeakPolarHBondContact O-CE2 3.27Å; E126-Y262 HydrophobicContact CG-CE2 4.32Å; E126-Y262 PolarHBondContact OE1-OH 3.39Å; F129-Y262 HydrophobicContact CB-CD2 3.85Å; F129-Y262 HydrophobicContact CB-CG 4.48Å; F129-Y262 HydrophobicContact CD2-CG 4.45Å; L258-Y262 PolarHBondContact O-N 3.08Å; K259-Y262 HydrophobicContact CD-CD1 4.35Å; K259-Y262 PolarHBondContact O-N 3.32Å; E260-Y262 PolarHBondContact O-N 3.29Å; Y262-S264 PolarHBondContact O-N 3.27Å; Y262-A265 WeakPolarHBondContact O-CB 3.5Å; Y262-A265 PolarHBondContact O-N 3.11Å
263	D	96.7	Very high	96.5	Very high	81 Å²	81	61.1 Å²	61.1	43%	0.433	29%	0.289	S	S	.	.	H	α-helix	trans	-67.2	-29.9	-179.2	-72.4	-33.6	0	0	0	111.2	R103 K259 E260	R103-D263 IonicContact CZ-OD1 3.57Å; R103-D263 IonicContact NH1-OD1 3.29Å; R103-D263 IonicContact NH2-OD1 3.5Å; R103-D263 PolarHBondContact NH2-OD1 2.87Å; R103-D263 IonicContact NH2-OD2 3.44Å; R103-D263 PolarHBondContact NH2-OD2 3.4Å; K259-D263 IonicContact NZ-OD1 3.44Å; K259-D263 PolarHBondContact NZ-OD1 2.84Å; K259-D263 IonicContact NZ-OD2 3.72Å; K259-D263 PolarHBondContact NZ-OD2 3.09Å; K259-D263 PolarHBondContact O-N 3.3Å; E260-D263 PolarHBondContact O-N 3.21Å
264	S	96.7	Very high	96.1	Very high	80 Å²	80	54.8 Å²	54.8	56%	0.559	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	17.7	176	70.7	0	0	0	0	114.7	E260 K261 Y262	E260-S264 PolarHBondContact O-N 3.23Å; K261-S264 CarbonylContact O-C 3.59Å; K261-S264 PolarHBondContact O-OG 3.42Å; Y262-S264 PolarHBondContact O-N 3.27Å
265	A	98	Very high	95.8	Very high	14 Å²	14	61.6 Å²	61.6	12%	0.116	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.4	140.9	-174.9	0	0	0	0	0	112.6	R125 K261 Y262 M291 Y293	R125-A265 HydrophobicContact CG-CB 4.1Å; K261-A265 PolarHBondContact O-N 3.09Å; K261-A265 VanDerWaalsContact O-N 3.11Å; Y262-A265 WeakPolarHBondContact O-CB 3.5Å; Y262-A265 PolarHBondContact O-N 3.11Å; A265-M291 CarbonylContact C-O 3.51Å; A265-M291 WeakPolarHBondContact CA-O 3.14Å; A265-M291 HydrophobicContact CB-CB 3.84Å; A265-Y293 HydrophobicContact CB-CD1 4.07Å; A265-Y293 HydrophobicContact CB-CE1 4.42Å; A265-Y293 WeakPolarHBondContact O-CE1 3.49Å
266	A	98	Very high	95.6	Very high	19 Å²	19	63.4 Å²	63.4	16%	0.157	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.8	-175.3	0	0	0	0	0	112.8	M268 L278 P286 M291 V292 Y293	A266-M268 HydrophobicContact CB-SD 4.22Å; A266-L278 HydrophobicContact CB-CD2 3.88Å; A266-P286 HydrophobicContact CB-CB 4.28Å; A266-P286 HydrophobicContact CB-CG 4.34Å; A266-M291 PolarHBondContact N-O 3.39Å; A266-V292 HydrophobicContact CB-CG1 4.46Å; A266-V292 WeakPolarHBondContact O-CA 3.38Å; A266-Y293 VanDerWaalsContact O-CD1 3.24Å; A266-Y293 WeakPolarHBondContact O-CD1 3.42Å; A266-Y293 PolarHBondContact O-N 3.5Å
267	A	98.1	Very high	95.5	Very high	26 Å²	26	62.3 Å²	62.3	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123	172.9	0	0	0	0	0	110.4	K279 Y293	A267-K279 HydrophobicContact CB-CB 4.12Å; A267-K279 HydrophobicContact CB-CD 4.48Å; A267-K279 WeakPolarHBondContact O-CB 3.35Å; A267-K279 PolarHBondContact O-N 3.3Å; A267-Y293 HydrophobicContact CB-CE1 3.91Å; A267-Y293 HydrophobicContact CB-CE2 3.97Å
268	M	97.9	Very high	95.4	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.064	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.1	-177	-53.9	-58	-78.2	0	0	111.2	A266 L276 E277 L278 P286 V292 Y293 I294	A266-M268 HydrophobicContact CB-SD 4.22Å; M268-L276 HydrophobicContact CB-CB 4.42Å; M268-L276 HydrophobicContact CB-CD2 4.45Å; M268-L276 HydrophobicContact CE-CB 4.03Å; M268-E277 CarbonylContact C-O 3.47Å; M268-E277 VanDerWaalsContact CA-O 3.32Å; M268-E277 WeakPolarHBondContact CA-O 3.43Å; M268-L278 HydrophobicContact SD-CD2 3.71Å; M268-L278 HydrophobicContact SD-CG 4.08Å; M268-P286 HydrophobicContact CE-CG 4.01Å; M268-P286 HydrophobicContact SD-CG 4.03Å; M268-V292 HydrophobicContact CG-CB 3.64Å; M268-V292 HydrophobicContact CG-CG1 3.88Å; M268-V292 HydrophobicContact SD-CG1 4.24Å; M268-Y293 PolarHBondContact N-O 3.39Å; M268-I294 HydrophobicContact CB-CG2 4.21Å
269	Q	95.7	Very high	95.3	Very high	87 Å²	87	68 Å²	68	41%	0.407	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.9	171.5	64.4	-178.6	20	0	0	109.9	G271 L276 E277	Q269-G271 PolarHBondContact O-N 3.32Å; Q269-L276 WeakPolarHBondContact O-CA 3.33Å; Q269-E277 PolarHBondContact N-O 3.16Å; Q269-E277 PolarHBondContact O-N 3.03Å
270	I	95.2	Very high	95.1	Very high	55 Å²	55	69.4 Å²	69.4	28%	0.282	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.8	175.7	-163.1	62.4	0	0	0	109.9	Y205 A206 L276	Y205-I270 HydrophobicContact CD1-CD1 4.23Å; A206-I270 HydrophobicContact CB-CB 4.03Å; A206-I270 HydrophobicContact CB-CD1 4.12Å; A206-I270 HydrophobicContact CB-CG1 4.33Å; I270-L276 HydrophobicContact CD1-CD2 4.45Å
271	G	92.4	Very high	94.9	Very high	8 Å²	8	71.3 Å²	71.3	8%	0.082	34%	0.341	C	S	.	.			trans	-76.5	165.6	175.7	0	0	0	0	0	112.3	Q269 K273 G274 K275	Q269-G271 PolarHBondContact O-N 3.32Å; G271-K273 PolarHBondContact O-N 3.14Å; G271-K273 VanDerWaalsContact O-N 3.13Å; G271-G274 PolarHBondContact O-N 3.35Å; G271-K275 PolarHBondContact N-O 3.32Å
272	R	86.8	Confident	94.7	Very high	257 Å²	257	79.6 Å²	79.6	97%	0.97	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.1	-179.2	-64.1	-176.1	-178.5	-172.9	0.3	113.5	G274	R272-G274 VanDerWaalsContact C-N 3.25Å; R272-G274 PolarHBondContact O-N 3.36Å
273	K	87.2	Confident	94.5	Very high	183 Å²	183	85.6 Å²	85.6	80%	0.796	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	7.5	177.4	-63.8	-176.4	179.6	179.3	0	113.1	G271 K275	G271-K273 PolarHBondContact O-N 3.14Å; G271-K273 VanDerWaalsContact O-N 3.13Å; K273-K275 VanDerWaalsContact C-N 3.33Å
274	G	89.2	Confident	94.3	Very high	6 Å²	6	89 Å²	89	6%	0.062	42%	0.416	C	S	.	.	S	Bend	trans	69.5	27.5	-176.5	0	0	0	0	0	113.4	Y205 G271 R272	Y205-G274 VanDerWaalsContact CE1-O 3.31Å; Y205-G274 WeakPolarHBondContact CE1-O 3.15Å; G271-G274 PolarHBondContact O-N 3.35Å; R272-G274 VanDerWaalsContact C-N 3.25Å; R272-G274 PolarHBondContact O-N 3.36Å
275	K	92.6	Very high	94.3	Very high	145 Å²	145	91.2 Å²	91.2	63%	0.63	42%	0.422	S	S	*	.			trans	-105.4	149.7	172.1	-67.8	-171.3	176.7	-172.6	0	109.6	G271 K273 E277	G271-K275 PolarHBondContact N-O 3.32Å; K273-K275 VanDerWaalsContact C-N 3.33Å; K275-E277 PolarHBondContact O-N 3.3Å
276	L	95.3	Very high	94.2	Very high	38 Å²	38	92 Å²	92	20%	0.199	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.5	167.3	-68.8	-179.1	0	0	0	108.7	A206 L209 M210 M268 Q269 I270 I294	A206-L276 HydrophobicContact CB-CD2 4.01Å; L209-L276 HydrophobicContact CB-CD1 3.62Å; L209-L276 HydrophobicContact CB-CG 3.9Å; L209-L276 HydrophobicContact CD1-CG 4.07Å; M210-L276 HydrophobicContact CB-CD1 4.37Å; M268-L276 HydrophobicContact CB-CB 4.42Å; M268-L276 HydrophobicContact CB-CD2 4.45Å; M268-L276 HydrophobicContact CE-CB 4.03Å; Q269-L276 WeakPolarHBondContact O-CA 3.33Å; I270-L276 HydrophobicContact CD1-CD2 4.45Å; L276-I294 HydrophobicContact CD2-CG2 4.1Å
277	E	95.8	Very high	94.1	Very high	69 Å²	69	94.3 Å²	94.3	32%	0.322	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.4	178.8	-66.9	176.5	-170.9	0	0	108.7	M268 Q269 K275 K279	M268-E277 CarbonylContact C-O 3.47Å; M268-E277 VanDerWaalsContact CA-O 3.32Å; M268-E277 WeakPolarHBondContact CA-O 3.43Å; Q269-E277 PolarHBondContact N-O 3.16Å; Q269-E277 PolarHBondContact O-N 3.03Å; K275-E277 PolarHBondContact O-N 3.3Å; E277-K279 PolarHBondContact O-N 2.85Å
278	L	96.7	Very high	94	Very high	13 Å²	13	96.6 Å²	96.6	7%	0.068	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	135.5	174.9	-82.6	168.6	0	0	0	110.9	A266 M268 D280 F283 N284	A266-L278 HydrophobicContact CB-CD2 3.88Å; M268-L278 HydrophobicContact SD-CD2 3.71Å; M268-L278 HydrophobicContact SD-CG 4.08Å; L278-D280 VanDerWaalsContact C-N 3.35Å; L278-F283 WeakPolarHBondContact CD1-O 3.43Å; L278-N284 WeakPolarHBondContact CD1-O 3.32Å
279	K	95.6	Very high	93.9	Very high	136 Å²	136	99 Å²	99	59%	0.591	46%	0.461	S	S	*	.	S	Bend	trans	-67.3	-39.1	172.5	-170.3	174.4	-179	176.7	0	111.1	A267 E277	A267-K279 HydrophobicContact CB-CB 4.12Å; A267-K279 HydrophobicContact CB-CD 4.48Å; A267-K279 WeakPolarHBondContact O-CB 3.35Å; A267-K279 PolarHBondContact O-N 3.3Å; E277-K279 PolarHBondContact O-N 2.85Å
280	D	94.7	Very high	94	Very high	48 Å²	48	96.4 Å²	96.4	26%	0.257	45%	0.45	S	S	.	.	S	Bend	trans	-113	111.6	174	-172.9	-14.5	0	0	0	110.3	L278 R282 F283	L278-D280 VanDerWaalsContact C-N 3.35Å; D280-R282 PolarHBondContact O-N 3.25Å; D280-R282 WeakPolarHBondContact OD1-CB 3.43Å; D280-R282 WeakPolarHBondContact OD1-CG 3.31Å; D280-R282 IonicContact OD1-CZ 2.94Å; D280-R282 PolarHBondContact OD1-N 2.88Å; D280-R282 IonicContact OD1-NE 3.19Å; D280-R282 PolarHBondContact OD1-NE 3.26Å; D280-R282 IonicContact OD1-NH2 2.83Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.75Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.03Å; D280-R282 PolarHBondContact OD2-NH2 3.34Å; D280-F283 HydrophobicContact CB-CD2 3.83Å; D280-F283 HydrophobicContact CB-CE2 3.94Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.43Å
281	K	93.1	Very high	94.2	Very high	171 Å²	171	93.8 Å²	93.8	74%	0.743	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.6	-174.5	-62.8	-175.3	178.4	-177.2	0	114.1	F283	K281-F283 VanDerWaalsContact C-N 3.26Å
282	R	94.6	Very high	94.4	Very high	210 Å²	210	93.5 Å²	93.5	79%	0.792	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.9	176.1	-64.4	176.7	-68.5	177.6	1.3	112.4	D280	D280-R282 PolarHBondContact O-N 3.25Å; D280-R282 WeakPolarHBondContact OD1-CB 3.43Å; D280-R282 WeakPolarHBondContact OD1-CG 3.31Å; D280-R282 IonicContact OD1-CZ 2.94Å; D280-R282 PolarHBondContact OD1-N 2.88Å; D280-R282 IonicContact OD1-NE 3.19Å; D280-R282 PolarHBondContact OD1-NE 3.26Å; D280-R282 IonicContact OD1-NH2 2.83Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.75Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.03Å; D280-R282 PolarHBondContact OD2-NH2 3.34Å
283	F	93.3	Very high	95	Very high	138 Å²	138	83.2 Å²	83.2	61%	0.605	40%	0.395	S	S	*	.	S	Bend	trans	-89.5	158.1	178.1	-59.7	-70.9	0	0	0	111.9	L278 D280 K281	L278-F283 WeakPolarHBondContact CD1-O 3.43Å; D280-F283 HydrophobicContact CB-CD2 3.83Å; D280-F283 HydrophobicContact CB-CE2 3.94Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.43Å; K281-F283 VanDerWaalsContact C-N 3.26Å
284	N	94.2	Very high	95.5	Very high	153 Å²	153	76 Å²	76	82%	0.818	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-69.3	145.8	173	-67.2	-32	0	0	0	110.8	L278	L278-N284 WeakPolarHBondContact CD1-O 3.32Å
285	N	94.9	Very high	95.9	Very high	127 Å²	127	77.4 Å²	77.4	68%	0.679	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-59.9	138.1	175.7	-73	-56.1	0	0	0	110.9
286	P	96.5	Very high	96.1	Very high	31 Å²	31	75.6 Å²	75.6	20%	0.201	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-65.1	139.8	179.1	26.5	-33.2	0	0	0	110.9	A266 M268 D290 V292	A266-P286 HydrophobicContact CB-CB 4.28Å; A266-P286 HydrophobicContact CB-CG 4.34Å; M268-P286 HydrophobicContact CE-CG 4.01Å; M268-P286 HydrophobicContact SD-CG 4.03Å; P286-D290 HydrophobicContact CB-CB 3.85Å; P286-V292 HydrophobicContact CB-CG1 3.92Å; P286-V292 HydrophobicContact CG-CG1 3.74Å
287	T	96.8	Very high	96.2	Very high	66 Å²	66	75.4 Å²	75.4	41%	0.405	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-79.7	170.1	170.9	69.1	0	0	0	0	110.8	H213 E289 D290	H213-T287 PolarHBondContact CE1-O 3.3Å; H213-T287 VanDerWaalsContact CE1-O 3.32Å; H213-T287 PolarHBondContact NE2-O 3.4Å; T287-E289 PolarHBondContact O-N 2.69Å; T287-E289 VanDerWaalsContact O-N 3.14Å; T287-E289 PolarHBondContact OG1-N 2.77Å; T287-D290 WeakPolarHBondContact CB-OD2 3.42Å; T287-D290 PolarHBondContact N-OD2 3.13Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 VanDerWaalsContact O-N 3.08Å; T287-D290 PolarHBondContact OG1-OD2 3.31Å
288	P	96.1	Very high	96.1	Very high	74 Å²	74	73.3 Å²	73.3	48%	0.481	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.8	173	-25.4	36.2	0	0	0	114.7	E216 A217	E216-P288 HydrophobicContact CG-CB 4.4Å; A217-P288 WeakPolarHBondContact CA-O 3.47Å; A217-P288 WeakPolarHBondContact CB-O 3.13Å; A217-P288 PolarHBondContact N-O 2.78Å
289	E	95.8	Very high	96.1	Very high	64 Å²	64	77.1 Å²	77.1	30%	0.299	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.3	176.8	-63.2	179.5	-159.5	0	0	113.3	Q220 N224 T287	Q220-E289 HydrophobicContact CB-CG 4.22Å; N224-E289 VanDerWaalsContact ND2-CD 3.34Å; N224-E289 PolarHBondContact ND2-OE1 3.34Å; T287-E289 PolarHBondContact O-N 2.69Å; T287-E289 VanDerWaalsContact O-N 3.14Å; T287-E289 PolarHBondContact OG1-N 2.77Å
290	D	97.7	Very high	96.1	Very high	32 Å²	32	71.5 Å²	71.5	17%	0.171	36%	0.362	C	S	.	.	S	Bend	trans	-86.2	146.1	-178.3	-60.1	-43.1	0	0	0	110.6	H213 K261 P286 T287	H213-D290 PolarHBondContact CD2-O 3.13Å; H213-D290 VanDerWaalsContact CD2-O 3.3Å; H213-D290 PolarHBondContact NE2-O 2.81Å; K261-D290 IonicContact NZ-OD1 3.2Å; K261-D290 PolarHBondContact NZ-OD1 3.09Å; P286-D290 HydrophobicContact CB-CB 3.85Å; T287-D290 WeakPolarHBondContact CB-OD2 3.42Å; T287-D290 PolarHBondContact N-OD2 3.13Å; T287-D290 PolarHBondContact O-N 3.37Å; T287-D290 VanDerWaalsContact O-N 3.08Å; T287-D290 PolarHBondContact OG1-OD2 3.31Å
291	M	98	Very high	96.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.354	C	S	.	.			trans	-84.3	146.3	175.9	-69.5	-173.6	-170.2	0	0	111.3	A128 F129 A132 N214 L258 K261 A265 A266	A128-M291 HydrophobicContact CB-CB 4.45Å; F129-M291 HydrophobicContact CB-SD 4.16Å; F129-M291 HydrophobicContact CD2-CE 3.83Å; F129-M291 HydrophobicContact CD2-SD 4.29Å; A132-M291 HydrophobicContact CB-CE 3.69Å; N214-M291 WeakPolarHBondContact OD1-CA 3.5Å; L258-M291 HydrophobicContact CB-CE 3.76Å; L258-M291 HydrophobicContact CD2-CE 3.6Å; L258-M291 HydrophobicContact CG-CE 4.24Å; L258-M291 WeakPolarHBondContact O-CE 3.36Å; K261-M291 HydrophobicContact CB-CE 4.16Å; K261-M291 HydrophobicContact CB-CG 4.12Å; K261-M291 HydrophobicContact CB-SD 4.47Å; A265-M291 CarbonylContact C-O 3.51Å; A265-M291 WeakPolarHBondContact CA-O 3.14Å; A265-M291 HydrophobicContact CB-CB 3.84Å; A266-M291 PolarHBondContact N-O 3.39Å
292	V	98.5	Very high	96.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.8	178.2	-60.5	0	0	0	0	111.6	A128 M210 H213 N214 A266 M268 P286	A128-V292 WeakPolarHBondContact CB-O 3.37Å; M210-V292 HydrophobicContact CG-CG2 3.96Å; M210-V292 VanDerWaalsContact CG-O 3.31Å; M210-V292 WeakPolarHBondContact CG-O 3.1Å; H213-V292 HydrophobicContact CB-CG2 3.89Å; H213-V292 VanDerWaalsContact CD2-CG2 3.48Å; H213-V292 WeakPolarHBondContact CD2-CG2 3.27Å; N214-V292 PolarHBondContact ND2-O 2.78Å; N214-V292 PolarHBondContact OD1-N 3.31Å; N214-V292 PolarHBondContact OD1-O 3.04Å; A266-V292 HydrophobicContact CB-CG1 4.46Å; A266-V292 WeakPolarHBondContact O-CA 3.38Å; M268-V292 HydrophobicContact CG-CB 3.64Å; M268-V292 HydrophobicContact CG-CG1 3.88Å; M268-V292 HydrophobicContact SD-CG1 4.24Å; P286-V292 HydrophobicContact CB-CG1 3.92Å; P286-V292 HydrophobicContact CG-CG1 3.74Å
293	Y	98.6	Very high	96.2	Very high	42 Å²	42	65 Å²	65	17%	0.165	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.5	178.1	74.2	-86.6	0	0	0	110.8	G123 R125 A265 A266 A267 M268 D295	G123-Y293 WeakPolarHBondContact O-CB 3.38Å; R125-Y293 HydrophobicContact CG-CD1 3.36Å; R125-Y293 HydrophobicContact CG-CD2 4.14Å; R125-Y293 HydrophobicContact CG-CE1 3.57Å; R125-Y293 HydrophobicContact CG-CE2 4.32Å; R125-Y293 HydrophobicContact CG-CG 3.64Å; A265-Y293 HydrophobicContact CB-CD1 4.07Å; A265-Y293 HydrophobicContact CB-CE1 4.42Å; A265-Y293 WeakPolarHBondContact O-CE1 3.49Å; A266-Y293 VanDerWaalsContact O-CD1 3.24Å; A266-Y293 WeakPolarHBondContact O-CD1 3.42Å; A266-Y293 PolarHBondContact O-N 3.5Å; A267-Y293 HydrophobicContact CB-CE1 3.91Å; A267-Y293 HydrophobicContact CB-CE2 3.97Å; M268-Y293 PolarHBondContact N-O 3.39Å; Y293-D295 VanDerWaalsContact CD2-O 3.24Å; Y293-D295 WeakPolarHBondContact CD2-O 3.49Å
294	I	98.1	Very high	96.2	Very high	31 Å²	31	61.6 Å²	61.6	16%	0.159	33%	0.327	C	S	.	.	S	Bend	trans	-118.1	-21.3	-174.7	63	174.8	0	0	0	113.9	G123 A206 R207 M210 M268 L276	G123-I294 PolarHBondContact O-N 2.92Å; A206-I294 HydrophobicContact CB-CD1 4.23Å; R207-I294 HydrophobicContact CB-CD1 3.96Å; M210-I294 HydrophobicContact CB-CG2 4.21Å; M210-I294 HydrophobicContact CG-CG2 4.18Å; M210-I294 HydrophobicContact SD-CG1 3.96Å; M210-I294 HydrophobicContact SD-CG2 4.38Å; M268-I294 HydrophobicContact CB-CG2 4.21Å; L276-I294 HydrophobicContact CD2-CG2 4.1Å
295	D	97.4	Very high	96	Very high	35 Å²	35	60.6 Å²	60.6	19%	0.187	32%	0.317	C	S	.	.	S	Bend	trans	-119.3	146.3	178	-61.4	-43.2	0	0	0	110.4	I122 G123 S124 R203 Y293	I122-D295 HydrophobicContact CG2-CB 3.83Å; G123-D295 WeakPolarHBondContact CA-OD2 3.33Å; G123-D295 PolarHBondContact N-OD2 3.21Å; G123-D295 PolarHBondContact O-N 3.1Å; S124-D295 WeakPolarHBondContact CA-O 3.28Å; R203-D295 IonicContact CZ-OD1 3.09Å; R203-D295 IonicContact CZ-OD2 3.58Å; R203-D295 IonicContact NE-OD1 3.36Å; R203-D295 IonicContact NE-OD2 2.78Å; R203-D295 VanDerWaalsContact NH2-CG 3.3Å; R203-D295 IonicContact NH2-OD1 3.77Å; R203-D295 PolarHBondContact NH2-OD1 3.5Å; R203-D295 IonicContact NH2-OD2 3.27Å; R203-D295 PolarHBondContact NH2-OD2 3Å; Y293-D295 VanDerWaalsContact CD2-O 3.24Å; Y293-D295 WeakPolarHBondContact CD2-O 3.49Å
296	T	96.8	Very high	95.7	Very high	108 Å²	108	60.1 Å²	60.1	66%	0.663	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-63.3	138.9	172.1	50.4	0	0	0	0	110.8
297	S	96.4	Very high	95.4	Very high	33 Å²	33	59.9 Å²	59.9	23%	0.231	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-57.8	138.1	172.3	-56.9	0	0	0	0	110.3	E126	E126-S297 PolarHBondContact OE1-OG 3.34Å; E126-S297 WeakPolarHBondContact OE2-CB 3.47Å; E126-S297 PolarHBondContact OE2-OG 3.44Å
298	P	95.3	Very high	95	Very high	26 Å²	26	57.8 Å²	57.8	17%	0.169	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-68.7	169.6	175.5	32.4	-37.3	0	0	0	111	I122 Y300 T307	I122-P298 HydrophobicContact CD1-CB 4.26Å; I122-P298 HydrophobicContact CD1-CG 3.88Å; P298-Y300 WeakPolarHBondContact CD-OH 3.36Å; P298-Y300 HydrophobicContact CG-CD1 4.34Å; P298-Y300 HydrophobicContact CG-CE1 3.68Å; P298-Y300 HydrophobicContact CG-CE2 4.16Å; P298-Y300 WeakPolarHBondContact O-CD2 3.37Å; P298-Y300 PolarHBondContact O-N 3.38Å; P298-T307 HydrophobicContact CB-CG2 3.88Å
299	D	94.7	Very high	94.8	Very high	93 Å²	93	54.4 Å²	54.4	50%	0.497	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-73.1	117.6	168.6	-177.3	18.4	0	0	0	110.7	C301	D299-C301 WeakPolarHBondContact OD1-CB 3.16Å; D299-C301 PolarHBondContact OD1-N 3.14Å; D299-C301 PolarHBondContact OD1-SG 3.32Å
300	Y	96.1	Very high	94.6	Very high	18 Å²	18	56 Å²	56	7%	0.071	30%	0.296	C	S	.	.			trans	-92.3	0.5	177.7	-64.6	-66.2	0	0	0	113.7	W105 V119 E126 P298 S309 G311	W105-Y300 HydrophobicContact CB-CD1 3.86Å; W105-Y300 HydrophobicContact CB-CD2 3.84Å; W105-Y300 HydrophobicContact CB-CE1 3.88Å; W105-Y300 HydrophobicContact CB-CE2 3.86Å; W105-Y300 HydrophobicContact CB-CG 3.84Å; W105-Y300 AromaticContact CD1-CE1 3.67Å; W105-Y300 HydrophobicContact CG-CD1 4.36Å; W105-Y300 AromaticContact CG-CE1 3.99Å; W105-Y300 HydrophobicContact CG-CE1 3.99Å; W105-Y300 HydrophobicContact CG-CE2 4.47Å; V119-Y300 HydrophobicContact CG2-CE1 3.9Å; V119-Y300 VanDerWaalsContact CG2-OH 3.24Å; V119-Y300 WeakPolarHBondContact CG2-OH 3.16Å; E126-Y300 HydrophobicContact CG-CE2 4.07Å; E126-Y300 PolarHBondContact OE2-OH 2.88Å; P298-Y300 WeakPolarHBondContact CD-OH 3.36Å; P298-Y300 HydrophobicContact CG-CD1 4.34Å; P298-Y300 HydrophobicContact CG-CE1 3.68Å; P298-Y300 HydrophobicContact CG-CE2 4.16Å; P298-Y300 WeakPolarHBondContact O-CD2 3.37Å; P298-Y300 PolarHBondContact O-N 3.38Å; Y300-S309 WeakPolarHBondContact CA-OG 3.46Å; Y300-G311 WeakPolarHBondContact O-CA 3.43Å
301	C	95.6	Very high	94.5	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.081	30%	0.295	C	S	.	.	S	Bend	trans	-67.9	-42.6	-179.5	-73.2	0	0	0	0	112.8	D299 G311 T312 C332 R334	D299-C301 WeakPolarHBondContact OD1-CB 3.16Å; D299-C301 PolarHBondContact OD1-N 3.14Å; D299-C301 PolarHBondContact OD1-SG 3.32Å; C301-G311 WeakPolarHBondContact O-CA 3.48Å; C301-T312 PolarHBondContact O-N 3.39Å; C301-T312 PolarHBondContact O-OG1 3.32Å; C301-C332 VanDerWaalsContact CA-SG 3.54Å; C301-C332 HydrophobicContact CB-CB 3.64Å; C301-C332 WeakPolarHBondContact CB-SG 3.22Å; C301-C332 WeakPolarHBondContact SG-CB 3.04Å; C301-C332 CovalentContact SG-SG 2.02Å; C301-C332 PolarHBondContact SG-SG 3.42Å; C301-R334 PolarHBondContact O-NH1 2.72Å; C301-R334 VanDerWaalsContact O-NH1 3.12Å
302	L	94.8	Very high	94.4	Very high	104 Å²	104	55.1 Å²	55.1	55%	0.545	30%	0.295	S	S	.	.	S	Bend	trans	-107	150	-178	-60.3	178.3	0	0	0	110.7	N304 S309 G311	L302-N304 PolarHBondContact O-N 3.36Å; L302-S309 WeakPolarHBondContact O-CB 3.25Å; L302-S309 PolarHBondContact O-OG 2.77Å; L302-G311 VanDerWaalsContact C-CA 3.47Å
303	R	93.9	Very high	94.3	Very high	175 Å²	175	61.7 Å²	61.7	66%	0.66	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.9	171.7	-177.4	171.4	168.4	160.1	-4.8	108.9	E305 S309 L310	R303-E305 IonicContact NH2-OE1 3.59Å; R303-E305 PolarHBondContact NH2-OE1 2.89Å; R303-S309 CarbonylContact C-O 3.57Å; R303-S309 WeakPolarHBondContact CA-O 3.4Å; R303-L310 WeakPolarHBondContact CB-O 3.44Å
304	N	93.4	Very high	94.1	Very high	68 Å²	68	61.6 Å²	61.6	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	108.5	-180	-179.6	-37.5	0	0	0	109.5	L302 T306 T307 G308 S309	L302-N304 PolarHBondContact O-N 3.36Å; N304-T306 VanDerWaalsContact C-N 3.32Å; N304-T306 PolarHBondContact O-N 2.96Å; N304-T306 WeakPolarHBondContact OD1-CB 3.37Å; N304-T306 PolarHBondContact OD1-N 2.57Å; N304-T307 WeakPolarHBondContact CB-OG1 3Å; N304-T307 PolarHBondContact O-N 3.22Å; N304-T307 PolarHBondContact O-OG1 3.14Å; N304-T307 PolarHBondContact OD1-N 3.33Å; N304-T307 VanDerWaalsContact OD1-N 3.11Å; N304-T307 PolarHBondContact OD1-OG1 3.42Å; N304-G308 CarbonylContact O-C 3.53Å; N304-G308 PolarHBondContact O-N 3.44Å; N304-S309 PolarHBondContact N-O 3.18Å; N304-S309 PolarHBondContact O-N 3.36Å
305	E	90.6	Very high	94	Very high	132 Å²	132	62.4 Å²	62.4	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.7	-175.1	-59.3	-169.7	160.4	0	0	112.8	R118 R303 G308	R118-E305 WeakPolarHBondContact CD-O 3.32Å; R303-E305 IonicContact NH2-OE1 3.59Å; R303-E305 PolarHBondContact NH2-OE1 2.89Å; E305-G308 PolarHBondContact O-N 2.86Å
306	T	89.6	Confident	93.9	Very high	116 Å²	116	66.9 Å²	66.9	71%	0.712	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-43.9	177.8	-52.8	0	0	0	0	111.5	N304	N304-T306 VanDerWaalsContact C-N 3.32Å; N304-T306 PolarHBondContact O-N 2.96Å; N304-T306 WeakPolarHBondContact OD1-CB 3.37Å; N304-T306 PolarHBondContact OD1-N 2.57Å
307	T	89	Confident	93.8	Very high	27 Å²	27	62.4 Å²	62.4	17%	0.166	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-16.3	178.4	62.3	0	0	0	0	113.3	V119 I122 P298 N304 S309	V119-T307 WeakPolarHBondContact CA-O 3.49Å; V119-T307 PolarHBondContact N-O 3.14Å; I122-T307 HydrophobicContact CD1-CG2 4.39Å; P298-T307 HydrophobicContact CB-CG2 3.88Å; N304-T307 WeakPolarHBondContact CB-OG1 3Å; N304-T307 PolarHBondContact O-N 3.22Å; N304-T307 PolarHBondContact O-OG1 3.14Å; N304-T307 PolarHBondContact OD1-N 3.33Å; N304-T307 VanDerWaalsContact OD1-N 3.11Å; N304-T307 PolarHBondContact OD1-OG1 3.42Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact OG1-N 2.89Å
308	G	88.1	Confident	93.8	Very high	21 Å²	21	63.8 Å²	63.8	22%	0.216	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	14	-171.3	0	0	0	0	0	114.1	N304 E305	N304-G308 CarbonylContact O-C 3.53Å; N304-G308 PolarHBondContact O-N 3.44Å; E305-G308 PolarHBondContact O-N 2.86Å
309	S	92.3	Very high	93.8	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.028	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.6	173.6	176.2	0	0	0	0	110.7	Y300 L302 R303 N304 T307 G311	Y300-S309 WeakPolarHBondContact CA-OG 3.46Å; L302-S309 WeakPolarHBondContact O-CB 3.25Å; L302-S309 PolarHBondContact O-OG 2.77Å; R303-S309 CarbonylContact C-O 3.57Å; R303-S309 WeakPolarHBondContact CA-O 3.4Å; N304-S309 PolarHBondContact N-O 3.18Å; N304-S309 PolarHBondContact O-N 3.36Å; T307-S309 VanDerWaalsContact C-N 3.33Å; T307-S309 PolarHBondContact OG1-N 2.89Å; S309-G311 PolarHBondContact OG-N 3Å
310	L	92.4	Very high	93.7	Very high	97 Å²	97	69.4 Å²	69.4	51%	0.508	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-15.7	173.9	-61	179.1	0	0	0	112.9	V110 R303	V110-L310 HydrophobicContact CG1-CD1 4.11Å; V110-L310 HydrophobicContact CG1-CD2 4.08Å; V110-L310 HydrophobicContact CG1-CG 4.35Å; R303-L310 WeakPolarHBondContact CB-O 3.44Å
311	G	94.5	Very high	93.7	Very high	14 Å²	14	70.1 Å²	70.1	14%	0.144	37%	0.367	C	S	.	.			trans	76.9	174	-171	0	0	0	0	0	113.4	Y300 C301 L302 S309	Y300-G311 WeakPolarHBondContact O-CA 3.43Å; C301-G311 WeakPolarHBondContact O-CA 3.48Å; L302-G311 VanDerWaalsContact C-CA 3.47Å; S309-G311 PolarHBondContact OG-N 3Å
312	T	96.4	Very high	93.6	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-108	3.3	-179.5	61.8	0	0	0	0	114.4	R104 C301 G314 R315 M330 R334 C371	R104-T312 HydrophobicContact CB-CG2 3.92Å; R104-T312 HydrophobicContact CG-CG2 3.95Å; C301-T312 PolarHBondContact O-N 3.39Å; C301-T312 PolarHBondContact O-OG1 3.32Å; T312-G314 PolarHBondContact O-N 3.03Å; T312-R315 VanDerWaalsContact O-CB 3.24Å; T312-R315 WeakPolarHBondContact O-CB 3.44Å; T312-R315 WeakPolarHBondContact O-CG 3.23Å; T312-R315 PolarHBondContact O-N 3.31Å; T312-M330 WeakPolarHBondContact CB-O 3.44Å; T312-M330 HydrophobicContact CG2-CE 3.61Å; T312-M330 WeakPolarHBondContact CG2-O 3.12Å; T312-M330 PolarHBondContact OG1-O 3.06Å; T312-R334 PolarHBondContact OG1-NH2 2.86Å; T312-C371 WeakPolarHBondContact O-CB 3.5Å
313	H	96	Very high	93.5	Very high	139 Å²	139	75.2 Å²	75.2	64%	0.644	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.3	174.9	-178.3	88.5	0	0	0	110.9	R315 K372	H313-R315 PolarHBondContact O-N 2.95Å; H313-K372 PolarHBondContact CE1-OXT 3.43Å; H313-K372 VanDerWaalsContact CE1-OXT 3.26Å; H313-K372 PolarHBondContact ND1-OXT 2.89Å
314	G	94.8	Very high	93.4	Very high	41 Å²	41	70.9 Å²	70.9	42%	0.423	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	14.7	-179.2	0	0	0	0	0	114.5	T312 L370 C371	T312-G314 PolarHBondContact O-N 3.03Å; G314-L370 WeakPolarHBondContact O-CD2 3.11Å; G314-C371 PolarHBondContact N-O 2.94Å
315	R	95.2	Very high	93.5	Very high	47 Å²	47	69 Å²	69	18%	0.177	37%	0.373	C	S	.	.			trans	-89	140	174.5	-72.6	-133.9	53.2	-140.7	-18.2	112.2	K101 R103 T312 H313 L370 C371	K101-R315 PolarHBondContact O-NH1 2.95Å; K101-R315 PolarHBondContact O-NH2 3.26Å; R103-R315 PolarHBondContact O-NH1 3.39Å; T312-R315 VanDerWaalsContact O-CB 3.24Å; T312-R315 WeakPolarHBondContact O-CB 3.44Å; T312-R315 WeakPolarHBondContact O-CG 3.23Å; T312-R315 PolarHBondContact O-N 3.31Å; H313-R315 PolarHBondContact O-N 2.95Å; R315-L370 WeakPolarHBondContact O-CA 3.48Å; R315-C371 PolarHBondContact O-N 3.37Å; R315-C371 PolarHBondContact O-SG 3.22Å
316	Y	95.1	Very high	93.8	Very high	130 Å²	130	62.8 Å²	62.8	51%	0.51	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.1	170.8	-69.1	-71.4	0	0	0	111.4	F339 Q368 F369 L370	Y316-F339 HydrophobicContact CE1-CZ 4.15Å; Y316-Q368 HydrophobicContact CE1-CB 4.27Å; Y316-Q368 HydrophobicContact CE1-CG 4.47Å; Y316-Q368 PolarHBondContact OH-OE1 3.48Å; Y316-F369 WeakPolarHBondContact CA-O 3.1Å; Y316-L370 HydrophobicContact CD1-CD2 3.49Å; Y316-L370 VanDerWaalsContact CD1-CD2 3.49Å; Y316-L370 HydrophobicContact CD1-CG 4.11Å; Y316-L370 HydrophobicContact CD2-CD2 4.17Å; Y316-L370 HydrophobicContact CE1-CD1 4.47Å; Y316-L370 HydrophobicContact CE1-CD2 3.54Å; Y316-L370 HydrophobicContact CE1-CG 3.95Å; Y316-L370 HydrophobicContact CE2-CD2 4.22Å; Y316-L370 HydrophobicContact CG-CD2 3.82Å
317	C	96	Very high	94.1	Very high	14 Å²	14	57.5 Å²	57.5	10%	0.095	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.8	173.6	67.8	0	0	0	0	111.4	D325 C327 M330 F369	C317-D325 CarbonylContact C-O 3.3Å; C317-D325 WeakPolarHBondContact CA-O 3.48Å; C317-C327 VanDerWaalsContact C-SG 3.5Å; C317-C327 HydrophobicContact CB-CB 3.8Å; C317-C327 WeakPolarHBondContact CB-SG 3.06Å; C317-C327 WeakPolarHBondContact SG-CA 3.06Å; C317-C327 WeakPolarHBondContact SG-CB 3.5Å; C317-C327 CovalentContact SG-SG 2.04Å; C317-C327 PolarHBondContact SG-SG 2.86Å; C317-M330 HydrophobicContact CB-CB 3.91Å; C317-M330 HydrophobicContact CB-CG 3.94Å; C317-F369 PolarHBondContact N-O 3.12Å; C317-F369 VanDerWaalsContact SG-CB 3.59Å
318	N	95.8	Very high	94.4	Very high	61 Å²	61	64 Å²	64	33%	0.326	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-106.3	114.2	179.9	-173.5	-7.3	0	0	0	109.9	T320 S321 D325 G326 C327	N318-T320 VanDerWaalsContact C-N 3.28Å; N318-T320 PolarHBondContact O-N 2.82Å; N318-T320 PolarHBondContact OD1-N 3.48Å; N318-T320 PolarHBondContact OD1-OG1 3.03Å; N318-S321 PolarHBondContact O-N 3.31Å; N318-D325 WeakPolarHBondContact CB-OD2 3.31Å; N318-D325 PolarHBondContact N-O 3.39Å; N318-D325 PolarHBondContact ND2-OD2 3.14Å; N318-G326 VanDerWaalsContact O-CA 3.25Å; N318-G326 WeakPolarHBondContact O-CA 3.42Å; N318-C327 VanDerWaalsContact C-SG 3.57Å; N318-C327 PolarHBondContact O-N 2.03Å; N318-C327 VanDerWaalsContact O-N 3.09Å
319	K	94.8	Very high	94.8	Very high	111 Å²	111	66.2 Å²	66.2	48%	0.483	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29	-178	-179.1	175.7	177.4	-178.2	0	113.1	Y336 F369	K319-Y336 HydrophobicContact CD-CE2 4.32Å; K319-Y336 WeakPolarHBondContact CD-OH 3.49Å; K319-Y336 WeakPolarHBondContact CE-OH 3.06Å; K319-F369 HydrophobicContact CB-CD1 4.35Å; K319-F369 HydrophobicContact CB-CD2 3.8Å; K319-F369 HydrophobicContact CB-CE1 4.13Å; K319-F369 HydrophobicContact CB-CE2 3.58Å; K319-F369 HydrophobicContact CB-CG 4.19Å; K319-F369 HydrophobicContact CB-CZ 3.76Å; K319-F369 HydrophobicContact CD-CD1 4.36Å; K319-F369 HydrophobicContact CD-CE1 3.59Å; K319-F369 HydrophobicContact CD-CE2 4.3Å; K319-F369 HydrophobicContact CD-CZ 3.57Å; K319-F369 HydrophobicContact CG-CE1 4.46Å; K319-F369 HydrophobicContact CG-CZ 4.3Å
320	T	94.1	Very high	95	Very high	127 Å²	127	66 Å²	66	78%	0.779	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.4	-176.5	61.4	0	0	0	0	113.4	N318	N318-T320 VanDerWaalsContact C-N 3.28Å; N318-T320 PolarHBondContact O-N 2.82Å; N318-T320 PolarHBondContact OD1-N 3.48Å; N318-T320 PolarHBondContact OD1-OG1 3.03Å
321	S	95.6	Very high	95.2	Very high	32 Å²	32	61.4 Å²	61.4	22%	0.224	32%	0.322	C	S	.	.			trans	-89.8	133.6	179.7	-175.6	0	0	0	0	110.7	N318 G323 D325 G326	N318-S321 PolarHBondContact O-N 3.31Å; S321-G323 VanDerWaalsContact C-N 3.31Å; S321-G323 PolarHBondContact OG-N 2.85Å; S321-D325 WeakPolarHBondContact CB-OD1 3.49Å; S321-D325 WeakPolarHBondContact CB-OD2 3.46Å; S321-D325 PolarHBondContact OG-OD1 3.2Å; S321-D325 PolarHBondContact OG-OD2 3.46Å; S321-G326 WeakPolarHBondContact O-CA 3.45Å
322	E	93.3	Very high	95.3	Very high	192 Å²	192	62.5 Å²	62.5	90%	0.897	33%	0.327	S	S	*	.			trans	-87.7	-5.7	167.6	-60.7	-178.2	172.1	0	0	111.9
323	G	92.8	Very high	95.2	Very high	32 Å²	32	65.8 Å²	65.8	33%	0.33	36%	0.361	S	S	.	.	S	Bend	trans	-78.7	-172.7	178.4	0	0	0	0	0	113.4	S321 D325 G326	S321-G323 VanDerWaalsContact C-N 3.31Å; S321-G323 PolarHBondContact OG-N 2.85Å; G323-D325 PolarHBondContact O-N 2.9Å; G323-G326 VanDerWaalsContact O-CA 3.3Å; G323-G326 WeakPolarHBondContact O-CA 3.48Å; G323-G326 PolarHBondContact O-N 3.32Å
324	M	92.6	Very high	95.1	Very high	83 Å²	83	62.7 Å²	62.7	41%	0.409	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.2	-178.2	-80.4	169.2	-77.1	0	0	115	Q102 R103 L329	Q102-M324 CarbonylContact O-C 3.56Å; R103-M324 WeakPolarHBondContact CD-SD 3.3Å; R103-M324 VanDerWaalsContact NE-CE 3.34Å; R103-M324 PolarHBondContact NE-SD 3.09Å; R103-M324 PolarHBondContact NH1-SD 2.78Å; M324-L329 HydrophobicContact CG-CD1 4.42Å
325	D	94.4	Very high	95.2	Very high	29 Å²	29	62.1 Å²	62.1	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.6	168.7	67.1	-45.8	0	0	0	112.5	Q102 C317 N318 S321 G323	Q102-D325 HydrophobicContact CB-CB 3.86Å; Q102-D325 HydrophobicContact CG-CB 3.68Å; C317-D325 CarbonylContact C-O 3.3Å; C317-D325 WeakPolarHBondContact CA-O 3.48Å; N318-D325 WeakPolarHBondContact CB-OD2 3.31Å; N318-D325 PolarHBondContact N-O 3.39Å; N318-D325 PolarHBondContact ND2-OD2 3.14Å; S321-D325 WeakPolarHBondContact CB-OD1 3.49Å; S321-D325 WeakPolarHBondContact CB-OD2 3.46Å; S321-D325 PolarHBondContact OG-OD1 3.2Å; S321-D325 PolarHBondContact OG-OD2 3.46Å; G323-D325 PolarHBondContact O-N 2.9Å
326	G	96.9	Very high	95.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.01	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-57.6	139.7	176.4	0	0	0	0	0	112.8	N318 S321 G323 E328 L329 M330	N318-G326 VanDerWaalsContact O-CA 3.25Å; N318-G326 WeakPolarHBondContact O-CA 3.42Å; S321-G326 WeakPolarHBondContact O-CA 3.45Å; G323-G326 VanDerWaalsContact O-CA 3.3Å; G323-G326 WeakPolarHBondContact O-CA 3.48Å; G323-G326 PolarHBondContact O-N 3.32Å; G326-E328 PolarHBondContact O-N 2.82Å; G326-L329 PolarHBondContact O-N 3.49Å; G326-M330 WeakPolarHBondContact O-CB 3.23Å; G326-M330 PolarHBondContact O-N 2.92Å
327	C	96.6	Very high	95.3	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-31.2	-177.9	-67.9	0	0	0	0	114.1	C317 N318 C331 Y336	C317-C327 VanDerWaalsContact C-SG 3.5Å; C317-C327 HydrophobicContact CB-CB 3.8Å; C317-C327 WeakPolarHBondContact CB-SG 3.06Å; C317-C327 WeakPolarHBondContact SG-CA 3.06Å; C317-C327 WeakPolarHBondContact SG-CB 3.5Å; C317-C327 CovalentContact SG-SG 2.04Å; C317-C327 PolarHBondContact SG-SG 2.86Å; N318-C327 VanDerWaalsContact C-SG 3.57Å; N318-C327 PolarHBondContact O-N 2.03Å; N318-C327 VanDerWaalsContact O-N 3.09Å; C327-C331 WeakPolarHBondContact O-CB 3.44Å; C327-C331 PolarHBondContact O-N 3.2Å; C327-C331 VanDerWaalsContact O-N 3.1Å; C327-C331 PolarHBondContact O-SG 2.71Å; C327-Y336 HydrophobicContact CB-CD1 3.39Å; C327-Y336 HydrophobicContact CB-CE1 3.52Å; C327-Y336 HydrophobicContact CB-CG 4.1Å
328	E	95	Very high	95.3	Very high	163 Å²	163	65.6 Å²	65.6	76%	0.762	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-49.2	175.2	-174.4	174.3	-177.6	0	0	111.8	G326 C332 G333	G326-E328 PolarHBondContact O-N 2.82Å; E328-C332 PolarHBondContact O-N 2.95Å; E328-G333 PolarHBondContact O-N 2.03Å
329	L	95.5	Very high	95.2	Very high	67 Å²	67	66.3 Å²	66.3	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-80.1	-41.4	-177.8	-64.4	-175.9	0	0	0	112.7	R104 M324 G326 C332	R104-L329 VanDerWaalsContact CZ-O 3.23Å; R104-L329 PolarHBondContact NE-O 3.14Å; R104-L329 PolarHBondContact NH2-O 3.33Å; M324-L329 HydrophobicContact CG-CD1 4.42Å; G326-L329 PolarHBondContact O-N 3.49Å; L329-C332 PolarHBondContact O-N 3.13Å
330	M	96.4	Very high	95.3	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-42.4	-179.3	-174.5	78.1	-79.6	0	0	111.2	R104 T312 C317 G326 C332	R104-M330 HydrophobicContact CB-CE 3.96Å; R104-M330 HydrophobicContact CG-CE 3.54Å; T312-M330 WeakPolarHBondContact CB-O 3.44Å; T312-M330 HydrophobicContact CG2-CE 3.61Å; T312-M330 WeakPolarHBondContact CG2-O 3.12Å; T312-M330 PolarHBondContact OG1-O 3.06Å; C317-M330 HydrophobicContact CB-CB 3.91Å; C317-M330 HydrophobicContact CB-CG 3.94Å; G326-M330 WeakPolarHBondContact O-CB 3.23Å; G326-M330 PolarHBondContact O-N 2.92Å; M330-C332 VanDerWaalsContact C-N 3.33Å
331	C	97.1	Very high	95.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.8	-177.1	-47.5	0	0	0	0	113.5	C327 G333 R334 G335 C371	C327-C331 WeakPolarHBondContact O-CB 3.44Å; C327-C331 PolarHBondContact O-N 3.2Å; C327-C331 VanDerWaalsContact O-N 3.1Å; C327-C331 PolarHBondContact O-SG 2.71Å; C331-G333 VanDerWaalsContact C-N 3.25Å; C331-G333 PolarHBondContact O-N 3.17Å; C331-R334 WeakPolarHBondContact O-CB 3.48Å; C331-R334 PolarHBondContact O-N 3.44Å; C331-G335 WeakPolarHBondContact CB-O 3.41Å; C331-C371 WeakPolarHBondContact CA-SG 3.34Å; C331-C371 HydrophobicContact CB-CB 3.56Å; C331-C371 WeakPolarHBondContact CB-SG 3.43Å; C331-C371 PolarHBondContact N-SG 3.38Å; C331-C371 VanDerWaalsContact N-SG 3.44Å; C331-C371 WeakPolarHBondContact SG-CA 3.1Å; C331-C371 WeakPolarHBondContact SG-CB 3.32Å; C331-C371 CovalentContact SG-SG 2.04Å; C331-C371 PolarHBondContact SG-SG 2.88Å
332	C	96.1	Very high	95.2	Very high	36 Å²	36	69.4 Å²	69.4	24%	0.243	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.9	174.9	-50.2	0	0	0	0	113.1	R104 C301 E328 L329 M330 R334	R104-C332 PolarHBondContact NE-SG 3.06Å; C301-C332 VanDerWaalsContact CA-SG 3.54Å; C301-C332 HydrophobicContact CB-CB 3.64Å; C301-C332 WeakPolarHBondContact CB-SG 3.22Å; C301-C332 WeakPolarHBondContact SG-CB 3.04Å; C301-C332 CovalentContact SG-SG 2.02Å; C301-C332 PolarHBondContact SG-SG 3.42Å; E328-C332 PolarHBondContact O-N 2.95Å; L329-C332 PolarHBondContact O-N 3.13Å; M330-C332 VanDerWaalsContact C-N 3.33Å; C332-R334 PolarHBondContact O-N 2.84Å
333	G	94.5	Very high	95.2	Very high	69 Å²	69	65.2 Å²	65.2	71%	0.711	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-0.3	-179.8	0	0	0	0	0	116.3	E328 C331 G335	E328-G333 PolarHBondContact O-N 2.03Å; C331-G333 VanDerWaalsContact C-N 3.25Å; C331-G333 PolarHBondContact O-N 3.17Å; G333-G335 PolarHBondContact O-N 3.44Å
334	R	95.6	Very high	95.3	Very high	75 Å²	75	68.1 Å²	68.1	28%	0.283	34%	0.342	S	S	.	.	S	Bend	trans	-74.6	-6.4	179.1	-59	-169	-56.7	-85.5	-5.2	114.3	C301 T312 C331 C332 K372	C301-R334 PolarHBondContact O-NH1 2.72Å; C301-R334 VanDerWaalsContact O-NH1 3.12Å; T312-R334 PolarHBondContact OG1-NH2 2.86Å; C331-R334 WeakPolarHBondContact O-CB 3.48Å; C331-R334 PolarHBondContact O-N 3.44Å; C332-R334 PolarHBondContact O-N 2.84Å; R334-K372 PolarHBondContact NE-O 2.69Å; R334-K372 PolarHBondContact NH2-O 3.15Å
335	G	95.4	Very high	95.4	Very high	29 Å²	29	68.1 Å²	68.1	30%	0.299	34%	0.341	S	S	.	.			trans	79.2	-175.4	-171.7	0	0	0	0	0	112.9	C331 G333 K372	C331-G335 WeakPolarHBondContact CB-O 3.41Å; G333-G335 PolarHBondContact O-N 3.44Å; G335-K372 PolarHBondContact O-N 2.94Å; G335-K372 VanDerWaalsContact O-N 3.16Å
336	Y	96.9	Very high	95.5	Very high	77 Å²	77	75.9 Å²	75.9	30%	0.302	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152	-175.7	51	-91.3	0	0	0	111	K319 C327 F369 L370	K319-Y336 HydrophobicContact CD-CE2 4.32Å; K319-Y336 WeakPolarHBondContact CD-OH 3.49Å; K319-Y336 WeakPolarHBondContact CE-OH 3.06Å; C327-Y336 HydrophobicContact CB-CD1 3.39Å; C327-Y336 HydrophobicContact CB-CE1 3.52Å; C327-Y336 HydrophobicContact CB-CG 4.1Å; Y336-F369 HydrophobicContact CD2-CB 3.98Å; Y336-F369 AromaticContact CD2-CD1 3.53Å; Y336-F369 HydrophobicContact CD2-CD1 3.53Å; Y336-F369 HydrophobicContact CD2-CE1 4.46Å; Y336-F369 HydrophobicContact CD2-CG 4.14Å; Y336-F369 AromaticContact CE2-CD1 3.46Å; Y336-F369 HydrophobicContact CE2-CD1 3.46Å; Y336-F369 VanDerWaalsContact CE2-CD1 3.46Å; Y336-F369 AromaticContact CE2-CE1 3.99Å; Y336-F369 HydrophobicContact CE2-CE1 3.99Å; Y336-F369 HydrophobicContact CE2-CG 4.28Å; Y336-F369 HydrophobicContact CG-CB 4.44Å; Y336-L370 CarbonylContact C-O 3.41Å; Y336-L370 WeakPolarHBondContact CA-O 3.39Å; Y336-L370 VanDerWaalsContact CB-O 3.23Å; Y336-L370 WeakPolarHBondContact CB-O 3.4Å
337	D	96.4	Very high	95.4	Very high	85 Å²	85	76.7 Å²	76.7	46%	0.455	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.1	169	-67.3	-43.7	0	0	0	110	F369 L370 K372	D337-F369 CarbonylContact O-C 3.59Å; D337-F369 VanDerWaalsContact O-CA 3.28Å; D337-F369 WeakPolarHBondContact O-CA 3.24Å; D337-L370 PolarHBondContact N-O 2.63Å; D337-L370 PolarHBondContact O-N 2.88Å; D337-K372 WeakPolarHBondContact OD1-CE 3.06Å; D337-K372 IonicContact OD1-NZ 3.31Å
338	Q	95.4	Very high	95.4	Very high	102 Å²	102	83 Å²	83	48%	0.477	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.1	175.9	178.9	-180	-16.5	0	0	109.6	D367 Q368 F369	Q338-D367 VanDerWaalsContact NE2-CG 3.28Å; Q338-D367 PolarHBondContact NE2-OD1 3.29Å; Q338-Q368 WeakPolarHBondContact CA-O 3.43Å; Q338-F369 HydrophobicContact CB-CD1 3.91Å; Q338-F369 HydrophobicContact CB-CE1 3.94Å; Q338-F369 HydrophobicContact CG-CD1 3.99Å; Q338-F369 HydrophobicContact CG-CE1 3.6Å; Q338-F369 HydrophobicContact CG-CZ 4.38Å
339	F	94.5	Very high	95.4	Very high	75 Å²	75	78.4 Å²	78.4	33%	0.329	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.2	170.1	60.7	-81	0	0	0	110.3	Y316 Q368 L370	Y316-F339 HydrophobicContact CE1-CZ 4.15Å; F339-Q368 HydrophobicContact CD2-CB 4.5Å; F339-Q368 HydrophobicContact CE1-CB 4.13Å; F339-Q368 HydrophobicContact CE2-CB 3.95Å; F339-Q368 HydrophobicContact CZ-CB 3.75Å; F339-Q368 PolarHBondContact N-O 2.88Å; F339-Q368 PolarHBondContact O-N 2.89Å; F339-L370 HydrophobicContact CD1-CD1 4.49Å; F339-L370 HydrophobicContact CE1-CB 4.35Å; F339-L370 HydrophobicContact CE1-CD1 3.4Å; F339-L370 VanDerWaalsContact CE1-CD1 3.4Å; F339-L370 HydrophobicContact CE1-CG 3.66Å; F339-L370 HydrophobicContact CZ-CD1 3.79Å; F339-L370 HydrophobicContact CZ-CG 4.16Å
340	K	95.3	Very high	95.4	Very high	138 Å²	138	82.3 Å²	82.3	60%	0.6	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	135.3	176	-67.2	-172.3	178.3	-173.4	0	109.7	L365 V366 D367	K340-L365 HydrophobicContact CB-CD1 3.88Å; K340-L365 HydrophobicContact CB-CG 4.17Å; K340-L365 HydrophobicContact CD-CD2 3.85Å; K340-L365 HydrophobicContact CD-CG 4.19Å; K340-V366 WeakPolarHBondContact CA-O 3.28Å; K340-D367 WeakPolarHBondContact CE-OD1 3.05Å; K340-D367 VanDerWaalsContact CG-OD1 3.31Å; K340-D367 WeakPolarHBondContact CG-OD1 3.35Å
341	T	94	Very high	95.4	Very high	45 Å²	45	88.7 Å²	88.7	28%	0.276	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.4	173.5	-168.5	0	0	0	0	111.4	K343 V366 Q368	T341-K343 PolarHBondContact O-N 3.48Å; T341-V366 HydrophobicContact CG2-CG2 3.94Å; T341-V366 PolarHBondContact N-O 2.93Å; T341-V366 PolarHBondContact O-N 3.31Å; T341-Q368 HydrophobicContact CG2-CB 4.46Å; T341-Q368 HydrophobicContact CG2-CG 3.69Å
342	Y	95.1	Very high	95.2	Very high	152 Å²	152	91.9 Å²	91.9	60%	0.596	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.6	175.3	-69.7	-68.8	0	0	0	109.5	T363 L365	Y342-T363 HydrophobicContact CD1-CG2 3.45Å; Y342-T363 VanDerWaalsContact CD1-CG2 3.45Å; Y342-T363 HydrophobicContact CE1-CG2 4.34Å; Y342-T363 HydrophobicContact CG-CG2 3.92Å; Y342-L365 HydrophobicContact CD1-CD1 3.9Å; Y342-L365 HydrophobicContact CE1-CB 4.44Å; Y342-L365 HydrophobicContact CE1-CD1 3.76Å; Y342-L365 HydrophobicContact CE2-CD1 4.48Å; Y342-L365 HydrophobicContact CG-CD1 4.37Å
343	K	93.4	Very high	94.9	Very high	104 Å²	104	101.4 Å²	101.4	45%	0.452	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.6	169	-173.8	-176.2	176.7	-156.5	0	108.6	T341 E345 T363 T364 V366	T341-K343 PolarHBondContact O-N 3.48Å; K343-E345 IonicContact NZ-OE2 2.77Å; K343-E345 PolarHBondContact NZ-OE2 2.03Å; K343-T363 WeakPolarHBondContact O-CA 3.44Å; K343-T364 PolarHBondContact N-O 2.9Å; K343-T364 PolarHBondContact O-N 2.77Å; K343-T364 PolarHBondContact O-OG1 3.22Å; K343-V366 HydrophobicContact CB-CG1 4.19Å; K343-V366 HydrophobicContact CB-CG2 3.85Å
344	H	94.8	Very high	94.5	Very high	93 Å²	93	102.1 Å²	102.1	43%	0.431	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.9	174.5	-57.7	-68.2	0	0	0	110.1	R361 C362 T363	H344-R361 HydrophobicContact CB-CG 4.43Å; H344-R361 PolarHBondContact CD2-NH2 3.3Å; H344-R361 VanDerWaalsContact CG-NH2 3.3Å; H344-R361 PolarHBondContact NE2-NH2 2.92Å; H344-C362 WeakPolarHBondContact CA-O 3.46Å; H344-T363 PolarHBondContact CE1-OG1 2.03Å; H344-T363 PolarHBondContact ND1-OG1 2.96Å
345	E	94.5	Very high	94.3	Very high	83 Å²	83	104 Å²	104	39%	0.388	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.1	176.5	64.1	-169.9	-172.3	0	0	111.5	K343 C347 C362	K343-E345 IonicContact NZ-OE2 2.77Å; K343-E345 PolarHBondContact NZ-OE2 2.03Å; E345-C347 PolarHBondContact O-N 2.91Å; E345-C362 HydrophobicContact CG-CB 4.46Å; E345-C362 PolarHBondContact N-O 3.45Å; E345-C362 PolarHBondContact O-N 3.45Å
346	R	95.3	Very high	94.1	Very high	193 Å²	193	108.5 Å²	108.5	73%	0.728	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	118.8	174.1	-61.3	-176.2	92.9	167.9	4.2	107.5	C359 R360	R346-C359 HydrophobicContact CB-CB 3.84Å; R346-C359 HydrophobicContact CG-CB 4.47Å; R346-R360 WeakPolarHBondContact CA-O 3.05Å
347	C	95.6	Very high	94.1	Very high	18 Å²	18	108.5 Å²	108.5	12%	0.122	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	167.1	-175.9	64.3	0	0	0	0	110.3	E345 C349 R360 C362	E345-C347 PolarHBondContact O-N 2.91Å; C347-C349 PolarHBondContact O-N 3.47Å; C347-C349 VanDerWaalsContact O-N 3.12Å; C347-R360 PolarHBondContact N-O 2.83Å; C347-R360 PolarHBondContact O-N 2.79Å; C347-R360 PolarHBondContact SG-O 3.35Å; C347-C362 HydrophobicContact CB-CB 3.62Å; C347-C362 WeakPolarHBondContact CB-SG 3.44Å; C347-C362 WeakPolarHBondContact SG-CB 3.11Å; C347-C362 PolarHBondContact SG-N 3.4Å; C347-C362 CovalentContact SG-SG 2Å; C347-C362 PolarHBondContact SG-SG 3.33Å
348	H	96	Very high	94.1	Very high	137 Å²	137	111.1 Å²	111.1	63%	0.634	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.7	43.4	178.6	-56.1	-66.6	0	0	0	112.6	K350	H348-K350 PolarHBondContact O-N 2.85Å
349	C	96.3	Very high	94.2	Very high	67 Å²	67	107.7 Å²	107.7	45%	0.453	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.9	-179.2	-65.8	0	0	0	0	110.3	C347 V357 K358 C359	C347-C349 PolarHBondContact O-N 3.47Å; C347-C349 VanDerWaalsContact O-N 3.12Å; C349-V357 HydrophobicContact CB-CG1 3.74Å; C349-K358 WeakPolarHBondContact CA-O 3.3Å; C349-C359 HydrophobicContact CB-CB 4.09Å; C349-C359 WeakPolarHBondContact CB-SG 3.31Å; C349-C359 WeakPolarHBondContact SG-CB 3.32Å; C349-C359 CovalentContact SG-SG 2.04Å; C349-C359 PolarHBondContact SG-SG 3.2Å
350	K	95.4	Very high	94.3	Very high	150 Å²	150	112.9 Å²	112.9	65%	0.652	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.6	173.5	-64.9	-171.9	178.6	-171.7	0	109.4	H348 K358	H348-K350 PolarHBondContact O-N 2.85Å; K350-K358 PolarHBondContact N-O 3.26Å; K350-K358 PolarHBondContact O-N 3.28Å
351	F	95.7	Very high	94.3	Very high	134 Å²	134	115.2 Å²	115.2	59%	0.588	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.2	169.8	-179.6	-108.2	0	0	0	109	W353 V357	F351-W353 HydrophobicContact CE1-CB 4.39Å; F351-V357 HydrophobicContact CD2-CG2 3.98Å
352	H	93.6	Very high	94.4	Very high	67 Å²	67	114.7 Å²	114.7	31%	0.31	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.1	169.7	-69.2	-93.3	0	0	0	107.3	C354 C355 Y356	H352-C354 CarbonylContact O-C 3.41Å; H352-C354 PolarHBondContact O-N 3.2Å; H352-C355 PolarHBondContact O-N 3.17Å; H352-Y356 HydrophobicContact CB-CD1 4.47Å; H352-Y356 HydrophobicContact CB-CD2 4.09Å; H352-Y356 HydrophobicContact CB-CE1 4.14Å; H352-Y356 HydrophobicContact CB-CE2 3.67Å; H352-Y356 HydrophobicContact CB-CG 4.45Å; H352-Y356 AromaticContact CD2-CE2 3.41Å; H352-Y356 VanDerWaalsContact CD2-CE2 3.41Å; H352-Y356 WeakPolarHBondContact CD2-CE2 3.43Å; H352-Y356 AromaticContact CG-CE2 3.55Å; H352-Y356 AromaticContact CG-CZ 3.8Å; H352-Y356 PolarHBondContact N-O 3.37Å; H352-Y356 PolarHBondContact O-N 2.79Å
353	W	88.3	Confident	94.5	Very high	236 Å²	236	110.9 Å²	110.9	89%	0.894	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.3	-170.1	-170.1	81.8	0	0	0	114.7	F351 C355	F351-W353 HydrophobicContact CE1-CB 4.39Å; W353-C355 PolarHBondContact O-N 3.18Å
354	C	86.2	Confident	94.6	Very high	85 Å²	85	108.5 Å²	108.5	57%	0.574	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	31.1	165.2	58.1	0	0	0	0	113.9	H352 Y356	H352-C354 CarbonylContact O-C 3.41Å; H352-C354 PolarHBondContact O-N 3.2Å; C354-Y356 WeakPolarHBondContact SG-CE1 3.41Å
355	C	91.6	Very high	94.7	Very high	115 Å²	115	108.5 Å²	108.5	78%	0.777	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	25.2	166.9	-49.1	0	0	0	0	118	H352 W353	H352-C355 PolarHBondContact O-N 3.17Å; W353-C355 PolarHBondContact O-N 3.18Å
356	Y	92.9	Very high	94.7	Very high	123 Å²	123	106.6 Å²	106.6	48%	0.482	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.3	171.7	67.1	-97.8	0	0	0	113.2	H352 C354 K358	H352-Y356 HydrophobicContact CB-CD1 4.47Å; H352-Y356 HydrophobicContact CB-CD2 4.09Å; H352-Y356 HydrophobicContact CB-CE1 4.14Å; H352-Y356 HydrophobicContact CB-CE2 3.67Å; H352-Y356 HydrophobicContact CB-CG 4.45Å; H352-Y356 AromaticContact CD2-CE2 3.41Å; H352-Y356 VanDerWaalsContact CD2-CE2 3.41Å; H352-Y356 WeakPolarHBondContact CD2-CE2 3.43Å; H352-Y356 AromaticContact CG-CE2 3.55Å; H352-Y356 AromaticContact CG-CZ 3.8Å; H352-Y356 PolarHBondContact N-O 3.37Å; H352-Y356 PolarHBondContact O-N 2.79Å; C354-Y356 WeakPolarHBondContact SG-CE1 3.41Å; Y356-K358 HydrophobicContact CD2-CB 4.41Å; Y356-K358 HydrophobicContact CE2-CB 4.23Å
357	V	95.8	Very high	94.6	Very high	77 Å²	77	101 Å²	101	47%	0.467	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.8	173.8	-178.4	0	0	0	0	108.6	C349 F351	C349-V357 HydrophobicContact CB-CG1 3.74Å; F351-V357 HydrophobicContact CD2-CG2 3.98Å
358	K	96	Very high	94.6	Very high	140 Å²	140	102.7 Å²	102.7	61%	0.609	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.6	172.7	-168.2	172.9	-177.4	174.2	0	108.9	C349 K350 Y356	C349-K358 WeakPolarHBondContact CA-O 3.3Å; K350-K358 PolarHBondContact N-O 3.26Å; K350-K358 PolarHBondContact O-N 3.28Å; Y356-K358 HydrophobicContact CD2-CB 4.41Å; Y356-K358 HydrophobicContact CE2-CB 4.23Å
359	C	97.3	Very high	94.6	Very high	30 Å²	30	97.3 Å²	97.3	20%	0.203	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.6	174.7	-53.1	0	0	0	0	110.5	R346 C349	R346-C359 HydrophobicContact CB-CB 3.84Å; R346-C359 HydrophobicContact CG-CB 4.47Å; C349-C359 HydrophobicContact CB-CB 4.09Å; C349-C359 WeakPolarHBondContact CB-SG 3.31Å; C349-C359 WeakPolarHBondContact SG-CB 3.32Å; C349-C359 CovalentContact SG-SG 2.04Å; C349-C359 PolarHBondContact SG-SG 3.2Å
360	R	96.8	Very high	94.6	Very high	184 Å²	184	96 Å²	96	69%	0.694	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	155.7	163.8	-64.6	-178.6	179.7	-179.6	-1.9	109	R346 C347	R346-R360 WeakPolarHBondContact CA-O 3.05Å; C347-R360 PolarHBondContact N-O 2.83Å; C347-R360 PolarHBondContact O-N 2.79Å; C347-R360 PolarHBondContact SG-O 3.35Å
361	R	96.3	Very high	94.7	Very high	186 Å²	186	89 Å²	89	70%	0.702	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	110	169.4	-175	173.8	174.2	164	-4.1	107.5	H344	H344-R361 HydrophobicContact CB-CG 4.43Å; H344-R361 PolarHBondContact CD2-NH2 3.3Å; H344-R361 VanDerWaalsContact CG-NH2 3.3Å; H344-R361 PolarHBondContact NE2-NH2 2.92Å
362	C	96.4	Very high	94.7	Very high	34 Å²	34	88 Å²	88	23%	0.23	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.5	170.9	-76.1	0	0	0	0	109.4	H344 E345 C347	H344-C362 WeakPolarHBondContact CA-O 3.46Å; E345-C362 HydrophobicContact CG-CB 4.46Å; E345-C362 PolarHBondContact N-O 3.45Å; E345-C362 PolarHBondContact O-N 3.45Å; C347-C362 HydrophobicContact CB-CB 3.62Å; C347-C362 WeakPolarHBondContact CB-SG 3.44Å; C347-C362 WeakPolarHBondContact SG-CB 3.11Å; C347-C362 PolarHBondContact SG-N 3.4Å; C347-C362 CovalentContact SG-SG 2Å; C347-C362 PolarHBondContact SG-SG 3.33Å
363	T	96.3	Very high	94.8	Very high	73 Å²	73	89.1 Å²	89.1	45%	0.448	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.8	176.2	-58.5	0	0	0	0	107.3	Y342 K343 H344	Y342-T363 HydrophobicContact CD1-CG2 3.45Å; Y342-T363 VanDerWaalsContact CD1-CG2 3.45Å; Y342-T363 HydrophobicContact CE1-CG2 4.34Å; Y342-T363 HydrophobicContact CG-CG2 3.92Å; K343-T363 WeakPolarHBondContact O-CA 3.44Å; H344-T363 PolarHBondContact CE1-OG1 2.03Å; H344-T363 PolarHBondContact ND1-OG1 2.96Å
364	T	95.8	Very high	95.1	Very high	53 Å²	53	81.3 Å²	81.3	33%	0.325	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134	176.9	50.3	0	0	0	0	108.8	K343 V366	K343-T364 PolarHBondContact N-O 2.9Å; K343-T364 PolarHBondContact O-N 2.77Å; K343-T364 PolarHBondContact O-OG1 3.22Å; T364-V366 PolarHBondContact O-N 3.44Å
365	L	95.9	Very high	95.6	Very high	93 Å²	93	81.1 Å²	81.1	49%	0.487	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.9	173.6	-170	67.3	0	0	0	107.6	K340 Y342	K340-L365 HydrophobicContact CB-CD1 3.88Å; K340-L365 HydrophobicContact CB-CG 4.17Å; K340-L365 HydrophobicContact CD-CD2 3.85Å; K340-L365 HydrophobicContact CD-CG 4.19Å; Y342-L365 HydrophobicContact CD1-CD1 3.9Å; Y342-L365 HydrophobicContact CE1-CB 4.44Å; Y342-L365 HydrophobicContact CE1-CD1 3.76Å; Y342-L365 HydrophobicContact CE2-CD1 4.48Å; Y342-L365 HydrophobicContact CG-CD1 4.37Å
366	V	94.6	Very high	95.8	Very high	43 Å²	43	79.1 Å²	79.1	26%	0.261	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.9	-178.4	-61.2	0	0	0	0	110.4	K340 T341 K343 T364 Q368	K340-V366 WeakPolarHBondContact CA-O 3.28Å; T341-V366 HydrophobicContact CG2-CG2 3.94Å; T341-V366 PolarHBondContact N-O 2.93Å; T341-V366 PolarHBondContact O-N 3.31Å; K343-V366 HydrophobicContact CB-CG1 4.19Å; K343-V366 HydrophobicContact CB-CG2 3.85Å; T364-V366 PolarHBondContact O-N 3.44Å; V366-Q368 HydrophobicContact CG2-CG 4.44Å
367	D	94.6	Very high	96	Very high	76 Å²	76	76.4 Å²	76.4	41%	0.406	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130	168.5	-67.9	-57.7	0	0	0	109.3	Q338 K340 F369	Q338-D367 VanDerWaalsContact NE2-CG 3.28Å; Q338-D367 PolarHBondContact NE2-OD1 3.29Å; K340-D367 WeakPolarHBondContact CE-OD1 3.05Å; K340-D367 VanDerWaalsContact CG-OD1 3.31Å; K340-D367 WeakPolarHBondContact CG-OD1 3.35Å; D367-F369 HydrophobicContact CB-CE2 4.13Å; D367-F369 HydrophobicContact CB-CZ 3.88Å
368	Q	95	Very high	96	Very high	53 Å²	53	76.3 Å²	76.3	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.2	171	-75.4	-170.8	0.5	0	0	110.4	Y316 Q338 F339 T341 V366	Y316-Q368 HydrophobicContact CE1-CB 4.27Å; Y316-Q368 HydrophobicContact CE1-CG 4.47Å; Y316-Q368 PolarHBondContact OH-OE1 3.48Å; Q338-Q368 WeakPolarHBondContact CA-O 3.43Å; F339-Q368 HydrophobicContact CD2-CB 4.5Å; F339-Q368 HydrophobicContact CE1-CB 4.13Å; F339-Q368 HydrophobicContact CE2-CB 3.95Å; F339-Q368 HydrophobicContact CZ-CB 3.75Å; F339-Q368 PolarHBondContact N-O 2.88Å; F339-Q368 PolarHBondContact O-N 2.89Å; T341-Q368 HydrophobicContact CG2-CB 4.46Å; T341-Q368 HydrophobicContact CG2-CG 3.69Å; V366-Q368 HydrophobicContact CG2-CG 4.44Å
369	F	96.6	Very high	96	Very high	25 Å²	25	71.8 Å²	71.8	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126	-176.6	-51.8	-82.4	0	0	0	109.4	Y316 C317 K319 Y336 D337 Q338 D367	Y316-F369 WeakPolarHBondContact CA-O 3.1Å; C317-F369 PolarHBondContact N-O 3.12Å; C317-F369 VanDerWaalsContact SG-CB 3.59Å; K319-F369 HydrophobicContact CB-CD1 4.35Å; K319-F369 HydrophobicContact CB-CD2 3.8Å; K319-F369 HydrophobicContact CB-CE1 4.13Å; K319-F369 HydrophobicContact CB-CE2 3.58Å; K319-F369 HydrophobicContact CB-CG 4.19Å; K319-F369 HydrophobicContact CB-CZ 3.76Å; K319-F369 HydrophobicContact CD-CD1 4.36Å; K319-F369 HydrophobicContact CD-CE1 3.59Å; K319-F369 HydrophobicContact CD-CE2 4.3Å; K319-F369 HydrophobicContact CD-CZ 3.57Å; K319-F369 HydrophobicContact CG-CE1 4.46Å; K319-F369 HydrophobicContact CG-CZ 4.3Å; Y336-F369 HydrophobicContact CD2-CB 3.98Å; Y336-F369 AromaticContact CD2-CD1 3.53Å; Y336-F369 HydrophobicContact CD2-CD1 3.53Å; Y336-F369 HydrophobicContact CD2-CE1 4.46Å; Y336-F369 HydrophobicContact CD2-CG 4.14Å; Y336-F369 AromaticContact CE2-CD1 3.46Å; Y336-F369 HydrophobicContact CE2-CD1 3.46Å; Y336-F369 VanDerWaalsContact CE2-CD1 3.46Å; Y336-F369 AromaticContact CE2-CE1 3.99Å; Y336-F369 HydrophobicContact CE2-CE1 3.99Å; Y336-F369 HydrophobicContact CE2-CG 4.28Å; Y336-F369 HydrophobicContact CG-CB 4.44Å; D337-F369 CarbonylContact O-C 3.59Å; D337-F369 VanDerWaalsContact O-CA 3.28Å; D337-F369 WeakPolarHBondContact O-CA 3.24Å; Q338-F369 HydrophobicContact CB-CD1 3.91Å; Q338-F369 HydrophobicContact CB-CE1 3.94Å; Q338-F369 HydrophobicContact CG-CD1 3.99Å; Q338-F369 HydrophobicContact CG-CE1 3.6Å; Q338-F369 HydrophobicContact CG-CZ 4.38Å; D367-F369 HydrophobicContact CB-CE2 4.13Å; D367-F369 HydrophobicContact CB-CZ 3.88Å
370	L	96.6	Very high	95.9	Very high	39 Å²	39	75 Å²	75	20%	0.204	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.8	178.7	-77.8	176.2	0	0	0	110.4	G314 R315 Y316 Y336 D337 F339	G314-L370 WeakPolarHBondContact O-CD2 3.11Å; R315-L370 WeakPolarHBondContact O-CA 3.48Å; Y316-L370 HydrophobicContact CD1-CD2 3.49Å; Y316-L370 VanDerWaalsContact CD1-CD2 3.49Å; Y316-L370 HydrophobicContact CD1-CG 4.11Å; Y316-L370 HydrophobicContact CD2-CD2 4.17Å; Y316-L370 HydrophobicContact CE1-CD1 4.47Å; Y316-L370 HydrophobicContact CE1-CD2 3.54Å; Y316-L370 HydrophobicContact CE1-CG 3.95Å; Y316-L370 HydrophobicContact CE2-CD2 4.22Å; Y316-L370 HydrophobicContact CG-CD2 3.82Å; Y336-L370 CarbonylContact C-O 3.41Å; Y336-L370 WeakPolarHBondContact CA-O 3.39Å; Y336-L370 VanDerWaalsContact CB-O 3.23Å; Y336-L370 WeakPolarHBondContact CB-O 3.4Å; D337-L370 PolarHBondContact N-O 2.63Å; D337-L370 PolarHBondContact O-N 2.88Å; F339-L370 HydrophobicContact CD1-CD1 4.49Å; F339-L370 HydrophobicContact CE1-CB 4.35Å; F339-L370 HydrophobicContact CE1-CD1 3.4Å; F339-L370 VanDerWaalsContact CE1-CD1 3.4Å; F339-L370 HydrophobicContact CE1-CG 3.66Å; F339-L370 HydrophobicContact CZ-CD1 3.79Å; F339-L370 HydrophobicContact CZ-CG 4.16Å
371	C	96.9	Very high	95.9	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	136.9	178.3	-63.8	0	0	0	0	112.7	T312 G314 R315 C331	T312-C371 WeakPolarHBondContact O-CB 3.5Å; G314-C371 PolarHBondContact N-O 2.94Å; R315-C371 PolarHBondContact O-N 3.37Å; R315-C371 PolarHBondContact O-SG 3.22Å; C331-C371 WeakPolarHBondContact CA-SG 3.34Å; C331-C371 HydrophobicContact CB-CB 3.56Å; C331-C371 WeakPolarHBondContact CB-SG 3.43Å; C331-C371 PolarHBondContact N-SG 3.38Å; C331-C371 VanDerWaalsContact N-SG 3.44Å; C331-C371 WeakPolarHBondContact SG-CA 3.1Å; C331-C371 WeakPolarHBondContact SG-CB 3.32Å; C331-C371 CovalentContact SG-SG 2.04Å; C331-C371 PolarHBondContact SG-SG 2.88Å
372	K	95.3	Very high	95.8	Very high	113 Å²	113	55 Å²	55	49%	0.491	29%	0.294	S	S	.	.			trans	-74.7	0	173.1	-69.4	179.4	175.4	-178.3	0	113.5	H313 R334 G335 D337	H313-K372 PolarHBondContact CE1-OXT 3.43Å; H313-K372 VanDerWaalsContact CE1-OXT 3.26Å; H313-K372 PolarHBondContact ND1-OXT 2.89Å; R334-K372 PolarHBondContact NE-O 2.69Å; R334-K372 PolarHBondContact NH2-O 3.15Å; G335-K372 PolarHBondContact O-N 2.94Å; G335-K372 VanDerWaalsContact O-N 3.16Å; D337-K372 WeakPolarHBondContact OD1-CE 3.06Å; D337-K372 IonicContact OD1-NZ 3.31Å

Retrieved 372 of 372 residues in 249.7 ms (Link to these results)

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