A0A087YRX8_POEFO Loading...

Hexosyltransferase

N-acetyl glucosamine (GlcNAc) transferase that catalyzes the transfer of GlcNAc via a beta1->3 linkage from UDP-GlcNAc to the non-reducing terminal galactose (Gal) in the linearly growing chain of N- and O-linked keratan sulfate proteoglycans. Cooperates with B4GALT4 galactosyltransferase and CHST6 and CHST1 sulfotransferases to construct and elongate mono- and disulfated disaccharide units [->3Galbeta1->4(6-sulfoGlcNAcbeta)1->] and [->3(6-sulfoGalbeta)1->4(6-sulfoGlcNAcbeta)1->] within keratan sulfate polymer. Involved in biosynthesis of N-linked keratan sulfate proteoglycans in cornea, with an impact on proteoglycan fibril organization and corneal transparency. May play a role in the maintenance of tissue architecture by suppressing cellular motility and invasion.

AlphaFold DB , UniProt , Accession A0A087YRX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	42.6	Very low	229 Å²	229	181.5 Å²	181.5	100%	1.128	84%	0.842	S	S	*	*				0	115.6	0	-59.3	173.1	-170.9	0	0	106.2
2	D	35.1	Very low	43.2	Very low	156 Å²	156	177.8 Å²	177.8	83%	0.834	83%	0.831	S	S	*	*			cis	-161.6	153.1	-2.3	-95.1	-37	0	0	0	107.2
3	H	40.6	Very low	44	Very low	174 Å²	174	171 Å²	171	81%	0.806	81%	0.809	S	S	*	*			trans	-64.1	171.3	162.8	-102.9	-94.5	0	0	0	111.7
4	F	41.2	Very low	44.5	Very low	185 Å²	185	170.5 Å²	170.5	81%	0.811	80%	0.802	S	S	*	*			trans	90	108.1	173.8	-67.7	-95.9	0	0	0	114.2
5	F	38.6	Very low	45.2	Very low	197 Å²	197	164 Å²	164	86%	0.864	78%	0.783	S	S	*	*				-155.2	115.5	57.1	-108.7	-97.7	0	0	0	111.6
6	R	45.7	Very low	45.8	Very low	245 Å²	245	160.9 Å²	160.9	93%	0.925	77%	0.771	S	S	*	*			trans	-117.6	97.6	164.3	-171.9	-175.5	-171.6	-175.8	4.2	108
7	R	48.6	Very low	46.5	Very low	236 Å²	236	157.5 Å²	157.5	89%	0.891	76%	0.758	S	S	*	*			trans	171.8	115.5	151.1	-106.1	170.4	171.2	174.5	-2.4	111.1
8	K	46.2	Very low	47.5	Very low	205 Å²	205	152.7 Å²	152.7	89%	0.891	74%	0.743	S	S	*	*	S	Bend	trans	149	79.7	145.1	-85.8	179.3	-180	-178	0	109.8
9	R	45.8	Very low	48.5	Very low	234 Å²	234	149.6 Å²	149.6	88%	0.883	73%	0.73	S	S	*	*	S	Bend	trans	-161.1	-9.2	158.3	-114.2	171.5	-171.4	-171.7	2.5	115.6
10	A	46.3	Very low	49.5	Very low	81 Å²	81	145.4 Å²	145.4	67%	0.669	72%	0.716	S	S	*	*	H	α-helix	trans	-85	-8.1	-179.7	0	0	0	0	0	115.6
11	G	45	Very low	50.4	Low	54 Å²	54	144 Å²	144	56%	0.557	71%	0.711	S	S	*	*	H	α-helix	trans	-84.4	-37.5	-176.4	0	0	0	0	0	114.8
12	L	50	Low	52.4	Low	137 Å²	137	137.4 Å²	137.4	72%	0.717	68%	0.684	S	S	*	*	H	α-helix	trans	-74.7	-36.1	-173.4	-125.1	92.4	0	0	0	113.1	S15 L16	L12-S15 PolarHBondContact O-N 3.22Å; L12-L16 PolarHBondContact O-N 2.04Å
13	V	53.5	Low	54.2	Low	90 Å²	90	136.5 Å²	136.5	55%	0.545	67%	0.673	S	S	.	*	H	α-helix	trans	-71.7	-34.1	-175.8	-177.8	0	0	0	0	111.6	L17	V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 PolarHBondContact O-N 3.02Å
14	K	51.2	Low	55.8	Low	164 Å²	164	130.7 Å²	130.7	71%	0.713	65%	0.654	S	S	*	*	H	α-helix	trans	-71.1	-37	175.8	-74.2	-172.7	175.1	-173.6	0	112.5	S18	K14-S18 WeakPolarHBondContact O-CB 2.99Å; K14-S18 PolarHBondContact O-N 3.14Å
15	S	54	Low	57.3	Low	73 Å²	73	125 Å²	125	51%	0.51	64%	0.637	S	S	.	*	H	α-helix	trans	-67.9	-37.1	176	-66.4	0	0	0	0	112.7	L12 S18 L19	L12-S15 PolarHBondContact O-N 3.22Å; S15-S18 PolarHBondContact O-N 3.49Å; S15-L19 WeakPolarHBondContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CD1 3Å; S15-L19 PolarHBondContact O-N 3.31Å
16	L	55.1	Low	59	Low	114 Å²	114	118.1 Å²	118.1	60%	0.597	62%	0.617	S	S	*	*	H	α-helix	trans	-69.4	-38.5	177.9	-78.3	161.4	0	0	0	113.1	L12 L19 S20	L12-L16 PolarHBondContact O-N 2.04Å; L16-L19 PolarHBondContact O-N 2.94Å; L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 VanDerWaalsContact O-N 3.12Å; L16-S20 PolarHBondContact O-OG 2.95Å
17	L	57.3	Low	60.2	Low	104 Å²	104	111.9 Å²	111.9	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-69	-35.1	173.5	-80.7	158.5	0	0	0	112.3	V13 S20 L21	V13-L17 HydrophobicContact CG1-CD1 4.14Å; V13-L17 PolarHBondContact O-N 3.02Å; L17-S20 PolarHBondContact O-OG 3.17Å; L17-L21 PolarHBondContact O-N 3.43Å
18	S	65.7	Low	61.3	Low	70 Å²	70	106.8 Å²	106.8	49%	0.49	59%	0.59	S	S	.	*	H	α-helix	trans	-65.8	-43.2	174.2	179.1	0	0	0	0	111.8	K14 S15 V22	K14-S18 WeakPolarHBondContact O-CB 2.99Å; K14-S18 PolarHBondContact O-N 3.14Å; S15-S18 PolarHBondContact O-N 3.49Å; S18-V22 VanDerWaalsContact O-CG2 3.27Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.4Å; S18-V22 VanDerWaalsContact O-N 3.15Å
19	L	66	Low	62.6	Low	95 Å²	95	101.9 Å²	101.9	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-67.2	-39.7	179.3	-92.8	145.3	0	0	0	112.1	S15 L16 L21 V22 F23	S15-L19 WeakPolarHBondContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CD1 3Å; S15-L19 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 2.94Å; L19-L21 PolarHBondContact O-N 3.07Å; L19-V22 PolarHBondContact O-N 3.47Å; L19-F23 HydrophobicContact CD2-CD2 4.45Å; L19-F23 HydrophobicContact CD2-CE2 4.15Å; L19-F23 WeakPolarHBondContact O-CD2 3.49Å; L19-F23 PolarHBondContact O-N 3.08Å
20	S	69.3	Low	63.7	Low	65 Å²	65	96 Å²	96	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-37.8	178.2	62.8	0	0	0	0	112.9	L16 L17 F23 A24	L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 VanDerWaalsContact O-N 3.12Å; L16-S20 PolarHBondContact O-OG 2.95Å; L17-S20 PolarHBondContact O-OG 3.17Å; S20-F23 PolarHBondContact O-N 3.07Å; S20-A24 WeakPolarHBondContact O-CB 3.05Å; S20-A24 PolarHBondContact O-N 2.93Å
21	L	67.3	Low	64.5	Low	117 Å²	117	99.5 Å²	99.5	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-66	-38.5	174	-91.4	153.1	0	0	0	112.5	L17 L19 S25	L17-L21 PolarHBondContact O-N 3.43Å; L19-L21 PolarHBondContact O-N 3.07Å; L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 3.3Å; L21-S25 PolarHBondContact O-OG 3.45Å
22	V	77.6	Confident	65	Low	90 Å²	90	102.7 Å²	102.7	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-68	-42.5	176.2	173	0	0	0	0	111	S18 L19 S25 A26	S18-V22 VanDerWaalsContact O-CG2 3.27Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.4Å; S18-V22 VanDerWaalsContact O-N 3.15Å; L19-V22 PolarHBondContact O-N 3.47Å; V22-S25 PolarHBondContact O-N 3.09Å; V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.42Å
23	F	72.7	Confident	65.6	Low	137 Å²	137	102.8 Å²	102.8	60%	0.601	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-40.8	175.5	-92.9	-80.7	0	0	0	112.6	L19 S20 S25 A26 L27	L19-F23 HydrophobicContact CD2-CD2 4.45Å; L19-F23 HydrophobicContact CD2-CE2 4.15Å; L19-F23 WeakPolarHBondContact O-CD2 3.49Å; L19-F23 PolarHBondContact O-N 3.08Å; S20-F23 PolarHBondContact O-N 3.07Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 3.34Å; F23-A26 PolarHBondContact O-N 3.18Å; F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 3.08Å
24	A	74.9	Confident	65.6	Low	51 Å²	51	103.1 Å²	103.1	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-64.1	-39.2	175.9	0	0	0	0	0	112	S20 L27 M28	S20-A24 WeakPolarHBondContact O-CB 3.05Å; S20-A24 PolarHBondContact O-N 2.93Å; A24-L27 PolarHBondContact O-N 3.3Å; A24-M28 WeakPolarHBondContact O-CG 3.16Å; A24-M28 PolarHBondContact O-N 3.23Å
25	S	71.8	Confident	65.4	Low	65 Å²	65	98.9 Å²	98.9	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-42.2	176.6	-55.7	0	0	0	0	111.7	L21 V22 F23 M28 I29	L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 3.3Å; L21-S25 PolarHBondContact O-OG 3.45Å; V22-S25 PolarHBondContact O-N 3.09Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 3.34Å; S25-M28 PolarHBondContact O-N 2.9Å; S25-I29 VanDerWaalsContact O-CG1 3.29Å; S25-I29 WeakPolarHBondContact O-CG1 3.34Å; S25-I29 PolarHBondContact O-N 3.1Å
26	A	76	Confident	65.2	Low	54 Å²	54	101.5 Å²	101.5	45%	0.446	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-39.6	175.5	0	0	0	0	0	112.4	V22 F23 I29 L30	V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.42Å; F23-A26 PolarHBondContact O-N 3.18Å; A26-I29 PolarHBondContact O-N 3.34Å; A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 PolarHBondContact O-N 3.13Å
27	L	70.9	Confident	64.7	Low	114 Å²	114	103.6 Å²	103.6	60%	0.597	55%	0.553	S	S	*	*	H	α-helix	trans	-64.6	-38.7	174.7	-90.5	156.7	0	0	0	112.7	F23 A24 L30 K31	F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 3.08Å; A24-L27 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.11Å; L27-K31 PolarHBondContact O-N 3.1Å
28	M	70.6	Confident	64.2	Low	129 Å²	129	104.1 Å²	104.1	64%	0.635	56%	0.557	S	S	*	*	H	α-helix	trans	-67.5	-40.9	175.4	-75.1	-72.9	-107.5	0	0	111.7	A24 S25 K31 L32	A24-M28 WeakPolarHBondContact O-CG 3.16Å; A24-M28 PolarHBondContact O-N 3.23Å; S25-M28 PolarHBondContact O-N 2.9Å; M28-K31 PolarHBondContact O-N 3.3Å; M28-L32 WeakPolarHBondContact O-CG 3.46Å; M28-L32 PolarHBondContact O-N 2.92Å
29	I	74.1	Confident	63.1	Low	102 Å²	102	103.6 Å²	103.6	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-66.2	-38.5	175.6	-66	166	0	0	0	110.9	S25 A26 L32 K33	S25-I29 VanDerWaalsContact O-CG1 3.29Å; S25-I29 WeakPolarHBondContact O-CG1 3.34Å; S25-I29 PolarHBondContact O-N 3.1Å; A26-I29 PolarHBondContact O-N 3.34Å; I29-L32 PolarHBondContact O-N 3.38Å; I29-K33 PolarHBondContact O-N 3.13Å
30	L	67.9	Low	61.8	Low	109 Å²	109	106.4 Å²	106.4	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-65.8	-40.9	175.7	-155.8	84.5	0	0	0	111.6	A26 L27 K33 L34	A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 PolarHBondContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 2.75Å; L30-L34 WeakPolarHBondContact O-CB 3.46Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.31Å
31	K	63.4	Low	60.2	Low	156 Å²	156	106.6 Å²	106.6	68%	0.678	58%	0.579	S	S	*	*	H	α-helix	trans	-64	-39.7	173.7	-96.9	-167.5	171.9	-174.5	0	112.8	L27 M28 L34 S35	L27-K31 PolarHBondContact O-N 3.1Å; M28-K31 PolarHBondContact O-N 3.3Å; K31-L34 PolarHBondContact O-N 3.15Å; K31-S35 WeakPolarHBondContact O-CB 3.36Å; K31-S35 PolarHBondContact O-N 3.41Å
32	L	56.5	Low	58.9	Low	120 Å²	120	108.4 Å²	108.4	63%	0.628	59%	0.589	S	S	*	*	H	α-helix	trans	-66	-43.5	176.4	-76.4	165.4	0	0	0	111.3	M28 I29 L34 S35 E36	M28-L32 WeakPolarHBondContact O-CG 3.46Å; M28-L32 PolarHBondContact O-N 2.92Å; I29-L32 PolarHBondContact O-N 3.38Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.21Å; L32-S35 PolarHBondContact O-N 3.41Å; L32-E36 WeakPolarHBondContact O-CB 3.48Å; L32-E36 PolarHBondContact O-N 3.03Å
33	K	61.1	Low	56.7	Low	139 Å²	139	113.5 Å²	113.5	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-66	-32.1	175.5	-81.4	-171	173.1	-175	0	113.9	I29 L30 K37	I29-K33 PolarHBondContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 2.75Å; K33-K37 PolarHBondContact O-N 3.15Å; K33-K37 VanDerWaalsContact O-N 3.15Å
34	L	55	Low	54.8	Low	98 Å²	98	110.4 Å²	110.4	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-69.3	-42.5	172.3	-79.6	160.8	0	0	0	111.2	L30 K31 L32 E36 K37 D38	L30-L34 WeakPolarHBondContact O-CB 3.46Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.31Å; K31-L34 PolarHBondContact O-N 3.15Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.21Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.45Å; L34-K37 PolarHBondContact O-N 3.48Å; L34-D38 PolarHBondContact O-N 3.2Å
35	S	46.8	Very low	52.7	Low	75 Å²	75	112.2 Å²	112.2	52%	0.524	63%	0.625	S	S	.	*	H	α-helix	trans	-65.6	-29.5	175.3	-172.7	0	0	0	0	113.3	K31 L32 A39	K31-S35 WeakPolarHBondContact O-CB 3.36Å; K31-S35 PolarHBondContact O-N 3.41Å; L32-S35 PolarHBondContact O-N 3.41Å; S35-A39 WeakPolarHBondContact O-CB 3.31Å; S35-A39 PolarHBondContact O-N 3.3Å
36	E	50	Low	50.8	Low	128 Å²	128	118.1 Å²	118.1	60%	0.598	65%	0.646	S	S	*	*	H	α-helix	trans	-75.5	-38.3	176.9	-146.5	167.8	-157.8	0	0	111.1	L32 L34 D38 A39 E40	L32-E36 WeakPolarHBondContact O-CB 3.48Å; L32-E36 PolarHBondContact O-N 3.03Å; L34-E36 VanDerWaalsContact C-N 3.28Å; L34-E36 PolarHBondContact O-N 3.45Å; E36-D38 VanDerWaalsContact C-N 3.35Å; E36-D38 PolarHBondContact O-N 3.27Å; E36-A39 PolarHBondContact O-N 3.28Å; E36-E40 PolarHBondContact O-N 3.46Å
37	K	43.8	Very low	48.5	Very low	157 Å²	157	124.9 Å²	124.9	68%	0.683	67%	0.665	S	S	*	*	H	α-helix	trans	-64.7	-35	170.8	-87.2	-174.1	170.5	-175.1	0	113.2	K33 L34 A39 G41	K33-K37 PolarHBondContact O-N 3.15Å; K33-K37 VanDerWaalsContact O-N 3.15Å; L34-K37 PolarHBondContact O-N 3.48Å; K37-A39 VanDerWaalsContact C-N 3.31Å; K37-G41 PolarHBondContact O-N 2.99Å
38	D	45.9	Very low	46.5	Very low	115 Å²	115	124.3 Å²	124.3	62%	0.615	68%	0.677	S	S	*	*	H	α-helix	trans	-71.9	-26.2	174.8	-68.4	-25.4	0	0	0	112.2	L34 E36	L34-D38 PolarHBondContact O-N 3.2Å; E36-D38 VanDerWaalsContact C-N 3.35Å; E36-D38 PolarHBondContact O-N 3.27Å
39	A	42.7	Very low	44.6	Very low	59 Å²	59	124.6 Å²	124.6	49%	0.488	68%	0.681	S	S	.	*	H	α-helix	trans	-81.6	-30.8	177.3	0	0	0	0	0	113.4	S35 E36 K37	S35-A39 WeakPolarHBondContact O-CB 3.31Å; S35-A39 PolarHBondContact O-N 3.3Å; E36-A39 PolarHBondContact O-N 3.28Å; K37-A39 VanDerWaalsContact C-N 3.31Å
40	E	39.3	Very low	42.4	Very low	155 Å²	155	131.5 Å²	131.5	72%	0.724	70%	0.701	S	S	*	*	H	α-helix	trans	-76.8	-24.8	174.4	-72.3	-170.9	151.9	0	0	112.8	E36 L42	E36-E40 PolarHBondContact O-N 3.46Å; E40-L42 VanDerWaalsContact C-N 3.25Å; E40-L42 PolarHBondContact O-N 2.88Å
41	G	36.2	Very low	40.5	Very low	68 Å²	68	132 Å²	132	70%	0.701	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-11.7	175.6	0	0	0	0	0	115.7	K37	K37-G41 PolarHBondContact O-N 2.99Å
42	L	38.7	Very low	38.7	Very low	156 Å²	156	127.5 Å²	127.5	82%	0.817	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	0.9	-178.4	-100.6	105.5	0	0	0	115.1	E40	E40-L42 VanDerWaalsContact C-N 3.25Å; E40-L42 PolarHBondContact O-N 2.88Å
43	K	32.1	Very low	37.7	Very low	196 Å²	196	127.4 Å²	127.4	85%	0.852	72%	0.719	S	S	*	*	S	Bend	trans	-102.7	8.5	-177.2	-81	-173.2	177.2	177.5	0	115.7
44	G	33.9	Very low	36.4	Very low	73 Å²	73	128.2 Å²	128.2	75%	0.753	73%	0.73	S	S	*	*			trans	-116.2	77.3	179.6	0	0	0	0	0	114.1
45	A	30.3	Very low	35.1	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	75%	0.745	S	S	*	*	S	Bend	trans	-174.4	106	150.3	0	0	0	0	0	112.1
46	Q	31.1	Very low	34.2	Very low	189 Å²	189	135.5 Å²	135.5	88%	0.883	76%	0.762	S	S	*	*			trans	49.8	111.1	146.3	-67.5	170.9	-22.4	0	0	118
47	K	29	Very low	33.2	Very low	197 Å²	197	135 Å²	135	86%	0.857	77%	0.771	S	S	*	*				33.7	95.7	55.9	-106.7	-167.8	-179.5	-173.7	0	115.5
48	A	28.1	Very low	32.3	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	77%	0.771	S	S	*	*			trans	-140.9	117.7	141.1	0	0	0	0	0	107.7
49	D	31.1	Very low	31.7	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	78%	0.781	S	S	*	*			trans	-63.2	170.5	169.5	-84.1	-45.8	0	0	0	111.5
50	W	27.2	Very low	30.9	Very low	248 Å²	248	141 Å²	141	94%	0.939	80%	0.802	S	S	*	*			trans	125.5	87.5	152.3	-73.7	74.2	0	0	0	114.4
51	C	27.7	Very low	30.3	Very low	119 Å²	119	137.7 Å²	137.7	80%	0.804	80%	0.801	S	S	*	*				-176.1	139.4	98.2	-156.6	0	0	0	0	110.5
52	G	27.4	Very low	29.9	Very low	62 Å²	62	140.1 Å²	140.1	64%	0.639	80%	0.804	S	S	*	*			trans	-85.2	-172.2	-179.6	0	0	0	0	0	114.4	D54	G52-D54 PolarHBondContact O-N 3.39Å
53	S	35.5	Very low	29.5	Very low	118 Å²	118	139.5 Å²	139.5	83%	0.825	81%	0.807	S	S	*	*	S	Bend	trans	-52	112.9	178.1	41.1	0	0	0	0	113.4
54	D	32.3	Very low	29.3	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	80%	0.8	S	S	*	*			trans	137.8	79.8	156	-77.2	-20.8	0	0	0	111.1	G52	G52-D54 PolarHBondContact O-N 3.39Å
55	C	27.8	Very low	29.3	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	79%	0.794	S	S	*	*			trans	-145.5	68	160.8	-87.8	0	0	0	0	109.6
56	F	28.5	Very low	29.3	Very low	204 Å²	204	142.5 Å²	142.5	90%	0.895	80%	0.796	S	S	*	*			trans	-95	137.2	144.4	-90.1	-85.6	0	0	0	107.2
57	P	28.8	Very low	29.7	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	78%	0.782	S	S	*	*				-130.5	147.8	119.6	23.1	-6.9	0	0	0	113.5
58	S	25.3	Very low	30.1	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	77%	0.768	S	S	*	*			trans	-39	140.4	166.5	51.2	0	0	0	0	116.4
59	I	33.2	Very low	30.1	Very low	158 Å²	158	141.2 Å²	141.2	81%	0.81	76%	0.76	S	S	*	*			trans	43.7	108.9	134.4	-51.6	175.1	0	0	0	116.5
60	Q	25.6	Very low	30.3	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	76%	0.763	S	S	*	*			trans	-149.6	131.7	138.8	-104.6	167.4	22.4	0	0	111
61	A	26.2	Very low	30.8	Very low	86 Å²	86	135 Å²	135	71%	0.711	75%	0.745	S	S	*	*			trans	-2.4	143.4	174.2	0	0	0	0	0	121.6	V63	A61-V63 PolarHBondContact O-N 3.43Å
62	P	29.3	Very low	30.9	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	74%	0.74	S	S	*	*			trans	-73.4	126.1	171.9	31.1	-30.5	0	0	0	110.7	Q64	P62-Q64 PolarHBondContact O-N 2.93Å
63	V	30	Very low	30.9	Very low	144 Å²	144	134.7 Å²	134.7	87%	0.873	75%	0.745	S	S	*	*			trans	-63.1	101.1	162.5	176.4	0	0	0	0	107.6	A61 S65	A61-V63 PolarHBondContact O-N 3.43Å; V63-S65 PolarHBondContact O-N 2.91Å
64	Q	27.6	Very low	30.8	Very low	150 Å²	150	133 Å²	133	70%	0.701	74%	0.738	S	S	*	*			trans	-59.7	107.9	172.1	-75.1	-177.8	-7.1	0	0	109.2	P62 K66	P62-Q64 PolarHBondContact O-N 2.93Å; Q64-K66 PolarHBondContact O-N 3.12Å
65	S	33	Very low	31.2	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	74%	0.741	S	S	*	*			trans	-70.1	125.2	166.4	72.4	0	0	0	0	108.6	V63 F67	V63-S65 PolarHBondContact O-N 2.91Å; S65-F67 PolarHBondContact O-N 3.13Å
66	K	31.5	Very low	31.5	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-63.4	9.7	-177.4	-79.4	176.1	173.4	176.1	0	114.9	Q64 W68	Q64-K66 PolarHBondContact O-N 3.12Å; K66-W68 VanDerWaalsContact C-N 3.34Å; K66-W68 PolarHBondContact O-N 3.45Å
67	F	39.1	Very low	31.5	Very low	134 Å²	134	134.3 Å²	134.3	59%	0.588	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-67.6	-30.3	-174.9	-168.5	-103.3	0	0	0	113.1	S65	S65-F67 PolarHBondContact O-N 3.13Å
68	W	37.3	Very low	31.5	Very low	145 Å²	145	140.3 Å²	140.3	55%	0.549	75%	0.747	S	S	.	*	G	3₁₀ helix	trans	-99.5	-0	-176.3	-68	106.6	0	0	0	115.7	K66 L70 N71 A72	K66-W68 VanDerWaalsContact C-N 3.34Å; K66-W68 PolarHBondContact O-N 3.45Å; W68-L70 PolarHBondContact O-N 3.43Å; W68-N71 HydrophobicContact CE3-CB 3.71Å; W68-N71 HydrophobicContact CZ3-CB 3.89Å; W68-N71 VanDerWaalsContact CZ3-ND2 3.32Å; W68-N71 WeakPolarHBondContact CZ3-ND2 3.35Å; W68-N71 PolarHBondContact O-N 3.5Å; W68-A72 PolarHBondContact O-N 2.9Å
69	R	27.3	Very low	31.9	Very low	183 Å²	183	141.8 Å²	141.8	69%	0.691	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-17.4	171.4	-79.9	-167.1	-174.4	-166.5	2.9	113.3
70	L	35	Very low	31.6	Very low	148 Å²	148	141.5 Å²	141.5	78%	0.775	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-15.7	176.3	-74.3	163.1	0	0	0	113.7	W68	W68-L70 PolarHBondContact O-N 3.43Å
71	N	38.6	Very low	32.1	Very low	103 Å²	103	137 Å²	137	55%	0.551	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-12.7	-179.9	-77.7	-21.5	0	0	0	114.2	W68	W68-N71 HydrophobicContact CE3-CB 3.71Å; W68-N71 HydrophobicContact CZ3-CB 3.89Å; W68-N71 VanDerWaalsContact CZ3-ND2 3.32Å; W68-N71 WeakPolarHBondContact CZ3-ND2 3.35Å; W68-N71 PolarHBondContact O-N 3.5Å
72	A	30.2	Very low	32.4	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	75%	0.748	S	S	*	*	S	Bend	trans	-85.5	-15.4	174.4	0	0	0	0	0	113.8	W68 A74	W68-A72 PolarHBondContact O-N 2.9Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A72-A74 PolarHBondContact O-N 3.33Å
73	A	27.3	Very low	32.7	Very low	89 Å²	89	147.6 Å²	147.6	74%	0.736	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	4.7	179.6	0	0	0	0	0	114.1
74	A	33.2	Very low	32.9	Very low	82 Å²	82	146.3 Å²	146.3	68%	0.678	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	22.9	-176	0	0	0	0	0	114.4	A72	A72-A74 VanDerWaalsContact C-N 3.32Å; A72-A74 PolarHBondContact O-N 3.33Å
75	Q	40.3	Very low	33.5	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	75%	0.753	S	S	*	*	S	Bend	trans	-132.2	79.5	170.1	-86.1	-178.9	-13.7	0	0	111.5
76	S	34	Very low	34	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	76%	0.76	S	S	*	*			trans	-177.4	68.1	141.8	177.6	0	0	0	0	108.4
77	K	28	Very low	35.2	Very low	201 Å²	201	142 Å²	142	87%	0.874	76%	0.755	S	S	*	*			trans	-125	121.6	154.6	-80.3	-171.6	175.9	-176.9	0	107	V79	K77-V79 PolarHBondContact O-N 3.49Å
78	R	29.6	Very low	36.3	Very low	245 Å²	245	140.3 Å²	140.3	93%	0.925	76%	0.756	S	S	*	*			trans	-39.2	131.1	167.5	-79.3	174.2	174.5	175.3	-2.9	108.3	D80	R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 2.83Å
79	V	34.5	Very low	38.1	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	74%	0.744	S	S	*	*			trans	-51.2	102.7	169.5	175.3	0	0	0	0	106.9	K77	K77-V79 PolarHBondContact O-N 3.49Å
80	D	25.4	Very low	40.7	Very low	152 Å²	152	132.8 Å²	132.8	81%	0.813	75%	0.747	S	S	*	*			trans	-84.4	113	165.7	-144.9	-6.9	0	0	0	105.8	R78 Q82	R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 2.83Å; D80-Q82 PolarHBondContact O-N 3.18Å
81	S	36.5	Very low	43.2	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	73%	0.727	S	S	*	*	S	Bend	trans	-70.7	71.5	-173.4	-56.8	0	0	0	0	110.3
82	Q	33.1	Very low	45.8	Very low	180 Å²	180	124.5 Å²	124.5	84%	0.841	71%	0.706	S	S	*	*			trans	-159.4	64.6	172	-109.8	172	14.3	0	0	111.7	D80	D80-Q82 PolarHBondContact O-N 3.18Å
83	R	34.6	Very low	48.6	Very low	245 Å²	245	127.2 Å²	127.2	93%	0.925	70%	0.704	S	S	*	*	S	Bend	trans	-128.4	92.6	150.1	-112.5	-177.2	-173.1	-178.8	2.1	108.1
84	V	35.2	Very low	51.4	Low	117 Å²	117	124.3 Å²	124.3	71%	0.709	68%	0.677	S	S	*	*			trans	8.2	114	155.3	-174.8	0	0	0	0	114.5	N86	V84-N86 PolarHBondContact O-N 3.42Å
85	S	39.5	Very low	53.7	Low	114 Å²	114	128.4 Å²	128.4	80%	0.797	68%	0.682	S	S	*	*			trans	-44.5	93.6	155.7	50.8	0	0	0	0	111.5	G87	S85-G87 PolarHBondContact O-N 2.89Å
86	N	44.2	Very low	55.5	Low	150 Å²	150	125.3 Å²	125.3	80%	0.802	68%	0.676	S	S	*	*			trans	-77.5	109.2	157.2	-82.6	-2.9	0	0	0	106.3	V84	V84-N86 PolarHBondContact O-N 3.42Å
87	G	55.8	Low	57.8	Low	64 Å²	64	122.6 Å²	122.6	66%	0.66	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.3	152	176.6	0	0	0	0	0	111.4	S85	S85-G87 PolarHBondContact O-N 2.89Å
88	T	63	Low	60.4	Low	99 Å²	99	120.8 Å²	120.8	61%	0.607	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-51.5	128.4	173	-15.6	0	0	0	0	109.4	T90 N235	T88-T90 PolarHBondContact O-N 3.37Å; T88-N235 VanDerWaalsContact CG2-ND2 3.34Å; T88-N235 WeakPolarHBondContact CG2-ND2 3.29Å
89	P	75.8	Confident	63.2	Low	47 Å²	47	110.8 Å²	110.8	31%	0.305	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-54.4	127.9	179.9	-25.6	33.1	0	0	0	110.6	I236 F324	P89-I236 HydrophobicContact CB-CD1 4.23Å; P89-I236 HydrophobicContact CB-CG1 4Å; P89-I236 WeakPolarHBondContact O-CG1 3.39Å; P89-F324 HydrophobicContact CG-CE1 4.42Å; P89-F324 HydrophobicContact CG-CZ 4.24Å
90	T	80.9	Confident	66	Low	123 Å²	123	108.4 Å²	108.4	76%	0.755	61%	0.608	S	S	*	*			trans	-100.3	-12	-178	54.7	0	0	0	0	112.8	T88	T88-T90 PolarHBondContact O-N 3.37Å
91	S	87.7	Confident	69.3	Low	50 Å²	50	104.7 Å²	104.7	35%	0.35	59%	0.586	S	S	.	*	S	Bend	trans	-150.7	163.7	178.2	78.9	0	0	0	0	112.1	E93	S91-E93 PolarHBondContact O-N 2.83Å; S91-E93 WeakPolarHBondContact OG-CG 3.34Å
92	W	93.1	Very high	72.1	Confident	27 Å²	27	101.7 Å²	101.7	10%	0.102	56%	0.562	C	S	.	*			trans	-86.6	95.4	173.4	-165	-85.8	0	0	0	110.7	Y129 F130 M132 W214 N229 K232 W233 I236 Y237	W92-Y129 HydrophobicContact CH2-CD1 4.34Å; W92-F130 VanDerWaalsContact CZ2-O 3.27Å; W92-F130 WeakPolarHBondContact CZ2-O 3.34Å; W92-F130 PolarHBondContact NE1-O 2.98Å; W92-M132 HydrophobicContact CD2-CG 4.18Å; W92-M132 HydrophobicContact CD2-SD 3.94Å; W92-M132 HydrophobicContact CE3-SD 4.31Å; W92-M132 HydrophobicContact CG-CG 4.3Å; W92-M132 HydrophobicContact CG-SD 4.09Å; W92-M132 HydrophobicContact CZ2-CG 4.29Å; W92-W214 AromaticContact CE2-NE1 3.92Å; W92-W214 AromaticContact CH2-NE1 3.34Å; W92-W214 VanDerWaalsContact CH2-NE1 3.34Å; W92-W214 AromaticContact CZ2-CD1 3.59Å; W92-W214 AromaticContact CZ2-NE1 3.23Å; W92-N229 HydrophobicContact CH2-CB 4.01Å; W92-N229 WeakPolarHBondContact CH2-OD1 3.27Å; W92-N229 WeakPolarHBondContact CZ2-OD1 3.31Å; W92-K232 HydrophobicContact CE3-CD 4.33Å; W92-K232 HydrophobicContact CE3-CG 4.21Å; W92-K232 HydrophobicContact CH2-CB 4.28Å; W92-K232 HydrophobicContact CH2-CD 4.04Å; W92-K232 HydrophobicContact CH2-CG 4.31Å; W92-K232 HydrophobicContact CZ3-CB 3.79Å; W92-K232 HydrophobicContact CZ3-CD 3.77Å; W92-K232 HydrophobicContact CZ3-CG 3.62Å; W92-W233 HydrophobicContact CE3-CB 4.4Å; W92-W233 HydrophobicContact CZ3-CB 3.98Å; W92-I236 HydrophobicContact CE3-CD1 3.88Å; W92-Y237 HydrophobicContact CB-CE2 4.31Å; W92-Y237 WeakPolarHBondContact CB-OH 3.48Å; W92-Y237 PolarHBondContact N-OH 2.85Å
93	E	89.3	Confident	75	Confident	143 Å²	143	98.7 Å²	98.7	67%	0.668	55%	0.548	S	S	*	.			trans	-88.9	-5.5	-172.8	-63.3	173.1	-178.8	0	0	114.1	S91 Q95	S91-E93 PolarHBondContact O-N 2.83Å; S91-E93 WeakPolarHBondContact OG-CG 3.34Å; E93-Q95 PolarHBondContact O-N 3.19Å
94	V	86.6	Confident	77.8	Confident	29 Å²	29	93.3 Å²	93.3	18%	0.176	54%	0.537	C	S	.	.			trans	-79	94.3	-177.8	-173.6	0	0	0	0	109	P131	V94-P131 HydrophobicContact CG1-CG 4.29Å; V94-P131 VanDerWaalsContact O-CA 3.3Å; V94-P131 WeakPolarHBondContact O-CA 3.3Å
95	Q	81.1	Confident	80.6	Confident	167 Å²	167	88.4 Å²	88.4	78%	0.78	51%	0.507	S	S	*	.			trans	-96.6	-32.9	178.6	-64.7	-169.3	-12.1	0	0	112.9	E93 P131	E93-Q95 PolarHBondContact O-N 3.19Å; Q95-P131 WeakPolarHBondContact O-CG 3.47Å
96	V	78.3	Confident	83.1	Confident	125 Å²	125	86.9 Å²	86.9	76%	0.758	49%	0.486	S	S	*	.	S	Bend	trans	-133	133.8	177.7	-178	0	0	0	0	108.1
97	L	82.2	Confident	85.4	Confident	61 Å²	61	83 Å²	83	32%	0.319	47%	0.471	S	S	.	.			trans	-91.8	111.5	170	-177.1	64.3	0	0	0	109.7	C99 F130 P131	L97-C99 HydrophobicContact CD1-CB 3.75Å; L97-C99 HydrophobicContact CD2-CB 3.69Å; L97-C99 HydrophobicContact CG-CB 3.53Å; L97-F130 HydrophobicContact CD2-CD1 3.28Å; L97-F130 HydrophobicContact CD2-CE1 3.08Å; L97-F130 HydrophobicContact CD2-CG 4.17Å; L97-F130 HydrophobicContact CD2-CZ 3.78Å; L97-F130 HydrophobicContact CG-CD1 4.49Å; L97-P131 HydrophobicContact CB-CG 4.45Å
98	N	81.4	Confident	87.2	Confident	162 Å²	162	84.1 Å²	84.1	87%	0.866	46%	0.459	S	S	*	.			trans	-101	80.9	164.6	-164.8	13.7	0	0	0	108.7
99	C	89.3	Confident	88.7	Confident	36 Å²	36	81.1 Å²	81.1	24%	0.243	45%	0.447	C	S	.	.			trans	-111.7	123.2	179.5	172.2	0	0	0	0	109.3	L97 C127	L97-C99 HydrophobicContact CD1-CB 3.75Å; L97-C99 HydrophobicContact CD2-CB 3.69Å; L97-C99 HydrophobicContact CG-CB 3.53Å; C99-C127 HydrophobicContact CB-CB 3.76Å; C99-C127 WeakPolarHBondContact CB-SG 3.43Å; C99-C127 WeakPolarHBondContact SG-CB 3.46Å; C99-C127 CovalentContact SG-SG 1.99Å; C99-C127 PolarHBondContact SG-SG 3.4Å
100	S	93.1	Very high	89.6	Confident	81 Å²	81	81.4 Å²	81.4	57%	0.566	44%	0.442	S	S	*	.			trans	-111	165.8	174.6	59.2	0	0	0	0	110.6	H126	S100-H126 PolarHBondContact O-CE1 3.06Å; S100-H126 PolarHBondContact O-NE2 2.99Å
101	E	95.2	Very high	90.4	Very high	74 Å²	74	76.2 Å²	76.2	35%	0.346	41%	0.409	S	S	.	.			trans	-61	143.5	170.5	-65.1	-175.3	166.9	0	0	111.2	E103 K106 L123	E101-E103 PolarHBondContact O-N 3.2Å; E101-E103 VanDerWaalsContact O-N 3.12Å; E101-K106 IonicContact OE2-NZ 2.81Å; E101-K106 PolarHBondContact OE2-NZ 3.24Å; E101-L123 HydrophobicContact CB-CB 4.32Å; E101-L123 HydrophobicContact CG-CB 4.27Å; E101-L123 HydrophobicContact CG-CD1 4.28Å
102	D	94.9	Very high	90.6	Very high	42 Å²	42	83 Å²	83	23%	0.225	43%	0.428	C	S	.	.			trans	-76	95.5	170	-171	-28.6	0	0	0	110.3	L104 V105 K106 L123	D102-L104 PolarHBondContact O-N 3.49Å; D102-L104 WeakPolarHBondContact OD1-CA 3.13Å; D102-L104 VanDerWaalsContact OD1-CB 3.3Å; D102-L104 WeakPolarHBondContact OD1-CB 3.44Å; D102-L104 PolarHBondContact OD1-N 3.38Å; D102-V105 HydrophobicContact CB-CB 4.11Å; D102-V105 HydrophobicContact CB-CG2 4.06Å; D102-V105 VanDerWaalsContact CG-CG2 3.49Å; D102-V105 PolarHBondContact O-N 2.92Å; D102-V105 PolarHBondContact OD1-N 3.28Å; D102-V105 VanDerWaalsContact OD1-N 3.09Å; D102-V105 WeakPolarHBondContact OD2-CG2 3.2Å; D102-K106 PolarHBondContact O-N 3.44Å; D102-L123 WeakPolarHBondContact CB-O 3.5Å; D102-L123 PolarHBondContact N-O 3.44Å
103	E	93.9	Very high	90.6	Very high	117 Å²	117	89.5 Å²	89.5	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-61.2	-29	178.9	-69.6	-61.8	150.5	0	0	112.9	E101 K106 S107	E101-E103 PolarHBondContact O-N 3.2Å; E101-E103 VanDerWaalsContact O-N 3.12Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 IonicContact OE1-NZ 3.38Å; E103-K106 PolarHBondContact OE1-NZ 3.44Å; E103-K106 WeakPolarHBondContact OE2-CD 3.36Å; E103-K106 IonicContact OE2-NZ 2.74Å; E103-S107 PolarHBondContact O-N 3.37Å; E103-S107 VanDerWaalsContact O-N 3.13Å
104	L	93.3	Very high	90.9	Very high	132 Å²	132	82.9 Å²	82.9	69%	0.691	42%	0.421	S	S	*	.	H	α-helix	trans	-66.6	-42.8	176.6	-63.9	174.3	0	0	0	110.5	D102 S107 Q108	D102-L104 PolarHBondContact O-N 3.49Å; D102-L104 WeakPolarHBondContact OD1-CA 3.13Å; D102-L104 VanDerWaalsContact OD1-CB 3.3Å; D102-L104 WeakPolarHBondContact OD1-CB 3.44Å; D102-L104 PolarHBondContact OD1-N 3.38Å; L104-S107 PolarHBondContact O-N 2.92Å; L104-S107 PolarHBondContact O-OG 2.93Å; L104-Q108 WeakPolarHBondContact O-CG 3.47Å; L104-Q108 PolarHBondContact O-NE2 3.35Å
105	V	94	Very high	91.4	Very high	14 Å²	14	82.1 Å²	82.1	9%	0.085	42%	0.416	C	S	.	.	H	α-helix	trans	-66.3	-43.3	176.2	173.1	0	0	0	0	111.3	D102 S107 Q108 W110 F111 V122	D102-V105 HydrophobicContact CB-CB 4.11Å; D102-V105 HydrophobicContact CB-CG2 4.06Å; D102-V105 VanDerWaalsContact CG-CG2 3.49Å; D102-V105 PolarHBondContact O-N 2.92Å; D102-V105 PolarHBondContact OD1-N 3.28Å; D102-V105 VanDerWaalsContact OD1-N 3.09Å; D102-V105 WeakPolarHBondContact OD2-CG2 3.2Å; V105-S107 PolarHBondContact O-N 3.08Å; V105-Q108 WeakPolarHBondContact O-CB 3.23Å; V105-Q108 WeakPolarHBondContact O-CG 3.49Å; V105-Q108 PolarHBondContact O-N 2.91Å; V105-W110 HydrophobicContact CG1-CH2 4.07Å; V105-W110 HydrophobicContact CG1-CZ2 3.95Å; V105-F111 HydrophobicContact CG1-CD2 3.96Å; V105-F111 HydrophobicContact CG1-CG 4.42Å; V105-F111 WeakPolarHBondContact O-CB 3.23Å; V105-V122 HydrophobicContact CG1-CG1 3.44Å; V105-V122 VanDerWaalsContact CG1-CG1 3.44Å
106	K	92.3	Very high	92	Very high	81 Å²	81	78.7 Å²	78.7	35%	0.352	41%	0.409	S	S	.	.	H	α-helix	trans	-57.6	-35.1	178.8	-164.3	174.2	-179.4	171.6	0	113	E101 D102 E103 Q108 F111 L123	E101-K106 IonicContact OE2-NZ 2.81Å; E101-K106 PolarHBondContact OE2-NZ 3.24Å; D102-K106 PolarHBondContact O-N 3.44Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 IonicContact OE1-NZ 3.38Å; E103-K106 PolarHBondContact OE1-NZ 3.44Å; E103-K106 WeakPolarHBondContact OE2-CD 3.36Å; E103-K106 IonicContact OE2-NZ 2.74Å; K106-Q108 VanDerWaalsContact C-N 3.29Å; K106-Q108 PolarHBondContact O-N 3.45Å; K106-F111 HydrophobicContact CG-CE1 4.28Å; K106-L123 HydrophobicContact CB-CD2 3.78Å; K106-L123 HydrophobicContact CD-CD2 4.48Å; K106-L123 HydrophobicContact CG-CD2 4.22Å
107	S	92.4	Very high	92.8	Very high	70 Å²	70	78.7 Å²	78.7	49%	0.49	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.7	178.5	76.5	0	0	0	0	114.3	E103 L104 V105	E103-S107 PolarHBondContact O-N 3.37Å; E103-S107 VanDerWaalsContact O-N 3.13Å; L104-S107 PolarHBondContact O-N 2.92Å; L104-S107 PolarHBondContact O-OG 2.93Å; V105-S107 PolarHBondContact O-N 3.08Å
108	Q	94.4	Very high	93.5	Very high	86 Å²	86	75.8 Å²	75.8	40%	0.402	38%	0.38	S	S	.	.			trans	-72.7	139.9	-173	-60.5	-62.4	-36.6	0	0	113	L104 V105 K106 W110 F111 R112	L104-Q108 WeakPolarHBondContact O-CG 3.47Å; L104-Q108 PolarHBondContact O-NE2 3.35Å; V105-Q108 WeakPolarHBondContact O-CB 3.23Å; V105-Q108 WeakPolarHBondContact O-CG 3.49Å; V105-Q108 PolarHBondContact O-N 2.91Å; K106-Q108 VanDerWaalsContact C-N 3.29Å; K106-Q108 PolarHBondContact O-N 3.45Å; Q108-W110 VanDerWaalsContact C-N 3.29Å; Q108-W110 HydrophobicContact CB-CG 4.29Å; Q108-W110 VanDerWaalsContact CB-NE1 3.34Å; Q108-W110 PolarHBondContact O-N 3.32Å; Q108-F111 HydrophobicContact CB-CB 4.35Å; Q108-F111 WeakPolarHBondContact O-CB 3.3Å; Q108-F111 PolarHBondContact O-N 3.01Å; Q108-F111 VanDerWaalsContact O-N 3.15Å; Q108-R112 PolarHBondContact O-N 3.39Å
109	G	94.4	Very high	94.2	Very high	36 Å²	36	70.5 Å²	70.5	37%	0.371	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.7	179.5	0	0	0	0	0	114.4	R113	G109-R113 PolarHBondContact O-NH1 3.39Å; G109-R113 VanDerWaalsContact O-NH1 3.09Å
110	W	94.7	Very high	94.5	Very high	53 Å²	53	74.6 Å²	74.6	20%	0.201	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-34.5	176.1	68.3	-98.3	0	0	0	112.1	V105 Q108 R112 R113 L114 V122 E298	V105-W110 HydrophobicContact CG1-CH2 4.07Å; V105-W110 HydrophobicContact CG1-CZ2 3.95Å; Q108-W110 VanDerWaalsContact C-N 3.29Å; Q108-W110 HydrophobicContact CB-CG 4.29Å; Q108-W110 VanDerWaalsContact CB-NE1 3.34Å; Q108-W110 PolarHBondContact O-N 3.32Å; W110-R112 VanDerWaalsContact C-N 3.31Å; W110-R112 PolarHBondContact O-N 3.05Å; W110-R113 PolarHBondContact O-N 3.48Å; W110-R113 VanDerWaalsContact O-N 3.09Å; W110-L114 HydrophobicContact CZ3-CD2 4.09Å; W110-L114 PolarHBondContact O-N 2.91Å; W110-L114 VanDerWaalsContact O-N 3.1Å; W110-V122 HydrophobicContact CH2-CG1 3.62Å; W110-V122 HydrophobicContact CZ3-CG1 4.2Å; W110-E298 HydrophobicContact CE3-CB 4.09Å
111	F	96.3	Very high	94.6	Very high	14 Å²	14	71.3 Å²	71.3	6%	0.061	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63.3	-39.7	179	177.4	-98.5	0	0	0	111	V105 K106 Q108 R113 L114 H119 V122 L123	V105-F111 HydrophobicContact CG1-CD2 3.96Å; V105-F111 HydrophobicContact CG1-CG 4.42Å; V105-F111 WeakPolarHBondContact O-CB 3.23Å; K106-F111 HydrophobicContact CG-CE1 4.28Å; Q108-F111 HydrophobicContact CB-CB 4.35Å; Q108-F111 WeakPolarHBondContact O-CB 3.3Å; Q108-F111 PolarHBondContact O-N 3.01Å; Q108-F111 VanDerWaalsContact O-N 3.15Å; F111-R113 PolarHBondContact O-N 2.95Å; F111-R113 VanDerWaalsContact O-N 3.15Å; F111-L114 HydrophobicContact CD2-CD2 4Å; F111-L114 HydrophobicContact CE2-CD2 4.19Å; F111-L114 WeakPolarHBondContact O-CB 3.5Å; F111-L114 PolarHBondContact O-N 3.48Å; F111-H119 HydrophobicContact CE2-CB 4.18Å; F111-H119 AromaticContact CE2-CG 3.99Å; F111-H119 HydrophobicContact CZ-CB 3.87Å; F111-H119 AromaticContact CZ-CG 3.62Å; F111-H119 AromaticContact CZ-ND1 3.77Å; F111-V122 HydrophobicContact CD2-CG1 3.84Å; F111-V122 HydrophobicContact CE2-CB 4.31Å; F111-V122 HydrophobicContact CE2-CG1 3.97Å; F111-L123 HydrophobicContact CE1-CD2 4.3Å; F111-L123 HydrophobicContact CE2-CD1 4.45Å; F111-L123 HydrophobicContact CE2-CD2 4.03Å; F111-L123 HydrophobicContact CE2-CG 3.89Å; F111-L123 HydrophobicContact CZ-CD1 3.77Å; F111-L123 HydrophobicContact CZ-CD2 3.76Å; F111-L123 HydrophobicContact CZ-CG 3.67Å
112	R	92.3	Very high	94.7	Very high	193 Å²	193	67.8 Å²	67.8	73%	0.728	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-59.8	-26	175	-62.2	-177.5	-174.2	176.4	1	113.8	Q108 W110	Q108-R112 PolarHBondContact O-N 3.39Å; W110-R112 VanDerWaalsContact C-N 3.31Å; W110-R112 PolarHBondContact O-N 3.05Å
113	R	93.8	Very high	94.7	Very high	163 Å²	163	66.3 Å²	66.3	62%	0.615	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-93.5	-12.2	176.5	-64	-171.4	-61.8	-86.1	0.8	113.2	G109 W110 F111	G109-R113 PolarHBondContact O-NH1 3.39Å; G109-R113 VanDerWaalsContact O-NH1 3.09Å; W110-R113 PolarHBondContact O-N 3.48Å; W110-R113 VanDerWaalsContact O-N 3.09Å; F111-R113 PolarHBondContact O-N 2.95Å; F111-R113 VanDerWaalsContact O-N 3.15Å
114	L	96.1	Very high	94.9	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	-61.9	139.6	-179.6	-175.3	68.3	0	0	0	109.8	W110 F111 F118 H119 V122 P296 E298 L299	W110-L114 HydrophobicContact CZ3-CD2 4.09Å; W110-L114 PolarHBondContact O-N 2.91Å; W110-L114 VanDerWaalsContact O-N 3.1Å; F111-L114 HydrophobicContact CD2-CD2 4Å; F111-L114 HydrophobicContact CE2-CD2 4.19Å; F111-L114 WeakPolarHBondContact O-CB 3.5Å; F111-L114 PolarHBondContact O-N 3.48Å; L114-F118 HydrophobicContact CD1-CB 4.13Å; L114-F118 HydrophobicContact CD1-CG 4.5Å; L114-F118 HydrophobicContact CD2-CB 3.69Å; L114-F118 HydrophobicContact CG-CB 3.9Å; L114-H119 PolarHBondContact O-NE2 3.35Å; L114-V122 HydrophobicContact CD2-CB 4.1Å; L114-V122 HydrophobicContact CD2-CG1 4.31Å; L114-V122 HydrophobicContact CD2-CG2 3.75Å; L114-P296 HydrophobicContact CD1-CB 4.19Å; L114-P296 HydrophobicContact CD1-CG 3.44Å; L114-P296 VanDerWaalsContact CD1-CG 3.44Å; L114-E298 HydrophobicContact CD1-CB 4.29Å; L114-L299 HydrophobicContact CD1-CB 4.38Å
115	D	95.1	Very high	94.9	Very high	13 Å²	13	58.9 Å²	58.9	7%	0.07	28%	0.277	C	S	.	.			trans	-55.1	125.5	173.1	-176.4	-46.9	0	0	0	109.7	R117 F118 H119 R289 Y294	D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 WeakPolarHBondContact OD1-CB 3.47Å; D115-R117 WeakPolarHBondContact OD1-CG 3.36Å; D115-R117 IonicContact OD1-CZ 3.93Å; D115-R117 PolarHBondContact OD1-N 2.96Å; D115-R117 VanDerWaalsContact OD1-N 3.16Å; D115-R117 IonicContact OD1-NE 3.3Å; D115-R117 PolarHBondContact OD1-NE 3.48Å; D115-R117 IonicContact OD1-NH2 3.73Å; D115-R117 IonicContact OD2-CZ 3.95Å; D115-R117 IonicContact OD2-NE 3.89Å; D115-R117 PolarHBondContact OD2-NE 3.5Å; D115-R117 IonicContact OD2-NH2 3Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å; D115-F118 HydrophobicContact CB-CD2 3.94Å; D115-F118 HydrophobicContact CB-CE2 4.29Å; D115-F118 PolarHBondContact O-N 3.01Å; D115-H119 PolarHBondContact O-CD2 2.95Å; D115-R289 IonicContact OD2-NE 3.01Å; D115-R289 IonicContact OD2-NH2 3.63Å; D115-Y294 HydrophobicContact CB-CE1 4.25Å
116	P	95.3	Very high	94.9	Very high	96 Å²	96	62.5 Å²	62.5	62%	0.623	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-52.8	-26.9	-173.9	-31	36.6	0	0	0	114.8	F118 H119	P116-F118 PolarHBondContact O-N 3.12Å; P116-F118 VanDerWaalsContact O-N 3.11Å; P116-H119 WeakPolarHBondContact O-CB 3.36Å; P116-H119 PolarHBondContact O-N 3.23Å; P116-H119 VanDerWaalsContact O-N 3.07Å
117	R	94.8	Very high	95	Very high	124 Å²	124	59.1 Å²	59.1	47%	0.468	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.2	-23.5	176.9	-64.4	179.4	-67.1	170.3	-1.9	113.4	D115 F221 R289 Y294	D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 WeakPolarHBondContact OD1-CB 3.47Å; D115-R117 WeakPolarHBondContact OD1-CG 3.36Å; D115-R117 IonicContact OD1-CZ 3.93Å; D115-R117 PolarHBondContact OD1-N 2.96Å; D115-R117 VanDerWaalsContact OD1-N 3.16Å; D115-R117 IonicContact OD1-NE 3.3Å; D115-R117 PolarHBondContact OD1-NE 3.48Å; D115-R117 IonicContact OD1-NH2 3.73Å; D115-R117 IonicContact OD2-CZ 3.95Å; D115-R117 IonicContact OD2-NE 3.89Å; D115-R117 PolarHBondContact OD2-NE 3.5Å; D115-R117 IonicContact OD2-NH2 3Å; D115-R117 PolarHBondContact OD2-NH2 3.28Å; R117-F221 WeakPolarHBondContact O-CE2 3.19Å; R117-R289 PolarHBondContact NH1-O 3.29Å; R117-R289 PolarHBondContact NH2-O 3.39Å; R117-Y294 VanDerWaalsContact NH2-CD1 3.31Å
118	F	96.8	Very high	95.1	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-95.8	-9.8	179.5	-66.6	-92	0	0	0	113.5	L114 D115 P116 Q120 F121 V122 F221 Y294 I295 P296 L299 P334	L114-F118 HydrophobicContact CD1-CB 4.13Å; L114-F118 HydrophobicContact CD1-CG 4.5Å; L114-F118 HydrophobicContact CD2-CB 3.69Å; L114-F118 HydrophobicContact CG-CB 3.9Å; D115-F118 HydrophobicContact CB-CD2 3.94Å; D115-F118 HydrophobicContact CB-CE2 4.29Å; D115-F118 PolarHBondContact O-N 3.01Å; P116-F118 PolarHBondContact O-N 3.12Å; P116-F118 VanDerWaalsContact O-N 3.11Å; F118-Q120 PolarHBondContact O-N 3.49Å; F118-F121 PolarHBondContact O-N 3.5Å; F118-V122 HydrophobicContact CB-CG2 4.37Å; F118-V122 WeakPolarHBondContact O-CB 3.38Å; F118-V122 WeakPolarHBondContact O-CG2 3.47Å; F118-V122 PolarHBondContact O-N 2.98Å; F118-F221 HydrophobicContact CD1-CD2 4.3Å; F118-F221 AromaticContact CD1-CE2 3.67Å; F118-F221 HydrophobicContact CD1-CE2 3.67Å; F118-F221 AromaticContact CD1-CZ 3.9Å; F118-F221 HydrophobicContact CD1-CZ 3.9Å; F118-F221 HydrophobicContact CD2-CE2 4.41Å; F118-F221 HydrophobicContact CE1-CD2 4.46Å; F118-F221 AromaticContact CE1-CE1 3.93Å; F118-F221 HydrophobicContact CE1-CE1 3.93Å; F118-F221 AromaticContact CE1-CE2 3.64Å; F118-F221 HydrophobicContact CE1-CE2 3.64Å; F118-F221 AromaticContact CE1-CZ 3.33Å; F118-F221 HydrophobicContact CE1-CZ 3.33Å; F118-F221 HydrophobicContact CE2-CE2 4.39Å; F118-F221 HydrophobicContact CE2-CZ 4.13Å; F118-F221 HydrophobicContact CG-CE2 4.07Å; F118-F221 HydrophobicContact CG-CZ 4.49Å; F118-F221 HydrophobicContact CZ-CE1 4.25Å; F118-F221 HydrophobicContact CZ-CE2 4Å; F118-F221 AromaticContact CZ-CZ 3.46Å; F118-F221 HydrophobicContact CZ-CZ 3.46Å; F118-F221 VanDerWaalsContact CZ-CZ 3.46Å; F118-Y294 AromaticContact CE2-CD1 3.83Å; F118-Y294 HydrophobicContact CE2-CD1 3.83Å; F118-Y294 AromaticContact CE2-CE1 3.96Å; F118-Y294 HydrophobicContact CE2-CE1 3.96Å; F118-Y294 HydrophobicContact CZ-CD1 4.14Å; F118-Y294 VanDerWaalsContact CZ-O 3.31Å; F118-Y294 WeakPolarHBondContact CZ-O 3.4Å; F118-I295 HydrophobicContact CE1-CD1 3.91Å; F118-I295 HydrophobicContact CZ-CD1 4.29Å; F118-P296 HydrophobicContact CD2-CG 4.11Å; F118-P296 HydrophobicContact CE2-CG 4.09Å; F118-P296 HydrophobicContact CG-CG 4.46Å; F118-P296 HydrophobicContact CZ-CG 4.44Å; F118-L299 HydrophobicContact CD1-CD2 3.69Å; F118-L299 HydrophobicContact CE1-CD2 3.98Å; F118-P334 HydrophobicContact CD1-CG 4.16Å; F118-P334 HydrophobicContact CE1-CB 4.36Å; F118-P334 HydrophobicContact CE1-CG 4.09Å
119	H	96	Very high	95.2	Very high	51 Å²	51	54.9 Å²	54.9	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-50.2	-171.5	-76.3	-159.6	0	0	0	111.4	F111 L114 D115 P116 F121 V122 L123	F111-H119 HydrophobicContact CE2-CB 4.18Å; F111-H119 AromaticContact CE2-CG 3.99Å; F111-H119 HydrophobicContact CZ-CB 3.87Å; F111-H119 AromaticContact CZ-CG 3.62Å; F111-H119 AromaticContact CZ-ND1 3.77Å; L114-H119 PolarHBondContact O-NE2 3.35Å; D115-H119 PolarHBondContact O-CD2 2.95Å; P116-H119 WeakPolarHBondContact O-CB 3.36Å; P116-H119 PolarHBondContact O-N 3.23Å; P116-H119 VanDerWaalsContact O-N 3.07Å; H119-F121 VanDerWaalsContact C-N 3.35Å; H119-F121 PolarHBondContact O-N 3.19Å; H119-V122 PolarHBondContact O-N 2.75Å; H119-L123 WeakPolarHBondContact O-CB 3.42Å; H119-L123 VanDerWaalsContact O-CG 3.29Å; H119-L123 WeakPolarHBondContact O-CG 3.41Å; H119-L123 PolarHBondContact O-N 3.12Å
120	Q	94.8	Very high	95.2	Very high	121 Å²	121	54.3 Å²	54.3	57%	0.565	24%	0.236	S	C	*	.	H	α-helix	trans	-59.2	-45.4	179.6	-173.1	176.5	12	0	0	112	F118 H124	F118-Q120 PolarHBondContact O-N 3.49Å; Q120-H124 PolarHBondContact O-N 2.7Å; Q120-H124 PolarHBondContact O-ND1 2.68Å
121	F	95.9	Very high	95.3	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-51	177.2	173.6	-92.5	0	0	0	111.1	F118 H119 L123 H124 R125 F221 L332 Y333 P334	F118-F121 PolarHBondContact O-N 3.5Å; H119-F121 VanDerWaalsContact C-N 3.35Å; H119-F121 PolarHBondContact O-N 3.19Å; F121-L123 PolarHBondContact O-N 3.25Å; F121-H124 CarbonylContact O-C 3.58Å; F121-H124 PolarHBondContact O-N 3.14Å; F121-R125 HydrophobicContact CE1-CB 4.27Å; F121-R125 HydrophobicContact CZ-CB 4.36Å; F121-R125 WeakPolarHBondContact O-CB 3.49Å; F121-R125 PolarHBondContact O-N 3.34Å; F121-F221 HydrophobicContact CB-CB 4.33Å; F121-F221 HydrophobicContact CB-CD2 4.32Å; F121-F221 HydrophobicContact CD2-CB 3.88Å; F121-F221 WeakPolarHBondContact CD2-O 3.46Å; F121-F221 VanDerWaalsContact CE2-O 3.32Å; F121-F221 WeakPolarHBondContact CE2-O 3.37Å; F121-F221 HydrophobicContact CG-CB 4.28Å; F121-L332 HydrophobicContact CZ-CB 4.21Å; F121-L332 WeakPolarHBondContact CZ-O 3.5Å; F121-Y333 VanDerWaalsContact CZ-C 3.43Å; F121-P334 HydrophobicContact CD1-CG 3.85Å; F121-P334 HydrophobicContact CE1-CB 4.36Å; F121-P334 HydrophobicContact CE1-CG 3.55Å; F121-P334 HydrophobicContact CE2-CB 4.49Å; F121-P334 HydrophobicContact CE2-CG 4.49Å; F121-P334 HydrophobicContact CG-CG 4.46Å; F121-P334 HydrophobicContact CZ-CB 4.33Å; F121-P334 HydrophobicContact CZ-CG 3.91Å
122	V	96.8	Very high	95.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-37.1	-174.3	165	0	0	0	0	112.5	V105 W110 F111 L114 F118 H119 H124 R125 L299	V105-V122 HydrophobicContact CG1-CG1 3.44Å; V105-V122 VanDerWaalsContact CG1-CG1 3.44Å; W110-V122 HydrophobicContact CH2-CG1 3.62Å; W110-V122 HydrophobicContact CZ3-CG1 4.2Å; F111-V122 HydrophobicContact CD2-CG1 3.84Å; F111-V122 HydrophobicContact CE2-CB 4.31Å; F111-V122 HydrophobicContact CE2-CG1 3.97Å; L114-V122 HydrophobicContact CD2-CB 4.1Å; L114-V122 HydrophobicContact CD2-CG1 4.31Å; L114-V122 HydrophobicContact CD2-CG2 3.75Å; F118-V122 HydrophobicContact CB-CG2 4.37Å; F118-V122 WeakPolarHBondContact O-CB 3.38Å; F118-V122 WeakPolarHBondContact O-CG2 3.47Å; F118-V122 PolarHBondContact O-N 2.98Å; H119-V122 PolarHBondContact O-N 2.75Å; V122-H124 VanDerWaalsContact C-N 3.3Å; V122-H124 PolarHBondContact O-N 3.33Å; V122-R125 WeakPolarHBondContact O-CG 3.37Å; V122-L299 HydrophobicContact CG2-CD1 3.82Å
123	L	96.6	Very high	95.6	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-26.6	177.5	-70.3	171.1	0	0	0	113	E101 D102 K106 F111 H119 F121 H126	E101-L123 HydrophobicContact CB-CB 4.32Å; E101-L123 HydrophobicContact CG-CB 4.27Å; E101-L123 HydrophobicContact CG-CD1 4.28Å; D102-L123 WeakPolarHBondContact CB-O 3.5Å; D102-L123 PolarHBondContact N-O 3.44Å; K106-L123 HydrophobicContact CB-CD2 3.78Å; K106-L123 HydrophobicContact CD-CD2 4.48Å; K106-L123 HydrophobicContact CG-CD2 4.22Å; F111-L123 HydrophobicContact CE1-CD2 4.3Å; F111-L123 HydrophobicContact CE2-CD1 4.45Å; F111-L123 HydrophobicContact CE2-CD2 4.03Å; F111-L123 HydrophobicContact CE2-CG 3.89Å; F111-L123 HydrophobicContact CZ-CD1 3.77Å; F111-L123 HydrophobicContact CZ-CD2 3.76Å; F111-L123 HydrophobicContact CZ-CG 3.67Å; H119-L123 WeakPolarHBondContact O-CB 3.42Å; H119-L123 VanDerWaalsContact O-CG 3.29Å; H119-L123 WeakPolarHBondContact O-CG 3.41Å; H119-L123 PolarHBondContact O-N 3.12Å; F121-L123 PolarHBondContact O-N 3.25Å; L123-H126 PolarHBondContact O-CE1 3.39Å; L123-H126 VanDerWaalsContact O-CE1 3.29Å; L123-H126 PolarHBondContact O-ND1 3Å
124	H	96.1	Very high	95.8	Very high	57 Å²	57	40.9 Å²	40.9	26%	0.264	20%	0.195	S	C	.	.	H	α-helix	trans	-114	4.2	-174.2	-59	86.2	0	0	0	113.8	Q120 F121 V122 H126 C127	Q120-H124 PolarHBondContact O-N 2.7Å; Q120-H124 PolarHBondContact O-ND1 2.68Å; F121-H124 CarbonylContact O-C 3.58Å; F121-H124 PolarHBondContact O-N 3.14Å; V122-H124 VanDerWaalsContact C-N 3.3Å; V122-H124 PolarHBondContact O-N 3.33Å; H124-H126 PolarHBondContact O-N 2.96Å; H124-C127 WeakPolarHBondContact O-CB 3.38Å; H124-C127 PolarHBondContact O-N 2.99Å
125	R	94.3	Very high	95.9	Very high	37 Å²	37	43.1 Å²	43.1	14%	0.14	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12	-175.7	67.6	-173.2	172.5	156.3	12.9	115	F121 V122 C127 E331 L332	F121-R125 HydrophobicContact CE1-CB 4.27Å; F121-R125 HydrophobicContact CZ-CB 4.36Å; F121-R125 WeakPolarHBondContact O-CB 3.49Å; F121-R125 PolarHBondContact O-N 3.34Å; V122-R125 WeakPolarHBondContact O-CG 3.37Å; R125-C127 VanDerWaalsContact C-N 3.32Å; R125-E331 IonicContact CZ-OE1 3.61Å; R125-E331 IonicContact CZ-OE2 3.71Å; R125-E331 VanDerWaalsContact CZ-OE2 3.3Å; R125-E331 IonicContact NE-OE1 2.85Å; R125-E331 PolarHBondContact NE-OE1 3.39Å; R125-E331 IonicContact NH1-OE1 3.78Å; R125-E331 PolarHBondContact NH1-OE1 2.98Å; R125-E331 IonicContact NH1-OE2 2.71Å; R125-E331 PolarHBondContact NH1-OE2 3.38Å; R125-E331 IonicContact NH2-OE1 2.7Å; R125-E331 PolarHBondContact NH2-OE1 3.16Å; R125-E331 IonicContact NH2-OE2 2.65Å; R125-L332 HydrophobicContact CB-CB 4.34Å; R125-L332 WeakPolarHBondContact O-CD1 3.35Å; R125-L332 WeakPolarHBondContact O-CG 3.39Å
126	H	93.6	Very high	96	Very high	89 Å²	89	42.7 Å²	42.7	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.1	171.5	65.2	-85.6	0	0	0	112.6	S100 L123 H124 R128	S100-H126 PolarHBondContact O-CE1 3.06Å; S100-H126 PolarHBondContact O-NE2 2.99Å; L123-H126 PolarHBondContact O-CE1 3.39Å; L123-H126 VanDerWaalsContact O-CE1 3.29Å; L123-H126 PolarHBondContact O-ND1 3Å; H124-H126 PolarHBondContact O-N 2.96Å; H126-R128 PolarHBondContact O-N 3.05Å
127	C	94.8	Very high	96	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.074	19%	0.19	C	C	.	.			trans	-89.4	99.7	177.9	-56.7	0	0	0	0	110.3	C99 H124 R125 F130	C99-C127 HydrophobicContact CB-CB 3.76Å; C99-C127 WeakPolarHBondContact CB-SG 3.43Å; C99-C127 WeakPolarHBondContact SG-CB 3.46Å; C99-C127 CovalentContact SG-SG 1.99Å; C99-C127 PolarHBondContact SG-SG 3.4Å; H124-C127 WeakPolarHBondContact O-CB 3.38Å; H124-C127 PolarHBondContact O-N 2.99Å; R125-C127 VanDerWaalsContact C-N 3.32Å; C127-F130 WeakPolarHBondContact O-CE2 3.49Å
128	R	94.5	Very high	95.9	Very high	34 Å²	34	38.3 Å²	38.3	13%	0.128	19%	0.185	C	C	.	.			trans	-97.8	-37.1	-168.3	-57.5	174.8	69.3	89.6	11.8	113.3	H126 N229 S327 E328 V330 L332	H126-R128 PolarHBondContact O-N 3.05Å; R128-N229 PolarHBondContact O-ND2 3.39Å; R128-S327 VanDerWaalsContact CZ-O 3.22Å; R128-S327 PolarHBondContact NH1-O 2.76Å; R128-S327 PolarHBondContact NH2-O 3.43Å; R128-E328 IonicContact CZ-OE1 3.46Å; R128-E328 IonicContact NE-OE1 3.65Å; R128-E328 PolarHBondContact NE-OE1 3.02Å; R128-E328 IonicContact NH2-OE1 2.71Å; R128-V330 PolarHBondContact NH1-O 3.11Å; R128-L332 HydrophobicContact CG-CD1 4.19Å; R128-L332 HydrophobicContact CG-CG 4.39Å
129	Y	95.6	Very high	95.7	Very high	33 Å²	33	39.4 Å²	39.4	13%	0.129	19%	0.19	C	C	.	.			trans	-116.1	133.8	-170.4	-59.2	-59.1	0	0	0	111.6	W92 N229 K232 F324 E328	W92-Y129 HydrophobicContact CH2-CD1 4.34Å; Y129-N229 WeakPolarHBondContact CA-OD1 3.45Å; Y129-K232 HydrophobicContact CD1-CB 4.4Å; Y129-K232 HydrophobicContact CD1-CD 3.46Å; Y129-K232 VanDerWaalsContact CD1-CD 3.46Å; Y129-K232 HydrophobicContact CD2-CD 4.27Å; Y129-K232 HydrophobicContact CE1-CB 3.78Å; Y129-K232 HydrophobicContact CE1-CD 3.33Å; Y129-K232 HydrophobicContact CE1-CG 4.17Å; Y129-K232 HydrophobicContact CE2-CD 4.16Å; Y129-K232 HydrophobicContact CG-CD 3.95Å; Y129-F324 WeakPolarHBondContact OH-CE2 3.47Å; Y129-E328 PolarHBondContact OH-OE1 3.33Å; Y129-E328 PolarHBondContact OH-OE2 3.3Å
130	F	96.3	Very high	95.5	Very high	23 Å²	23	37.1 Å²	37.1	10%	0.101	18%	0.18	C	C	.	.			trans	-121.6	154.1	-174.7	-70.3	-102.4	0	0	0	110.6	W92 L97 C127 W214 D215 F216 L225 N229	W92-F130 VanDerWaalsContact CZ2-O 3.27Å; W92-F130 WeakPolarHBondContact CZ2-O 3.34Å; W92-F130 PolarHBondContact NE1-O 2.98Å; L97-F130 HydrophobicContact CD2-CD1 3.28Å; L97-F130 HydrophobicContact CD2-CE1 3.08Å; L97-F130 HydrophobicContact CD2-CG 4.17Å; L97-F130 HydrophobicContact CD2-CZ 3.78Å; L97-F130 HydrophobicContact CG-CD1 4.49Å; C127-F130 WeakPolarHBondContact O-CE2 3.49Å; F130-W214 HydrophobicContact CB-CB 4.29Å; F130-D215 WeakPolarHBondContact CD1-O 3.43Å; F130-F216 HydrophobicContact CB-CD1 4.15Å; F130-F216 HydrophobicContact CD1-CB 3.51Å; F130-F216 HydrophobicContact CD2-CB 4.05Å; F130-F216 AromaticContact CD2-CD1 3.93Å; F130-F216 HydrophobicContact CD2-CD1 3.93Å; F130-F216 HydrophobicContact CD2-CG 4.37Å; F130-F216 HydrophobicContact CE1-CB 3.52Å; F130-F216 HydrophobicContact CE2-CB 4.13Å; F130-F216 HydrophobicContact CG-CB 3.77Å; F130-F216 AromaticContact CG-CD1 3.96Å; F130-F216 HydrophobicContact CG-CD1 3.96Å; F130-F216 HydrophobicContact CG-CG 4.36Å; F130-F216 HydrophobicContact CZ-CB 3.86Å; F130-L225 HydrophobicContact CD2-CD1 4.43Å; F130-L225 HydrophobicContact CE2-CD1 3.57Å; F130-L225 HydrophobicContact CE2-CD2 3.82Å; F130-L225 HydrophobicContact CE2-CG 4.24Å; F130-L225 HydrophobicContact CZ-CD1 3.85Å; F130-N229 PolarHBondContact N-OD1 3.47Å
131	P	96.7	Very high	95	Very high	13 Å²	13	33.7 Å²	33.7	8%	0.084	17%	0.172	C	C	.	.			trans	-54.8	146.4	170.6	-25.3	34.5	0	0	0	112.1	V94 Q95 L97 W214 D215	V94-P131 HydrophobicContact CG1-CG 4.29Å; V94-P131 VanDerWaalsContact O-CA 3.3Å; V94-P131 WeakPolarHBondContact O-CA 3.3Å; Q95-P131 WeakPolarHBondContact O-CG 3.47Å; L97-P131 HydrophobicContact CB-CG 4.45Å; P131-W214 CarbonylContact O-C 3.59Å; P131-W214 WeakPolarHBondContact O-CA 3.44Å; P131-D215 HydrophobicContact CB-CB 4.33Å; P131-D215 PolarHBondContact O-N 2.77Å
132	M	97.4	Very high	93.9	Very high	35 Å²	35	39 Å²	39	17%	0.172	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.2	171.8	-71.6	-169.8	74.8	0	0	109.9	W92 I134 N135 L212 Q213 W214 W233	W92-M132 HydrophobicContact CD2-CG 4.18Å; W92-M132 HydrophobicContact CD2-SD 3.94Å; W92-M132 HydrophobicContact CE3-SD 4.31Å; W92-M132 HydrophobicContact CG-CG 4.3Å; W92-M132 HydrophobicContact CG-SD 4.09Å; W92-M132 HydrophobicContact CZ2-CG 4.29Å; M132-I134 VanDerWaalsContact CE-O 3.23Å; M132-I134 WeakPolarHBondContact CE-O 3.34Å; M132-N135 HydrophobicContact CB-CB 4.5Å; M132-N135 HydrophobicContact CE-CB 3.58Å; M132-N135 WeakPolarHBondContact CE-OD1 3.35Å; M132-N135 HydrophobicContact SD-CB 4.11Å; M132-L212 HydrophobicContact CE-CB 4.33Å; M132-L212 HydrophobicContact CE-CD2 4.08Å; M132-Q213 CarbonylContact C-O 3.55Å; M132-Q213 WeakPolarHBondContact CA-O 3.41Å; M132-W214 HydrophobicContact CE-CZ2 4.16Å; M132-W214 HydrophobicContact CG-CG 4.36Å; M132-W214 VanDerWaalsContact CG-NE1 3.33Å; M132-W233 VanDerWaalsContact SD-CD1 3.53Å
133	L	97	Very high	92.7	Very high	78 Å²	78	40.1 Å²	40.1	41%	0.408	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-36.5	173	-58.4	179.1	0	0	0	111	T187 Q213 D215	L133-T187 HydrophobicContact CD1-CG2 3.6Å; L133-Q213 HydrophobicContact CB-CB 4.29Å; L133-Q213 HydrophobicContact CB-CG 4.24Å; L133-Q213 HydrophobicContact CD1-CG 4.21Å; L133-Q213 PolarHBondContact N-O 3.1Å; L133-D215 HydrophobicContact CD1-CB 4.19Å; L133-D215 HydrophobicContact CD2-CB 4Å; L133-D215 HydrophobicContact CG-CB 4.01Å
134	I	98.3	Very high	92.2	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.2	178.9	-54.2	179.1	0	0	0	108.4	M132 I201 D205 I211 Q213	M132-I134 VanDerWaalsContact CE-O 3.23Å; M132-I134 WeakPolarHBondContact CE-O 3.34Å; I134-I201 HydrophobicContact CD1-CG2 3.44Å; I134-I201 VanDerWaalsContact CD1-CG2 3.44Å; I134-D205 HydrophobicContact CD1-CB 4.26Å; I134-D205 HydrophobicContact CG2-CB 4.22Å; I134-D205 VanDerWaalsContact CG2-CG 3.49Å; I134-I211 HydrophobicContact CD1-CG2 4.32Å; I134-I211 HydrophobicContact CG2-CB 4.46Å; I134-I211 VanDerWaalsContact CG2-O 3.23Å; I134-I211 WeakPolarHBondContact CG2-O 3.34Å; I134-Q213 HydrophobicContact CB-CB 3.98Å; I134-Q213 HydrophobicContact CD1-CB 4.36Å; I134-Q213 HydrophobicContact CG1-CB 4.15Å; I134-Q213 PolarHBondContact N-O 2.77Å; I134-Q213 PolarHBondContact O-N 2.86Å
135	N	97.7	Very high	92.2	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.273	23%	0.226	S	C	.	.			trans	-141.2	144.2	-172.5	-171.2	13.1	0	0	0	111.6	M132 W233	M132-N135 HydrophobicContact CB-CB 4.5Å; M132-N135 HydrophobicContact CE-CB 3.58Å; M132-N135 WeakPolarHBondContact CE-OD1 3.35Å; M132-N135 HydrophobicContact SD-CB 4.11Å; N135-W233 PolarHBondContact OD1-NE1 2.72Å
136	H	96.8	Very high	92.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.223	C	C	.	.			trans	-134.3	65.3	178.9	-65.9	-64.4	0	0	0	113.8	E138 K139 D205 I211 L212 W233	H136-E138 WeakPolarHBondContact CA-OE2 3.28Å; H136-E138 WeakPolarHBondContact CB-OE1 3.33Å; H136-E138 IonicContact CE1-OE1 3.51Å; H136-E138 IonicContact CG-OE1 2.73Å; H136-E138 IonicContact ND1-OE1 2.76Å; H136-E138 PolarHBondContact ND1-OE1 3.4Å; H136-E138 PolarHBondContact O-N 3.29Å; H136-E138 VanDerWaalsContact O-N 3.16Å; H136-K139 HydrophobicContact CB-CB 4.35Å; H136-K139 HydrophobicContact CB-CG 3.75Å; H136-K139 WeakPolarHBondContact O-CB 3.27Å; H136-K139 PolarHBondContact O-N 2.83Å; H136-K139 VanDerWaalsContact O-N 3.12Å; H136-D205 IonicContact CD2-OD1 3.31Å; H136-D205 IonicContact CE1-OD1 3.98Å; H136-D205 PolarHBondContact CE1-OD1 2.86Å; H136-D205 VanDerWaalsContact CE1-OD1 3.28Å; H136-D205 IonicContact CE1-OD2 3.88Å; H136-D205 IonicContact NE2-OD1 2.76Å; H136-D205 PolarHBondContact NE2-OD1 2.84Å; H136-D205 IonicContact NE2-OD2 3.28Å; H136-I211 PolarHBondContact CD2-O 2.92Å; H136-I211 PolarHBondContact NE2-O 3.21Å; H136-L212 HydrophobicContact CB-CD2 4.32Å; H136-W233 WeakPolarHBondContact O-CZ2 3.48Å
137	P	94.6	Very high	92.5	Very high	50 Å²	50	37.9 Å²	37.9	33%	0.325	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-57.4	-28.8	177.1	27.7	-36.3	0	0	0	112.7	K139 C140 Y237	P137-K139 PolarHBondContact O-N 3.05Å; P137-C140 PolarHBondContact O-N 3.01Å; P137-Y237 HydrophobicContact CB-CD1 3.42Å; P137-Y237 VanDerWaalsContact CB-CD1 3.42Å; P137-Y237 HydrophobicContact CB-CE1 3.69Å; P137-Y237 HydrophobicContact CB-CG 4.02Å
138	E	93.6	Very high	92.7	Very high	77 Å²	77	37.4 Å²	37.4	36%	0.36	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.4	-24.3	178.6	74.9	-74.9	179.8	0	0	113.6	H136 C140 A141	H136-E138 WeakPolarHBondContact CA-OE2 3.28Å; H136-E138 WeakPolarHBondContact CB-OE1 3.33Å; H136-E138 IonicContact CE1-OE1 3.51Å; H136-E138 IonicContact CG-OE1 2.73Å; H136-E138 IonicContact ND1-OE1 2.76Å; H136-E138 PolarHBondContact ND1-OE1 3.4Å; H136-E138 PolarHBondContact O-N 3.29Å; H136-E138 VanDerWaalsContact O-N 3.16Å; E138-C140 PolarHBondContact O-N 2.83Å; E138-A141 PolarHBondContact O-N 3.02Å
139	K	93.1	Very high	92.9	Very high	24 Å²	24	35.8 Å²	35.8	10%	0.104	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.6	-179.2	-83.6	-76.8	-174.8	176.9	0	113.7	H136 P137 E171 L182 K209	H136-K139 HydrophobicContact CB-CB 4.35Å; H136-K139 HydrophobicContact CB-CG 3.75Å; H136-K139 WeakPolarHBondContact O-CB 3.27Å; H136-K139 PolarHBondContact O-N 2.83Å; H136-K139 VanDerWaalsContact O-N 3.12Å; P137-K139 PolarHBondContact O-N 3.05Å; K139-E171 IonicContact NZ-OE1 3.29Å; K139-E171 PolarHBondContact NZ-OE1 3.14Å; K139-E171 IonicContact NZ-OE2 3.19Å; K139-E171 PolarHBondContact NZ-OE2 2.71Å; K139-L182 HydrophobicContact CB-CD2 4.39Å; K139-L182 HydrophobicContact CG-CD2 3.97Å; K139-K209 WeakPolarHBondContact CE-O 3.13Å
140	C	91.8	Very high	93	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.027	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-111.1	-0.1	177.7	-73.4	0	0	0	0	113.8	P137 E138 Y237 C238	P137-C140 PolarHBondContact O-N 3.01Å; E138-C140 PolarHBondContact O-N 2.83Å; C140-Y237 WeakPolarHBondContact CB-O 3.34Å; C140-C238 HydrophobicContact CB-CB 3.74Å; C140-C238 WeakPolarHBondContact CB-SG 3.4Å; C140-C238 WeakPolarHBondContact SG-CB 3.42Å; C140-C238 CovalentContact SG-SG 2.05Å; C140-C238 PolarHBondContact SG-SG 3.46Å
141	A	84.8	Confident	93.1	Very high	48 Å²	48	33.1 Å²	33.1	40%	0.397	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-43.6	-177.5	0	0	0	0	0	112.3	E138 G143 R240	E138-A141 PolarHBondContact O-N 3.02Å; A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 2.96Å; A141-R240 PolarHBondContact O-NH2 2.84Å
142	D	71.8	Confident	93.2	Very high	125 Å²	125	33 Å²	33	67%	0.668	18%	0.181	S	C	*	.	S	Bend	trans	-83.4	43.8	-165.5	-60.6	-23.5	0	0	0	115.2	K178	D142-K178 PolarHBondContact O-NZ 3.27Å
143	G	72.2	Confident	93.3	Very high	22 Å²	22	31.5 Å²	31.5	23%	0.227	17%	0.174	C	C	.	.	S	Bend	trans	115.5	-169.6	170.2	0	0	0	0	0	115.5	A141 V145	A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 2.96Å; G143-V145 PolarHBondContact O-N 3.46Å; G143-V145 VanDerWaalsContact O-N 3.1Å
144	Q	85.9	Confident	93.3	Very high	129 Å²	129	29.9 Å²	29.9	60%	0.603	17%	0.167	S	C	*	.			trans	-82.7	88.8	-173.7	-155.8	174.7	15.5	0	0	110.5	H146 R240 Q242	Q144-H146 PolarHBondContact O-N 2.92Å; Q144-R240 WeakPolarHBondContact CG-O 3.38Å; Q144-Q242 VanDerWaalsContact NE2-NE2 3.14Å
145	V	95.1	Very high	93.2	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.164	C	C	.	.			trans	-65.3	121.2	170.1	173.3	0	0	0	0	108.3	G143 L147 I148 K178 K180 V241 Q242	G143-V145 PolarHBondContact O-N 3.46Å; G143-V145 VanDerWaalsContact O-N 3.1Å; V145-L147 WeakPolarHBondContact CG1-O 3.49Å; V145-I148 HydrophobicContact CG1-CB 4.39Å; V145-K178 HydrophobicContact CG2-CD 4.37Å; V145-K180 HydrophobicContact CG1-CB 4.12Å; V145-K180 HydrophobicContact CG1-CG 4.07Å; V145-K180 HydrophobicContact CG2-CG 3.8Å; V145-V241 HydrophobicContact CB-CG2 3.95Å; V145-V241 HydrophobicContact CG1-CG2 4.18Å; V145-V241 VanDerWaalsContact O-CA 3.27Å; V145-V241 WeakPolarHBondContact O-CA 3.44Å; V145-Q242 PolarHBondContact O-N 3.15Å
146	H	97	Very high	93.1	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	16%	0.163	C	C	.	.	S	Bend	trans	-74.4	-47.3	179.3	179.6	74.2	0	0	0	110.7	Q144 K177 K178 Q242 F243	Q144-H146 PolarHBondContact O-N 2.92Å; H146-K177 HydrophobicContact CB-CB 3.92Å; H146-K177 HydrophobicContact CB-CG 4.41Å; H146-K177 WeakPolarHBondContact NE2-CD 3.47Å; H146-K178 PolarHBondContact N-O 3.01Å; H146-Q242 PolarHBondContact CE1-OE1 3.13Å; H146-Q242 PolarHBondContact ND1-OE1 2.76Å; H146-Q242 WeakPolarHBondContact O-CB 3.39Å; H146-F243 AromaticContact CE1-CD2 3.76Å; H146-F243 AromaticContact CE1-CE2 3.73Å; H146-F243 AromaticContact NE2-CD2 3.99Å; H146-F243 PolarHBondContact O-N 3.31Å
147	L	98.2	Very high	93.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129	-178.4	177.4	63.7	0	0	0	110.2	V145 M149 K178 I179 K180 F243 F245 L258 L259 I262	V145-L147 WeakPolarHBondContact CG1-O 3.49Å; L147-M149 HydrophobicContact CD2-SD 3.65Å; L147-M149 HydrophobicContact CG-SD 3.99Å; L147-K178 PolarHBondContact N-O 3.08Å; L147-I179 VanDerWaalsContact O-CA 3.31Å; L147-I179 WeakPolarHBondContact O-CA 3.11Å; L147-K180 PolarHBondContact O-N 3.11Å; L147-F243 WeakPolarHBondContact CA-O 3.42Å; L147-F243 HydrophobicContact CD1-CB 3.87Å; L147-F245 HydrophobicContact CD1-CB 3.96Å; L147-L258 HydrophobicContact CD2-CD2 3.78Å; L147-L258 HydrophobicContact CD2-CG 4.3Å; L147-L259 HydrophobicContact CB-CD2 4.37Å; L147-L259 HydrophobicContact CD2-CD2 3.87Å; L147-I262 HydrophobicContact CD1-CD1 4.19Å; L147-I262 HydrophobicContact CD2-CD1 4.38Å
148	I	98.1	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.2	166.4	-162.4	166	0	0	0	109.8	V145 V150 K180 L182 F234 V241 F243 I244 F245	V145-I148 HydrophobicContact CG1-CB 4.39Å; I148-V150 HydrophobicContact CG1-CG2 4.21Å; I148-V150 HydrophobicContact CG2-CG2 3.98Å; I148-K180 CarbonylContact C-O 3.51Å; I148-K180 WeakPolarHBondContact CA-O 3.45Å; I148-K180 HydrophobicContact CG1-CB 4.33Å; I148-L182 HydrophobicContact CD1-CD1 3.49Å; I148-L182 VanDerWaalsContact CD1-CD1 3.49Å; I148-L182 HydrophobicContact CD1-CG 4.09Å; I148-L182 HydrophobicContact CG1-CD1 4.33Å; I148-F234 HydrophobicContact CG2-CE2 4.16Å; I148-V241 HydrophobicContact CB-CG1 4.23Å; I148-V241 HydrophobicContact CG2-CG1 3.83Å; I148-F243 PolarHBondContact N-O 2.99Å; I148-I244 HydrophobicContact CG2-CB 4.15Å; I148-I244 HydrophobicContact CG2-CG1 3.7Å; I148-I244 HydrophobicContact CG2-CG2 4.09Å; I148-I244 WeakPolarHBondContact O-CA 3.37Å; I148-F245 PolarHBondContact O-N 3.42Å
149	M	98.6	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.5	172.9	-54	-65.1	-75.2	0	0	107.7	L147 I151 W168 I179 K180 T181 L182 F245 V253 L258	L147-M149 HydrophobicContact CD2-SD 3.65Å; L147-M149 HydrophobicContact CG-SD 3.99Å; M149-I151 HydrophobicContact CB-CD1 3.88Å; M149-W168 HydrophobicContact CE-CE3 3.55Å; M149-W168 HydrophobicContact CE-CZ3 3.67Å; M149-I179 HydrophobicContact CG-CG2 3.73Å; M149-I179 HydrophobicContact SD-CG2 4.45Å; M149-K180 PolarHBondContact N-O 3.08Å; M149-T181 HydrophobicContact CB-CG2 4.44Å; M149-T181 CarbonylContact O-C 3.55Å; M149-T181 WeakPolarHBondContact O-CA 3.07Å; M149-L182 PolarHBondContact O-N 2.92Å; M149-F245 HydrophobicContact CE-CB 4.18Å; M149-F245 HydrophobicContact CE-CD1 3.29Å; M149-F245 HydrophobicContact CE-CE1 3.82Å; M149-F245 HydrophobicContact CE-CG 3.8Å; M149-F245 HydrophobicContact SD-CB 3.6Å; M149-F245 HydrophobicContact SD-CD1 3.83Å; M149-F245 HydrophobicContact SD-CG 3.93Å; M149-V253 HydrophobicContact CE-CB 4.46Å; M149-V253 HydrophobicContact CE-CG1 4.12Å; M149-L258 HydrophobicContact CE-CD2 4.32Å; M149-L258 HydrophobicContact SD-CD2 4.2Å
150	V	98.7	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.8	-174.9	179.9	0	0	0	0	108.6	I148 L182 L184 F230 I244 F245 K246 G247	I148-V150 HydrophobicContact CG1-CG2 4.21Å; I148-V150 HydrophobicContact CG2-CG2 3.98Å; V150-L182 WeakPolarHBondContact CA-O 3.35Å; V150-L184 HydrophobicContact CG1-CD1 3.5Å; V150-L184 HydrophobicContact CG1-CD2 3.83Å; V150-L184 HydrophobicContact CG1-CG 3.65Å; V150-F230 HydrophobicContact CB-CE2 4.28Å; V150-F230 HydrophobicContact CB-CZ 4.19Å; V150-F230 HydrophobicContact CG1-CD1 4.3Å; V150-F230 HydrophobicContact CG1-CD2 3.83Å; V150-F230 HydrophobicContact CG1-CE1 4.18Å; V150-F230 HydrophobicContact CG1-CE2 3.7Å; V150-F230 HydrophobicContact CG1-CG 4.15Å; V150-F230 HydrophobicContact CG1-CZ 3.91Å; V150-F230 HydrophobicContact CG2-CE1 4.32Å; V150-F230 HydrophobicContact CG2-CE2 3.59Å; V150-F230 HydrophobicContact CG2-CZ 3.49Å; V150-F230 VanDerWaalsContact CG2-CZ 3.49Å; V150-I244 HydrophobicContact CB-CG2 4.32Å; V150-I244 HydrophobicContact CG2-CG2 3.82Å; V150-F245 PolarHBondContact N-O 3.42Å; V150-K246 VanDerWaalsContact O-CA 3.29Å; V150-K246 WeakPolarHBondContact O-CA 3.34Å; V150-G247 PolarHBondContact O-N 3.16Å; V150-G247 VanDerWaalsContact O-N 3.1Å
151	I	98.7	Very high	94.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.8	-168.5	-59.9	86.6	0	0	0	109.7	M149 S153 V164 W168 T181 L182 F183 L184 G247 D249	M149-I151 HydrophobicContact CB-CD1 3.88Å; I151-S153 PolarHBondContact O-N 3.16Å; I151-V164 HydrophobicContact CD1-CG1 4.47Å; I151-V164 HydrophobicContact CG1-CG1 4.38Å; I151-W168 HydrophobicContact CD1-CH2 4.28Å; I151-W168 HydrophobicContact CD1-CZ3 4.07Å; I151-W168 HydrophobicContact CG1-CH2 3.46Å; I151-W168 VanDerWaalsContact CG1-CH2 3.46Å; I151-W168 HydrophobicContact CG1-CZ3 3.74Å; I151-W168 HydrophobicContact CG2-CH2 4.46Å; I151-T181 HydrophobicContact CD1-CG2 3.55Å; I151-L182 PolarHBondContact N-O 3Å; I151-F183 HydrophobicContact CB-CD1 3.59Å; I151-F183 HydrophobicContact CB-CE1 3.79Å; I151-F183 HydrophobicContact CD1-CE1 4.3Å; I151-F183 HydrophobicContact CG1-CD1 4.39Å; I151-F183 HydrophobicContact CG1-CE1 4.15Å; I151-F183 HydrophobicContact CG2-CD1 3.77Å; I151-F183 HydrophobicContact CG2-CE1 3.82Å; I151-F183 CarbonylContact O-C 3.58Å; I151-F183 WeakPolarHBondContact O-CA 3.39Å; I151-L184 PolarHBondContact O-N 2.83Å; I151-G247 CarbonylContact C-O 3.44Å; I151-G247 WeakPolarHBondContact CA-O 3.15Å; I151-D249 HydrophobicContact CG2-CB 3.79Å
152	K	98.6	Very high	94.7	Very high	12 Å²	12	33.7 Å²	33.7	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.3	169.5	-64.2	179.3	-56.7	-169.9	0	108.3	K226 G247 D248 D249 D336 D337	K152-K226 HydrophobicContact CB-CD 4.48Å; K152-K226 HydrophobicContact CG-CD 4.36Å; K152-G247 PolarHBondContact N-O 2.93Å; K152-D248 WeakPolarHBondContact CE-OD1 3.32Å; K152-D248 IonicContact NZ-OD1 3.82Å; K152-D248 PolarHBondContact NZ-OD1 3.45Å; K152-D249 PolarHBondContact O-N 2.99Å; K152-D336 IonicContact NZ-OD2 2.66Å; K152-D336 PolarHBondContact NZ-OD2 3.42Å; K152-D337 IonicContact NZ-OD1 2.76Å
153	S	98.3	Very high	96	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	14%	0.14	C	C	.	.			trans	-137.8	163.1	177.4	177.5	0	0	0	0	108.9	I151 R161 L184 K226 D249	I151-S153 PolarHBondContact O-N 3.16Å; S153-R161 WeakPolarHBondContact OG-CG 3.42Å; S153-R161 PolarHBondContact OG-NH1 3.15Å; S153-L184 PolarHBondContact N-O 3.27Å; S153-K226 PolarHBondContact O-NZ 3.15Å; S153-D249 PolarHBondContact OG-OD2 3.02Å
154	V	97.6	Very high	97.3	Very high	44 Å²	44	26.8 Å²	26.8	27%	0.267	13%	0.129	S	C	.	.			trans	-110.9	161.4	167.2	-58.1	0	0	0	0	110.4	E156 Q157 R161	V154-E156 VanDerWaalsContact CG2-OE2 3.23Å; V154-E156 WeakPolarHBondContact CG2-OE2 3.4Å; V154-E156 PolarHBondContact O-N 3.35Å; V154-E156 VanDerWaalsContact O-N 3.11Å; V154-Q157 HydrophobicContact CG2-CB 4.33Å; V154-Q157 HydrophobicContact CG2-CG 3.43Å; V154-Q157 VanDerWaalsContact CG2-CG 3.43Å; V154-Q157 PolarHBondContact O-N 3.24Å; V154-Q157 VanDerWaalsContact O-N 3.14Å; V154-R161 PolarHBondContact O-NH1 3.31Å
155	I	96.6	Very high	97.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.5	-170.1	-156	176.4	0	0	0	112.8	Q157 H158 R161 L185 P188 L197 I201	I155-Q157 PolarHBondContact O-N 3.29Å; I155-H158 PolarHBondContact O-NE2 3.05Å; I155-R161 PolarHBondContact O-NH2 3.1Å; I155-L185 HydrophobicContact CB-CD2 4.49Å; I155-L185 HydrophobicContact CG1-CD2 4.35Å; I155-P188 HydrophobicContact CD1-CG 4.43Å; I155-P188 HydrophobicContact CG2-CB 3.82Å; I155-P188 HydrophobicContact CG2-CG 4.29Å; I155-L197 HydrophobicContact CD1-CB 4.02Å; I155-L197 HydrophobicContact CG1-CB 4.48Å; I155-L197 HydrophobicContact CG2-CB 4.39Å; I155-L197 HydrophobicContact CG2-CD1 4.13Å; I155-I201 HydrophobicContact CD1-CG1 3.78Å; I155-I201 HydrophobicContact CG1-CB 4.45Å; I155-I201 HydrophobicContact CG1-CD1 3.84Å; I155-I201 HydrophobicContact CG1-CG1 3.24Å
156	E	95.8	Very high	98	Very high	54 Å²	54	27.6 Å²	27.6	25%	0.252	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.7	-174.9	-53.1	82.5	172.6	0	0	114.5	V154 H158 K192 L197	V154-E156 VanDerWaalsContact CG2-OE2 3.23Å; V154-E156 WeakPolarHBondContact CG2-OE2 3.4Å; V154-E156 PolarHBondContact O-N 3.35Å; V154-E156 VanDerWaalsContact O-N 3.11Å; E156-H158 PolarHBondContact O-CD2 2.97Å; E156-H158 PolarHBondContact O-N 2.84Å; E156-K192 HydrophobicContact CG-CD 4.43Å; E156-K192 WeakPolarHBondContact OE1-CD 3.38Å; E156-K192 WeakPolarHBondContact OE1-CE 3.25Å; E156-K192 IonicContact OE1-NZ 2.67Å; E156-K192 PolarHBondContact OE1-NZ 2.88Å; E156-K192 IonicContact OE2-NZ 2.6Å; E156-L197 HydrophobicContact CG-CD1 4.15Å; E156-L197 HydrophobicContact CG-CD2 4.14Å
157	Q	97.3	Very high	98.1	Very high	54 Å²	54	27 Å²	27	25%	0.252	13%	0.127	S	C	.	.			trans	-84.7	51.2	-170.6	-62.3	-68.5	-11.7	0	0	113.1	V154 I155 D159 R160 R161 D249	V154-Q157 HydrophobicContact CG2-CB 4.33Å; V154-Q157 HydrophobicContact CG2-CG 3.43Å; V154-Q157 VanDerWaalsContact CG2-CG 3.43Å; V154-Q157 PolarHBondContact O-N 3.24Å; V154-Q157 VanDerWaalsContact O-N 3.14Å; I155-Q157 PolarHBondContact O-N 3.29Å; Q157-D159 VanDerWaalsContact C-N 3.31Å; Q157-D159 PolarHBondContact O-N 2.9Å; Q157-R160 HydrophobicContact CB-CB 4.13Å; Q157-R160 HydrophobicContact CB-CG 4.18Å; Q157-R160 PolarHBondContact O-N 2.81Å; Q157-R160 VanDerWaalsContact OE1-CD 3.28Å; Q157-R161 WeakPolarHBondContact O-CG 3.22Å; Q157-R161 PolarHBondContact O-N 3.4Å; Q157-R161 VanDerWaalsContact O-N 3.15Å; Q157-R161 PolarHBondContact O-NH1 3.33Å; Q157-D249 WeakPolarHBondContact CB-OD2 2.92Å
158	H	97	Very high	98.1	Very high	53 Å²	53	27 Å²	27	25%	0.245	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-40	179.9	-61.3	-87.4	0	0	0	112.4	I155 E156 R161 E162 E204	I155-H158 PolarHBondContact O-NE2 3.05Å; E156-H158 PolarHBondContact O-CD2 2.97Å; E156-H158 PolarHBondContact O-N 2.84Å; H158-R161 PolarHBondContact CE1-NH2 3.14Å; H158-R161 PolarHBondContact ND1-NH2 3.43Å; H158-R161 PolarHBondContact O-N 3.22Å; H158-E162 WeakPolarHBondContact O-CB 3.44Å; H158-E162 PolarHBondContact O-N 3.45Å; H158-E204 IonicContact CE1-OE2 3.3Å; H158-E204 PolarHBondContact CE1-OE2 2.72Å; H158-E204 IonicContact CG-OE2 3.43Å; H158-E204 IonicContact ND1-OE2 3.56Å; H158-E204 PolarHBondContact ND1-OE2 3.32Å
159	D	98.1	Very high	98.1	Very high	92 Å²	92	27.1 Å²	27.1	49%	0.492	13%	0.128	S	C	.	.	H	α-helix	trans	-66.8	-38.5	-179.5	66.6	-33.9	0	0	0	112.4	Q157 A163 A388	Q157-D159 VanDerWaalsContact C-N 3.31Å; Q157-D159 PolarHBondContact O-N 2.9Å; D159-A163 WeakPolarHBondContact O-CB 3.5Å; D159-A163 PolarHBondContact O-N 2.72Å; D159-A388 HydrophobicContact CB-CB 4.28Å
160	R	98.6	Very high	98.1	Very high	55 Å²	55	32.8 Å²	32.8	21%	0.208	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-49.2	174.1	-62.7	-170.9	-179.3	-165.4	-9.8	111.4	Q157 E162 A163 V164 D249 D250 A388	Q157-R160 HydrophobicContact CB-CB 4.13Å; Q157-R160 HydrophobicContact CB-CG 4.18Å; Q157-R160 PolarHBondContact O-N 2.81Å; Q157-R160 VanDerWaalsContact OE1-CD 3.28Å; R160-E162 VanDerWaalsContact C-N 3.29Å; R160-E162 PolarHBondContact O-N 3.48Å; R160-A163 PolarHBondContact O-N 3.49Å; R160-A163 VanDerWaalsContact O-N 3.15Å; R160-V164 WeakPolarHBondContact O-CG2 3.5Å; R160-V164 PolarHBondContact O-N 3.35Å; R160-D249 HydrophobicContact CB-CB 4.07Å; R160-D249 WeakPolarHBondContact CD-OD1 3.32Å; R160-D249 IonicContact CZ-OD1 3.49Å; R160-D249 IonicContact NE-OD1 3.2Å; R160-D249 IonicContact NH1-OD1 2.76Å; R160-D249 PolarHBondContact NH1-OD1 3.44Å; R160-D250 IonicContact NH1-OD2 3.54Å; R160-A388 HydrophobicContact CG-CB 4.38Å
161	R	98.8	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-44.6	176.9	-67.2	-166.7	-66.6	-80.9	2.4	111.3	S153 V154 I155 Q157 H158 A163 V164 R165 F183 E204	S153-R161 WeakPolarHBondContact OG-CG 3.42Å; S153-R161 PolarHBondContact OG-NH1 3.15Å; V154-R161 PolarHBondContact O-NH1 3.31Å; I155-R161 PolarHBondContact O-NH2 3.1Å; Q157-R161 WeakPolarHBondContact O-CG 3.22Å; Q157-R161 PolarHBondContact O-N 3.4Å; Q157-R161 VanDerWaalsContact O-N 3.15Å; Q157-R161 PolarHBondContact O-NH1 3.33Å; H158-R161 PolarHBondContact CE1-NH2 3.14Å; H158-R161 PolarHBondContact ND1-NH2 3.43Å; H158-R161 PolarHBondContact O-N 3.22Å; R161-A163 PolarHBondContact O-N 3.13Å; R161-V164 WeakPolarHBondContact O-CB 3.47Å; R161-V164 PolarHBondContact O-N 3.27Å; R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.43Å; R161-F183 HydrophobicContact CB-CD1 4.25Å; R161-F183 HydrophobicContact CB-CE1 3.88Å; R161-F183 HydrophobicContact CB-CE2 4.16Å; R161-F183 HydrophobicContact CB-CZ 3.83Å; R161-F183 HydrophobicContact CG-CD1 3.54Å; R161-F183 HydrophobicContact CG-CD2 4.34Å; R161-F183 HydrophobicContact CG-CE1 3.63Å; R161-F183 HydrophobicContact CG-CE2 4.4Å; R161-F183 HydrophobicContact CG-CG 3.93Å; R161-F183 HydrophobicContact CG-CZ 4.06Å; R161-E204 IonicContact CZ-OE1 2.75Å; R161-E204 IonicContact CZ-OE2 3.68Å; R161-E204 IonicContact NE-OE1 2.66Å; R161-E204 PolarHBondContact NE-OE1 3.19Å; R161-E204 IonicContact NE-OE2 3.94Å; R161-E204 PolarHBondContact NE-OE2 3.02Å; R161-E204 IonicContact NH2-OE1 3.73Å; R161-E204 IonicContact NH2-OE2 3.89Å; R161-E204 PolarHBondContact NH2-OE2 2.98Å
162	E	98.6	Very high	97.8	Very high	45 Å²	45	40 Å²	40	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-40.8	176.4	-177.8	62.2	-172.3	0	0	112.7	H158 R160 R165 K166 Y208	H158-E162 WeakPolarHBondContact O-CB 3.44Å; H158-E162 PolarHBondContact O-N 3.45Å; R160-E162 VanDerWaalsContact C-N 3.29Å; R160-E162 PolarHBondContact O-N 3.48Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE2-NH1 3.8Å; E162-K166 HydrophobicContact CG-CD 4.29Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.26Å; E162-K166 PolarHBondContact O-N 2.88Å; E162-K166 WeakPolarHBondContact OE1-CE 3.39Å; E162-K166 IonicContact OE1-NZ 3.54Å; E162-K166 PolarHBondContact OE1-NZ 2.95Å; E162-Y208 PolarHBondContact OE1-OH 2.99Å; E162-Y208 VanDerWaalsContact OE2-CZ 3.3Å; E162-Y208 PolarHBondContact OE2-OH 2.97Å
163	A	98.8	Very high	97.7	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-41.6	174.5	0	0	0	0	0	111.7	D159 R160 R161 K166 T167 A388 L391 L392	D159-A163 WeakPolarHBondContact O-CB 3.5Å; D159-A163 PolarHBondContact O-N 2.72Å; R160-A163 PolarHBondContact O-N 3.49Å; R160-A163 VanDerWaalsContact O-N 3.15Å; R161-A163 PolarHBondContact O-N 3.13Å; A163-K166 PolarHBondContact O-N 2.92Å; A163-T167 WeakPolarHBondContact O-CB 3.43Å; A163-T167 VanDerWaalsContact O-CG2 3.32Å; A163-T167 WeakPolarHBondContact O-CG2 3.45Å; A163-T167 PolarHBondContact O-N 3.33Å; A163-T167 VanDerWaalsContact O-N 3.12Å; A163-T167 PolarHBondContact O-OG1 2.99Å; A163-A388 HydrophobicContact CB-CB 3.89Å; A163-L391 HydrophobicContact CB-CD2 4.03Å; A163-L392 HydrophobicContact CB-CD1 4.33Å; A163-L392 HydrophobicContact CB-CD2 4.41Å; A163-L392 HydrophobicContact CB-CG 4.08Å
164	V	98.8	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-48	174.1	170.4	0	0	0	0	110.9	I151 R160 R161 K166 T167 W168 G169 F183 L391	I151-V164 HydrophobicContact CD1-CG1 4.47Å; I151-V164 HydrophobicContact CG1-CG1 4.38Å; R160-V164 WeakPolarHBondContact O-CG2 3.5Å; R160-V164 PolarHBondContact O-N 3.35Å; R161-V164 WeakPolarHBondContact O-CB 3.47Å; R161-V164 PolarHBondContact O-N 3.27Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 2.89Å; V164-T167 CarbonylContact O-C 3.55Å; V164-T167 PolarHBondContact O-N 3.15Å; V164-T167 VanDerWaalsContact O-N 3.07Å; V164-T167 PolarHBondContact O-OG1 3.02Å; V164-W168 HydrophobicContact CB-CZ2 4.25Å; V164-W168 HydrophobicContact CG1-CD2 4.12Å; V164-W168 HydrophobicContact CG1-CE3 4.09Å; V164-W168 HydrophobicContact CG1-CH2 3.82Å; V164-W168 HydrophobicContact CG1-CZ2 3.81Å; V164-W168 HydrophobicContact CG1-CZ3 3.93Å; V164-W168 HydrophobicContact CG2-CH2 4.15Å; V164-W168 HydrophobicContact CG2-CZ2 3.45Å; V164-W168 VanDerWaalsContact CG2-CZ2 3.45Å; V164-W168 PolarHBondContact O-N 2.77Å; V164-G169 WeakPolarHBondContact O-CA 3.27Å; V164-G169 PolarHBondContact O-N 2.93Å; V164-F183 HydrophobicContact CB-CE1 4.14Å; V164-F183 HydrophobicContact CB-CZ 3.99Å; V164-F183 HydrophobicContact CG1-CE1 3.98Å; V164-F183 HydrophobicContact CG1-CZ 3.79Å; V164-L391 HydrophobicContact CG2-CD2 4.22Å
165	R	98.7	Very high	97.4	Very high	24 Å²	24	49.6 Å²	49.6	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-38.8	176.9	-70.8	-178.9	-170.1	110.2	3	113	R161 E162 T167 K170 F183 E204 Y208 D210	R161-R165 WeakPolarHBondContact O-CG 3.46Å; R161-R165 PolarHBondContact O-N 3.43Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE2-NH1 3.8Å; R165-T167 VanDerWaalsContact C-N 3.28Å; R165-T167 PolarHBondContact O-N 3.05Å; R165-K170 WeakPolarHBondContact O-CA 3.45Å; R165-K170 WeakPolarHBondContact O-CB 3.23Å; R165-F183 HydrophobicContact CG-CE2 4.06Å; R165-F183 HydrophobicContact CG-CZ 4.26Å; R165-E204 IonicContact CZ-OE1 3.24Å; R165-E204 IonicContact NH1-OE1 2.81Å; R165-E204 PolarHBondContact NH1-OE1 3.35Å; R165-E204 IonicContact NH2-OE1 3.83Å; R165-E204 PolarHBondContact NH2-OE1 3.03Å; R165-Y208 VanDerWaalsContact CD-CD1 3.47Å; R165-D210 IonicContact CZ-OD1 2.75Å; R165-D210 IonicContact CZ-OD2 3.51Å; R165-D210 IonicContact NE-OD1 2.79Å; R165-D210 PolarHBondContact NE-OD1 3.24Å; R165-D210 IonicContact NE-OD2 2.93Å; R165-D210 PolarHBondContact NE-OD2 3.35Å; R165-D210 IonicContact NH2-OD1 2.73Å; R165-D210 PolarHBondContact NH2-OD1 3.17Å; R165-D210 IonicContact NH2-OD2 3.88Å
166	K	98.5	Very high	97.3	Very high	124 Å²	124	53 Å²	53	54%	0.539	27%	0.271	S	S	.	.	H	α-helix	trans	-75.2	-14.8	178	-76.3	176.4	172.5	147.1	0	113.8	E162 A163 V164 L392	E162-K166 HydrophobicContact CG-CD 4.29Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.26Å; E162-K166 PolarHBondContact O-N 2.88Å; E162-K166 WeakPolarHBondContact OE1-CE 3.39Å; E162-K166 IonicContact OE1-NZ 3.54Å; E162-K166 PolarHBondContact OE1-NZ 2.95Å; A163-K166 PolarHBondContact O-N 2.92Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 2.89Å; K166-L392 HydrophobicContact CB-CD2 3.99Å; K166-L392 HydrophobicContact CD-CD2 4.42Å
167	T	98.6	Very high	97.3	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-113.5	-172.8	61.5	0	0	0	0	111.6	A163 V164 R165 K170 L391 L392 W395	A163-T167 WeakPolarHBondContact O-CB 3.43Å; A163-T167 VanDerWaalsContact O-CG2 3.32Å; A163-T167 WeakPolarHBondContact O-CG2 3.45Å; A163-T167 PolarHBondContact O-N 3.33Å; A163-T167 VanDerWaalsContact O-N 3.12Å; A163-T167 PolarHBondContact O-OG1 2.99Å; V164-T167 CarbonylContact O-C 3.55Å; V164-T167 PolarHBondContact O-N 3.15Å; V164-T167 VanDerWaalsContact O-N 3.07Å; V164-T167 PolarHBondContact O-OG1 3.02Å; R165-T167 VanDerWaalsContact C-N 3.28Å; R165-T167 PolarHBondContact O-N 3.05Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 3.37Å; T167-L391 HydrophobicContact CG2-CG 4.44Å; T167-L392 HydrophobicContact CG2-CD2 3.78Å; T167-W395 HydrophobicContact CG2-CB 3.58Å; T167-W395 HydrophobicContact CG2-CD2 4Å; T167-W395 HydrophobicContact CG2-CG 3.46Å; T167-W395 VanDerWaalsContact CG2-CG 3.46Å
168	W	98.2	Very high	97.2	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.1	-169.4	57	-98.7	0	0	0	114.4	M149 I151 V164 K170 F245 V251 V253 T255 W395	M149-W168 HydrophobicContact CE-CE3 3.55Å; M149-W168 HydrophobicContact CE-CZ3 3.67Å; I151-W168 HydrophobicContact CD1-CH2 4.28Å; I151-W168 HydrophobicContact CD1-CZ3 4.07Å; I151-W168 HydrophobicContact CG1-CH2 3.46Å; I151-W168 VanDerWaalsContact CG1-CH2 3.46Å; I151-W168 HydrophobicContact CG1-CZ3 3.74Å; I151-W168 HydrophobicContact CG2-CH2 4.46Å; V164-W168 HydrophobicContact CB-CZ2 4.25Å; V164-W168 HydrophobicContact CG1-CD2 4.12Å; V164-W168 HydrophobicContact CG1-CE3 4.09Å; V164-W168 HydrophobicContact CG1-CH2 3.82Å; V164-W168 HydrophobicContact CG1-CZ2 3.81Å; V164-W168 HydrophobicContact CG1-CZ3 3.93Å; V164-W168 HydrophobicContact CG2-CH2 4.15Å; V164-W168 HydrophobicContact CG2-CZ2 3.45Å; V164-W168 VanDerWaalsContact CG2-CZ2 3.45Å; V164-W168 PolarHBondContact O-N 2.77Å; W168-K170 VanDerWaalsContact C-N 3.32Å; W168-F245 HydrophobicContact CH2-CE1 4.48Å; W168-F245 HydrophobicContact CZ3-CE1 4.14Å; W168-V251 HydrophobicContact CH2-CG2 4.06Å; W168-V251 HydrophobicContact CZ2-CG2 3.63Å; W168-V251 PolarHBondContact NE1-O 2.99Å; W168-V253 HydrophobicContact CB-CB 4.01Å; W168-V253 WeakPolarHBondContact CB-O 3.4Å; W168-V253 HydrophobicContact CD2-CB 3.85Å; W168-V253 HydrophobicContact CD2-CG2 3.71Å; W168-V253 HydrophobicContact CE3-CB 3.92Å; W168-V253 HydrophobicContact CE3-CG2 3.67Å; W168-V253 HydrophobicContact CG-CB 3.92Å; W168-V253 HydrophobicContact CG-CG2 4.25Å; W168-V253 HydrophobicContact CH2-CG2 4.15Å; W168-V253 HydrophobicContact CZ2-CG2 4.2Å; W168-V253 HydrophobicContact CZ3-CG2 3.91Å; W168-T255 PolarHBondContact O-OG1 2.65Å; W168-W395 HydrophobicContact CB-CE3 4.3Å; W168-W395 HydrophobicContact CB-CH2 3.97Å; W168-W395 HydrophobicContact CB-CZ3 3.6Å
169	G	97.9	Very high	97.3	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	9.2	175.4	0	0	0	0	0	113.4	V164 E171 T181	V164-G169 WeakPolarHBondContact O-CA 3.27Å; V164-G169 PolarHBondContact O-N 2.93Å; G169-E171 PolarHBondContact O-N 2.87Å; G169-T181 WeakPolarHBondContact O-CB 3.39Å; G169-T181 PolarHBondContact O-OG1 3.18Å
170	K	97.7	Very high	97.2	Very high	120 Å²	120	48.4 Å²	48.4	52%	0.522	24%	0.244	S	C	.	.			trans	-62.2	120.8	175.8	-174.5	173.8	-178.7	175.3	0	110.4	R165 T167 W168 R172	R165-K170 WeakPolarHBondContact O-CA 3.45Å; R165-K170 WeakPolarHBondContact O-CB 3.23Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 3.37Å; W168-K170 VanDerWaalsContact C-N 3.32Å; K170-R172 PolarHBondContact O-N 3Å
171	E	96.4	Very high	97.2	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.271	24%	0.235	S	C	.	.			trans	-64.2	126.7	172.9	-59.7	-161.1	161.3	0	0	110.6	K139 G169 K180 T181	K139-E171 IonicContact NZ-OE1 3.29Å; K139-E171 PolarHBondContact NZ-OE1 3.14Å; K139-E171 IonicContact NZ-OE2 3.19Å; K139-E171 PolarHBondContact NZ-OE2 2.71Å; G169-E171 PolarHBondContact O-N 2.87Å; E171-K180 HydrophobicContact CG-CD 4.28Å; E171-K180 WeakPolarHBondContact OE1-CD 3.34Å; E171-K180 WeakPolarHBondContact OE2-CD 3.32Å; E171-K180 IonicContact OE2-NZ 3.4Å; E171-K180 PolarHBondContact OE2-NZ 2.88Å; E171-T181 PolarHBondContact OE1-N 3.23Å
172	R	95.8	Very high	97.2	Very high	93 Å²	93	45.8 Å²	45.8	35%	0.351	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	168.2	-178.8	57.6	-173.2	170.3	165.7	2.4	110.8	K170 I174 I179	K170-R172 PolarHBondContact O-N 3Å; R172-I174 HydrophobicContact CG-CD1 4.23Å; R172-I174 HydrophobicContact CG-CG1 3.91Å; R172-I179 PolarHBondContact N-O 3.27Å; R172-I179 WeakPolarHBondContact O-CB 3.27Å; R172-I179 PolarHBondContact O-N 3Å
173	T	95.9	Very high	97.2	Very high	90 Å²	90	43.7 Å²	43.7	55%	0.552	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.4	167.4	-59.4	0	0	0	0	108.6	K177	T173-K177 WeakPolarHBondContact CA-O 3.3Å
174	I	95.3	Very high	97.2	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.138	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.3	176.5	-52.4	179.8	0	0	0	107.4	R172 G176 K177 I179 T255 L259	R172-I174 HydrophobicContact CG-CD1 4.23Å; R172-I174 HydrophobicContact CG-CG1 3.91Å; I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.39Å; I174-K177 PolarHBondContact N-O 3.15Å; I174-K177 VanDerWaalsContact O-CB 3.27Å; I174-K177 WeakPolarHBondContact O-CB 3.06Å; I174-K177 PolarHBondContact O-N 3.44Å; I174-I179 HydrophobicContact CD1-CD1 3.81Å; I174-I179 HydrophobicContact CG1-CD1 4.16Å; I174-T255 HydrophobicContact CD1-CG2 4.21Å; I174-L259 HydrophobicContact CB-CD1 3.81Å; I174-L259 HydrophobicContact CD1-CD1 3.96Å; I174-L259 HydrophobicContact CG1-CD1 4.34Å; I174-L259 HydrophobicContact CG2-CD1 4.16Å
175	N	93.8	Very high	97.2	Very high	144 Å²	144	43.6 Å²	43.6	77%	0.77	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	45.8	-179.4	-57.9	-13.8	0	0	0	112.8	K177	N175-K177 PolarHBondContact O-N 3.16Å
176	G	93.9	Very high	97.2	Very high	71 Å²	71	42.4 Å²	42.4	73%	0.732	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-8.4	-177.1	0	0	0	0	0	115.6	I174 K178	I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.39Å; G176-K178 PolarHBondContact O-N 2.84Å
177	K	95.9	Very high	97.1	Very high	51 Å²	51	37.7 Å²	37.7	22%	0.222	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.8	179.1	-61.4	173.7	173.9	-173.4	0	110.4	H146 T173 I174 N175 L259	H146-K177 HydrophobicContact CB-CB 3.92Å; H146-K177 HydrophobicContact CB-CG 4.41Å; H146-K177 WeakPolarHBondContact NE2-CD 3.47Å; T173-K177 WeakPolarHBondContact CA-O 3.3Å; I174-K177 PolarHBondContact N-O 3.15Å; I174-K177 VanDerWaalsContact O-CB 3.27Å; I174-K177 WeakPolarHBondContact O-CB 3.06Å; I174-K177 PolarHBondContact O-N 3.44Å; N175-K177 PolarHBondContact O-N 3.16Å; K177-L259 HydrophobicContact CB-CD1 4.45Å; K177-L259 HydrophobicContact CB-CD2 4.49Å; K177-L259 HydrophobicContact CD-CB 4.38Å; K177-L259 HydrophobicContact CD-CD1 4.35Å; K177-L259 HydrophobicContact CD-CD2 4.11Å; K177-L259 PolarHBondContact NZ-O 3.1Å
178	K	96.8	Very high	96.8	Very high	58 Å²	58	38 Å²	38	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125	178	-170.8	-179.8	-172.6	-178.7	0	110.4	D142 V145 H146 L147 G176	D142-K178 PolarHBondContact O-NZ 3.27Å; V145-K178 HydrophobicContact CG2-CD 4.37Å; H146-K178 PolarHBondContact N-O 3.01Å; L147-K178 PolarHBondContact N-O 3.08Å; G176-K178 PolarHBondContact O-N 2.84Å
179	I	97.4	Very high	96.4	Very high	3 Å²	3	40 Å²	40	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.8	178.7	-49.2	174.9	0	0	0	109.8	L147 M149 R172 I174 T255 L259	L147-I179 VanDerWaalsContact O-CA 3.31Å; L147-I179 WeakPolarHBondContact O-CA 3.11Å; M149-I179 HydrophobicContact CG-CG2 3.73Å; M149-I179 HydrophobicContact SD-CG2 4.45Å; R172-I179 PolarHBondContact N-O 3.27Å; R172-I179 WeakPolarHBondContact O-CB 3.27Å; R172-I179 PolarHBondContact O-N 3Å; I174-I179 HydrophobicContact CD1-CD1 3.81Å; I174-I179 HydrophobicContact CG1-CD1 4.16Å; I179-T255 HydrophobicContact CD1-CG2 3.51Å; I179-L259 HydrophobicContact CD1-CD1 3.89Å; I179-L259 HydrophobicContact CD1-CD2 4.48Å; I179-L259 HydrophobicContact CD1-CG 4.48Å
180	K	97.5	Very high	95.7	Very high	45 Å²	45	46.3 Å²	46.3	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.2	174.8	-70.4	-60.1	-165	-178.9	0	111	V145 L147 I148 M149 E171	V145-K180 HydrophobicContact CG1-CB 4.12Å; V145-K180 HydrophobicContact CG1-CG 4.07Å; V145-K180 HydrophobicContact CG2-CG 3.8Å; L147-K180 PolarHBondContact O-N 3.11Å; I148-K180 CarbonylContact C-O 3.51Å; I148-K180 WeakPolarHBondContact CA-O 3.45Å; I148-K180 HydrophobicContact CG1-CB 4.33Å; M149-K180 PolarHBondContact N-O 3.08Å; E171-K180 HydrophobicContact CG-CD 4.28Å; E171-K180 WeakPolarHBondContact OE1-CD 3.34Å; E171-K180 WeakPolarHBondContact OE2-CD 3.32Å; E171-K180 IonicContact OE2-NZ 3.4Å; E171-K180 PolarHBondContact OE2-NZ 2.88Å
181	T	98.3	Very high	95	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.5	-175.7	-60.9	0	0	0	0	110.4	M149 I151 G169 E171 F183 D210	M149-T181 HydrophobicContact CB-CG2 4.44Å; M149-T181 CarbonylContact O-C 3.55Å; M149-T181 WeakPolarHBondContact O-CA 3.07Å; I151-T181 HydrophobicContact CD1-CG2 3.55Å; G169-T181 WeakPolarHBondContact O-CB 3.39Å; G169-T181 PolarHBondContact O-OG1 3.18Å; E171-T181 PolarHBondContact OE1-N 3.23Å; T181-F183 HydrophobicContact CG2-CE2 4.1Å; T181-F183 HydrophobicContact CG2-CZ 4.25Å; T181-D210 WeakPolarHBondContact O-CB 3.39Å
182	L	98.7	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139	173.7	-71.6	175	0	0	0	110.1	K139 I148 M149 V150 I151 D210 L212 W233	K139-L182 HydrophobicContact CB-CD2 4.39Å; K139-L182 HydrophobicContact CG-CD2 3.97Å; I148-L182 HydrophobicContact CD1-CD1 3.49Å; I148-L182 VanDerWaalsContact CD1-CD1 3.49Å; I148-L182 HydrophobicContact CD1-CG 4.09Å; I148-L182 HydrophobicContact CG1-CD1 4.33Å; M149-L182 PolarHBondContact O-N 2.92Å; V150-L182 WeakPolarHBondContact CA-O 3.35Å; I151-L182 PolarHBondContact N-O 3Å; L182-D210 CarbonylContact C-O 3.58Å; L182-D210 WeakPolarHBondContact CA-O 3.35Å; L182-L212 HydrophobicContact CD1-CD1 3.94Å; L182-L212 HydrophobicContact CD1-CG 4.34Å; L182-L212 HydrophobicContact CD2-CD2 4.34Å; L182-L212 HydrophobicContact CD2-CG 4.2Å; L182-W233 HydrophobicContact CD1-CE3 4.5Å; L182-W233 HydrophobicContact CD1-CH2 3.67Å; L182-W233 HydrophobicContact CD1-CZ3 3.59Å
183	F	98.9	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.3	170.7	-63.8	-80.8	0	0	0	110.3	I151 R161 V164 R165 T181 L185 D210 L212	I151-F183 HydrophobicContact CB-CD1 3.59Å; I151-F183 HydrophobicContact CB-CE1 3.79Å; I151-F183 HydrophobicContact CD1-CE1 4.3Å; I151-F183 HydrophobicContact CG1-CD1 4.39Å; I151-F183 HydrophobicContact CG1-CE1 4.15Å; I151-F183 HydrophobicContact CG2-CD1 3.77Å; I151-F183 HydrophobicContact CG2-CE1 3.82Å; I151-F183 CarbonylContact O-C 3.58Å; I151-F183 WeakPolarHBondContact O-CA 3.39Å; R161-F183 HydrophobicContact CB-CD1 4.25Å; R161-F183 HydrophobicContact CB-CE1 3.88Å; R161-F183 HydrophobicContact CB-CE2 4.16Å; R161-F183 HydrophobicContact CB-CZ 3.83Å; R161-F183 HydrophobicContact CG-CD1 3.54Å; R161-F183 HydrophobicContact CG-CD2 4.34Å; R161-F183 HydrophobicContact CG-CE1 3.63Å; R161-F183 HydrophobicContact CG-CE2 4.4Å; R161-F183 HydrophobicContact CG-CG 3.93Å; R161-F183 HydrophobicContact CG-CZ 4.06Å; V164-F183 HydrophobicContact CB-CE1 4.14Å; V164-F183 HydrophobicContact CB-CZ 3.99Å; V164-F183 HydrophobicContact CG1-CE1 3.98Å; V164-F183 HydrophobicContact CG1-CZ 3.79Å; R165-F183 HydrophobicContact CG-CE2 4.06Å; R165-F183 HydrophobicContact CG-CZ 4.26Å; T181-F183 HydrophobicContact CG2-CE2 4.1Å; T181-F183 HydrophobicContact CG2-CZ 4.25Å; F183-L185 HydrophobicContact CB-CD1 3.75Å; F183-D210 PolarHBondContact N-O 3.42Å; F183-L212 PolarHBondContact O-N 3.4Å
184	L	98.8	Very high	93.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116	179.6	-52.1	-174.4	0	0	0	110.1	V150 I151 S153 L212 W214 K226 F230	V150-L184 HydrophobicContact CG1-CD1 3.5Å; V150-L184 HydrophobicContact CG1-CD2 3.83Å; V150-L184 HydrophobicContact CG1-CG 3.65Å; I151-L184 PolarHBondContact O-N 2.83Å; S153-L184 PolarHBondContact N-O 3.27Å; L184-L212 HydrophobicContact CD2-CB 4.19Å; L184-L212 HydrophobicContact CD2-CD1 4.04Å; L184-L212 HydrophobicContact CD2-CG 4.5Å; L184-W214 HydrophobicContact CB-CZ3 4.23Å; L184-W214 HydrophobicContact CD2-CH2 3.9Å; L184-W214 HydrophobicContact CD2-CZ3 3.85Å; L184-K226 HydrophobicContact CB-CD 4.4Å; L184-K226 HydrophobicContact CD1-CB 4.45Å; L184-K226 PolarHBondContact O-NZ 3.03Å; L184-F230 HydrophobicContact CD1-CB 3.75Å; L184-F230 HydrophobicContact CD1-CD2 4.27Å; L184-F230 HydrophobicContact CD1-CG 3.96Å; L184-F230 HydrophobicContact CD2-CB 4.3Å; L184-F230 HydrophobicContact CD2-CD2 3.84Å; L184-F230 HydrophobicContact CD2-CG 4.32Å
185	L	98.6	Very high	93.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.5	-177.4	-81.1	67.3	0	0	0	111.4	I155 F183 I201 I211 L212 Q213 W214 K226	I155-L185 HydrophobicContact CB-CD2 4.49Å; I155-L185 HydrophobicContact CG1-CD2 4.35Å; F183-L185 HydrophobicContact CB-CD1 3.75Å; L185-I201 HydrophobicContact CD2-CD1 3.61Å; L185-I201 HydrophobicContact CD2-CG1 4.27Å; L185-I201 HydrophobicContact CD2-CG2 4.5Å; L185-I211 HydrophobicContact CD1-CG2 4.28Å; L185-I211 HydrophobicContact CD2-CG2 4.11Å; L185-L212 PolarHBondContact N-O 2.85Å; L185-Q213 HydrophobicContact CB-CB 4.31Å; L185-Q213 HydrophobicContact CB-CG 4.06Å; L185-Q213 WeakPolarHBondContact O-CA 3.36Å; L185-W214 PolarHBondContact O-N 3.27Å; L185-W214 VanDerWaalsContact O-N 3.12Å; L185-K226 VanDerWaalsContact CA-NZ 3.27Å
186	G	97.8	Very high	93.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-166.6	159.4	0	0	0	0	0	110.9	Q213 W214 F216 D218	G186-Q213 PolarHBondContact O-NE2 2.9Å; G186-W214 WeakPolarHBondContact CA-O 3.43Å; G186-F216 CarbonylContact C-O 3.48Å; G186-F216 WeakPolarHBondContact CA-O 3.39Å; G186-D218 PolarHBondContact N-OD2 3.49Å
187	T	95.9	Very high	93.5	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	153.3	169.9	55.3	0	0	0	0	111.1	L133 D215 F216 M217 D218	L133-T187 HydrophobicContact CD1-CG2 3.6Å; T187-D215 WeakPolarHBondContact CG2-OD1 3.34Å; T187-F216 PolarHBondContact N-O 2.9Å; T187-F216 PolarHBondContact OG1-O 3.44Å; T187-F216 VanDerWaalsContact OG1-O 3.09Å; T187-M217 WeakPolarHBondContact OG1-CA 3.44Å; T187-M217 PolarHBondContact OG1-N 3.03Å; T187-D218 WeakPolarHBondContact O-CB 3.41Å; T187-D218 PolarHBondContact O-N 2.75Å
188	P	93.9	Very high	93.5	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.065	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.7	153.9	179.8	20.7	-29.6	0	0	0	112.4	I155 K192 T194 L197	I155-P188 HydrophobicContact CD1-CG 4.43Å; I155-P188 HydrophobicContact CG2-CB 3.82Å; I155-P188 HydrophobicContact CG2-CG 4.29Å; P188-K192 HydrophobicContact CB-CB 4.2Å; P188-K192 HydrophobicContact CB-CD 4.33Å; P188-T194 HydrophobicContact CG-CG2 3.69Å; P188-L197 HydrophobicContact CB-CD1 4.15Å; P188-L197 HydrophobicContact CG-CD1 4.46Å
189	T	88.4	Confident	93.5	Very high	43 Å²	43	49 Å²	49	26%	0.264	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64.7	151.8	171.2	58.4	0	0	0	0	112.1	K192 M217 D218 T219	T189-K192 PolarHBondContact O-N 3.24Å; T189-K192 VanDerWaalsContact OG1-CE 3.26Å; T189-K192 WeakPolarHBondContact OG1-CE 3.47Å; T189-M217 HydrophobicContact CG2-CG 4.22Å; T189-M217 HydrophobicContact CG2-SD 4.43Å; T189-D218 WeakPolarHBondContact CG2-O 3.37Å; T189-T219 HydrophobicContact CG2-CG2 4.1Å
190	T	83.6	Confident	93.5	Very high	134 Å²	134	53.4 Å²	53.4	82%	0.822	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	140.1	176.3	-47.3	0	0	0	0	112.5
191	G	82.3	Confident	93.5	Very high	82 Å²	82	51.2 Å²	51.2	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-4.5	178.4	0	0	0	0	0	115
192	K	83	Confident	93.4	Very high	90 Å²	90	54.8 Å²	54.8	39%	0.391	30%	0.3	S	S	.	.	S	Bend	trans	-89.8	157.2	171.3	-63.9	-171.4	-176.9	178.6	0	111.8	E156 P188 T189 T194 L197	E156-K192 HydrophobicContact CG-CD 4.43Å; E156-K192 WeakPolarHBondContact OE1-CD 3.38Å; E156-K192 WeakPolarHBondContact OE1-CE 3.25Å; E156-K192 IonicContact OE1-NZ 2.67Å; E156-K192 PolarHBondContact OE1-NZ 2.88Å; E156-K192 IonicContact OE2-NZ 2.6Å; P188-K192 HydrophobicContact CB-CB 4.2Å; P188-K192 HydrophobicContact CB-CD 4.33Å; T189-K192 PolarHBondContact O-N 3.24Å; T189-K192 VanDerWaalsContact OG1-CE 3.26Å; T189-K192 WeakPolarHBondContact OG1-CE 3.47Å; K192-T194 PolarHBondContact O-N 3.49Å; K192-T194 PolarHBondContact O-OG1 3.41Å; K192-T194 VanDerWaalsContact O-OG1 3.13Å; K192-L197 HydrophobicContact CB-CD1 4.03Å; K192-L197 HydrophobicContact CD-CD1 4.46Å
193	D	88.9	Confident	93.4	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	33%	0.329	S	S	.	.			trans	-70.2	73.8	176.6	-170.4	-8.5	0	0	0	111.5	K195 N196 L197	D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.07Å; D193-N196 PolarHBondContact O-N 3.35Å; D193-N196 PolarHBondContact OD1-N 3.34Å; D193-N196 PolarHBondContact OD1-ND2 2.67Å; D193-N196 WeakPolarHBondContact OD2-CB 2.89Å; D193-N196 PolarHBondContact OD2-ND2 3.12Å; D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 VanDerWaalsContact O-CG 3.31Å; D193-L197 WeakPolarHBondContact O-CG 3.04Å; D193-L197 PolarHBondContact O-N 2.99Å
194	T	88.9	Confident	93.4	Very high	65 Å²	65	62.7 Å²	62.7	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-39.7	-170.4	-60.6	0	0	0	0	111.3	P188 K192 Q198	P188-T194 HydrophobicContact CG-CG2 3.69Å; K192-T194 PolarHBondContact O-N 3.49Å; K192-T194 PolarHBondContact O-OG1 3.41Å; K192-T194 VanDerWaalsContact O-OG1 3.13Å; T194-Q198 WeakPolarHBondContact O-CB 3.5Å; T194-Q198 PolarHBondContact O-N 3.48Å
195	K	90.6	Very high	93.4	Very high	169 Å²	169	63.3 Å²	63.3	74%	0.735	34%	0.335	S	S	*	.	H	α-helix	trans	-66.4	-44.4	-178.3	-69	-175.2	179.6	-179.9	0	111.6	D193 K199	D193-K195 VanDerWaalsContact C-N 3.28Å; D193-K195 PolarHBondContact O-N 3.07Å; K195-K199 WeakPolarHBondContact O-CG 3.15Å; K195-K199 PolarHBondContact O-N 3.47Å; K195-K199 VanDerWaalsContact O-N 3.17Å
196	N	94.1	Very high	93.4	Very high	81 Å²	81	71.6 Å²	71.6	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-75	-39.2	-179.8	-70.9	-30.8	0	0	0	111.9	D193 Q198 K199 L200	D193-N196 PolarHBondContact O-N 3.35Å; D193-N196 PolarHBondContact OD1-N 3.34Å; D193-N196 PolarHBondContact OD1-ND2 2.67Å; D193-N196 WeakPolarHBondContact OD2-CB 2.89Å; D193-N196 PolarHBondContact OD2-ND2 3.12Å; N196-Q198 VanDerWaalsContact C-N 3.32Å; N196-Q198 PolarHBondContact O-N 3.37Å; N196-K199 PolarHBondContact O-N 3.01Å; N196-L200 WeakPolarHBondContact O-CG 3.25Å; N196-L200 PolarHBondContact O-N 2.77Å
197	L	95.2	Very high	93.4	Very high	29 Å²	29	75.9 Å²	75.9	15%	0.152	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-42.7	173.7	-71.2	170	0	0	0	111.7	I155 E156 P188 K192 D193 L200 I201	I155-L197 HydrophobicContact CD1-CB 4.02Å; I155-L197 HydrophobicContact CG1-CB 4.48Å; I155-L197 HydrophobicContact CG2-CB 4.39Å; I155-L197 HydrophobicContact CG2-CD1 4.13Å; E156-L197 HydrophobicContact CG-CD1 4.15Å; E156-L197 HydrophobicContact CG-CD2 4.14Å; P188-L197 HydrophobicContact CB-CD1 4.15Å; P188-L197 HydrophobicContact CG-CD1 4.46Å; K192-L197 HydrophobicContact CB-CD1 4.03Å; K192-L197 HydrophobicContact CD-CD1 4.46Å; D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 VanDerWaalsContact O-CG 3.31Å; D193-L197 WeakPolarHBondContact O-CG 3.04Å; D193-L197 PolarHBondContact O-N 2.99Å; L197-L200 PolarHBondContact O-N 3.41Å; L197-I201 PolarHBondContact O-N 3.39Å
198	Q	96.3	Very high	93.5	Very high	31 Å²	31	78.6 Å²	78.6	15%	0.145	40%	0.396	C	S	.	.	H	α-helix	trans	-63.3	-44.8	177.5	-170.6	60.5	34.6	0	0	111.8	T194 N196 L200 I201 E202	T194-Q198 WeakPolarHBondContact O-CB 3.5Å; T194-Q198 PolarHBondContact O-N 3.48Å; N196-Q198 VanDerWaalsContact C-N 3.32Å; N196-Q198 PolarHBondContact O-N 3.37Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.35Å; Q198-I201 PolarHBondContact O-N 3.18Å; Q198-E202 WeakPolarHBondContact O-CG 3.36Å; Q198-E202 PolarHBondContact O-N 3Å
199	K	96.1	Very high	93.6	Very high	132 Å²	132	81.9 Å²	81.9	57%	0.574	41%	0.41	S	S	*	.	H	α-helix	trans	-59.8	-39.1	175.2	-74.7	176.3	179.7	-179.8	0	112.8	K195 N196 E202 Y203	K195-K199 WeakPolarHBondContact O-CG 3.15Å; K195-K199 PolarHBondContact O-N 3.47Å; K195-K199 VanDerWaalsContact O-N 3.17Å; N196-K199 PolarHBondContact O-N 3.01Å; K199-E202 PolarHBondContact O-N 3.3Å; K199-Y203 PolarHBondContact O-N 2.62Å
200	L	96.8	Very high	94.1	Very high	95 Å²	95	80.2 Å²	80.2	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-41.1	177.4	-72.8	172.8	0	0	0	111.5	N196 L197 Q198 Y203 E204	N196-L200 WeakPolarHBondContact O-CG 3.25Å; N196-L200 PolarHBondContact O-N 2.77Å; L197-L200 PolarHBondContact O-N 3.41Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.35Å; L200-Y203 PolarHBondContact O-N 2.77Å; L200-E204 WeakPolarHBondContact O-CB 3.43Å; L200-E204 PolarHBondContact O-N 3.31Å
201	I	97.8	Very high	94.8	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-42.8	174.5	-70.7	-63.7	0	0	0	112.4	I134 I155 L185 L197 Q198 Y203 E204 D205 I211	I134-I201 HydrophobicContact CD1-CG2 3.44Å; I134-I201 VanDerWaalsContact CD1-CG2 3.44Å; I155-I201 HydrophobicContact CD1-CG1 3.78Å; I155-I201 HydrophobicContact CG1-CB 4.45Å; I155-I201 HydrophobicContact CG1-CD1 3.84Å; I155-I201 HydrophobicContact CG1-CG1 3.24Å; L185-I201 HydrophobicContact CD2-CD1 3.61Å; L185-I201 HydrophobicContact CD2-CG1 4.27Å; L185-I201 HydrophobicContact CD2-CG2 4.5Å; L197-I201 PolarHBondContact O-N 3.39Å; Q198-I201 PolarHBondContact O-N 3.18Å; I201-Y203 PolarHBondContact O-N 3.01Å; I201-E204 WeakPolarHBondContact O-CB 3.36Å; I201-E204 PolarHBondContact O-N 2.92Å; I201-D205 WeakPolarHBondContact O-CB 3.3Å; I201-D205 PolarHBondContact O-N 3.37Å; I201-I211 HydrophobicContact CD1-CD1 4.36Å; I201-I211 HydrophobicContact CG2-CD1 4.09Å; I201-I211 HydrophobicContact CG2-CG2 4.22Å
202	E	97.9	Very high	95.6	Very high	75 Å²	75	70 Å²	70	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-36.3	176.4	-72.7	168.9	-169.7	0	0	111.3	Q198 K199 R206	Q198-E202 WeakPolarHBondContact O-CG 3.36Å; Q198-E202 PolarHBondContact O-N 3Å; K199-E202 PolarHBondContact O-N 3.3Å; E202-R206 WeakPolarHBondContact O-CG 3.41Å; E202-R206 PolarHBondContact O-N 3.4Å
203	Y	98.1	Very high	96.4	Very high	154 Å²	154	65.7 Å²	65.7	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-68.4	-45.7	173.8	-177.5	-99.6	0	0	0	112.2	K199 L200 I201 D205 R206 I207	K199-Y203 PolarHBondContact O-N 2.62Å; L200-Y203 PolarHBondContact O-N 2.77Å; I201-Y203 PolarHBondContact O-N 3.01Å; Y203-D205 VanDerWaalsContact C-N 3.3Å; Y203-D205 PolarHBondContact O-N 3.23Å; Y203-R206 PolarHBondContact O-N 2.82Å; Y203-I207 HydrophobicContact CD1-CD1 3.96Å; Y203-I207 HydrophobicContact CE1-CD1 3.43Å; Y203-I207 VanDerWaalsContact CE1-CD1 3.43Å; Y203-I207 PolarHBondContact O-N 2.98Å
204	E	98.4	Very high	96.8	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-45.2	174.1	-174.5	-179.8	170.7	0	0	111.1	H158 R161 R165 L200 I201 R206 I207 Y208 I211	H158-E204 IonicContact CE1-OE2 3.3Å; H158-E204 PolarHBondContact CE1-OE2 2.72Å; H158-E204 IonicContact CG-OE2 3.43Å; H158-E204 IonicContact ND1-OE2 3.56Å; H158-E204 PolarHBondContact ND1-OE2 3.32Å; R161-E204 IonicContact CZ-OE1 2.75Å; R161-E204 IonicContact CZ-OE2 3.68Å; R161-E204 IonicContact NE-OE1 2.66Å; R161-E204 PolarHBondContact NE-OE1 3.19Å; R161-E204 IonicContact NE-OE2 3.94Å; R161-E204 PolarHBondContact NE-OE2 3.02Å; R161-E204 IonicContact NH2-OE1 3.73Å; R161-E204 IonicContact NH2-OE2 3.89Å; R161-E204 PolarHBondContact NH2-OE2 2.98Å; R165-E204 IonicContact CZ-OE1 3.24Å; R165-E204 IonicContact NH1-OE1 2.81Å; R165-E204 PolarHBondContact NH1-OE1 3.35Å; R165-E204 IonicContact NH2-OE1 3.83Å; R165-E204 PolarHBondContact NH2-OE1 3.03Å; L200-E204 WeakPolarHBondContact O-CB 3.43Å; L200-E204 PolarHBondContact O-N 3.31Å; I201-E204 WeakPolarHBondContact O-CB 3.36Å; I201-E204 PolarHBondContact O-N 2.92Å; E204-R206 PolarHBondContact O-N 3.48Å; E204-I207 PolarHBondContact O-N 3.13Å; E204-I207 VanDerWaalsContact O-N 3.12Å; E204-Y208 HydrophobicContact CG-CD2 3.73Å; E204-Y208 HydrophobicContact CG-CE2 4.11Å; E204-Y208 VanDerWaalsContact O-CD2 3.26Å; E204-Y208 WeakPolarHBondContact O-CD2 3.37Å; E204-Y208 PolarHBondContact O-N 3.21Å; E204-I211 HydrophobicContact CB-CD1 4.22Å; E204-I211 HydrophobicContact CG-CD1 3.92Å
205	D	98.4	Very high	97.2	Very high	14 Å²	14	62 Å²	62	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-41.6	179	-178.1	63.4	0	0	0	112.7	I134 H136 I201 Y203 I207 Y208 K209 I211	I134-D205 HydrophobicContact CD1-CB 4.26Å; I134-D205 HydrophobicContact CG2-CB 4.22Å; I134-D205 VanDerWaalsContact CG2-CG 3.49Å; H136-D205 IonicContact CD2-OD1 3.31Å; H136-D205 IonicContact CE1-OD1 3.98Å; H136-D205 PolarHBondContact CE1-OD1 2.86Å; H136-D205 VanDerWaalsContact CE1-OD1 3.28Å; H136-D205 IonicContact CE1-OD2 3.88Å; H136-D205 IonicContact NE2-OD1 2.76Å; H136-D205 PolarHBondContact NE2-OD1 2.84Å; H136-D205 IonicContact NE2-OD2 3.28Å; I201-D205 WeakPolarHBondContact O-CB 3.3Å; I201-D205 PolarHBondContact O-N 3.37Å; Y203-D205 VanDerWaalsContact C-N 3.3Å; Y203-D205 PolarHBondContact O-N 3.23Å; D205-I207 PolarHBondContact O-N 3.02Å; D205-I207 VanDerWaalsContact O-N 3.11Å; D205-Y208 PolarHBondContact O-N 2.86Å; D205-K209 WeakPolarHBondContact O-CA 3.46Å; D205-K209 VanDerWaalsContact O-CD 3.25Å; D205-K209 WeakPolarHBondContact O-CD 3.32Å; D205-K209 VanDerWaalsContact O-CE 3.22Å; D205-K209 WeakPolarHBondContact O-CE 3.47Å; D205-K209 WeakPolarHBondContact O-CG 3.13Å; D205-K209 PolarHBondContact O-N 2.91Å; D205-K209 PolarHBondContact O-NZ 3.4Å; D205-K209 IonicContact OD2-NZ 3.91Å; D205-K209 PolarHBondContact OD2-NZ 3.39Å; D205-I211 HydrophobicContact CB-CD1 4.42Å
206	R	98.1	Very high	97.4	Very high	173 Å²	173	54.2 Å²	54.2	65%	0.653	25%	0.245	S	C	*	.	H	α-helix	trans	-55.3	-31.1	175.9	-76.3	169.4	-162.9	-171.8	6.9	112.5	E202 Y203 E204	E202-R206 WeakPolarHBondContact O-CG 3.41Å; E202-R206 PolarHBondContact O-N 3.4Å; Y203-R206 PolarHBondContact O-N 2.82Å; E204-R206 PolarHBondContact O-N 3.48Å
207	I	97.8	Very high	97.5	Very high	91 Å²	91	52.2 Å²	52.2	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-86.5	-51.2	-178.7	-62.2	166.5	0	0	0	111.1	Y203 E204 D205	Y203-I207 HydrophobicContact CD1-CD1 3.96Å; Y203-I207 HydrophobicContact CE1-CD1 3.43Å; Y203-I207 VanDerWaalsContact CE1-CD1 3.43Å; Y203-I207 PolarHBondContact O-N 2.98Å; E204-I207 PolarHBondContact O-N 3.13Å; E204-I207 VanDerWaalsContact O-N 3.12Å; D205-I207 PolarHBondContact O-N 3.02Å; D205-I207 VanDerWaalsContact O-N 3.11Å
208	Y	98.1	Very high	97.5	Very high	80 Å²	80	51.5 Å²	51.5	31%	0.314	23%	0.23	S	C	.	.	H	α-helix	trans	-100.7	-23.5	-165.7	-61.1	-72.8	0	0	0	114.4	E162 R165 E204 D205 D210	E162-Y208 PolarHBondContact OE1-OH 2.99Å; E162-Y208 VanDerWaalsContact OE2-CZ 3.3Å; E162-Y208 PolarHBondContact OE2-OH 2.97Å; R165-Y208 VanDerWaalsContact CD-CD1 3.47Å; E204-Y208 HydrophobicContact CG-CD2 3.73Å; E204-Y208 HydrophobicContact CG-CE2 4.11Å; E204-Y208 VanDerWaalsContact O-CD2 3.26Å; E204-Y208 WeakPolarHBondContact O-CD2 3.37Å; E204-Y208 PolarHBondContact O-N 3.21Å; D205-Y208 PolarHBondContact O-N 2.86Å; Y208-D210 WeakPolarHBondContact CB-OD1 2.98Å; Y208-D210 PolarHBondContact O-N 2.93Å
209	K	97.8	Very high	97.5	Very high	80 Å²	80	51.9 Å²	51.9	35%	0.348	24%	0.235	S	C	.	.			trans	52.3	35.6	178.5	-60.3	-69.9	163.8	-157.8	0	113.8	K139 D205	K139-K209 WeakPolarHBondContact CE-O 3.13Å; D205-K209 WeakPolarHBondContact O-CA 3.46Å; D205-K209 VanDerWaalsContact O-CD 3.25Å; D205-K209 WeakPolarHBondContact O-CD 3.32Å; D205-K209 VanDerWaalsContact O-CE 3.22Å; D205-K209 WeakPolarHBondContact O-CE 3.47Å; D205-K209 WeakPolarHBondContact O-CG 3.13Å; D205-K209 PolarHBondContact O-N 2.91Å; D205-K209 PolarHBondContact O-NZ 3.4Å; D205-K209 IonicContact OD2-NZ 3.91Å; D205-K209 PolarHBondContact OD2-NZ 3.39Å
210	D	98.2	Very high	97.4	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.043	22%	0.221	C	C	.	.			trans	-126.4	21.4	-171.6	64.5	3.9	0	0	0	112.9	R165 T181 L182 F183 Y208	R165-D210 IonicContact CZ-OD1 2.75Å; R165-D210 IonicContact CZ-OD2 3.51Å; R165-D210 IonicContact NE-OD1 2.79Å; R165-D210 PolarHBondContact NE-OD1 3.24Å; R165-D210 IonicContact NE-OD2 2.93Å; R165-D210 PolarHBondContact NE-OD2 3.35Å; R165-D210 IonicContact NH2-OD1 2.73Å; R165-D210 PolarHBondContact NH2-OD1 3.17Å; R165-D210 IonicContact NH2-OD2 3.88Å; T181-D210 WeakPolarHBondContact O-CB 3.39Å; L182-D210 CarbonylContact C-O 3.58Å; L182-D210 WeakPolarHBondContact CA-O 3.35Å; F183-D210 PolarHBondContact N-O 3.42Å; Y208-D210 WeakPolarHBondContact CB-OD1 2.98Å; Y208-D210 PolarHBondContact O-N 2.93Å
211	I	98.8	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.1	-176.8	-63.9	178.4	0	0	0	110.3	I134 H136 L185 I201 E204 D205 Q213	I134-I211 HydrophobicContact CD1-CG2 4.32Å; I134-I211 HydrophobicContact CG2-CB 4.46Å; I134-I211 VanDerWaalsContact CG2-O 3.23Å; I134-I211 WeakPolarHBondContact CG2-O 3.34Å; H136-I211 PolarHBondContact CD2-O 2.92Å; H136-I211 PolarHBondContact NE2-O 3.21Å; L185-I211 HydrophobicContact CD1-CG2 4.28Å; L185-I211 HydrophobicContact CD2-CG2 4.11Å; I201-I211 HydrophobicContact CD1-CD1 4.36Å; I201-I211 HydrophobicContact CG2-CD1 4.09Å; I201-I211 HydrophobicContact CG2-CG2 4.22Å; E204-I211 HydrophobicContact CB-CD1 4.22Å; E204-I211 HydrophobicContact CG-CD1 3.92Å; D205-I211 HydrophobicContact CB-CD1 4.42Å; I211-Q213 HydrophobicContact CG2-CB 4.34Å
212	L	98.8	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.7	162.9	-56.8	-174.2	0	0	0	108.5	M132 H136 L182 F183 L184 L185 W214 W233	M132-L212 HydrophobicContact CE-CB 4.33Å; M132-L212 HydrophobicContact CE-CD2 4.08Å; H136-L212 HydrophobicContact CB-CD2 4.32Å; L182-L212 HydrophobicContact CD1-CD1 3.94Å; L182-L212 HydrophobicContact CD1-CG 4.34Å; L182-L212 HydrophobicContact CD2-CD2 4.34Å; L182-L212 HydrophobicContact CD2-CG 4.2Å; F183-L212 PolarHBondContact O-N 3.4Å; L184-L212 HydrophobicContact CD2-CB 4.19Å; L184-L212 HydrophobicContact CD2-CD1 4.04Å; L184-L212 HydrophobicContact CD2-CG 4.5Å; L185-L212 PolarHBondContact N-O 2.85Å; L212-W214 HydrophobicContact CB-CH2 3.61Å; L212-W214 HydrophobicContact CB-CZ2 4.32Å; L212-W214 HydrophobicContact CB-CZ3 3.71Å; L212-W214 HydrophobicContact CD1-CH2 3.79Å; L212-W214 HydrophobicContact CD1-CZ2 4.36Å; L212-W214 HydrophobicContact CG-CH2 4.38Å; L212-W233 HydrophobicContact CD1-CD2 3.52Å; L212-W233 HydrophobicContact CD1-CE3 3.71Å; L212-W233 HydrophobicContact CD1-CG 4.02Å; L212-W233 HydrophobicContact CD1-CH2 4.21Å; L212-W233 HydrophobicContact CD1-CZ2 4.02Å; L212-W233 HydrophobicContact CD1-CZ3 4.04Å; L212-W233 HydrophobicContact CD2-CZ2 3.84Å
213	Q	98.6	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127	179.8	-168.2	-175.3	20.2	0	0	110.6	M132 L133 I134 L185 G186 I211	M132-Q213 CarbonylContact C-O 3.55Å; M132-Q213 WeakPolarHBondContact CA-O 3.41Å; L133-Q213 HydrophobicContact CB-CB 4.29Å; L133-Q213 HydrophobicContact CB-CG 4.24Å; L133-Q213 HydrophobicContact CD1-CG 4.21Å; L133-Q213 PolarHBondContact N-O 3.1Å; I134-Q213 HydrophobicContact CB-CB 3.98Å; I134-Q213 HydrophobicContact CD1-CB 4.36Å; I134-Q213 HydrophobicContact CG1-CB 4.15Å; I134-Q213 PolarHBondContact N-O 2.77Å; I134-Q213 PolarHBondContact O-N 2.86Å; L185-Q213 HydrophobicContact CB-CB 4.31Å; L185-Q213 HydrophobicContact CB-CG 4.06Å; L185-Q213 WeakPolarHBondContact O-CA 3.36Å; G186-Q213 PolarHBondContact O-NE2 2.9Å; I211-Q213 HydrophobicContact CG2-CB 4.34Å
214	W	98.4	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.3	173	-67.4	-89.4	0	0	0	111.4	W92 F130 P131 M132 L184 L185 G186 L212 F216 N229 F230 W233	W92-W214 AromaticContact CE2-NE1 3.92Å; W92-W214 AromaticContact CH2-NE1 3.34Å; W92-W214 VanDerWaalsContact CH2-NE1 3.34Å; W92-W214 AromaticContact CZ2-CD1 3.59Å; W92-W214 AromaticContact CZ2-NE1 3.23Å; F130-W214 HydrophobicContact CB-CB 4.29Å; P131-W214 CarbonylContact O-C 3.59Å; P131-W214 WeakPolarHBondContact O-CA 3.44Å; M132-W214 HydrophobicContact CE-CZ2 4.16Å; M132-W214 HydrophobicContact CG-CG 4.36Å; M132-W214 VanDerWaalsContact CG-NE1 3.33Å; L184-W214 HydrophobicContact CB-CZ3 4.23Å; L184-W214 HydrophobicContact CD2-CH2 3.9Å; L184-W214 HydrophobicContact CD2-CZ3 3.85Å; L185-W214 PolarHBondContact O-N 3.27Å; L185-W214 VanDerWaalsContact O-N 3.12Å; G186-W214 WeakPolarHBondContact CA-O 3.43Å; L212-W214 HydrophobicContact CB-CH2 3.61Å; L212-W214 HydrophobicContact CB-CZ2 4.32Å; L212-W214 HydrophobicContact CB-CZ3 3.71Å; L212-W214 HydrophobicContact CD1-CH2 3.79Å; L212-W214 HydrophobicContact CD1-CZ2 4.36Å; L212-W214 HydrophobicContact CG-CH2 4.38Å; W214-F216 HydrophobicContact CB-CD1 3.58Å; W214-F216 HydrophobicContact CB-CE1 3.53Å; W214-F216 HydrophobicContact CG-CE1 4.2Å; W214-F216 PolarHBondContact O-N 3.06Å; W214-N229 HydrophobicContact CD2-CB 3.86Å; W214-N229 HydrophobicContact CE3-CB 4.49Å; W214-N229 HydrophobicContact CG-CB 4.11Å; W214-N229 HydrophobicContact CZ2-CB 3.99Å; W214-F230 HydrophobicContact CH2-CB 4.34Å; W214-W233 HydrophobicContact CZ2-CB 4Å; W214-W233 HydrophobicContact CZ2-CG 4.28Å
215	D	96.3	Very high	97.3	Very high	78 Å²	78	37.5 Å²	37.5	42%	0.417	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	55.2	-178.2	-166.4	19.8	0	0	0	112.9	F130 P131 L133 T187	F130-D215 WeakPolarHBondContact CD1-O 3.43Å; P131-D215 HydrophobicContact CB-CB 4.33Å; P131-D215 PolarHBondContact O-N 2.77Å; L133-D215 HydrophobicContact CD1-CB 4.19Å; L133-D215 HydrophobicContact CD2-CB 4Å; L133-D215 HydrophobicContact CG-CB 4.01Å; T187-D215 WeakPolarHBondContact CG2-OD1 3.34Å
216	F	95.9	Very high	97.3	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.022	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	168.5	65.6	-100.2	0	0	0	111	F130 G186 T187 W214 D218 N222 L225 K226	F130-F216 HydrophobicContact CB-CD1 4.15Å; F130-F216 HydrophobicContact CD1-CB 3.51Å; F130-F216 HydrophobicContact CD2-CB 4.05Å; F130-F216 AromaticContact CD2-CD1 3.93Å; F130-F216 HydrophobicContact CD2-CD1 3.93Å; F130-F216 HydrophobicContact CD2-CG 4.37Å; F130-F216 HydrophobicContact CE1-CB 3.52Å; F130-F216 HydrophobicContact CE2-CB 4.13Å; F130-F216 HydrophobicContact CG-CB 3.77Å; F130-F216 AromaticContact CG-CD1 3.96Å; F130-F216 HydrophobicContact CG-CD1 3.96Å; F130-F216 HydrophobicContact CG-CG 4.36Å; F130-F216 HydrophobicContact CZ-CB 3.86Å; G186-F216 CarbonylContact C-O 3.48Å; G186-F216 WeakPolarHBondContact CA-O 3.39Å; T187-F216 PolarHBondContact N-O 2.9Å; T187-F216 PolarHBondContact OG1-O 3.44Å; T187-F216 VanDerWaalsContact OG1-O 3.09Å; W214-F216 HydrophobicContact CB-CD1 3.58Å; W214-F216 HydrophobicContact CB-CE1 3.53Å; W214-F216 HydrophobicContact CG-CE1 4.2Å; W214-F216 PolarHBondContact O-N 3.06Å; F216-D218 PolarHBondContact O-N 3.24Å; F216-N222 HydrophobicContact CD2-CB 4.15Å; F216-N222 HydrophobicContact CE2-CB 4.27Å; F216-L225 HydrophobicContact CB-CD1 4.25Å; F216-L225 HydrophobicContact CD1-CB 4.15Å; F216-L225 HydrophobicContact CD2-CB 4.18Å; F216-L225 HydrophobicContact CD2-CD1 4.14Å; F216-L225 HydrophobicContact CE1-CB 3.9Å; F216-L225 HydrophobicContact CE2-CB 3.97Å; F216-L225 HydrophobicContact CG-CB 4.29Å; F216-L225 HydrophobicContact CG-CD1 4.08Å; F216-L225 HydrophobicContact CZ-CB 3.82Å; F216-K226 HydrophobicContact CE2-CG 4.11Å; F216-K226 HydrophobicContact CZ-CB 4.35Å; F216-K226 HydrophobicContact CZ-CG 3.58Å
217	M	95.1	Very high	97.3	Very high	39 Å²	39	28.7 Å²	28.7	19%	0.192	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	121.8	178.7	-174.6	179.5	46.6	0	0	111.1	T187 T189 T219 N222	T187-M217 WeakPolarHBondContact OG1-CA 3.44Å; T187-M217 PolarHBondContact OG1-N 3.03Å; T189-M217 HydrophobicContact CG2-CG 4.22Å; T189-M217 HydrophobicContact CG2-SD 4.43Å; M217-T219 HydrophobicContact CE-CG2 3.81Å; M217-T219 HydrophobicContact CG-CG2 3.84Å; M217-T219 PolarHBondContact O-N 3.36Å; M217-T219 VanDerWaalsContact O-N 3.1Å; M217-T219 HydrophobicContact SD-CG2 4.07Å; M217-N222 PolarHBondContact O-ND2 3.39Å
218	D	96	Very high	97.3	Very high	14 Å²	14	24.4 Å²	24.4	8%	0.075	12%	0.117	C	C	.	.			trans	-78.2	95.8	-175.8	-152.3	-19.2	0	0	0	110.7	G186 T187 T189 F216 K226	G186-D218 PolarHBondContact N-OD2 3.49Å; T187-D218 WeakPolarHBondContact O-CB 3.41Å; T187-D218 PolarHBondContact O-N 2.75Å; T189-D218 WeakPolarHBondContact CG2-O 3.37Å; F216-D218 PolarHBondContact O-N 3.24Å; D218-K226 VanDerWaalsContact CG-CE 3.48Å; D218-K226 VanDerWaalsContact CG-NZ 3.29Å; D218-K226 WeakPolarHBondContact OD1-CE 3.47Å; D218-K226 IonicContact OD1-NZ 3.47Å; D218-K226 PolarHBondContact OD1-NZ 2.64Å; D218-K226 WeakPolarHBondContact OD2-CE 3.36Å; D218-K226 IonicContact OD2-NZ 3.9Å; D218-K226 PolarHBondContact OD2-NZ 3.37Å
219	T	95.4	Very high	97.3	Very high	39 Å²	39	20.6 Å²	20.6	24%	0.239	10%	0.102	C	C	.	.			trans	-127	163.3	179	71.2	0	0	0	0	110.4	T189 M217 F221 N222 L223	T189-T219 HydrophobicContact CG2-CG2 4.1Å; M217-T219 HydrophobicContact CE-CG2 3.81Å; M217-T219 HydrophobicContact CG-CG2 3.84Å; M217-T219 PolarHBondContact O-N 3.36Å; M217-T219 VanDerWaalsContact O-N 3.1Å; M217-T219 HydrophobicContact SD-CG2 4.07Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 3.15Å; T219-N222 CarbonylContact O-C 3.57Å; T219-N222 WeakPolarHBondContact O-CA 3.13Å; T219-N222 PolarHBondContact O-N 3.37Å; T219-N222 WeakPolarHBondContact OG1-CB 3.11Å; T219-N222 PolarHBondContact OG1-N 3.24Å; T219-N222 PolarHBondContact OG1-ND2 2.91Å; T219-L223 PolarHBondContact O-N 3.48Å
220	F	95	Very high	97.4	Very high	66 Å²	66	16.8 Å²	16.8	29%	0.289	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-55	-42.7	177.3	-179.9	-103.6	0	0	0	112.7	N222 L223 K292 Y293	F220-N222 VanDerWaalsContact C-N 3.27Å; F220-N222 PolarHBondContact O-N 3.46Å; F220-L223 HydrophobicContact CD2-CD1 3.83Å; F220-L223 HydrophobicContact CE2-CD1 4.12Å; F220-L223 WeakPolarHBondContact O-CG 3.47Å; F220-L223 PolarHBondContact O-N 3.15Å; F220-K292 WeakPolarHBondContact CE1-O 3.39Å; F220-Y293 HydrophobicContact CE1-CD1 4.39Å; F220-Y293 HydrophobicContact CE2-CD1 4.48Å; F220-Y293 HydrophobicContact CE2-CE1 4.06Å; F220-Y293 AromaticContact CZ-CD1 3.63Å; F220-Y293 HydrophobicContact CZ-CD1 3.63Å; F220-Y293 AromaticContact CZ-CE1 3.64Å; F220-Y293 HydrophobicContact CZ-CE1 3.64Å
221	F	96.4	Very high	97.4	Very high	34 Å²	34	16.4 Å²	16.4	15%	0.149	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-73.4	-18.7	178.3	-64.9	-17.7	0	0	0	113.6	R117 F118 F121 T219 P334	R117-F221 WeakPolarHBondContact O-CE2 3.19Å; F118-F221 HydrophobicContact CD1-CD2 4.3Å; F118-F221 AromaticContact CD1-CE2 3.67Å; F118-F221 HydrophobicContact CD1-CE2 3.67Å; F118-F221 AromaticContact CD1-CZ 3.9Å; F118-F221 HydrophobicContact CD1-CZ 3.9Å; F118-F221 HydrophobicContact CD2-CE2 4.41Å; F118-F221 HydrophobicContact CE1-CD2 4.46Å; F118-F221 AromaticContact CE1-CE1 3.93Å; F118-F221 HydrophobicContact CE1-CE1 3.93Å; F118-F221 AromaticContact CE1-CE2 3.64Å; F118-F221 HydrophobicContact CE1-CE2 3.64Å; F118-F221 AromaticContact CE1-CZ 3.33Å; F118-F221 HydrophobicContact CE1-CZ 3.33Å; F118-F221 HydrophobicContact CE2-CE2 4.39Å; F118-F221 HydrophobicContact CE2-CZ 4.13Å; F118-F221 HydrophobicContact CG-CE2 4.07Å; F118-F221 HydrophobicContact CG-CZ 4.49Å; F118-F221 HydrophobicContact CZ-CE1 4.25Å; F118-F221 HydrophobicContact CZ-CE2 4Å; F118-F221 AromaticContact CZ-CZ 3.46Å; F118-F221 HydrophobicContact CZ-CZ 3.46Å; F118-F221 VanDerWaalsContact CZ-CZ 3.46Å; F121-F221 HydrophobicContact CB-CB 4.33Å; F121-F221 HydrophobicContact CB-CD2 4.32Å; F121-F221 HydrophobicContact CD2-CB 3.88Å; F121-F221 WeakPolarHBondContact CD2-O 3.46Å; F121-F221 VanDerWaalsContact CE2-O 3.32Å; F121-F221 WeakPolarHBondContact CE2-O 3.37Å; F121-F221 HydrophobicContact CG-CB 4.28Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 3.15Å; F221-P334 HydrophobicContact CB-CB 4.12Å; F221-P334 HydrophobicContact CD1-CB 3.53Å; F221-P334 HydrophobicContact CE1-CB 4.06Å; F221-P334 HydrophobicContact CG-CB 3.85Å
222	N	97.3	Very high	97.3	Very high	26 Å²	26	17.6 Å²	17.6	14%	0.139	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-93	4.6	176.8	-70.4	-12.9	0	0	0	113.1	F216 M217 T219 F220 T224 L225 K226	F216-N222 HydrophobicContact CD2-CB 4.15Å; F216-N222 HydrophobicContact CE2-CB 4.27Å; M217-N222 PolarHBondContact O-ND2 3.39Å; T219-N222 CarbonylContact O-C 3.57Å; T219-N222 WeakPolarHBondContact O-CA 3.13Å; T219-N222 PolarHBondContact O-N 3.37Å; T219-N222 WeakPolarHBondContact OG1-CB 3.11Å; T219-N222 PolarHBondContact OG1-N 3.24Å; T219-N222 PolarHBondContact OG1-ND2 2.91Å; F220-N222 VanDerWaalsContact C-N 3.27Å; F220-N222 PolarHBondContact O-N 3.46Å; N222-T224 PolarHBondContact O-N 2.95Å; N222-L225 HydrophobicContact CB-CD1 4Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 WeakPolarHBondContact O-CA 3.43Å; N222-L225 VanDerWaalsContact O-CB 3.26Å; N222-L225 WeakPolarHBondContact O-CB 3.37Å; N222-L225 PolarHBondContact O-N 3.48Å; N222-K226 PolarHBondContact O-N 3.36Å
223	L	97.4	Very high	97.3	Very high	30 Å²	30	17.6 Å²	17.6	16%	0.157	9%	0.089	C	C	.	.	H	α-helix	trans	-57.5	-34.2	172.4	-70.1	176.1	0	0	0	111.6	T219 F220 L225 K226 E227 D336	T219-L223 PolarHBondContact O-N 3.48Å; F220-L223 HydrophobicContact CD2-CD1 3.83Å; F220-L223 HydrophobicContact CE2-CD1 4.12Å; F220-L223 WeakPolarHBondContact O-CG 3.47Å; F220-L223 PolarHBondContact O-N 3.15Å; L223-L225 PolarHBondContact O-N 2.98Å; L223-K226 HydrophobicContact CD2-CD 3.95Å; L223-K226 WeakPolarHBondContact O-CA 3.44Å; L223-K226 VanDerWaalsContact O-CB 3.25Å; L223-K226 WeakPolarHBondContact O-CB 3.29Å; L223-K226 PolarHBondContact O-N 2.9Å; L223-E227 PolarHBondContact O-N 3.42Å; L223-E227 VanDerWaalsContact O-N 3.14Å; L223-D336 HydrophobicContact CB-CB 3.86Å
224	T	97.9	Very high	97.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-28.6	173.9	-51.6	0	0	0	0	112.6	N222 E227 V228 L332 Y333 D336 F339	N222-T224 PolarHBondContact O-N 2.95Å; T224-E227 WeakPolarHBondContact O-CB 3.36Å; T224-E227 PolarHBondContact O-N 2.7Å; T224-V228 PolarHBondContact O-N 2.73Å; T224-L332 HydrophobicContact CG2-CB 4.4Å; T224-L332 HydrophobicContact CG2-CD2 3.98Å; T224-Y333 WeakPolarHBondContact CB-O 3.46Å; T224-Y333 PolarHBondContact OG1-O 3.45Å; T224-D336 VanDerWaalsContact OG1-CA 3.32Å; T224-D336 WeakPolarHBondContact OG1-CA 3.37Å; T224-D336 PolarHBondContact OG1-N 3.39Å; T224-F339 HydrophobicContact CG2-CB 3.75Å; T224-F339 HydrophobicContact CG2-CD1 3.5Å; T224-F339 VanDerWaalsContact CG2-CD1 3.5Å; T224-F339 HydrophobicContact CG2-CD2 3.77Å; T224-F339 HydrophobicContact CG2-CE1 3.98Å; T224-F339 HydrophobicContact CG2-CE2 4.22Å; T224-F339 HydrophobicContact CG2-CG 3.37Å; T224-F339 HydrophobicContact CG2-CZ 4.31Å
225	L	98.3	Very high	97.2	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.052	9%	0.092	C	C	.	.	H	α-helix	trans	-66.6	-38.1	171	-65.2	176.4	0	0	0	111.3	F130 F216 N222 L223 E227 V228 N229 L332	F130-L225 HydrophobicContact CD2-CD1 4.43Å; F130-L225 HydrophobicContact CE2-CD1 3.57Å; F130-L225 HydrophobicContact CE2-CD2 3.82Å; F130-L225 HydrophobicContact CE2-CG 4.24Å; F130-L225 HydrophobicContact CZ-CD1 3.85Å; F216-L225 HydrophobicContact CB-CD1 4.25Å; F216-L225 HydrophobicContact CD1-CB 4.15Å; F216-L225 HydrophobicContact CD2-CB 4.18Å; F216-L225 HydrophobicContact CD2-CD1 4.14Å; F216-L225 HydrophobicContact CE1-CB 3.9Å; F216-L225 HydrophobicContact CE2-CB 3.97Å; F216-L225 HydrophobicContact CG-CB 4.29Å; F216-L225 HydrophobicContact CG-CD1 4.08Å; F216-L225 HydrophobicContact CZ-CB 3.82Å; N222-L225 HydrophobicContact CB-CD1 4Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 WeakPolarHBondContact O-CA 3.43Å; N222-L225 VanDerWaalsContact O-CB 3.26Å; N222-L225 WeakPolarHBondContact O-CB 3.37Å; N222-L225 PolarHBondContact O-N 3.48Å; L223-L225 PolarHBondContact O-N 2.98Å; L225-E227 VanDerWaalsContact C-N 3.26Å; L225-E227 PolarHBondContact O-N 3.42Å; L225-V228 HydrophobicContact CD2-CG2 4.4Å; L225-N229 VanDerWaalsContact O-CB 3.28Å; L225-N229 WeakPolarHBondContact O-CB 3.38Å; L225-N229 PolarHBondContact O-N 3.03Å; L225-N229 PolarHBondContact O-ND2 3.15Å; L225-L332 HydrophobicContact CD2-CD1 3.47Å; L225-L332 VanDerWaalsContact CD2-CD1 3.47Å
226	K	98.1	Very high	97.1	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-59.2	-40.6	170.7	-64.3	178.9	-174.9	-77.6	0	111	K152 S153 L184 L185 F216 D218 N222 L223 F230	K152-K226 HydrophobicContact CB-CD 4.48Å; K152-K226 HydrophobicContact CG-CD 4.36Å; S153-K226 PolarHBondContact O-NZ 3.15Å; L184-K226 HydrophobicContact CB-CD 4.4Å; L184-K226 HydrophobicContact CD1-CB 4.45Å; L184-K226 PolarHBondContact O-NZ 3.03Å; L185-K226 VanDerWaalsContact CA-NZ 3.27Å; F216-K226 HydrophobicContact CE2-CG 4.11Å; F216-K226 HydrophobicContact CZ-CB 4.35Å; F216-K226 HydrophobicContact CZ-CG 3.58Å; D218-K226 VanDerWaalsContact CG-CE 3.48Å; D218-K226 VanDerWaalsContact CG-NZ 3.29Å; D218-K226 WeakPolarHBondContact OD1-CE 3.47Å; D218-K226 IonicContact OD1-NZ 3.47Å; D218-K226 PolarHBondContact OD1-NZ 2.64Å; D218-K226 WeakPolarHBondContact OD2-CE 3.36Å; D218-K226 IonicContact OD2-NZ 3.9Å; D218-K226 PolarHBondContact OD2-NZ 3.37Å; N222-K226 PolarHBondContact O-N 3.36Å; L223-K226 HydrophobicContact CD2-CD 3.95Å; L223-K226 WeakPolarHBondContact O-CA 3.44Å; L223-K226 VanDerWaalsContact O-CB 3.25Å; L223-K226 WeakPolarHBondContact O-CB 3.29Å; L223-K226 PolarHBondContact O-N 2.9Å; K226-F230 WeakPolarHBondContact O-CB 2.89Å; K226-F230 PolarHBondContact O-N 3.06Å
227	E	97.8	Very high	97.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-59.3	-58.9	177.8	-61.1	-53.8	125	0	0	111.9	L223 T224 L225 N229 F230 L231 K246 D336	L223-E227 PolarHBondContact O-N 3.42Å; L223-E227 VanDerWaalsContact O-N 3.14Å; T224-E227 WeakPolarHBondContact O-CB 3.36Å; T224-E227 PolarHBondContact O-N 2.7Å; L225-E227 VanDerWaalsContact C-N 3.26Å; L225-E227 PolarHBondContact O-N 3.42Å; E227-N229 PolarHBondContact O-N 3.13Å; E227-F230 PolarHBondContact O-N 3.05Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.12Å; E227-L231 PolarHBondContact O-N 3.39Å; E227-K246 WeakPolarHBondContact OE1-CE 3.48Å; E227-K246 IonicContact OE1-NZ 3.99Å; E227-K246 PolarHBondContact OE1-NZ 3.38Å; E227-K246 VanDerWaalsContact OE2-CE 3.32Å; E227-K246 WeakPolarHBondContact OE2-CE 3.41Å; E227-K246 IonicContact OE2-NZ 2.77Å; E227-K246 PolarHBondContact OE2-NZ 2.98Å; E227-D336 HydrophobicContact CG-CB 3.73Å
228	V	98.2	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.7	-36.9	-173.3	-59.3	0	0	0	0	112.2	T224 L225 L231 K232 L332 F339	T224-V228 PolarHBondContact O-N 2.73Å; L225-V228 HydrophobicContact CD2-CG2 4.4Å; V228-L231 PolarHBondContact O-N 2.86Å; V228-K232 PolarHBondContact O-N 3.09Å; V228-L332 HydrophobicContact CG1-CD2 3.77Å; V228-L332 HydrophobicContact CG2-CD2 4.36Å; V228-F339 HydrophobicContact CG1-CE1 3.56Å; V228-F339 HydrophobicContact CG1-CZ 3.73Å
229	N	98.4	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-40.8	176.9	-76.9	-85.7	0	0	0	111.2	W92 R128 Y129 F130 W214 L225 E227 K232 W233	W92-N229 HydrophobicContact CH2-CB 4.01Å; W92-N229 WeakPolarHBondContact CH2-OD1 3.27Å; W92-N229 WeakPolarHBondContact CZ2-OD1 3.31Å; R128-N229 PolarHBondContact O-ND2 3.39Å; Y129-N229 WeakPolarHBondContact CA-OD1 3.45Å; F130-N229 PolarHBondContact N-OD1 3.47Å; W214-N229 HydrophobicContact CD2-CB 3.86Å; W214-N229 HydrophobicContact CE3-CB 4.49Å; W214-N229 HydrophobicContact CG-CB 4.11Å; W214-N229 HydrophobicContact CZ2-CB 3.99Å; L225-N229 VanDerWaalsContact O-CB 3.28Å; L225-N229 WeakPolarHBondContact O-CB 3.38Å; L225-N229 PolarHBondContact O-N 3.03Å; L225-N229 PolarHBondContact O-ND2 3.15Å; E227-N229 PolarHBondContact O-N 3.13Å; N229-K232 PolarHBondContact O-N 3.18Å; N229-W233 VanDerWaalsContact O-CB 3.29Å; N229-W233 WeakPolarHBondContact O-CB 3.47Å; N229-W233 PolarHBondContact O-N 3.22Å
230	F	98.6	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-45.3	173.6	169	-103.7	0	0	0	112.3	V150 L184 W214 K226 E227 K232 W233 F234 I244 M315	V150-F230 HydrophobicContact CB-CE2 4.28Å; V150-F230 HydrophobicContact CB-CZ 4.19Å; V150-F230 HydrophobicContact CG1-CD1 4.3Å; V150-F230 HydrophobicContact CG1-CD2 3.83Å; V150-F230 HydrophobicContact CG1-CE1 4.18Å; V150-F230 HydrophobicContact CG1-CE2 3.7Å; V150-F230 HydrophobicContact CG1-CG 4.15Å; V150-F230 HydrophobicContact CG1-CZ 3.91Å; V150-F230 HydrophobicContact CG2-CE1 4.32Å; V150-F230 HydrophobicContact CG2-CE2 3.59Å; V150-F230 HydrophobicContact CG2-CZ 3.49Å; V150-F230 VanDerWaalsContact CG2-CZ 3.49Å; L184-F230 HydrophobicContact CD1-CB 3.75Å; L184-F230 HydrophobicContact CD1-CD2 4.27Å; L184-F230 HydrophobicContact CD1-CG 3.96Å; L184-F230 HydrophobicContact CD2-CB 4.3Å; L184-F230 HydrophobicContact CD2-CD2 3.84Å; L184-F230 HydrophobicContact CD2-CG 4.32Å; W214-F230 HydrophobicContact CH2-CB 4.34Å; K226-F230 WeakPolarHBondContact O-CB 2.89Å; K226-F230 PolarHBondContact O-N 3.06Å; E227-F230 PolarHBondContact O-N 3.05Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 2.98Å; F230-W233 HydrophobicContact CE2-CE3 4.41Å; F230-W233 PolarHBondContact O-N 3.42Å; F230-F234 HydrophobicContact CE1-CB 4.39Å; F230-F234 HydrophobicContact CE2-CB 4.13Å; F230-F234 HydrophobicContact CE2-CD2 4.44Å; F230-F234 HydrophobicContact CZ-CB 3.95Å; F230-F234 AromaticContact CZ-CD2 3.99Å; F230-F234 HydrophobicContact CZ-CD2 3.99Å; F230-F234 HydrophobicContact CZ-CG 4.19Å; F230-F234 VanDerWaalsContact O-CB 3.28Å; F230-F234 WeakPolarHBondContact O-CB 3.39Å; F230-F234 PolarHBondContact O-N 2.66Å; F230-I244 HydrophobicContact CE1-CD1 4.41Å; F230-I244 HydrophobicContact CE1-CG2 4.23Å; F230-I244 HydrophobicContact CZ-CD1 4.37Å; F230-I244 HydrophobicContact CZ-CG2 4.12Å; F230-M315 HydrophobicContact CE1-CE 4.24Å
231	L	98.4	Very high	97	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-42.3	179.3	-75	175.7	0	0	0	111.6	E227 V228 N235 M315 A320 L323 F324 L340	E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.12Å; E227-L231 PolarHBondContact O-N 3.39Å; V228-L231 PolarHBondContact O-N 2.86Å; L231-N235 WeakPolarHBondContact O-CB 3.41Å; L231-N235 PolarHBondContact O-N 3.41Å; L231-M315 HydrophobicContact CD2-CE 4.22Å; L231-A320 HydrophobicContact CD2-CB 4.33Å; L231-L323 HydrophobicContact CD1-CB 4.14Å; L231-L323 HydrophobicContact CD2-CB 4.36Å; L231-F324 HydrophobicContact CB-CB 4.02Å; L231-F324 HydrophobicContact CB-CD2 4.31Å; L231-L340 HydrophobicContact CD1-CD2 4.35Å
232	K	97.9	Very high	97.1	Very high	25 Å²	25	22.8 Å²	22.8	11%	0.109	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-48.5	173	-176.8	172.6	176.8	175.7	0	111.8	W92 Y129 V228 N229 F230 F234 N235 I236 F324	W92-K232 HydrophobicContact CE3-CD 4.33Å; W92-K232 HydrophobicContact CE3-CG 4.21Å; W92-K232 HydrophobicContact CH2-CB 4.28Å; W92-K232 HydrophobicContact CH2-CD 4.04Å; W92-K232 HydrophobicContact CH2-CG 4.31Å; W92-K232 HydrophobicContact CZ3-CB 3.79Å; W92-K232 HydrophobicContact CZ3-CD 3.77Å; W92-K232 HydrophobicContact CZ3-CG 3.62Å; Y129-K232 HydrophobicContact CD1-CB 4.4Å; Y129-K232 HydrophobicContact CD1-CD 3.46Å; Y129-K232 VanDerWaalsContact CD1-CD 3.46Å; Y129-K232 HydrophobicContact CD2-CD 4.27Å; Y129-K232 HydrophobicContact CE1-CB 3.78Å; Y129-K232 HydrophobicContact CE1-CD 3.33Å; Y129-K232 HydrophobicContact CE1-CG 4.17Å; Y129-K232 HydrophobicContact CE2-CD 4.16Å; Y129-K232 HydrophobicContact CG-CD 3.95Å; V228-K232 PolarHBondContact O-N 3.09Å; N229-K232 PolarHBondContact O-N 3.18Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 2.98Å; K232-F234 PolarHBondContact O-N 3.11Å; K232-N235 PolarHBondContact O-N 3.41Å; K232-I236 HydrophobicContact CG-CD1 3.91Å; K232-I236 WeakPolarHBondContact O-CD1 3.46Å; K232-I236 WeakPolarHBondContact O-CG1 3.33Å; K232-I236 PolarHBondContact O-N 3.1Å; K232-I236 VanDerWaalsContact O-N 3.11Å; K232-F324 HydrophobicContact CB-CD2 3.97Å; K232-F324 HydrophobicContact CB-CE2 3.49Å; K232-F324 VanDerWaalsContact CB-CE2 3.49Å; K232-F324 HydrophobicContact CB-CZ 4.22Å; K232-F324 HydrophobicContact CD-CE2 4.34Å; K232-F324 HydrophobicContact CG-CE2 3.8Å; K232-F324 HydrophobicContact CG-CZ 4.05Å
233	W	98.1	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-47.2	-179.5	-178.1	94.3	0	0	0	111.6	W92 M132 N135 H136 L182 L212 W214 N229 F230 N235 I236 Y237 C238	W92-W233 HydrophobicContact CE3-CB 4.4Å; W92-W233 HydrophobicContact CZ3-CB 3.98Å; M132-W233 VanDerWaalsContact SD-CD1 3.53Å; N135-W233 PolarHBondContact OD1-NE1 2.72Å; H136-W233 WeakPolarHBondContact O-CZ2 3.48Å; L182-W233 HydrophobicContact CD1-CE3 4.5Å; L182-W233 HydrophobicContact CD1-CH2 3.67Å; L182-W233 HydrophobicContact CD1-CZ3 3.59Å; L212-W233 HydrophobicContact CD1-CD2 3.52Å; L212-W233 HydrophobicContact CD1-CE3 3.71Å; L212-W233 HydrophobicContact CD1-CG 4.02Å; L212-W233 HydrophobicContact CD1-CH2 4.21Å; L212-W233 HydrophobicContact CD1-CZ2 4.02Å; L212-W233 HydrophobicContact CD1-CZ3 4.04Å; L212-W233 HydrophobicContact CD2-CZ2 3.84Å; W214-W233 HydrophobicContact CZ2-CB 4Å; W214-W233 HydrophobicContact CZ2-CG 4.28Å; N229-W233 VanDerWaalsContact O-CB 3.29Å; N229-W233 WeakPolarHBondContact O-CB 3.47Å; N229-W233 PolarHBondContact O-N 3.22Å; F230-W233 HydrophobicContact CE2-CE3 4.41Å; F230-W233 PolarHBondContact O-N 3.42Å; W233-N235 VanDerWaalsContact C-N 3.32Å; W233-N235 PolarHBondContact O-N 3.46Å; W233-I236 PolarHBondContact O-N 3.07Å; W233-Y237 AromaticContact CD1-CD2 3.41Å; W233-Y237 VanDerWaalsContact CD1-CD2 3.41Å; W233-Y237 AromaticContact CD1-CE2 3.53Å; W233-Y237 AromaticContact CD2-CD2 3.83Å; W233-Y237 HydrophobicContact CD2-CD2 3.83Å; W233-Y237 AromaticContact CE2-CD2 3.5Å; W233-Y237 AromaticContact CG-CD2 3.75Å; W233-Y237 HydrophobicContact CG-CD2 3.75Å; W233-Y237 HydrophobicContact CG-CE2 4.23Å; W233-Y237 HydrophobicContact CZ2-CD2 4.14Å; W233-Y237 HydrophobicContact CZ2-CG 4.35Å; W233-Y237 AromaticContact NE1-CD2 3.25Å; W233-Y237 VanDerWaalsContact NE1-CD2 3.25Å; W233-Y237 AromaticContact NE1-CE2 3.55Å; W233-Y237 VanDerWaalsContact O-CD2 3.29Å; W233-Y237 WeakPolarHBondContact O-CD2 3.35Å; W233-Y237 PolarHBondContact O-N 3.26Å; W233-C238 WeakPolarHBondContact CZ3-SG 3.37Å
234	F	97.8	Very high	97.2	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-42.4	177.4	179.6	-92.5	0	0	0	111.6	I148 F230 K232 I236 C238 V241 I244 S317 A320	I148-F234 HydrophobicContact CG2-CE2 4.16Å; F230-F234 HydrophobicContact CE1-CB 4.39Å; F230-F234 HydrophobicContact CE2-CB 4.13Å; F230-F234 HydrophobicContact CE2-CD2 4.44Å; F230-F234 HydrophobicContact CZ-CB 3.95Å; F230-F234 AromaticContact CZ-CD2 3.99Å; F230-F234 HydrophobicContact CZ-CD2 3.99Å; F230-F234 HydrophobicContact CZ-CG 4.19Å; F230-F234 VanDerWaalsContact O-CB 3.28Å; F230-F234 WeakPolarHBondContact O-CB 3.39Å; F230-F234 PolarHBondContact O-N 2.66Å; K232-F234 PolarHBondContact O-N 3.11Å; F234-I236 VanDerWaalsContact C-N 3.29Å; F234-I236 PolarHBondContact O-N 3.29Å; F234-C238 HydrophobicContact CD2-CB 3.48Å; F234-C238 VanDerWaalsContact CD2-CB 3.48Å; F234-C238 HydrophobicContact CE2-CB 3.44Å; F234-C238 VanDerWaalsContact CE2-CB 3.44Å; F234-C238 HydrophobicContact CG-CB 4.12Å; F234-C238 HydrophobicContact CZ-CB 4.03Å; F234-C238 WeakPolarHBondContact O-CA 3.38Å; F234-C238 WeakPolarHBondContact O-CB 3.4Å; F234-C238 PolarHBondContact O-N 2.88Å; F234-V241 HydrophobicContact CE2-CB 3.72Å; F234-V241 HydrophobicContact CE2-CG1 3.82Å; F234-V241 HydrophobicContact CE2-CG2 4Å; F234-V241 HydrophobicContact CZ-CB 3.78Å; F234-V241 HydrophobicContact CZ-CG1 4.01Å; F234-V241 HydrophobicContact CZ-CG2 4.49Å; F234-I244 HydrophobicContact CD1-CD1 3.99Å; F234-I244 HydrophobicContact CD2-CD1 3.9Å; F234-I244 HydrophobicContact CD2-CG1 4.26Å; F234-I244 HydrophobicContact CE1-CD1 3.74Å; F234-I244 HydrophobicContact CE2-CD1 3.63Å; F234-I244 HydrophobicContact CE2-CG1 3.71Å; F234-I244 HydrophobicContact CG-CD1 4.08Å; F234-I244 HydrophobicContact CZ-CD1 3.56Å; F234-I244 HydrophobicContact CZ-CG1 3.88Å; F234-S317 WeakPolarHBondContact CZ-OG 3.46Å; F234-A320 HydrophobicContact CD1-CB 4.3Å; F234-A320 HydrophobicContact CE1-CB 4.2Å
235	N	96.4	Very high	97.2	Very high	13 Å²	13	20.2 Å²	20.2	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-39.1	178.2	-179.4	71.1	0	0	0	112.2	T88 L231 K232 W233 R321 F324	T88-N235 VanDerWaalsContact CG2-ND2 3.34Å; T88-N235 WeakPolarHBondContact CG2-ND2 3.29Å; L231-N235 WeakPolarHBondContact O-CB 3.41Å; L231-N235 PolarHBondContact O-N 3.41Å; K232-N235 PolarHBondContact O-N 3.41Å; W233-N235 VanDerWaalsContact C-N 3.32Å; W233-N235 PolarHBondContact O-N 3.46Å; N235-R321 PolarHBondContact O-NH1 2.94Å; N235-R321 PolarHBondContact OD1-NH1 3.44Å; N235-F324 HydrophobicContact CB-CD1 3.96Å; N235-F324 HydrophobicContact CB-CE1 4.4Å; N235-F324 HydrophobicContact CB-CG 4.33Å
236	I	95.6	Very high	97.2	Very high	23 Å²	23	19.8 Å²	19.8	12%	0.118	9%	0.094	C	C	.	.	H	α-helix	trans	-72.4	-53.8	178.1	-64.7	159.4	0	0	0	111.2	P89 W92 K232 W233 F234	P89-I236 HydrophobicContact CB-CD1 4.23Å; P89-I236 HydrophobicContact CB-CG1 4Å; P89-I236 WeakPolarHBondContact O-CG1 3.39Å; W92-I236 HydrophobicContact CE3-CD1 3.88Å; K232-I236 HydrophobicContact CG-CD1 3.91Å; K232-I236 WeakPolarHBondContact O-CD1 3.46Å; K232-I236 WeakPolarHBondContact O-CG1 3.33Å; K232-I236 PolarHBondContact O-N 3.1Å; K232-I236 VanDerWaalsContact O-N 3.11Å; W233-I236 PolarHBondContact O-N 3.07Å; F234-I236 VanDerWaalsContact C-N 3.29Å; F234-I236 PolarHBondContact O-N 3.29Å
237	Y	96	Very high	97.2	Very high	49 Å²	49	19.8 Å²	19.8	19%	0.192	9%	0.094	C	C	.	.	H	α-helix	trans	-100.4	-14.1	-162.4	-62	-65.2	0	0	0	114.8	W92 P137 C140 W233 P239	W92-Y237 HydrophobicContact CB-CE2 4.31Å; W92-Y237 WeakPolarHBondContact CB-OH 3.48Å; W92-Y237 PolarHBondContact N-OH 2.85Å; P137-Y237 HydrophobicContact CB-CD1 3.42Å; P137-Y237 VanDerWaalsContact CB-CD1 3.42Å; P137-Y237 HydrophobicContact CB-CE1 3.69Å; P137-Y237 HydrophobicContact CB-CG 4.02Å; C140-Y237 WeakPolarHBondContact CB-O 3.34Å; W233-Y237 AromaticContact CD1-CD2 3.41Å; W233-Y237 VanDerWaalsContact CD1-CD2 3.41Å; W233-Y237 AromaticContact CD1-CE2 3.53Å; W233-Y237 AromaticContact CD2-CD2 3.83Å; W233-Y237 HydrophobicContact CD2-CD2 3.83Å; W233-Y237 AromaticContact CE2-CD2 3.5Å; W233-Y237 AromaticContact CG-CD2 3.75Å; W233-Y237 HydrophobicContact CG-CD2 3.75Å; W233-Y237 HydrophobicContact CG-CE2 4.23Å; W233-Y237 HydrophobicContact CZ2-CD2 4.14Å; W233-Y237 HydrophobicContact CZ2-CG 4.35Å; W233-Y237 AromaticContact NE1-CD2 3.25Å; W233-Y237 VanDerWaalsContact NE1-CD2 3.25Å; W233-Y237 AromaticContact NE1-CE2 3.55Å; W233-Y237 VanDerWaalsContact O-CD2 3.29Å; W233-Y237 WeakPolarHBondContact O-CD2 3.35Å; W233-Y237 PolarHBondContact O-N 3.26Å; Y237-P239 WeakPolarHBondContact O-CD 3.45Å
238	C	96.1	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.			trans	-119.2	58.9	-173.2	-60.5	0	0	0	0	114.1	C140 W233 F234 R240 V241 R321	C140-C238 HydrophobicContact CB-CB 3.74Å; C140-C238 WeakPolarHBondContact CB-SG 3.4Å; C140-C238 WeakPolarHBondContact SG-CB 3.42Å; C140-C238 CovalentContact SG-SG 2.05Å; C140-C238 PolarHBondContact SG-SG 3.46Å; W233-C238 WeakPolarHBondContact CZ3-SG 3.37Å; F234-C238 HydrophobicContact CD2-CB 3.48Å; F234-C238 VanDerWaalsContact CD2-CB 3.48Å; F234-C238 HydrophobicContact CE2-CB 3.44Å; F234-C238 VanDerWaalsContact CE2-CB 3.44Å; F234-C238 HydrophobicContact CG-CB 4.12Å; F234-C238 HydrophobicContact CZ-CB 4.03Å; F234-C238 WeakPolarHBondContact O-CA 3.38Å; F234-C238 WeakPolarHBondContact O-CB 3.4Å; F234-C238 PolarHBondContact O-N 2.88Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 2.98Å; C238-V241 HydrophobicContact CB-CB 4.34Å; C238-V241 HydrophobicContact CB-CG2 3.69Å; C238-R321 PolarHBondContact O-NH2 3.1Å
239	P	92.1	Very high	97.1	Very high	87 Å²	87	22.1 Å²	22.1	57%	0.565	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.8	-178.4	25.3	-33.4	0	0	0	114.1	Y237	Y237-P239 WeakPolarHBondContact O-CD 3.45Å
240	R	94.1	Very high	97.1	Very high	131 Å²	131	23 Å²	23	49%	0.494	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	1.9	-168.5	-63.2	-172.3	-70.6	-171.7	-4.7	115.1	A141 Q144 C238	A141-R240 PolarHBondContact O-NH2 2.84Å; Q144-R240 WeakPolarHBondContact CG-O 3.38Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 2.98Å
241	V	97	Very high	97	Very high	10 Å²	10	23 Å²	23	6%	0.061	11%	0.111	C	C	.	.			trans	-66.3	140.9	174.1	174.8	0	0	0	0	108.9	V145 I148 F234 C238 F243 S317	V145-V241 HydrophobicContact CB-CG2 3.95Å; V145-V241 HydrophobicContact CG1-CG2 4.18Å; V145-V241 VanDerWaalsContact O-CA 3.27Å; V145-V241 WeakPolarHBondContact O-CA 3.44Å; I148-V241 HydrophobicContact CB-CG1 4.23Å; I148-V241 HydrophobicContact CG2-CG1 3.83Å; F234-V241 HydrophobicContact CE2-CB 3.72Å; F234-V241 HydrophobicContact CE2-CG1 3.82Å; F234-V241 HydrophobicContact CE2-CG2 4Å; F234-V241 HydrophobicContact CZ-CB 3.78Å; F234-V241 HydrophobicContact CZ-CG1 4.01Å; F234-V241 HydrophobicContact CZ-CG2 4.49Å; C238-V241 HydrophobicContact CB-CB 4.34Å; C238-V241 HydrophobicContact CB-CG2 3.69Å; V241-F243 VanDerWaalsContact CG1-O 3.24Å; V241-F243 WeakPolarHBondContact CG1-O 3.3Å; V241-S317 WeakPolarHBondContact O-CB 3.06Å; V241-S317 PolarHBondContact O-OG 3.17Å
242	Q	96.7	Very high	97	Very high	69 Å²	69	23 Å²	23	32%	0.322	11%	0.111	S	C	.	.			trans	-94.2	-43.6	178.7	-61.2	-179.8	3.4	0	0	113.1	Q144 V145 H146 S317	Q144-Q242 VanDerWaalsContact NE2-NE2 3.14Å; V145-Q242 PolarHBondContact O-N 3.15Å; H146-Q242 PolarHBondContact CE1-OE1 3.13Å; H146-Q242 PolarHBondContact ND1-OE1 2.76Å; H146-Q242 WeakPolarHBondContact O-CB 3.39Å; Q242-S317 PolarHBondContact O-N 3.46Å; Q242-S317 PolarHBondContact O-OG 3.39Å
243	F	98.5	Very high	97	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.4	-177.2	-60.1	-79.4	0	0	0	112.1	H146 L147 I148 V241 I262 V266 D271 L274 M315	H146-F243 AromaticContact CE1-CD2 3.76Å; H146-F243 AromaticContact CE1-CE2 3.73Å; H146-F243 AromaticContact NE2-CD2 3.99Å; H146-F243 PolarHBondContact O-N 3.31Å; L147-F243 WeakPolarHBondContact CA-O 3.42Å; L147-F243 HydrophobicContact CD1-CB 3.87Å; I148-F243 PolarHBondContact N-O 2.99Å; V241-F243 VanDerWaalsContact CG1-O 3.24Å; V241-F243 WeakPolarHBondContact CG1-O 3.3Å; F243-I262 HydrophobicContact CB-CD1 4.24Å; F243-I262 HydrophobicContact CD1-CG2 4.11Å; F243-I262 HydrophobicContact CD2-CG2 3.48Å; F243-I262 VanDerWaalsContact CD2-CG2 3.48Å; F243-I262 HydrophobicContact CE1-CG2 4.03Å; F243-I262 HydrophobicContact CE2-CG2 3.4Å; F243-I262 HydrophobicContact CG-CD1 4.34Å; F243-I262 HydrophobicContact CG-CG2 3.86Å; F243-I262 HydrophobicContact CZ-CG2 3.69Å; F243-V266 HydrophobicContact CE2-CG2 4.02Å; F243-V266 HydrophobicContact CZ-CG2 3.6Å; F243-D271 HydrophobicContact CE1-CB 4.03Å; F243-D271 HydrophobicContact CZ-CB 3.97Å; F243-L274 HydrophobicContact CD1-CD2 3.88Å; F243-L274 HydrophobicContact CE1-CD2 3.83Å; F243-M315 WeakPolarHBondContact CA-O 3.33Å
244	I	98.7	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.6	174.9	-56.3	159.5	0	0	0	107.4	I148 V150 F230 F234 V314 M315 A320	I148-I244 HydrophobicContact CG2-CB 4.15Å; I148-I244 HydrophobicContact CG2-CG1 3.7Å; I148-I244 HydrophobicContact CG2-CG2 4.09Å; I148-I244 WeakPolarHBondContact O-CA 3.37Å; V150-I244 HydrophobicContact CB-CG2 4.32Å; V150-I244 HydrophobicContact CG2-CG2 3.82Å; F230-I244 HydrophobicContact CE1-CD1 4.41Å; F230-I244 HydrophobicContact CE1-CG2 4.23Å; F230-I244 HydrophobicContact CZ-CD1 4.37Å; F230-I244 HydrophobicContact CZ-CG2 4.12Å; F234-I244 HydrophobicContact CD1-CD1 3.99Å; F234-I244 HydrophobicContact CD2-CD1 3.9Å; F234-I244 HydrophobicContact CD2-CG1 4.26Å; F234-I244 HydrophobicContact CE1-CD1 3.74Å; F234-I244 HydrophobicContact CE2-CD1 3.63Å; F234-I244 HydrophobicContact CE2-CG1 3.71Å; F234-I244 HydrophobicContact CG-CD1 4.08Å; F234-I244 HydrophobicContact CZ-CD1 3.56Å; F234-I244 HydrophobicContact CZ-CG1 3.88Å; I244-V314 CarbonylContact O-C 3.53Å; I244-V314 WeakPolarHBondContact O-CA 3.26Å; I244-M315 HydrophobicContact CB-CE 4.02Å; I244-M315 HydrophobicContact CB-CG 3.96Å; I244-M315 HydrophobicContact CD1-CE 3.54Å; I244-M315 HydrophobicContact CD1-CG 4.32Å; I244-M315 HydrophobicContact CG1-CE 4.42Å; I244-M315 HydrophobicContact CG2-CE 3.88Å; I244-M315 PolarHBondContact N-O 3.4Å; I244-M315 PolarHBondContact O-N 3.33Å; I244-A320 HydrophobicContact CD1-CB 3.48Å; I244-A320 VanDerWaalsContact CD1-CB 3.48Å
245	F	98.7	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130	160	172.4	-93.2	0	0	0	107.8	L147 I148 M149 V150 W168 V253 L258 F313 F357 V382	L147-F245 HydrophobicContact CD1-CB 3.96Å; I148-F245 PolarHBondContact O-N 3.42Å; M149-F245 HydrophobicContact CE-CB 4.18Å; M149-F245 HydrophobicContact CE-CD1 3.29Å; M149-F245 HydrophobicContact CE-CE1 3.82Å; M149-F245 HydrophobicContact CE-CG 3.8Å; M149-F245 HydrophobicContact SD-CB 3.6Å; M149-F245 HydrophobicContact SD-CD1 3.83Å; M149-F245 HydrophobicContact SD-CG 3.93Å; V150-F245 PolarHBondContact N-O 3.42Å; W168-F245 HydrophobicContact CH2-CE1 4.48Å; W168-F245 HydrophobicContact CZ3-CE1 4.14Å; F245-V253 HydrophobicContact CE1-CG2 3.71Å; F245-V253 HydrophobicContact CE2-CG1 4.32Å; F245-V253 HydrophobicContact CE2-CG2 4.37Å; F245-V253 HydrophobicContact CZ-CG1 4.21Å; F245-V253 HydrophobicContact CZ-CG2 3.5Å; F245-V253 VanDerWaalsContact CZ-CG2 3.5Å; F245-L258 HydrophobicContact CB-CD2 4.01Å; F245-L258 HydrophobicContact CD2-CD1 4.35Å; F245-L258 HydrophobicContact CD2-CD2 3.78Å; F245-L258 HydrophobicContact CG-CD2 3.97Å; F245-F313 WeakPolarHBondContact CA-O 3.46Å; F245-F313 WeakPolarHBondContact CD2-O 3.5Å; F245-F357 HydrophobicContact CE2-CE1 4.27Å; F245-V382 HydrophobicContact CE2-CG2 3.62Å; F245-V382 HydrophobicContact CZ-CG2 3.89Å
246	K	98.2	Very high	97	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.6	173.8	-169.3	161.6	-172.6	165.8	0	110.2	V150 E227 G312 F313	V150-K246 VanDerWaalsContact O-CA 3.29Å; V150-K246 WeakPolarHBondContact O-CA 3.34Å; E227-K246 WeakPolarHBondContact OE1-CE 3.48Å; E227-K246 IonicContact OE1-NZ 3.99Å; E227-K246 PolarHBondContact OE1-NZ 3.38Å; E227-K246 VanDerWaalsContact OE2-CE 3.32Å; E227-K246 WeakPolarHBondContact OE2-CE 3.41Å; E227-K246 IonicContact OE2-NZ 2.77Å; E227-K246 PolarHBondContact OE2-NZ 2.98Å; K246-G312 CarbonylContact O-C 3.51Å; K246-G312 WeakPolarHBondContact O-CA 3.38Å; K246-F313 HydrophobicContact CB-CD1 4.48Å; K246-F313 HydrophobicContact CB-CD2 4.36Å; K246-F313 HydrophobicContact CB-CE1 4.01Å; K246-F313 HydrophobicContact CB-CE2 3.86Å; K246-F313 HydrophobicContact CB-CZ 3.68Å; K246-F313 HydrophobicContact CD-CE1 4.34Å; K246-F313 HydrophobicContact CD-CZ 3.82Å; K246-F313 HydrophobicContact CG-CE1 4.26Å; K246-F313 HydrophobicContact CG-CZ 4.06Å; K246-F313 PolarHBondContact N-O 2.89Å; K246-F313 PolarHBondContact O-N 3.46Å
247	G	97	Very high	97.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	179.1	178.5	0	0	0	0	0	113.8	V150 I151 K152	V150-G247 PolarHBondContact O-N 3.16Å; V150-G247 VanDerWaalsContact O-N 3.1Å; I151-G247 CarbonylContact C-O 3.44Å; I151-G247 WeakPolarHBondContact CA-O 3.15Å; K152-G247 PolarHBondContact N-O 2.93Å
248	D	97.7	Very high	97.2	Very high	37 Å²	37	24.4 Å²	24.4	20%	0.198	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	163.7	176.1	-66.9	-23.7	0	0	0	111.6	K152 D250 V251	K152-D248 WeakPolarHBondContact CE-OD1 3.32Å; K152-D248 IonicContact NZ-OD1 3.82Å; K152-D248 PolarHBondContact NZ-OD1 3.45Å; D248-D250 VanDerWaalsContact C-N 3.26Å; D248-D250 WeakPolarHBondContact CB-OD1 3.31Å; D248-D250 PolarHBondContact O-N 2.58Å; D248-V251 HydrophobicContact CB-CG1 4.1Å; D248-V251 WeakPolarHBondContact O-CG2 3.24Å
249	D	97.9	Very high	97.3	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.07	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2	177.6	66.6	10.5	0	0	0	114.5	I151 K152 S153 Q157 R160	I151-D249 HydrophobicContact CG2-CB 3.79Å; K152-D249 PolarHBondContact O-N 2.99Å; S153-D249 PolarHBondContact OG-OD2 3.02Å; Q157-D249 WeakPolarHBondContact CB-OD2 2.92Å; R160-D249 HydrophobicContact CB-CB 4.07Å; R160-D249 WeakPolarHBondContact CD-OD1 3.32Å; R160-D249 IonicContact CZ-OD1 3.49Å; R160-D249 IonicContact NE-OD1 3.2Å; R160-D249 IonicContact NH1-OD1 2.76Å; R160-D249 PolarHBondContact NH1-OD1 3.44Å
250	D	97.4	Very high	97.6	Very high	17 Å²	17	25.2 Å²	25.2	9%	0.091	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	28.4	179.9	65.6	-2.3	0	0	0	114.1	R160 D248 H384 K385 L386	R160-D250 IonicContact NH1-OD2 3.54Å; D248-D250 VanDerWaalsContact C-N 3.26Å; D248-D250 WeakPolarHBondContact CB-OD1 3.31Å; D248-D250 PolarHBondContact O-N 2.58Å; D250-H384 IonicContact OD1-CD2 2.68Å; D250-H384 PolarHBondContact OD1-CD2 3.03Å; D250-H384 VanDerWaalsContact OD1-CD2 3.27Å; D250-H384 IonicContact OD1-NE2 2.7Å; D250-H384 PolarHBondContact OD1-NE2 3.35Å; D250-H384 IonicContact OD2-NE2 2.75Å; D250-K385 HydrophobicContact CB-CB 4.32Å; D250-K385 CarbonylContact O-C 3.55Å; D250-K385 WeakPolarHBondContact O-CA 3.34Å; D250-K385 VanDerWaalsContact O-CB 3.27Å; D250-K385 WeakPolarHBondContact O-CB 3.37Å; D250-L386 PolarHBondContact O-N 2.87Å
251	V	97.6	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	160	-179.8	-54.6	0	0	0	0	111.5	W168 D248 V253 G311 V382 H384	W168-V251 HydrophobicContact CH2-CG2 4.06Å; W168-V251 HydrophobicContact CZ2-CG2 3.63Å; W168-V251 PolarHBondContact NE1-O 2.99Å; D248-V251 HydrophobicContact CB-CG1 4.1Å; D248-V251 WeakPolarHBondContact O-CG2 3.24Å; V251-V253 HydrophobicContact CG2-CG2 3.8Å; V251-G311 WeakPolarHBondContact CG1-O 3.12Å; V251-V382 HydrophobicContact CB-CG1 4.36Å; V251-H384 HydrophobicContact CG1-CB 4.37Å
252	F	98.1	Very high	97.9	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.2	161	179.7	-82.5	0	0	0	109.2	N254 Y377 V382 V383 L386 L391 M394 W395 V398	F252-N254 HydrophobicContact CE1-CB 4.01Å; F252-Y377 HydrophobicContact CB-CD1 3.75Å; F252-Y377 HydrophobicContact CB-CE1 3.72Å; F252-Y377 AromaticContact CD1-CD1 3.61Å; F252-Y377 HydrophobicContact CD1-CD1 3.61Å; F252-Y377 HydrophobicContact CD1-CE1 4.44Å; F252-Y377 AromaticContact CD2-CD1 3.92Å; F252-Y377 HydrophobicContact CD2-CD1 3.92Å; F252-Y377 HydrophobicContact CD2-CE1 4.47Å; F252-Y377 HydrophobicContact CE1-CD1 4.11Å; F252-Y377 HydrophobicContact CE2-CD1 4.38Å; F252-Y377 AromaticContact CG-CD1 3.5Å; F252-Y377 HydrophobicContact CG-CD1 3.5Å; F252-Y377 VanDerWaalsContact CG-CD1 3.5Å; F252-Y377 HydrophobicContact CG-CE1 4Å; F252-Y377 HydrophobicContact CZ-CD1 4.48Å; F252-V382 WeakPolarHBondContact O-CA 3.33Å; F252-V383 PolarHBondContact N-O 3.17Å; F252-V383 PolarHBondContact O-N 3.31Å; F252-L386 HydrophobicContact CB-CD1 3.98Å; F252-L386 HydrophobicContact CD2-CD1 4.43Å; F252-L391 HydrophobicContact CB-CD1 4.27Å; F252-L391 HydrophobicContact CD2-CD1 3.9Å; F252-L391 HydrophobicContact CG-CD1 4.5Å; F252-M394 HydrophobicContact CD2-CG 3.99Å; F252-M394 HydrophobicContact CE2-CG 4.07Å; F252-W395 HydrophobicContact CD2-CE3 4.31Å; F252-W395 AromaticContact CE2-CE3 3.59Å; F252-W395 HydrophobicContact CE2-CE3 3.59Å; F252-W395 HydrophobicContact CE2-CZ3 4.23Å; F252-W395 AromaticContact CZ-CE3 3.93Å; F252-W395 HydrophobicContact CZ-CE3 3.93Å; F252-W395 HydrophobicContact CZ-CZ3 4.16Å; F252-V398 HydrophobicContact CE2-CG2 4.27Å; F252-V398 HydrophobicContact CZ-CB 4.27Å; F252-V398 HydrophobicContact CZ-CG1 4.15Å; F252-V398 HydrophobicContact CZ-CG2 4.04Å
253	V	98.4	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121	172	-170.5	0	0	0	0	110.5	M149 W168 F245 V251 T255 L258 I381 V382 W395	M149-V253 HydrophobicContact CE-CB 4.46Å; M149-V253 HydrophobicContact CE-CG1 4.12Å; W168-V253 HydrophobicContact CB-CB 4.01Å; W168-V253 WeakPolarHBondContact CB-O 3.4Å; W168-V253 HydrophobicContact CD2-CB 3.85Å; W168-V253 HydrophobicContact CD2-CG2 3.71Å; W168-V253 HydrophobicContact CE3-CB 3.92Å; W168-V253 HydrophobicContact CE3-CG2 3.67Å; W168-V253 HydrophobicContact CG-CB 3.92Å; W168-V253 HydrophobicContact CG-CG2 4.25Å; W168-V253 HydrophobicContact CH2-CG2 4.15Å; W168-V253 HydrophobicContact CZ2-CG2 4.2Å; W168-V253 HydrophobicContact CZ3-CG2 3.91Å; F245-V253 HydrophobicContact CE1-CG2 3.71Å; F245-V253 HydrophobicContact CE2-CG1 4.32Å; F245-V253 HydrophobicContact CE2-CG2 4.37Å; F245-V253 HydrophobicContact CZ-CG1 4.21Å; F245-V253 HydrophobicContact CZ-CG2 3.5Å; F245-V253 VanDerWaalsContact CZ-CG2 3.5Å; V251-V253 HydrophobicContact CG2-CG2 3.8Å; V253-T255 PolarHBondContact O-N 2.61Å; V253-T255 VanDerWaalsContact O-N 3.16Å; V253-L258 HydrophobicContact CG1-CD2 4.09Å; V253-I381 CarbonylContact C-O 3.58Å; V253-I381 VanDerWaalsContact CA-O 3.28Å; V253-I381 WeakPolarHBondContact CA-O 3.46Å; V253-V382 HydrophobicContact CG1-CG2 4.45Å; V253-V382 HydrophobicContact CG2-CG2 4.43Å; V253-W395 WeakPolarHBondContact O-CZ3 3.33Å
254	N	98	Very high	97.9	Very high	11 Å²	11	21.4 Å²	21.4	6%	0.059	11%	0.105	C	C	.	.			trans	-79.1	96.2	167	-168.6	-34.1	0	0	0	109.1	F252 H256 N257 L258 K378 L380 I381	F252-N254 HydrophobicContact CE1-CB 4.01Å; N254-H256 PolarHBondContact O-N 3.43Å; N254-H256 PolarHBondContact OD1-N 2.67Å; N254-H256 VanDerWaalsContact OD1-N 3.15Å; N254-N257 HydrophobicContact CB-CB 4.11Å; N254-N257 VanDerWaalsContact CG-CG 3.42Å; N254-N257 PolarHBondContact ND2-ND2 2.99Å; N254-N257 VanDerWaalsContact ND2-ND2 3.13Å; N254-N257 PolarHBondContact ND2-OD1 3.17Å; N254-N257 PolarHBondContact O-N 2.83Å; N254-N257 PolarHBondContact OD1-N 3.4Å; N254-N257 PolarHBondContact OD1-OD1 3.21Å; N254-L258 PolarHBondContact O-N 3.4Å; N254-K378 PolarHBondContact ND2-O 3.45Å; N254-K378 VanDerWaalsContact ND2-O 3.12Å; N254-L380 VanDerWaalsContact CB-O 3.23Å; N254-L380 WeakPolarHBondContact CB-O 3.37Å; N254-I381 PolarHBondContact N-O 2.96Å
255	T	97.3	Very high	97.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-30.6	-177	-33.6	0	0	0	0	112.7	W168 I174 I179 V253 L259	W168-T255 PolarHBondContact O-OG1 2.65Å; I174-T255 HydrophobicContact CD1-CG2 4.21Å; I179-T255 HydrophobicContact CD1-CG2 3.51Å; V253-T255 PolarHBondContact O-N 2.61Å; V253-T255 VanDerWaalsContact O-N 3.16Å; T255-L259 WeakPolarHBondContact O-CG 3.27Å; T255-L259 PolarHBondContact O-N 2.85Å; T255-L259 VanDerWaalsContact O-N 3.11Å
256	H	96.4	Very high	97.7	Very high	101 Å²	101	25.2 Å²	25.2	47%	0.468	13%	0.127	S	C	.	.	H	α-helix	trans	-68.5	-52.7	179.5	-173.1	75.6	0	0	0	110.5	N254 L258 L259 E260	N254-H256 PolarHBondContact O-N 3.43Å; N254-H256 PolarHBondContact OD1-N 2.67Å; N254-H256 VanDerWaalsContact OD1-N 3.15Å; H256-L258 PolarHBondContact O-N 3.35Å; H256-L259 PolarHBondContact O-N 2.84Å; H256-L259 VanDerWaalsContact O-N 3.08Å; H256-E260 WeakPolarHBondContact O-CB 3.47Å; H256-E260 PolarHBondContact O-N 2.98Å
257	N	97.8	Very high	97.7	Very high	28 Å²	28	32 Å²	32	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-34.9	178.5	-59.9	4.1	0	0	0	111.4	N254 F261 K378 L380 I381	N254-N257 HydrophobicContact CB-CB 4.11Å; N254-N257 VanDerWaalsContact CG-CG 3.42Å; N254-N257 PolarHBondContact ND2-ND2 2.99Å; N254-N257 VanDerWaalsContact ND2-ND2 3.13Å; N254-N257 PolarHBondContact ND2-OD1 3.17Å; N254-N257 PolarHBondContact O-N 2.83Å; N254-N257 PolarHBondContact OD1-N 3.4Å; N254-N257 PolarHBondContact OD1-OD1 3.21Å; N257-F261 VanDerWaalsContact O-CB 3.3Å; N257-F261 WeakPolarHBondContact O-CB 3.44Å; N257-F261 PolarHBondContact O-N 3.41Å; N257-K378 PolarHBondContact ND2-O 3.3Å; N257-L380 PolarHBondContact ND2-O 3.3Å; N257-I381 HydrophobicContact CB-CG1 4Å
258	L	98.4	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-47.5	173.9	179.2	58.5	0	0	0	112.1	L147 M149 F245 V253 N254 H256 F261 I262 V314 F357 I381	L147-L258 HydrophobicContact CD2-CD2 3.78Å; L147-L258 HydrophobicContact CD2-CG 4.3Å; M149-L258 HydrophobicContact CE-CD2 4.32Å; M149-L258 HydrophobicContact SD-CD2 4.2Å; F245-L258 HydrophobicContact CB-CD2 4.01Å; F245-L258 HydrophobicContact CD2-CD1 4.35Å; F245-L258 HydrophobicContact CD2-CD2 3.78Å; F245-L258 HydrophobicContact CG-CD2 3.97Å; V253-L258 HydrophobicContact CG1-CD2 4.09Å; N254-L258 PolarHBondContact O-N 3.4Å; H256-L258 PolarHBondContact O-N 3.35Å; L258-F261 PolarHBondContact O-N 2.77Å; L258-I262 HydrophobicContact CD1-CD1 4.17Å; L258-I262 HydrophobicContact CG-CD1 4.15Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; L258-I262 PolarHBondContact O-N 3.04Å; L258-V314 HydrophobicContact CD1-CB 4.12Å; L258-V314 HydrophobicContact CD1-CG1 4.42Å; L258-V314 HydrophobicContact CD1-CG2 4.32Å; L258-F357 HydrophobicContact CD1-CZ 4.49Å; L258-I381 HydrophobicContact CB-CG2 3.88Å; L258-I381 HydrophobicContact CD1-CG2 4.01Å; L258-I381 HydrophobicContact CG-CG2 4.48Å
259	L	98.3	Very high	97.5	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-32.2	-179.8	-70.7	-179.5	0	0	0	113.2	L147 I174 K177 I179 T255 H256 G263	L147-L259 HydrophobicContact CB-CD2 4.37Å; L147-L259 HydrophobicContact CD2-CD2 3.87Å; I174-L259 HydrophobicContact CB-CD1 3.81Å; I174-L259 HydrophobicContact CD1-CD1 3.96Å; I174-L259 HydrophobicContact CG1-CD1 4.34Å; I174-L259 HydrophobicContact CG2-CD1 4.16Å; K177-L259 HydrophobicContact CB-CD1 4.45Å; K177-L259 HydrophobicContact CB-CD2 4.49Å; K177-L259 HydrophobicContact CD-CB 4.38Å; K177-L259 HydrophobicContact CD-CD1 4.35Å; K177-L259 HydrophobicContact CD-CD2 4.11Å; K177-L259 PolarHBondContact NZ-O 3.1Å; I179-L259 HydrophobicContact CD1-CD1 3.89Å; I179-L259 HydrophobicContact CD1-CD2 4.48Å; I179-L259 HydrophobicContact CD1-CG 4.48Å; T255-L259 WeakPolarHBondContact O-CG 3.27Å; T255-L259 PolarHBondContact O-N 2.85Å; T255-L259 VanDerWaalsContact O-N 3.11Å; H256-L259 PolarHBondContact O-N 2.84Å; H256-L259 VanDerWaalsContact O-N 3.08Å; L259-G263 PolarHBondContact O-N 2.71Å
260	E	97.7	Very high	97.3	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-49.6	173.1	-169.9	-174.4	-177	0	0	110	H256 I262 G263 F264	H256-E260 WeakPolarHBondContact O-CB 3.47Å; H256-E260 PolarHBondContact O-N 2.98Å; E260-I262 PolarHBondContact O-N 2.7Å; E260-G263 WeakPolarHBondContact O-CA 3.34Å; E260-G263 PolarHBondContact O-N 2.77Å; E260-F264 HydrophobicContact CG-CD2 4.24Å; E260-F264 HydrophobicContact CG-CE2 3.57Å; E260-F264 HydrophobicContact CG-CZ 4.07Å; E260-F264 WeakPolarHBondContact O-CD2 3.35Å; E260-F264 PolarHBondContact O-N 3.2Å
261	F	98.1	Very high	97.1	Very high	17 Å²	17	51.9 Å²	51.9	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-55.8	-47.6	174.5	170.8	-101.9	0	0	0	112.9	N257 L258 G263 F264 K265 L274 V276 V314 H354 I381	N257-F261 VanDerWaalsContact O-CB 3.3Å; N257-F261 WeakPolarHBondContact O-CB 3.44Å; N257-F261 PolarHBondContact O-N 3.41Å; L258-F261 PolarHBondContact O-N 2.77Å; F261-G263 VanDerWaalsContact C-N 3.26Å; F261-G263 PolarHBondContact O-N 2.93Å; F261-F264 PolarHBondContact O-N 2.82Å; F261-K265 HydrophobicContact CE1-CG 4.17Å; F261-K265 HydrophobicContact CE2-CD 4.41Å; F261-K265 VanDerWaalsContact CE2-CE 3.42Å; F261-K265 HydrophobicContact CE2-CG 4.09Å; F261-K265 HydrophobicContact CZ-CD 4.22Å; F261-K265 HydrophobicContact CZ-CG 3.82Å; F261-K265 PolarHBondContact O-N 2.73Å; F261-K265 VanDerWaalsContact O-N 3.14Å; F261-L274 HydrophobicContact CE1-CD1 4.4Å; F261-L274 HydrophobicContact CZ-CD1 4.44Å; F261-V276 HydrophobicContact CE1-CB 4.08Å; F261-V276 HydrophobicContact CE1-CG1 4.13Å; F261-V276 HydrophobicContact CE1-CG2 4.18Å; F261-V276 HydrophobicContact CZ-CB 3.97Å; F261-V276 HydrophobicContact CZ-CG1 3.68Å; F261-V276 HydrophobicContact CZ-CG2 3.88Å; F261-V314 HydrophobicContact CD1-CG1 4.2Å; F261-V314 HydrophobicContact CE1-CG1 3.74Å; F261-H354 AromaticContact CD2-CD2 3.79Å; F261-H354 AromaticContact CD2-NE2 3.66Å; F261-H354 AromaticContact CE2-CD2 3.47Å; F261-H354 VanDerWaalsContact CE2-CD2 3.47Å; F261-H354 WeakPolarHBondContact CE2-CD2 3.47Å; F261-H354 AromaticContact CE2-NE2 3.86Å; F261-I381 HydrophobicContact CB-CD1 3.95Å; F261-I381 HydrophobicContact CG-CD1 4.15Å
262	I	98.2	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-40.7	174.9	-69	166	0	0	0	110.4	L147 F243 L258 E260 K265 V266 V314	L147-I262 HydrophobicContact CD1-CD1 4.19Å; L147-I262 HydrophobicContact CD2-CD1 4.38Å; F243-I262 HydrophobicContact CB-CD1 4.24Å; F243-I262 HydrophobicContact CD1-CG2 4.11Å; F243-I262 HydrophobicContact CD2-CG2 3.48Å; F243-I262 VanDerWaalsContact CD2-CG2 3.48Å; F243-I262 HydrophobicContact CE1-CG2 4.03Å; F243-I262 HydrophobicContact CE2-CG2 3.4Å; F243-I262 HydrophobicContact CG-CD1 4.34Å; F243-I262 HydrophobicContact CG-CG2 3.86Å; F243-I262 HydrophobicContact CZ-CG2 3.69Å; L258-I262 HydrophobicContact CD1-CD1 4.17Å; L258-I262 HydrophobicContact CG-CD1 4.15Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; L258-I262 PolarHBondContact O-N 3.04Å; E260-I262 PolarHBondContact O-N 2.7Å; I262-K265 PolarHBondContact O-N 2.76Å; I262-V266 HydrophobicContact CG2-CG2 4.46Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 2.81Å; I262-V314 HydrophobicContact CD1-CG2 3.91Å; I262-V314 HydrophobicContact CG1-CG2 4.05Å
263	G	97.8	Very high	96.7	Very high	12 Å²	12	57.6 Å²	57.6	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-51.2	175.7	0	0	0	0	0	112.3	L259 E260 F261 K265 V266 E267	L259-G263 PolarHBondContact O-N 2.71Å; E260-G263 WeakPolarHBondContact O-CA 3.34Å; E260-G263 PolarHBondContact O-N 2.77Å; F261-G263 VanDerWaalsContact C-N 3.26Å; F261-G263 PolarHBondContact O-N 2.93Å; G263-K265 VanDerWaalsContact C-N 3.31Å; G263-K265 PolarHBondContact O-N 3.38Å; G263-V266 PolarHBondContact O-N 2.77Å; G263-V266 VanDerWaalsContact O-N 3.15Å; G263-E267 WeakPolarHBondContact O-CG 3.35Å; G263-E267 PolarHBondContact O-N 3.5Å
264	F	97.4	Very high	96.7	Very high	105 Å²	105	57.8 Å²	57.8	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-40.9	176.9	-68.4	-52.4	0	0	0	112.7	E260 F261 V266 E267 E268	E260-F264 HydrophobicContact CG-CD2 4.24Å; E260-F264 HydrophobicContact CG-CE2 3.57Å; E260-F264 HydrophobicContact CG-CZ 4.07Å; E260-F264 WeakPolarHBondContact O-CD2 3.35Å; E260-F264 PolarHBondContact O-N 3.2Å; F261-F264 PolarHBondContact O-N 2.82Å; F264-V266 VanDerWaalsContact C-N 3.33Å; F264-V266 PolarHBondContact O-N 3.35Å; F264-E267 PolarHBondContact O-N 3.14Å; F264-E268 WeakPolarHBondContact O-CB 3.46Å; F264-E268 WeakPolarHBondContact O-CG 3.45Å; F264-E268 PolarHBondContact O-N 3.11Å
265	K	97.6	Very high	96.7	Very high	16 Å²	16	57.5 Å²	57.5	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-36.2	178.1	-68.3	-70.3	-179.4	-179.3	0	113	F261 I262 G263 R269 K270 L274 E352	F261-K265 HydrophobicContact CE1-CG 4.17Å; F261-K265 HydrophobicContact CE2-CD 4.41Å; F261-K265 VanDerWaalsContact CE2-CE 3.42Å; F261-K265 HydrophobicContact CE2-CG 4.09Å; F261-K265 HydrophobicContact CZ-CD 4.22Å; F261-K265 HydrophobicContact CZ-CG 3.82Å; F261-K265 PolarHBondContact O-N 2.73Å; F261-K265 VanDerWaalsContact O-N 3.14Å; I262-K265 PolarHBondContact O-N 2.76Å; G263-K265 VanDerWaalsContact C-N 3.31Å; G263-K265 PolarHBondContact O-N 3.38Å; K265-R269 PolarHBondContact O-N 3.44Å; K265-K270 HydrophobicContact CD-CB 4.44Å; K265-K270 PolarHBondContact O-N 2.99Å; K265-L274 HydrophobicContact CB-CD1 4.04Å; K265-L274 HydrophobicContact CD-CD1 3.82Å; K265-L274 HydrophobicContact CG-CD1 3.64Å; K265-E352 IonicContact NZ-OE1 3.5Å; K265-E352 PolarHBondContact NZ-OE1 3.44Å; K265-E352 IonicContact NZ-OE2 3.58Å; K265-E352 PolarHBondContact NZ-OE2 2.91Å
266	V	97.1	Very high	96.8	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-44.5	174.6	171.7	0	0	0	0	110.9	F243 I262 G263 F264 E268 R269 D271	F243-V266 HydrophobicContact CE2-CG2 4.02Å; F243-V266 HydrophobicContact CZ-CG2 3.6Å; I262-V266 HydrophobicContact CG2-CG2 4.46Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 2.81Å; G263-V266 PolarHBondContact O-N 2.77Å; G263-V266 VanDerWaalsContact O-N 3.15Å; F264-V266 VanDerWaalsContact C-N 3.33Å; F264-V266 PolarHBondContact O-N 3.35Å; V266-E268 VanDerWaalsContact C-N 3.28Å; V266-E268 PolarHBondContact O-N 3.42Å; V266-R269 PolarHBondContact O-N 3.42Å; V266-D271 HydrophobicContact CG2-CB 3.99Å
267	E	96.9	Very high	96.8	Very high	145 Å²	145	52.6 Å²	52.6	68%	0.678	25%	0.25	S	S	*	.	H	α-helix	trans	-60.2	-39	177	-72.1	169.5	-168.8	0	0	111.9	G263 F264 R269	G263-E267 WeakPolarHBondContact O-CG 3.35Å; G263-E267 PolarHBondContact O-N 3.5Å; F264-E267 PolarHBondContact O-N 3.14Å; E267-R269 PolarHBondContact O-N 2.96Å
268	E	96.3	Very high	96.8	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.1	175.1	-69.7	-170.7	169.1	0	0	114.4	F264 V266 K270	F264-E268 WeakPolarHBondContact O-CB 3.46Å; F264-E268 WeakPolarHBondContact O-CG 3.45Å; F264-E268 PolarHBondContact O-N 3.11Å; V266-E268 VanDerWaalsContact C-N 3.28Å; V266-E268 PolarHBondContact O-N 3.42Å; E268-K270 HydrophobicContact CB-CB 4.42Å; E268-K270 HydrophobicContact CB-CD 4.22Å; E268-K270 HydrophobicContact CB-CG 4.06Å; E268-K270 PolarHBondContact O-N 3.43Å; E268-K270 WeakPolarHBondContact OE2-CD 3.44Å; E268-K270 WeakPolarHBondContact OE2-CE 3.15Å; E268-K270 IonicContact OE2-NZ 3.33Å; E268-K270 PolarHBondContact OE2-NZ 3.2Å
269	R	95.4	Very high	96.7	Very high	222 Å²	222	53.4 Å²	53.4	84%	0.838	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	36.3	-172.3	-52.9	-178.7	-180	177.3	-0.2	113.2	K265 V266 E267	K265-R269 PolarHBondContact O-N 3.44Å; V266-R269 PolarHBondContact O-N 3.42Å; E267-R269 PolarHBondContact O-N 2.96Å
270	K	93.1	Very high	96.6	Very high	118 Å²	118	54.7 Å²	54.7	51%	0.513	26%	0.262	S	S	.	.			trans	-111.3	25.5	178.2	-64.8	-176.1	-165.7	150.8	0	112.1	K265 E268	K265-K270 HydrophobicContact CD-CB 4.44Å; K265-K270 PolarHBondContact O-N 2.99Å; E268-K270 HydrophobicContact CB-CB 4.42Å; E268-K270 HydrophobicContact CB-CD 4.22Å; E268-K270 HydrophobicContact CB-CG 4.06Å; E268-K270 PolarHBondContact O-N 3.43Å; E268-K270 WeakPolarHBondContact OE2-CD 3.44Å; E268-K270 WeakPolarHBondContact OE2-CE 3.15Å; E268-K270 IonicContact OE2-NZ 3.33Å; E268-K270 PolarHBondContact OE2-NZ 3.2Å
271	D	93.1	Very high	96.5	Very high	41 Å²	41	53.7 Å²	53.7	22%	0.219	27%	0.265	C	S	.	.			trans	-92.8	-21.4	-173.5	64	-62.1	0	0	0	113.9	F243 V266 D273 L274 S316	F243-D271 HydrophobicContact CE1-CB 4.03Å; F243-D271 HydrophobicContact CZ-CB 3.97Å; V266-D271 HydrophobicContact CG2-CB 3.99Å; D271-D273 PolarHBondContact O-N 2.76Å; D271-L274 WeakPolarHBondContact O-CB 3.48Å; D271-L274 PolarHBondContact O-N 2.76Å; D271-S316 WeakPolarHBondContact O-CB 3.23Å
272	S	92.3	Very high	96.3	Very high	49 Å²	49	62.4 Å²	62.4	34%	0.343	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-44.3	-175.8	56.1	0	0	0	0	113.5	S316	S272-S316 PolarHBondContact O-OG 2.72Å
273	D	95.2	Very high	96.2	Very high	71 Å²	71	63.3 Å²	63.3	38%	0.38	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	23.9	180	-76.5	0.7	0	0	0	112.7	D271 F275 R322	D271-D273 PolarHBondContact O-N 2.76Å; D273-F275 PolarHBondContact O-N 2.86Å; D273-R322 IonicContact OD1-CZ 3Å; D273-R322 IonicContact OD1-NH1 3.27Å; D273-R322 PolarHBondContact OD1-NH1 3.29Å; D273-R322 IonicContact OD2-NH1 3.42Å; D273-R322 PolarHBondContact OD2-NH1 3.49Å
274	L	98	Very high	96.1	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	33%	0.334	C	S	.	.			trans	-59.6	121	-179	-170.1	75.1	0	0	0	110.9	F243 F261 K265 D271 V276 V314 M315 S316 L319	F243-L274 HydrophobicContact CD1-CD2 3.88Å; F243-L274 HydrophobicContact CE1-CD2 3.83Å; F261-L274 HydrophobicContact CE1-CD1 4.4Å; F261-L274 HydrophobicContact CZ-CD1 4.44Å; K265-L274 HydrophobicContact CB-CD1 4.04Å; K265-L274 HydrophobicContact CD-CD1 3.82Å; K265-L274 HydrophobicContact CG-CD1 3.64Å; D271-L274 WeakPolarHBondContact O-CB 3.48Å; D271-L274 PolarHBondContact O-N 2.76Å; L274-V276 HydrophobicContact CD1-CG2 3.42Å; L274-V276 VanDerWaalsContact CD1-CG2 3.42Å; L274-V276 HydrophobicContact CG-CG2 3.95Å; L274-V314 HydrophobicContact CD2-CG1 4.34Å; L274-V314 HydrophobicContact CD2-CG2 4.24Å; L274-M315 CarbonylContact O-C 3.58Å; L274-M315 WeakPolarHBondContact O-CA 3.49Å; L274-M315 WeakPolarHBondContact O-CB 3.37Å; L274-S316 PolarHBondContact O-N 3.39Å; L274-L319 WeakPolarHBondContact O-CD2 3.33Å
275	F	98.4	Very high	96.2	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	99.7	167.5	-159.8	-82.2	0	0	0	109.1	D273 V308 F313 V314 M315 L319 L323 L340 L344 P351 E352	D273-F275 PolarHBondContact O-N 2.86Å; F275-V308 HydrophobicContact CD1-CG2 3.7Å; F275-V308 HydrophobicContact CE1-CB 3.93Å; F275-V308 HydrophobicContact CE1-CG2 3.53Å; F275-F313 HydrophobicContact CE1-CD2 4.14Å; F275-F313 HydrophobicContact CE1-CE2 4.43Å; F275-F313 HydrophobicContact CE1-CG 4.37Å; F275-F313 AromaticContact CE2-CD2 3.96Å; F275-F313 HydrophobicContact CE2-CD2 3.96Å; F275-F313 AromaticContact CE2-CE2 3.68Å; F275-F313 HydrophobicContact CE2-CE2 3.68Å; F275-F313 HydrophobicContact CE2-CZ 4.41Å; F275-F313 AromaticContact CZ-CD2 3.69Å; F275-F313 HydrophobicContact CZ-CD2 3.69Å; F275-F313 AromaticContact CZ-CE2 3.55Å; F275-F313 HydrophobicContact CZ-CE2 3.55Å; F275-F313 HydrophobicContact CZ-CG 4.24Å; F275-F313 AromaticContact CZ-CZ 3.98Å; F275-F313 HydrophobicContact CZ-CZ 3.98Å; F275-V314 CarbonylContact C-O 3.58Å; F275-V314 WeakPolarHBondContact CA-O 3.26Å; F275-M315 HydrophobicContact CD2-CB 3.72Å; F275-M315 HydrophobicContact CD2-SD 4.27Å; F275-M315 HydrophobicContact CE2-CB 4.2Å; F275-M315 HydrophobicContact CE2-SD 3.92Å; F275-L319 HydrophobicContact CB-CD2 3.56Å; F275-L319 HydrophobicContact CD2-CD2 3.81Å; F275-L319 HydrophobicContact CG-CD2 4.13Å; F275-L323 HydrophobicContact CD2-CD1 4.04Å; F275-L323 HydrophobicContact CE2-CD1 3.73Å; F275-L340 HydrophobicContact CZ-CD1 4.29Å; F275-L344 HydrophobicContact CB-CD2 4.48Å; F275-L344 HydrophobicContact CD1-CD1 3.74Å; F275-L344 HydrophobicContact CD2-CD1 4.4Å; F275-L344 HydrophobicContact CD2-CD2 4.17Å; F275-L344 HydrophobicContact CE1-CD1 3.75Å; F275-L344 HydrophobicContact CE2-CD1 4.41Å; F275-L344 HydrophobicContact CG-CD1 4.07Å; F275-L344 HydrophobicContact CG-CD2 4.2Å; F275-L344 HydrophobicContact CZ-CD1 4.1Å; F275-P351 HydrophobicContact CD1-CB 3.85Å; F275-P351 HydrophobicContact CE1-CB 4.5Å; F275-P351 WeakPolarHBondContact O-CA 3.28Å; F275-E352 PolarHBondContact O-N 3.25Å
276	V	98.4	Very high	96.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	-165.5	-171.8	0	0	0	0	112	F261 L274 F313 V314 E352 H354 F357	F261-V276 HydrophobicContact CE1-CB 4.08Å; F261-V276 HydrophobicContact CE1-CG1 4.13Å; F261-V276 HydrophobicContact CE1-CG2 4.18Å; F261-V276 HydrophobicContact CZ-CB 3.97Å; F261-V276 HydrophobicContact CZ-CG1 3.68Å; F261-V276 HydrophobicContact CZ-CG2 3.88Å; L274-V276 HydrophobicContact CD1-CG2 3.42Å; L274-V276 VanDerWaalsContact CD1-CG2 3.42Å; L274-V276 HydrophobicContact CG-CG2 3.95Å; V276-F313 CarbonylContact O-C 3.51Å; V276-F313 VanDerWaalsContact O-CA 3.26Å; V276-F313 WeakPolarHBondContact O-CA 3.32Å; V276-F313 WeakPolarHBondContact O-CB 3.48Å; V276-V314 HydrophobicContact CB-CG1 3.98Å; V276-V314 PolarHBondContact N-O 3.21Å; V276-V314 PolarHBondContact O-N 3.43Å; V276-E352 WeakPolarHBondContact CA-O 3.29Å; V276-E352 HydrophobicContact CB-CB 4.39Å; V276-E352 HydrophobicContact CG1-CB 4.21Å; V276-E352 HydrophobicContact CG2-CB 3.81Å; V276-H354 HydrophobicContact CG1-CB 3.42Å; V276-H354 VanDerWaalsContact CG1-CB 3.42Å; V276-F357 HydrophobicContact CG1-CE2 4.43Å
277	G	97.8	Very high	96.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-145.9	168.1	0	0	0	0	0	112.4	T279 E352 L353 H354	G277-T279 PolarHBondContact O-N 3.19Å; G277-T279 VanDerWaalsContact O-N 3.16Å; G277-E352 PolarHBondContact N-O 3.24Å; G277-L353 WeakPolarHBondContact O-CA 3.29Å; G277-H354 PolarHBondContact O-N 3.43Å
278	D	96.7	Very high	96.2	Very high	28 Å²	28	64.7 Å²	64.7	15%	0.15	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	87.1	174.1	-164.1	-1.4	0	0	0	109.8	G309 F357 T359	D278-G309 PolarHBondContact O-N 2.9Å; D278-F357 HydrophobicContact CB-CB 4.21Å; D278-T359 HydrophobicContact CB-CG2 3.75Å; D278-T359 WeakPolarHBondContact CB-OG1 3.11Å; D278-T359 PolarHBondContact OD2-N 3.42Å; D278-T359 PolarHBondContact OD2-OG1 3.2Å; D278-T359 VanDerWaalsContact OD2-OG1 3.05Å
279	T	97.3	Very high	96.2	Very high	18 Å²	18	66.7 Å²	66.7	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.6	-176	-66.2	0	0	0	0	111.7	G277 P306 Y307 P351 E352 L353	G277-T279 PolarHBondContact O-N 3.19Å; G277-T279 VanDerWaalsContact O-N 3.16Å; T279-P306 HydrophobicContact CG2-CB 4.48Å; T279-Y307 CarbonylContact C-O 3.57Å; T279-Y307 WeakPolarHBondContact CA-O 3.11Å; T279-P351 HydrophobicContact CG2-CB 4.36Å; T279-P351 HydrophobicContact CG2-CG 3.85Å; T279-E352 VanDerWaalsContact OG1-C 3.24Å; T279-E352 PolarHBondContact OG1-O 2.8Å; T279-L353 PolarHBondContact OG1-N 2.84Å
280	I	95.6	Very high	96.2	Very high	35 Å²	35	64.6 Å²	64.6	18%	0.179	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	176.6	-55.9	171	0	0	0	108.5	A283 P306 Y307 F360	I280-A283 HydrophobicContact CG2-CB 3.89Å; I280-P306 WeakPolarHBondContact O-CA 3.43Å; I280-Y307 HydrophobicContact CB-CD1 4.49Å; I280-Y307 HydrophobicContact CB-CE1 4.08Å; I280-Y307 HydrophobicContact CB-CE2 4.29Å; I280-Y307 HydrophobicContact CD1-CE2 3.66Å; I280-Y307 HydrophobicContact CG1-CE2 4.45Å; I280-Y307 HydrophobicContact CG2-CE1 4.07Å; I280-Y307 PolarHBondContact N-O 3.27Å; I280-Y307 PolarHBondContact O-N 3.15Å; I280-F360 HydrophobicContact CD1-CE2 3.78Å; I280-F360 HydrophobicContact CD1-CZ 3.73Å; I280-F360 HydrophobicContact CG1-CE2 4.36Å
281	S	95.6	Very high	96.3	Very high	73 Å²	73	60.3 Å²	60.3	51%	0.51	30%	0.303	S	S	.	.			trans	-114.9	154.2	179.2	-69.8	0	0	0	0	111.5	A283	S281-A283 PolarHBondContact O-N 3.27Å; S281-A283 VanDerWaalsContact O-N 3.12Å
282	K	94.2	Very high	96.4	Very high	201 Å²	201	64.7 Å²	64.7	87%	0.874	32%	0.32	S	S	*	.	S	Bend	trans	57.3	23.9	177.2	-52.9	177.7	-178.7	178.1	0	113.9
283	A	95.8	Very high	96.5	Very high	19 Å²	19	66.5 Å²	66.5	16%	0.157	32%	0.32	C	S	.	.			trans	-70	145.4	175.6	0	0	0	0	0	110.9	I280 S281 Y304 Y307	I280-A283 HydrophobicContact CG2-CB 3.89Å; S281-A283 PolarHBondContact O-N 3.27Å; S281-A283 VanDerWaalsContact O-N 3.12Å; A283-Y304 HydrophobicContact CB-CD2 4.08Å; A283-Y304 PolarHBondContact O-N 3.36Å; A283-Y307 HydrophobicContact CB-CE1 3.89Å
284	I	97.1	Very high	96.6	Very high	120 Å²	120	64.2 Å²	64.2	62%	0.615	31%	0.306	S	S	*	.			trans	-119.2	152.3	171.5	55.4	166.2	0	0	0	109.6	I286 P303	I284-I286 PolarHBondContact O-N 3.4Å; I284-P303 HydrophobicContact CG2-CB 4.21Å; I284-P303 HydrophobicContact CG2-CG 4.42Å
285	P	97.8	Very high	96.6	Very high	5 Å²	5	64 Å²	64	3%	0.032	31%	0.305	C	S	.	.			trans	-56.8	132.5	177.1	-21.9	30.3	0	0	0	111.9	R287 I295 Y300 Q302 Y304	P285-R287 PolarHBondContact O-N 2.85Å; P285-I295 HydrophobicContact CB-CB 4Å; P285-I295 HydrophobicContact CB-CG2 4.13Å; P285-Y300 HydrophobicContact CG-CD1 3.7Å; P285-Y300 HydrophobicContact CG-CE1 4.34Å; P285-Q302 WeakPolarHBondContact CD-O 3.39Å; P285-Q302 WeakPolarHBondContact CG-O 3.37Å; P285-Y304 WeakPolarHBondContact CA-OH 3.44Å; P285-Y304 HydrophobicContact CB-CE1 4.43Å; P285-Y304 HydrophobicContact CB-CE2 4.3Å; P285-Y304 VanDerWaalsContact CB-OH 3.25Å; P285-Y304 WeakPolarHBondContact CB-OH 3.37Å; P285-Y304 HydrophobicContact CG-CD1 4.5Å; P285-Y304 HydrophobicContact CG-CE1 3.79Å; P285-Y304 HydrophobicContact CG-CE2 4.19Å
286	I	97.6	Very high	96.6	Very high	75 Å²	75	63.9 Å²	63.9	39%	0.385	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-72.1	124.3	178.7	-59.3	-173.9	0	0	0	109.2	I284 N288 Y294 I295	I284-I286 PolarHBondContact O-N 3.4Å; I286-N288 HydrophobicContact CG2-CB 4.12Å; I286-Y294 CarbonylContact O-C 3.58Å; I286-Y294 WeakPolarHBondContact O-CA 3.42Å; I286-Y294 WeakPolarHBondContact O-CD2 3.23Å; I286-I295 PolarHBondContact O-N 3.08Å
287	R	97.1	Very high	96.5	Very high	82 Å²	82	70 Å²	70	31%	0.309	33%	0.331	S	S	.	.			trans	-96.8	-3.5	-178.4	-53.6	-52.4	-171.9	-173.2	0.9	114.4	P285 R289 Y294 I295 P296 Y300 D301	P285-R287 PolarHBondContact O-N 2.85Å; R287-R289 PolarHBondContact O-N 3.45Å; R287-Y294 WeakPolarHBondContact O-CE2 3.49Å; R287-I295 WeakPolarHBondContact CD-O 3.38Å; R287-I295 PolarHBondContact NH1-O 3.37Å; R287-P296 VanDerWaalsContact NH1-C 3.34Å; R287-P296 PolarHBondContact NH1-O 3.48Å; R287-Y300 VanDerWaalsContact CZ-O 3.29Å; R287-Y300 PolarHBondContact NH1-O 2.89Å; R287-Y300 PolarHBondContact NH2-O 3.33Å; R287-D301 IonicContact CZ-OD1 2.72Å; R287-D301 IonicContact NH2-OD1 3.66Å; R287-D301 PolarHBondContact NH2-OD1 2.94Å
288	N	97.3	Very high	96.4	Very high	88 Å²	88	73.7 Å²	73.7	47%	0.471	35%	0.348	S	S	.	.			trans	-74.3	112.5	172.9	178.4	-0.8	0	0	0	110.4	I286 Q290 S291 Y294	I286-N288 HydrophobicContact CG2-CB 4.12Å; N288-Q290 PolarHBondContact O-N 3.2Å; N288-Q290 VanDerWaalsContact O-N 3.13Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.14Å; N288-Q290 PolarHBondContact OD1-N 3.11Å; N288-S291 VanDerWaalsContact O-CB 3.27Å; N288-S291 WeakPolarHBondContact O-CB 3.35Å; N288-S291 PolarHBondContact O-N 3.28Å; N288-Y294 WeakPolarHBondContact O-CB 3.31Å
289	R	95.9	Very high	96.3	Very high	146 Å²	146	73.6 Å²	73.6	55%	0.551	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.2	-179.4	-76.1	-177.2	138.6	-172.6	-3.8	115.4	D115 R117 R287 S291 Y294	D115-R289 IonicContact OD2-NE 3.01Å; D115-R289 IonicContact OD2-NH2 3.63Å; R117-R289 PolarHBondContact NH1-O 3.29Å; R117-R289 PolarHBondContact NH2-O 3.39Å; R287-R289 PolarHBondContact O-N 3.45Å; R289-S291 VanDerWaalsContact C-N 3.34Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CD2 4.18Å; R289-Y294 HydrophobicContact CG-CE1 4.02Å; R289-Y294 HydrophobicContact CG-CE2 3.7Å
290	Q	95.6	Very high	96.2	Very high	179 Å²	179	75.2 Å²	75.2	84%	0.836	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-16.6	177.9	-61.5	177.7	-7.8	0	0	112.8	N288	N288-Q290 PolarHBondContact O-N 3.2Å; N288-Q290 VanDerWaalsContact O-N 3.13Å; N288-Q290 WeakPolarHBondContact OD1-CB 3.14Å; N288-Q290 PolarHBondContact OD1-N 3.11Å
291	S	96.1	Very high	96.3	Very high	27 Å²	27	77.5 Å²	77.5	19%	0.189	37%	0.365	C	S	.	.	S	Bend	trans	-70.5	137.1	176.2	-178.1	0	0	0	0	110.4	N288 R289 Y293 Y294	N288-S291 VanDerWaalsContact O-CB 3.27Å; N288-S291 WeakPolarHBondContact O-CB 3.35Å; N288-S291 PolarHBondContact O-N 3.28Å; R289-S291 VanDerWaalsContact C-N 3.34Å; S291-Y293 PolarHBondContact O-N 2.99Å; S291-Y293 PolarHBondContact OG-N 3.34Å; S291-Y293 VanDerWaalsContact OG-N 3.14Å; S291-Y294 WeakPolarHBondContact O-CB 3.46Å; S291-Y294 PolarHBondContact O-N 3.1Å
292	K	93.9	Very high	96.3	Very high	133 Å²	133	79.2 Å²	79.2	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.7	168.9	71	173.5	-168.5	162.8	0	112.9	F220	F220-K292 WeakPolarHBondContact CE1-O 3.39Å
293	Y	95.9	Very high	96.5	Very high	88 Å²	88	73.3 Å²	73.3	35%	0.345	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.3	176.8	-57.8	-71.4	0	0	0	112.3	F220 S291 I295 I335	F220-Y293 HydrophobicContact CE1-CD1 4.39Å; F220-Y293 HydrophobicContact CE2-CD1 4.48Å; F220-Y293 HydrophobicContact CE2-CE1 4.06Å; F220-Y293 AromaticContact CZ-CD1 3.63Å; F220-Y293 HydrophobicContact CZ-CD1 3.63Å; F220-Y293 AromaticContact CZ-CE1 3.64Å; F220-Y293 HydrophobicContact CZ-CE1 3.64Å; S291-Y293 PolarHBondContact O-N 2.99Å; S291-Y293 PolarHBondContact OG-N 3.34Å; S291-Y293 VanDerWaalsContact OG-N 3.14Å; Y293-I295 PolarHBondContact O-N 2.57Å; Y293-I335 HydrophobicContact CD1-CD1 4.42Å
294	Y	97.7	Very high	96.6	Very high	23 Å²	23	73.2 Å²	73.2	9%	0.09	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-56.1	137.4	173.6	170.6	-114.2	0	0	0	110.3	D115 R117 F118 I286 R287 N288 R289 S291 P296	D115-Y294 HydrophobicContact CB-CE1 4.25Å; R117-Y294 VanDerWaalsContact NH2-CD1 3.31Å; F118-Y294 AromaticContact CE2-CD1 3.83Å; F118-Y294 HydrophobicContact CE2-CD1 3.83Å; F118-Y294 AromaticContact CE2-CE1 3.96Å; F118-Y294 HydrophobicContact CE2-CE1 3.96Å; F118-Y294 HydrophobicContact CZ-CD1 4.14Å; F118-Y294 VanDerWaalsContact CZ-O 3.31Å; F118-Y294 WeakPolarHBondContact CZ-O 3.4Å; I286-Y294 CarbonylContact O-C 3.58Å; I286-Y294 WeakPolarHBondContact O-CA 3.42Å; I286-Y294 WeakPolarHBondContact O-CD2 3.23Å; R287-Y294 WeakPolarHBondContact O-CE2 3.49Å; N288-Y294 WeakPolarHBondContact O-CB 3.31Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CD2 4.18Å; R289-Y294 HydrophobicContact CG-CE1 4.02Å; R289-Y294 HydrophobicContact CG-CE2 3.7Å; S291-Y294 WeakPolarHBondContact O-CB 3.46Å; S291-Y294 PolarHBondContact O-N 3.1Å; Y294-P296 HydrophobicContact CE1-CB 4.27Å; Y294-P296 HydrophobicContact CE1-CG 4.45Å
295	I	98.1	Very high	96.6	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.316	C	S	.	.			trans	-135.6	126.1	171.5	-65.6	-67.5	0	0	0	108.5	F118 P285 I286 R287 Y293 L299 Y304 Y333 P334 I335	F118-I295 HydrophobicContact CE1-CD1 3.91Å; F118-I295 HydrophobicContact CZ-CD1 4.29Å; P285-I295 HydrophobicContact CB-CB 4Å; P285-I295 HydrophobicContact CB-CG2 4.13Å; I286-I295 PolarHBondContact O-N 3.08Å; R287-I295 WeakPolarHBondContact CD-O 3.38Å; R287-I295 PolarHBondContact NH1-O 3.37Å; Y293-I295 PolarHBondContact O-N 2.57Å; I295-L299 HydrophobicContact CD1-CD2 4.45Å; I295-Y304 WeakPolarHBondContact CG1-OH 3.35Å; I295-Y333 HydrophobicContact CD1-CE1 4.46Å; I295-Y333 WeakPolarHBondContact CG1-OH 3.33Å; I295-Y333 VanDerWaalsContact CG2-OH 3.3Å; I295-Y333 WeakPolarHBondContact CG2-OH 3.22Å; I295-P334 HydrophobicContact CD1-CB 4.39Å; I295-P334 HydrophobicContact CD1-CG 4.18Å; I295-I335 HydrophobicContact CD1-CD1 4.07Å; I295-I335 HydrophobicContact CD1-CG1 4.29Å; I295-I335 HydrophobicContact CG1-CD1 3.93Å
296	P	97	Very high	96.6	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.013	33%	0.332	C	S	.	.			trans	-72.4	154.6	176.8	26.6	-30.4	0	0	0	112.1	L114 F118 R287 Y294 E298 L299 Y300	L114-P296 HydrophobicContact CD1-CB 4.19Å; L114-P296 HydrophobicContact CD1-CG 3.44Å; L114-P296 VanDerWaalsContact CD1-CG 3.44Å; F118-P296 HydrophobicContact CD2-CG 4.11Å; F118-P296 HydrophobicContact CE2-CG 4.09Å; F118-P296 HydrophobicContact CG-CG 4.46Å; F118-P296 HydrophobicContact CZ-CG 4.44Å; R287-P296 VanDerWaalsContact NH1-C 3.34Å; R287-P296 PolarHBondContact NH1-O 3.48Å; Y294-P296 HydrophobicContact CE1-CB 4.27Å; Y294-P296 HydrophobicContact CE1-CG 4.45Å; P296-E298 VanDerWaalsContact C-N 3.27Å; P296-E298 WeakPolarHBondContact CB-OE2 3.4Å; P296-E298 PolarHBondContact O-N 3.15Å; P296-L299 HydrophobicContact CG-CB 3.89Å; P296-L299 PolarHBondContact O-N 2.9Å; P296-Y300 PolarHBondContact O-N 3.16Å
297	K	96.6	Very high	96.6	Very high	127 Å²	127	68.3 Å²	68.3	55%	0.552	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.4	179	-73.1	-170.4	170.7	-173.2	0	112	L299 Y300 D301	K297-L299 PolarHBondContact O-N 2.93Å; K297-Y300 PolarHBondContact O-N 3Å; K297-D301 HydrophobicContact CB-CB 4.31Å
298	E	95.3	Very high	96.6	Very high	78 Å²	78	64.6 Å²	64.6	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30	176.1	-65.6	76.7	-171.8	0	0	112.3	W110 L114 P296	W110-E298 HydrophobicContact CE3-CB 4.09Å; L114-E298 HydrophobicContact CD1-CB 4.29Å; P296-E298 VanDerWaalsContact C-N 3.27Å; P296-E298 WeakPolarHBondContact CB-OE2 3.4Å; P296-E298 PolarHBondContact O-N 3.15Å
299	L	94.9	Very high	96.2	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-44	179.2	-174	63	0	0	0	112.2	L114 F118 V122 I295 P296 K297 P334	L114-L299 HydrophobicContact CD1-CB 4.38Å; F118-L299 HydrophobicContact CD1-CD2 3.69Å; F118-L299 HydrophobicContact CE1-CD2 3.98Å; V122-L299 HydrophobicContact CG2-CD1 3.82Å; I295-L299 HydrophobicContact CD1-CD2 4.45Å; P296-L299 HydrophobicContact CG-CB 3.89Å; P296-L299 PolarHBondContact O-N 2.9Å; K297-L299 PolarHBondContact O-N 2.93Å; L299-P334 HydrophobicContact CD2-CG 3.64Å
300	Y	96.1	Very high	95.5	Very high	52 Å²	52	54 Å²	54	20%	0.204	26%	0.263	C	S	.	.			trans	-157	121.5	179.8	-163.1	-95.2	0	0	0	111.2	P285 R287 P296 K297 Q302 P303 Y304 Y333 M342	P285-Y300 HydrophobicContact CG-CD1 3.7Å; P285-Y300 HydrophobicContact CG-CE1 4.34Å; R287-Y300 VanDerWaalsContact CZ-O 3.29Å; R287-Y300 PolarHBondContact NH1-O 2.89Å; R287-Y300 PolarHBondContact NH2-O 3.33Å; P296-Y300 PolarHBondContact O-N 3.16Å; K297-Y300 PolarHBondContact O-N 3Å; Y300-Q302 HydrophobicContact CD1-CB 4.48Å; Y300-Q302 WeakPolarHBondContact CD1-O 3.37Å; Y300-Q302 HydrophobicContact CE1-CB 3.86Å; Y300-Q302 WeakPolarHBondContact CE1-O 3.32Å; Y300-P303 PolarHBondContact OH-O 3.11Å; Y300-Y304 HydrophobicContact CD1-CD1 4.09Å; Y300-Y304 AromaticContact CD1-CE1 3.64Å; Y300-Y304 HydrophobicContact CD1-CE1 3.64Å; Y300-Y304 AromaticContact CE1-CD1 3.56Å; Y300-Y304 HydrophobicContact CE1-CD1 3.56Å; Y300-Y304 AromaticContact CE1-CE1 3.63Å; Y300-Y304 HydrophobicContact CE1-CE1 3.63Å; Y300-Y304 HydrophobicContact CG-CE1 4.43Å; Y300-Y333 HydrophobicContact CD2-CE2 4.06Å; Y300-Y333 HydrophobicContact CG-CE2 4.06Å; Y300-M342 HydrophobicContact CD2-CE 4.15Å; Y300-M342 HydrophobicContact CE2-CE 3.62Å
301	D	96	Very high	95	Very high	82 Å²	82	45.7 Å²	45.7	44%	0.439	23%	0.225	S	C	.	.			trans	-126.8	44	-179.9	-154.8	29.3	0	0	0	113.9	R287 K297	R287-D301 IonicContact CZ-OD1 2.72Å; R287-D301 IonicContact NH2-OD1 3.66Å; R287-D301 PolarHBondContact NH2-OD1 2.94Å; K297-D301 HydrophobicContact CB-CB 4.31Å
302	Q	96.3	Very high	94.9	Very high	110 Å²	110	44.4 Å²	44.4	51%	0.514	22%	0.216	S	C	.	.	S	Bend	trans	-131.9	163.4	174.4	-62.5	-61	-39.2	0	0	110.2	P285 Y300	P285-Q302 WeakPolarHBondContact CD-O 3.39Å; P285-Q302 WeakPolarHBondContact CG-O 3.37Å; Y300-Q302 HydrophobicContact CD1-CB 4.48Å; Y300-Q302 WeakPolarHBondContact CD1-O 3.37Å; Y300-Q302 HydrophobicContact CE1-CB 3.86Å; Y300-Q302 WeakPolarHBondContact CE1-O 3.32Å
303	P	97.6	Very high	95.1	Very high	76 Å²	76	38.2 Å²	38.2	49%	0.494	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-63.2	148.1	166.3	-21.1	33.9	0	0	0	111.7	I284 Y300	I284-P303 HydrophobicContact CG2-CB 4.21Å; I284-P303 HydrophobicContact CG2-CG 4.42Å; Y300-P303 PolarHBondContact OH-O 3.11Å
304	Y	98.1	Very high	95.2	Very high	18 Å²	18	34 Å²	34	7%	0.071	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-73.8	148	175.8	-66.4	-41.3	0	0	0	111.9	A283 P285 I295 Y300 Y307 Y333 V338	A283-Y304 HydrophobicContact CB-CD2 4.08Å; A283-Y304 PolarHBondContact O-N 3.36Å; P285-Y304 WeakPolarHBondContact CA-OH 3.44Å; P285-Y304 HydrophobicContact CB-CE1 4.43Å; P285-Y304 HydrophobicContact CB-CE2 4.3Å; P285-Y304 VanDerWaalsContact CB-OH 3.25Å; P285-Y304 WeakPolarHBondContact CB-OH 3.37Å; P285-Y304 HydrophobicContact CG-CD1 4.5Å; P285-Y304 HydrophobicContact CG-CE1 3.79Å; P285-Y304 HydrophobicContact CG-CE2 4.19Å; I295-Y304 WeakPolarHBondContact CG1-OH 3.35Å; Y300-Y304 HydrophobicContact CD1-CD1 4.09Å; Y300-Y304 AromaticContact CD1-CE1 3.64Å; Y300-Y304 HydrophobicContact CD1-CE1 3.64Å; Y300-Y304 AromaticContact CE1-CD1 3.56Å; Y300-Y304 HydrophobicContact CE1-CD1 3.56Å; Y300-Y304 AromaticContact CE1-CE1 3.63Å; Y300-Y304 HydrophobicContact CE1-CE1 3.63Å; Y300-Y304 HydrophobicContact CG-CE1 4.43Å; Y304-Y307 HydrophobicContact CD2-CE1 4.24Å; Y304-Y333 HydrophobicContact CE1-CE1 4.05Å; Y304-Y333 AromaticContact CE1-CZ 3.79Å; Y304-Y333 VanDerWaalsContact CE1-OH 3.3Å; Y304-Y333 WeakPolarHBondContact CE1-OH 3.48Å; Y304-Y333 PolarHBondContact OH-OH 3.49Å; Y304-V338 HydrophobicContact CD1-CG1 3.41Å; Y304-V338 VanDerWaalsContact CD1-CG1 3.41Å; Y304-V338 HydrophobicContact CD2-CG1 4.34Å; Y304-V338 HydrophobicContact CD2-CG2 4.1Å; Y304-V338 HydrophobicContact CE1-CG1 3.71Å; Y304-V338 HydrophobicContact CE2-CG2 4.15Å; Y304-V338 HydrophobicContact CG-CG1 3.79Å; Y304-V338 HydrophobicContact CG-CG2 4.32Å
305	P	97.7	Very high	95.3	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.058	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60.9	158.7	161.9	29.8	-34.6	0	0	0	110.3	Y307 G341 M342 K345	P305-Y307 WeakPolarHBondContact O-CD1 3.25Å; P305-Y307 PolarHBondContact O-N 2.96Å; P305-G341 VanDerWaalsContact CG-C 3.47Å; P305-M342 HydrophobicContact CG-CG 3.96Å; P305-K345 HydrophobicContact CB-CB 4.02Å; P305-K345 HydrophobicContact CB-CD 3.95Å
306	P	97.9	Very high	95.3	Very high	55 Å²	55	33.2 Å²	33.2	36%	0.357	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-53.6	135.4	168.1	-23.9	34.5	0	0	0	111.1	T279 I280 P351	T279-P306 HydrophobicContact CG2-CB 4.48Å; I280-P306 WeakPolarHBondContact O-CA 3.43Å; P306-P351 HydrophobicContact CB-CG 4Å
307	Y	97.8	Very high	95.3	Very high	32 Å²	32	33.5 Å²	33.5	13%	0.125	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.7	-179.7	70.1	-87.8	0	0	0	110.6	T279 I280 A283 Y304 P305 D337 V338	T279-Y307 CarbonylContact C-O 3.57Å; T279-Y307 WeakPolarHBondContact CA-O 3.11Å; I280-Y307 HydrophobicContact CB-CD1 4.49Å; I280-Y307 HydrophobicContact CB-CE1 4.08Å; I280-Y307 HydrophobicContact CB-CE2 4.29Å; I280-Y307 HydrophobicContact CD1-CE2 3.66Å; I280-Y307 HydrophobicContact CG1-CE2 4.45Å; I280-Y307 HydrophobicContact CG2-CE1 4.07Å; I280-Y307 PolarHBondContact N-O 3.27Å; I280-Y307 PolarHBondContact O-N 3.15Å; A283-Y307 HydrophobicContact CB-CE1 3.89Å; Y304-Y307 HydrophobicContact CD2-CE1 4.24Å; P305-Y307 WeakPolarHBondContact O-CD1 3.25Å; P305-Y307 PolarHBondContact O-N 2.96Å; Y307-D337 WeakPolarHBondContact CB-O 3.47Å; Y307-D337 HydrophobicContact CD2-CB 3.74Å; Y307-D337 HydrophobicContact CE2-CB 4.08Å; Y307-V338 HydrophobicContact CD1-CG2 4.13Å; Y307-V338 HydrophobicContact CD2-CG2 4.31Å; Y307-V338 HydrophobicContact CE1-CG2 3.96Å; Y307-V338 HydrophobicContact CE2-CG2 4.12Å; Y307-V338 HydrophobicContact CG-CG2 4.31Å
308	V	96.7	Very high	95.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.6	178.6	-177.2	0	0	0	0	109.8	F275 F313 D337 P351	F275-V308 HydrophobicContact CD1-CG2 3.7Å; F275-V308 HydrophobicContact CE1-CB 3.93Å; F275-V308 HydrophobicContact CE1-CG2 3.53Å; V308-F313 HydrophobicContact CB-CB 4.37Å; V308-F313 HydrophobicContact CG1-CB 3.67Å; V308-F313 HydrophobicContact CG1-CD1 4.49Å; V308-F313 HydrophobicContact CG1-CG 4.43Å; V308-D337 WeakPolarHBondContact O-CB 3.28Å; V308-P351 HydrophobicContact CG2-CB 3.52Å; V308-P351 HydrophobicContact CG2-CG 4.37Å
309	G	89.3	Confident	95.4	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.7	179.8	0	0	0	0	0	114.2	D278 G311 G312	D278-G309 PolarHBondContact O-N 2.9Å; G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.07Å; G309-G311 VanDerWaalsContact O-N 3.15Å; G309-G312 PolarHBondContact O-N 2.96Å
310	G	80.4	Confident	95.6	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-10.4	-168.3	0	0	0	0	0	117.1	G312 D337	G310-G312 PolarHBondContact O-N 3.14Å; G310-G312 VanDerWaalsContact O-N 3.16Å; G310-D337 VanDerWaalsContact CA-CG 3.43Å; G310-D337 WeakPolarHBondContact CA-OD1 3.34Å; G310-D337 WeakPolarHBondContact CA-OD2 3.42Å; G310-D337 PolarHBondContact N-OD1 3.21Å; G310-D337 PolarHBondContact N-OD2 3.23Å
311	G	84.9	Confident	95.7	Very high	4 Å²	4	28.4 Å²	28.4	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-20	175.6	0	0	0	0	0	113.3	V251 G309 V382	V251-G311 WeakPolarHBondContact CG1-O 3.12Å; G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.07Å; G309-G311 VanDerWaalsContact O-N 3.15Å; G311-V382 WeakPolarHBondContact O-CG1 3.36Å
312	G	94.7	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	154.1	160.2	0	0	0	0	0	114.2	K246 G309 G310 F357	K246-G312 CarbonylContact O-C 3.51Å; K246-G312 WeakPolarHBondContact O-CA 3.38Å; G309-G312 PolarHBondContact O-N 2.96Å; G310-G312 PolarHBondContact O-N 3.14Å; G310-G312 VanDerWaalsContact O-N 3.16Å; G312-F357 VanDerWaalsContact O-CD1 3.23Å; G312-F357 WeakPolarHBondContact O-CD1 3.48Å
313	F	98.1	Very high	95.9	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	161.9	-179	61.4	-95.5	0	0	0	111.2	F245 K246 F275 V276 V308 M315 L340	F245-F313 WeakPolarHBondContact CA-O 3.46Å; F245-F313 WeakPolarHBondContact CD2-O 3.5Å; K246-F313 HydrophobicContact CB-CD1 4.48Å; K246-F313 HydrophobicContact CB-CD2 4.36Å; K246-F313 HydrophobicContact CB-CE1 4.01Å; K246-F313 HydrophobicContact CB-CE2 3.86Å; K246-F313 HydrophobicContact CB-CZ 3.68Å; K246-F313 HydrophobicContact CD-CE1 4.34Å; K246-F313 HydrophobicContact CD-CZ 3.82Å; K246-F313 HydrophobicContact CG-CE1 4.26Å; K246-F313 HydrophobicContact CG-CZ 4.06Å; K246-F313 PolarHBondContact N-O 2.89Å; K246-F313 PolarHBondContact O-N 3.46Å; F275-F313 HydrophobicContact CE1-CD2 4.14Å; F275-F313 HydrophobicContact CE1-CE2 4.43Å; F275-F313 HydrophobicContact CE1-CG 4.37Å; F275-F313 AromaticContact CE2-CD2 3.96Å; F275-F313 HydrophobicContact CE2-CD2 3.96Å; F275-F313 AromaticContact CE2-CE2 3.68Å; F275-F313 HydrophobicContact CE2-CE2 3.68Å; F275-F313 HydrophobicContact CE2-CZ 4.41Å; F275-F313 AromaticContact CZ-CD2 3.69Å; F275-F313 HydrophobicContact CZ-CD2 3.69Å; F275-F313 AromaticContact CZ-CE2 3.55Å; F275-F313 HydrophobicContact CZ-CE2 3.55Å; F275-F313 HydrophobicContact CZ-CG 4.24Å; F275-F313 AromaticContact CZ-CZ 3.98Å; F275-F313 HydrophobicContact CZ-CZ 3.98Å; V276-F313 CarbonylContact O-C 3.51Å; V276-F313 VanDerWaalsContact O-CA 3.26Å; V276-F313 WeakPolarHBondContact O-CA 3.32Å; V276-F313 WeakPolarHBondContact O-CB 3.48Å; V308-F313 HydrophobicContact CB-CB 4.37Å; V308-F313 HydrophobicContact CG1-CB 3.67Å; V308-F313 HydrophobicContact CG1-CD1 4.49Å; V308-F313 HydrophobicContact CG1-CG 4.43Å; F313-M315 HydrophobicContact CE2-CE 4.41Å; F313-M315 HydrophobicContact CE2-CG 4.4Å; F313-M315 HydrophobicContact CE2-SD 3.95Å; F313-L340 HydrophobicContact CE1-CD1 3.98Å; F313-L340 HydrophobicContact CE2-CD1 4.46Å; F313-L340 HydrophobicContact CZ-CD1 3.54Å
314	V	98.5	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	173	62.1	0	0	0	0	110	I244 L258 F261 I262 L274 F275 V276 F357	I244-V314 CarbonylContact O-C 3.53Å; I244-V314 WeakPolarHBondContact O-CA 3.26Å; L258-V314 HydrophobicContact CD1-CB 4.12Å; L258-V314 HydrophobicContact CD1-CG1 4.42Å; L258-V314 HydrophobicContact CD1-CG2 4.32Å; F261-V314 HydrophobicContact CD1-CG1 4.2Å; F261-V314 HydrophobicContact CE1-CG1 3.74Å; I262-V314 HydrophobicContact CD1-CG2 3.91Å; I262-V314 HydrophobicContact CG1-CG2 4.05Å; L274-V314 HydrophobicContact CD2-CG1 4.34Å; L274-V314 HydrophobicContact CD2-CG2 4.24Å; F275-V314 CarbonylContact C-O 3.58Å; F275-V314 WeakPolarHBondContact CA-O 3.26Å; V276-V314 HydrophobicContact CB-CG1 3.98Å; V276-V314 PolarHBondContact N-O 3.21Å; V276-V314 PolarHBondContact O-N 3.43Å; V314-F357 HydrophobicContact CG1-CZ 4.13Å
315	M	98.4	Very high	95.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156	174.4	66	-177.3	173	0	0	112.7	F230 L231 F243 I244 L274 F275 F313 A320 L323	F230-M315 HydrophobicContact CE1-CE 4.24Å; L231-M315 HydrophobicContact CD2-CE 4.22Å; F243-M315 WeakPolarHBondContact CA-O 3.33Å; I244-M315 HydrophobicContact CB-CE 4.02Å; I244-M315 HydrophobicContact CB-CG 3.96Å; I244-M315 HydrophobicContact CD1-CE 3.54Å; I244-M315 HydrophobicContact CD1-CG 4.32Å; I244-M315 HydrophobicContact CG1-CE 4.42Å; I244-M315 HydrophobicContact CG2-CE 3.88Å; I244-M315 PolarHBondContact N-O 3.4Å; I244-M315 PolarHBondContact O-N 3.33Å; L274-M315 CarbonylContact O-C 3.58Å; L274-M315 WeakPolarHBondContact O-CA 3.49Å; L274-M315 WeakPolarHBondContact O-CB 3.37Å; F275-M315 HydrophobicContact CD2-CB 3.72Å; F275-M315 HydrophobicContact CD2-SD 4.27Å; F275-M315 HydrophobicContact CE2-CB 4.2Å; F275-M315 HydrophobicContact CE2-SD 3.92Å; F313-M315 HydrophobicContact CE2-CE 4.41Å; F313-M315 HydrophobicContact CE2-CG 4.4Å; F313-M315 HydrophobicContact CE2-SD 3.95Å; M315-A320 HydrophobicContact CE-CB 3.9Å; M315-A320 HydrophobicContact SD-CB 4.03Å; M315-L323 HydrophobicContact SD-CD1 3.95Å
316	S	98.4	Very high	95.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	152.3	170.7	84.5	0	0	0	0	111.1	D271 S272 L274 Q318 L319 A320	D271-S316 WeakPolarHBondContact O-CB 3.23Å; S272-S316 PolarHBondContact O-OG 2.72Å; L274-S316 PolarHBondContact O-N 3.39Å; S316-Q318 PolarHBondContact O-N 2.79Å; S316-Q318 PolarHBondContact OG-N 3.01Å; S316-L319 PolarHBondContact O-N 2.8Å; S316-L319 WeakPolarHBondContact OG-CB 3.33Å; S316-L319 PolarHBondContact OG-N 3.33Å; S316-A320 WeakPolarHBondContact O-CB 3.44Å; S316-A320 PolarHBondContact O-N 3.24Å
317	S	97.1	Very high	95.9	Very high	9 Å²	9	21 Å²	21	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-64.1	-30.5	172.9	-62.2	0	0	0	0	113.2	F234 V241 Q242 A320 R321	F234-S317 WeakPolarHBondContact CZ-OG 3.46Å; V241-S317 WeakPolarHBondContact O-CB 3.06Å; V241-S317 PolarHBondContact O-OG 3.17Å; Q242-S317 PolarHBondContact O-N 3.46Å; Q242-S317 PolarHBondContact O-OG 3.39Å; S317-A320 PolarHBondContact O-N 3.41Å; S317-R321 WeakPolarHBondContact O-CG 3.45Å; S317-R321 PolarHBondContact O-N 2.05Å; S317-R321 VanDerWaalsContact O-N 3.15Å
318	Q	97.2	Very high	95.8	Very high	112 Å²	112	23.6 Å²	23.6	52%	0.523	12%	0.117	S	C	.	.	H	α-helix	trans	-65.8	-47.3	178.6	-66.4	170.7	48.5	0	0	110.3	S316 R321 R322	S316-Q318 PolarHBondContact O-N 2.79Å; S316-Q318 PolarHBondContact OG-N 3.01Å; Q318-R321 PolarHBondContact O-N 3.24Å; Q318-R322 PolarHBondContact O-N 2.66Å
319	L	98.2	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-37.9	175.8	-177.2	60.7	0	0	0	111.7	L274 F275 S316 R321 R322 L323 L344 L347 V349	L274-L319 WeakPolarHBondContact O-CD2 3.33Å; F275-L319 HydrophobicContact CB-CD2 3.56Å; F275-L319 HydrophobicContact CD2-CD2 3.81Å; F275-L319 HydrophobicContact CG-CD2 4.13Å; S316-L319 PolarHBondContact O-N 2.8Å; S316-L319 WeakPolarHBondContact OG-CB 3.33Å; S316-L319 PolarHBondContact OG-N 3.33Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 2.99Å; L319-R322 HydrophobicContact CD1-CB 4.46Å; L319-R322 CarbonylContact O-C 3.46Å; L319-R322 PolarHBondContact O-N 3.29Å; L319-R322 VanDerWaalsContact O-N 3.13Å; L319-L323 HydrophobicContact CD1-CG 4.4Å; L319-L323 HydrophobicContact CG-CD1 4.15Å; L319-L323 HydrophobicContact CG-CG 4.26Å; L319-L323 WeakPolarHBondContact O-CB 2.93Å; L319-L323 WeakPolarHBondContact O-CG 2.97Å; L319-L323 PolarHBondContact O-N 3.34Å; L319-L344 HydrophobicContact CD1-CD2 4.42Å; L319-L344 HydrophobicContact CD2-CD2 4.14Å; L319-L347 HydrophobicContact CD1-CD1 4Å; L319-V349 HydrophobicContact CD1-CG1 4.37Å; L319-V349 HydrophobicContact CD1-CG2 4.16Å; L319-V349 HydrophobicContact CD2-CG1 4.27Å
320	A	98.3	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-38.9	175.6	0	0	0	0	0	112.8	L231 F234 I244 M315 S316 S317 L323 F324	L231-A320 HydrophobicContact CD2-CB 4.33Å; F234-A320 HydrophobicContact CD1-CB 4.3Å; F234-A320 HydrophobicContact CE1-CB 4.2Å; I244-A320 HydrophobicContact CD1-CB 3.48Å; I244-A320 VanDerWaalsContact CD1-CB 3.48Å; M315-A320 HydrophobicContact CE-CB 3.9Å; M315-A320 HydrophobicContact SD-CB 4.03Å; S316-A320 WeakPolarHBondContact O-CB 3.44Å; S316-A320 PolarHBondContact O-N 3.24Å; S317-A320 PolarHBondContact O-N 3.41Å; A320-L323 WeakPolarHBondContact O-CB 3.26Å; A320-L323 PolarHBondContact O-N 3.22Å; A320-F324 PolarHBondContact O-N 2.8Å
321	R	97.5	Very high	96.8	Very high	65 Å²	65	34.3 Å²	34.3	25%	0.245	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-41.5	174.4	-67.5	176.1	-173.2	-72.9	-15.1	112.3	N235 C238 S317 Q318 L319 L323 F324 T325	N235-R321 PolarHBondContact O-NH1 2.94Å; N235-R321 PolarHBondContact OD1-NH1 3.44Å; C238-R321 PolarHBondContact O-NH2 3.1Å; S317-R321 WeakPolarHBondContact O-CG 3.45Å; S317-R321 PolarHBondContact O-N 2.05Å; S317-R321 VanDerWaalsContact O-N 3.15Å; Q318-R321 PolarHBondContact O-N 3.24Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 2.99Å; R321-L323 VanDerWaalsContact C-N 3.3Å; R321-L323 PolarHBondContact O-N 2.82Å; R321-F324 WeakPolarHBondContact O-CB 2.72Å; R321-F324 PolarHBondContact O-N 3.45Å; R321-T325 PolarHBondContact O-N 3.06Å; R321-T325 VanDerWaalsContact O-N 3.11Å; R321-T325 PolarHBondContact O-OG1 2.93Å
322	R	98.1	Very high	97.4	Very high	83 Å²	83	34.3 Å²	34.3	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-63.6	-38.1	173.7	-67.7	171.8	60.5	-163	-1.6	111.4	D273 Q318 L319 T325 A326 L347	D273-R322 IonicContact OD1-CZ 3Å; D273-R322 IonicContact OD1-NH1 3.27Å; D273-R322 PolarHBondContact OD1-NH1 3.29Å; D273-R322 IonicContact OD2-NH1 3.42Å; D273-R322 PolarHBondContact OD2-NH1 3.49Å; Q318-R322 PolarHBondContact O-N 2.66Å; L319-R322 HydrophobicContact CD1-CB 4.46Å; L319-R322 CarbonylContact O-C 3.46Å; L319-R322 PolarHBondContact O-N 3.29Å; L319-R322 VanDerWaalsContact O-N 3.13Å; R322-T325 PolarHBondContact O-N 2.94Å; R322-A326 WeakPolarHBondContact O-CB 3.5Å; R322-A326 PolarHBondContact O-N 2.84Å; R322-L347 HydrophobicContact CB-CD1 3.81Å; R322-L347 HydrophobicContact CB-CD2 4.07Å; R322-L347 PolarHBondContact NH2-O 2.93Å
323	L	98.4	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-41.4	174.8	-77.3	170.8	0	0	0	111.3	L231 F275 M315 L319 A320 R321 A326 S327 C343 L344 L347	L231-L323 HydrophobicContact CD1-CB 4.14Å; L231-L323 HydrophobicContact CD2-CB 4.36Å; F275-L323 HydrophobicContact CD2-CD1 4.04Å; F275-L323 HydrophobicContact CE2-CD1 3.73Å; M315-L323 HydrophobicContact SD-CD1 3.95Å; L319-L323 HydrophobicContact CD1-CG 4.4Å; L319-L323 HydrophobicContact CG-CD1 4.15Å; L319-L323 HydrophobicContact CG-CG 4.26Å; L319-L323 WeakPolarHBondContact O-CB 2.93Å; L319-L323 WeakPolarHBondContact O-CG 2.97Å; L319-L323 PolarHBondContact O-N 3.34Å; A320-L323 WeakPolarHBondContact O-CB 3.26Å; A320-L323 PolarHBondContact O-N 3.22Å; R321-L323 VanDerWaalsContact C-N 3.3Å; R321-L323 PolarHBondContact O-N 2.82Å; L323-A326 PolarHBondContact O-N 2.83Å; L323-S327 VanDerWaalsContact O-CB 3.23Å; L323-S327 WeakPolarHBondContact O-CB 3.35Å; L323-S327 PolarHBondContact O-N 3.21Å; L323-C343 HydrophobicContact CD2-CB 3.65Å; L323-L344 HydrophobicContact CD2-CD2 3.98Å; L323-L344 HydrophobicContact CD2-CG 4.09Å; L323-L347 HydrophobicContact CD2-CD1 3.91Å; L323-L347 HydrophobicContact CG-CD1 4.16Å
324	F	98.1	Very high	97.6	Very high	15 Å²	15	34.7 Å²	34.7	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-54.6	-53.3	171	169.8	-118.3	0	0	0	110.9	P89 Y129 L231 K232 N235 A320 R321 A326 S327 E328	P89-F324 HydrophobicContact CG-CE1 4.42Å; P89-F324 HydrophobicContact CG-CZ 4.24Å; Y129-F324 WeakPolarHBondContact OH-CE2 3.47Å; L231-F324 HydrophobicContact CB-CB 4.02Å; L231-F324 HydrophobicContact CB-CD2 4.31Å; K232-F324 HydrophobicContact CB-CD2 3.97Å; K232-F324 HydrophobicContact CB-CE2 3.49Å; K232-F324 VanDerWaalsContact CB-CE2 3.49Å; K232-F324 HydrophobicContact CB-CZ 4.22Å; K232-F324 HydrophobicContact CD-CE2 4.34Å; K232-F324 HydrophobicContact CG-CE2 3.8Å; K232-F324 HydrophobicContact CG-CZ 4.05Å; N235-F324 HydrophobicContact CB-CD1 3.96Å; N235-F324 HydrophobicContact CB-CE1 4.4Å; N235-F324 HydrophobicContact CB-CG 4.33Å; A320-F324 PolarHBondContact O-N 2.8Å; R321-F324 WeakPolarHBondContact O-CB 2.72Å; R321-F324 PolarHBondContact O-N 3.45Å; F324-A326 PolarHBondContact O-N 3.12Å; F324-S327 WeakPolarHBondContact O-CB 3.37Å; F324-S327 PolarHBondContact O-N 3.06Å; F324-S327 PolarHBondContact O-OG 3.12Å; F324-E328 PolarHBondContact O-N 3.2Å
325	T	97.2	Very high	97.5	Very high	93 Å²	93	35.1 Å²	35.1	57%	0.571	17%	0.171	S	C	*	.	H	α-helix	trans	-60.2	-46	178.8	-53.8	0	0	0	0	112.5	R321 R322 S327 E328	R321-T325 PolarHBondContact O-N 3.06Å; R321-T325 VanDerWaalsContact O-N 3.11Å; R321-T325 PolarHBondContact O-OG1 2.93Å; R322-T325 PolarHBondContact O-N 2.94Å; T325-S327 VanDerWaalsContact C-N 3.29Å; T325-S327 PolarHBondContact O-N 3.29Å; T325-E328 PolarHBondContact O-N 2.92Å
326	A	98.1	Very high	97.5	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-34.4	178	0	0	0	0	0	112.4	R322 L323 F324 E328 D329 V330 C343 R346 L347	R322-A326 WeakPolarHBondContact O-CB 3.5Å; R322-A326 PolarHBondContact O-N 2.84Å; L323-A326 PolarHBondContact O-N 2.83Å; F324-A326 PolarHBondContact O-N 3.12Å; A326-E328 PolarHBondContact O-N 2.6Å; A326-D329 PolarHBondContact O-N 3.18Å; A326-D329 VanDerWaalsContact O-N 3.15Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 2.88Å; A326-C343 HydrophobicContact CB-CB 4.36Å; A326-R346 HydrophobicContact CB-CG 4.32Å; A326-L347 HydrophobicContact CB-CD1 4.11Å; A326-L347 HydrophobicContact CB-CD2 3.8Å; A326-L347 HydrophobicContact CB-CG 3.72Å
327	S	97.8	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-35.7	-179.9	80	0	0	0	0	111.1	R128 L323 F324 T325 D329 V330	R128-S327 VanDerWaalsContact CZ-O 3.22Å; R128-S327 PolarHBondContact NH1-O 2.76Å; R128-S327 PolarHBondContact NH2-O 3.43Å; L323-S327 VanDerWaalsContact O-CB 3.23Å; L323-S327 WeakPolarHBondContact O-CB 3.35Å; L323-S327 PolarHBondContact O-N 3.21Å; F324-S327 WeakPolarHBondContact O-CB 3.37Å; F324-S327 PolarHBondContact O-N 3.06Å; F324-S327 PolarHBondContact O-OG 3.12Å; T325-S327 VanDerWaalsContact C-N 3.29Å; T325-S327 PolarHBondContact O-N 3.29Å; S327-D329 PolarHBondContact O-N 3.43Å; S327-V330 PolarHBondContact O-N 2.99Å; S327-V330 VanDerWaalsContact O-O 3.05Å
328	E	96	Very high	97.5	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.402	17%	0.171	S	C	.	.	H	α-helix	trans	-58.8	-31.1	179.6	-66.7	-64.8	78	0	0	113.5	R128 Y129 F324 T325 A326	R128-E328 IonicContact CZ-OE1 3.46Å; R128-E328 IonicContact NE-OE1 3.65Å; R128-E328 PolarHBondContact NE-OE1 3.02Å; R128-E328 IonicContact NH2-OE1 2.71Å; Y129-E328 PolarHBondContact OH-OE1 3.33Å; Y129-E328 PolarHBondContact OH-OE2 3.3Å; F324-E328 PolarHBondContact O-N 3.2Å; T325-E328 PolarHBondContact O-N 2.92Å; A326-E328 PolarHBondContact O-N 2.6Å
329	D	95.3	Very high	97.5	Very high	110 Å²	110	30.1 Å²	30.1	59%	0.588	15%	0.147	S	C	*	.	H	α-helix	trans	-91.8	-10.6	179.2	-70.4	-17.8	0	0	0	113.2	A326 S327 R346	A326-D329 PolarHBondContact O-N 3.18Å; A326-D329 VanDerWaalsContact O-N 3.15Å; S327-D329 PolarHBondContact O-N 3.43Å; D329-R346 IonicContact OD2-CZ 2.83Å; D329-R346 IonicContact OD2-NE 3.88Å; D329-R346 IonicContact OD2-NH2 2.61Å; D329-R346 PolarHBondContact OD2-NH2 3.41Å
330	V	97.3	Very high	97.6	Very high	19 Å²	19	30.3 Å²	30.3	12%	0.115	15%	0.148	C	C	.	.	S	Bend	trans	-101.7	124.5	-176.3	178.8	0	0	0	0	109.3	R128 A326 S327 L332 F339 M342 R346	R128-V330 PolarHBondContact NH1-O 3.11Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 2.88Å; S327-V330 PolarHBondContact O-N 2.99Å; S327-V330 VanDerWaalsContact O-O 3.05Å; V330-L332 PolarHBondContact O-N 3.12Å; V330-F339 HydrophobicContact CB-CE2 4.04Å; V330-F339 HydrophobicContact CB-CZ 4.47Å; V330-F339 HydrophobicContact CG1-CD2 3.99Å; V330-F339 HydrophobicContact CG1-CE2 3.64Å; V330-F339 HydrophobicContact CG1-CZ 4.45Å; V330-M342 HydrophobicContact CG1-CB 3.91Å; V330-R346 HydrophobicContact CG2-CB 4.3Å; V330-R346 HydrophobicContact CG2-CG 4.44Å
331	E	95.8	Very high	97.6	Very high	112 Å²	112	30.4 Å²	30.4	52%	0.523	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-59.5	133.6	174.7	-176	169.4	-116.2	0	0	110.7	R125 Y333 F339	R125-E331 IonicContact CZ-OE1 3.61Å; R125-E331 IonicContact CZ-OE2 3.71Å; R125-E331 VanDerWaalsContact CZ-OE2 3.3Å; R125-E331 IonicContact NE-OE1 2.85Å; R125-E331 PolarHBondContact NE-OE1 3.39Å; R125-E331 IonicContact NH1-OE1 3.78Å; R125-E331 PolarHBondContact NH1-OE1 2.98Å; R125-E331 IonicContact NH1-OE2 2.71Å; R125-E331 PolarHBondContact NH1-OE2 3.38Å; R125-E331 IonicContact NH2-OE1 2.7Å; R125-E331 PolarHBondContact NH2-OE1 3.16Å; R125-E331 IonicContact NH2-OE2 2.65Å; E331-Y333 PolarHBondContact O-N 3.45Å; E331-F339 WeakPolarHBondContact O-CE2 3.42Å
332	L	97.8	Very high	97.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-58.8	138.7	179.7	-59.6	-173.9	0	0	0	110.4	F121 R125 R128 T224 L225 V228 V330 F339	F121-L332 HydrophobicContact CZ-CB 4.21Å; F121-L332 WeakPolarHBondContact CZ-O 3.5Å; R125-L332 HydrophobicContact CB-CB 4.34Å; R125-L332 WeakPolarHBondContact O-CD1 3.35Å; R125-L332 WeakPolarHBondContact O-CG 3.39Å; R128-L332 HydrophobicContact CG-CD1 4.19Å; R128-L332 HydrophobicContact CG-CG 4.39Å; T224-L332 HydrophobicContact CG2-CB 4.4Å; T224-L332 HydrophobicContact CG2-CD2 3.98Å; L225-L332 HydrophobicContact CD2-CD1 3.47Å; L225-L332 VanDerWaalsContact CD2-CD1 3.47Å; V228-L332 HydrophobicContact CG1-CD2 3.77Å; V228-L332 HydrophobicContact CG2-CD2 4.36Å; V330-L332 PolarHBondContact O-N 3.12Å; L332-F339 HydrophobicContact CD2-CE2 3.91Å; L332-F339 HydrophobicContact CD2-CZ 3.9Å
333	Y	98.1	Very high	97.6	Very high	12 Å²	12	24.8 Å²	24.8	5%	0.047	13%	0.129	C	C	.	.			trans	-120.3	144.8	-177.2	-166.8	-103	0	0	0	110.7	F121 T224 I295 Y300 Y304 E331 I335 V338 M342	F121-Y333 VanDerWaalsContact CZ-C 3.43Å; T224-Y333 WeakPolarHBondContact CB-O 3.46Å; T224-Y333 PolarHBondContact OG1-O 3.45Å; I295-Y333 HydrophobicContact CD1-CE1 4.46Å; I295-Y333 WeakPolarHBondContact CG1-OH 3.33Å; I295-Y333 VanDerWaalsContact CG2-OH 3.3Å; I295-Y333 WeakPolarHBondContact CG2-OH 3.22Å; Y300-Y333 HydrophobicContact CD2-CE2 4.06Å; Y300-Y333 HydrophobicContact CG-CE2 4.06Å; Y304-Y333 HydrophobicContact CE1-CE1 4.05Å; Y304-Y333 AromaticContact CE1-CZ 3.79Å; Y304-Y333 VanDerWaalsContact CE1-OH 3.3Å; Y304-Y333 WeakPolarHBondContact CE1-OH 3.48Å; Y304-Y333 PolarHBondContact OH-OH 3.49Å; E331-Y333 PolarHBondContact O-N 3.45Å; Y333-I335 HydrophobicContact CD1-CB 4.02Å; Y333-I335 HydrophobicContact CD1-CG1 4.5Å; Y333-I335 HydrophobicContact CE1-CB 3.95Å; Y333-I335 HydrophobicContact CE1-CD1 4.21Å; Y333-I335 HydrophobicContact CE1-CG1 4.05Å; Y333-I335 PolarHBondContact O-N 3.38Å; Y333-I335 VanDerWaalsContact O-N 3.08Å; Y333-V338 HydrophobicContact CD1-CB 3.93Å; Y333-V338 HydrophobicContact CD1-CG1 3.86Å; Y333-V338 HydrophobicContact CE1-CB 4.01Å; Y333-V338 HydrophobicContact CE1-CG1 3.77Å; Y333-M342 HydrophobicContact CD1-CE 4.08Å; Y333-M342 HydrophobicContact CD2-CE 3.58Å; Y333-M342 HydrophobicContact CD2-SD 4.49Å; Y333-M342 HydrophobicContact CE1-CE 4.34Å; Y333-M342 HydrophobicContact CE2-CE 3.86Å; Y333-M342 HydrophobicContact CG-CE 3.71Å; Y333-M342 HydrophobicContact CG-SD 4.45Å
334	P	97.4	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-69.4	-7.3	-173.3	-14.6	24.8	0	0	0	115.6	F118 F121 F221 I295 L299	F118-P334 HydrophobicContact CD1-CG 4.16Å; F118-P334 HydrophobicContact CE1-CB 4.36Å; F118-P334 HydrophobicContact CE1-CG 4.09Å; F121-P334 HydrophobicContact CD1-CG 3.85Å; F121-P334 HydrophobicContact CE1-CB 4.36Å; F121-P334 HydrophobicContact CE1-CG 3.55Å; F121-P334 HydrophobicContact CE2-CB 4.49Å; F121-P334 HydrophobicContact CE2-CG 4.49Å; F121-P334 HydrophobicContact CG-CG 4.46Å; F121-P334 HydrophobicContact CZ-CB 4.33Å; F121-P334 HydrophobicContact CZ-CG 3.91Å; F221-P334 HydrophobicContact CB-CB 4.12Å; F221-P334 HydrophobicContact CD1-CB 3.53Å; F221-P334 HydrophobicContact CE1-CB 4.06Å; F221-P334 HydrophobicContact CG-CB 3.85Å; I295-P334 HydrophobicContact CD1-CB 4.39Å; I295-P334 HydrophobicContact CD1-CG 4.18Å; L299-P334 HydrophobicContact CD2-CG 3.64Å
335	I	97.9	Very high	97.6	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.046	16%	0.157	C	C	.	.	S	Bend	trans	-119.6	109.7	177.4	-52.8	176.5	0	0	0	106.7	Y293 I295 Y333 D337 V338 F339	Y293-I335 HydrophobicContact CD1-CD1 4.42Å; I295-I335 HydrophobicContact CD1-CD1 4.07Å; I295-I335 HydrophobicContact CD1-CG1 4.29Å; I295-I335 HydrophobicContact CG1-CD1 3.93Å; Y333-I335 HydrophobicContact CD1-CB 4.02Å; Y333-I335 HydrophobicContact CD1-CG1 4.5Å; Y333-I335 HydrophobicContact CE1-CB 3.95Å; Y333-I335 HydrophobicContact CE1-CD1 4.21Å; Y333-I335 HydrophobicContact CE1-CG1 4.05Å; Y333-I335 PolarHBondContact O-N 3.38Å; Y333-I335 VanDerWaalsContact O-N 3.08Å; I335-D337 PolarHBondContact O-N 3.29Å; I335-V338 HydrophobicContact CB-CB 4.12Å; I335-V338 HydrophobicContact CB-CG2 4.02Å; I335-V338 HydrophobicContact CG2-CB 4.21Å; I335-V338 HydrophobicContact CG2-CG2 3.73Å; I335-V338 PolarHBondContact O-N 3.4Å; I335-F339 PolarHBondContact O-N 3.27Å
336	D	97.6	Very high	97.7	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-45.8	-174.8	57	-25.4	0	0	0	113.1	K152 L223 T224 E227 V338 F339 L340	K152-D336 IonicContact NZ-OD2 2.66Å; K152-D336 PolarHBondContact NZ-OD2 3.42Å; L223-D336 HydrophobicContact CB-CB 3.86Å; T224-D336 VanDerWaalsContact OG1-CA 3.32Å; T224-D336 WeakPolarHBondContact OG1-CA 3.37Å; T224-D336 PolarHBondContact OG1-N 3.39Å; E227-D336 HydrophobicContact CG-CB 3.73Å; D336-V338 VanDerWaalsContact C-N 3.31Å; D336-V338 PolarHBondContact O-N 2.93Å; D336-F339 WeakPolarHBondContact O-CB 3.4Å; D336-F339 PolarHBondContact O-N 2.79Å; D336-F339 VanDerWaalsContact O-N 3.16Å; D336-L340 PolarHBondContact O-N 3.24Å
337	D	97.3	Very high	97.7	Very high	16 Å²	16	35.1 Å²	35.1	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-42.6	178.8	-61.7	-26.9	0	0	0	111.7	K152 Y307 V308 G310 I335 L340 G341	K152-D337 IonicContact NZ-OD1 2.76Å; Y307-D337 WeakPolarHBondContact CB-O 3.47Å; Y307-D337 HydrophobicContact CD2-CB 3.74Å; Y307-D337 HydrophobicContact CE2-CB 4.08Å; V308-D337 WeakPolarHBondContact O-CB 3.28Å; G310-D337 VanDerWaalsContact CA-CG 3.43Å; G310-D337 WeakPolarHBondContact CA-OD1 3.34Å; G310-D337 WeakPolarHBondContact CA-OD2 3.42Å; G310-D337 PolarHBondContact N-OD1 3.21Å; G310-D337 PolarHBondContact N-OD2 3.23Å; I335-D337 PolarHBondContact O-N 3.29Å; D337-L340 PolarHBondContact O-N 3.49Å; D337-G341 PolarHBondContact O-N 2.83Å
338	V	98.1	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-39.2	177.7	177.6	0	0	0	0	110.2	Y304 Y307 Y333 I335 D336 L340 G341 M342	Y304-V338 HydrophobicContact CD1-CG1 3.41Å; Y304-V338 VanDerWaalsContact CD1-CG1 3.41Å; Y304-V338 HydrophobicContact CD2-CG1 4.34Å; Y304-V338 HydrophobicContact CD2-CG2 4.1Å; Y304-V338 HydrophobicContact CE1-CG1 3.71Å; Y304-V338 HydrophobicContact CE2-CG2 4.15Å; Y304-V338 HydrophobicContact CG-CG1 3.79Å; Y304-V338 HydrophobicContact CG-CG2 4.32Å; Y307-V338 HydrophobicContact CD1-CG2 4.13Å; Y307-V338 HydrophobicContact CD2-CG2 4.31Å; Y307-V338 HydrophobicContact CE1-CG2 3.96Å; Y307-V338 HydrophobicContact CE2-CG2 4.12Å; Y307-V338 HydrophobicContact CG-CG2 4.31Å; Y333-V338 HydrophobicContact CD1-CB 3.93Å; Y333-V338 HydrophobicContact CD1-CG1 3.86Å; Y333-V338 HydrophobicContact CE1-CB 4.01Å; Y333-V338 HydrophobicContact CE1-CG1 3.77Å; I335-V338 HydrophobicContact CB-CB 4.12Å; I335-V338 HydrophobicContact CB-CG2 4.02Å; I335-V338 HydrophobicContact CG2-CB 4.21Å; I335-V338 HydrophobicContact CG2-CG2 3.73Å; I335-V338 PolarHBondContact O-N 3.4Å; D336-V338 VanDerWaalsContact C-N 3.31Å; D336-V338 PolarHBondContact O-N 2.93Å; V338-L340 VanDerWaalsContact C-N 3.34Å; V338-L340 PolarHBondContact O-N 3.09Å; V338-G341 CarbonylContact O-C 3.59Å; V338-G341 WeakPolarHBondContact O-CA 3.39Å; V338-G341 PolarHBondContact O-N 3.45Å; V338-G341 VanDerWaalsContact O-N 3.1Å; V338-M342 HydrophobicContact CG1-CE 3.79Å; V338-M342 WeakPolarHBondContact O-CG 3.46Å; V338-M342 PolarHBondContact O-N 3.34Å
339	F	98.5	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-45.5	174.7	175.7	-99.9	0	0	0	111.7	T224 V228 V330 E331 L332 I335 D336 G341 M342 C343	T224-F339 HydrophobicContact CG2-CB 3.75Å; T224-F339 HydrophobicContact CG2-CD1 3.5Å; T224-F339 VanDerWaalsContact CG2-CD1 3.5Å; T224-F339 HydrophobicContact CG2-CD2 3.77Å; T224-F339 HydrophobicContact CG2-CE1 3.98Å; T224-F339 HydrophobicContact CG2-CE2 4.22Å; T224-F339 HydrophobicContact CG2-CG 3.37Å; T224-F339 HydrophobicContact CG2-CZ 4.31Å; V228-F339 HydrophobicContact CG1-CE1 3.56Å; V228-F339 HydrophobicContact CG1-CZ 3.73Å; V330-F339 HydrophobicContact CB-CE2 4.04Å; V330-F339 HydrophobicContact CB-CZ 4.47Å; V330-F339 HydrophobicContact CG1-CD2 3.99Å; V330-F339 HydrophobicContact CG1-CE2 3.64Å; V330-F339 HydrophobicContact CG1-CZ 4.45Å; E331-F339 WeakPolarHBondContact O-CE2 3.42Å; L332-F339 HydrophobicContact CD2-CE2 3.91Å; L332-F339 HydrophobicContact CD2-CZ 3.9Å; I335-F339 PolarHBondContact O-N 3.27Å; D336-F339 WeakPolarHBondContact O-CB 3.4Å; D336-F339 PolarHBondContact O-N 2.79Å; D336-F339 VanDerWaalsContact O-N 3.16Å; F339-G341 VanDerWaalsContact C-N 3.31Å; F339-G341 PolarHBondContact O-N 3.03Å; F339-M342 WeakPolarHBondContact O-CB 3.35Å; F339-M342 PolarHBondContact O-N 3.46Å; F339-M342 VanDerWaalsContact O-N 3.11Å; F339-C343 PolarHBondContact O-N 2.75Å; F339-C343 PolarHBondContact O-SG 3.19Å
340	L	98.3	Very high	97.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-39.8	173.9	-68.9	178.5	0	0	0	111.6	L231 F275 F313 D336 D337 V338 M342 C343 L344	L231-L340 HydrophobicContact CD1-CD2 4.35Å; F275-L340 HydrophobicContact CZ-CD1 4.29Å; F313-L340 HydrophobicContact CE1-CD1 3.98Å; F313-L340 HydrophobicContact CE2-CD1 4.46Å; F313-L340 HydrophobicContact CZ-CD1 3.54Å; D336-L340 PolarHBondContact O-N 3.24Å; D337-L340 PolarHBondContact O-N 3.49Å; V338-L340 VanDerWaalsContact C-N 3.34Å; V338-L340 PolarHBondContact O-N 3.09Å; L340-M342 VanDerWaalsContact C-N 3.31Å; L340-M342 PolarHBondContact O-N 2.62Å; L340-C343 WeakPolarHBondContact O-CB 3.36Å; L340-C343 PolarHBondContact O-N 3.15Å; L340-C343 VanDerWaalsContact O-N 3.15Å; L340-L344 WeakPolarHBondContact O-CG 3.29Å; L340-L344 PolarHBondContact O-N 3.09Å
341	G	98.3	Very high	97.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-38.8	171.2	0	0	0	0	0	113.6	P305 D337 V338 F339 L344 K345	P305-G341 VanDerWaalsContact CG-C 3.47Å; D337-G341 PolarHBondContact O-N 2.83Å; V338-G341 CarbonylContact O-C 3.59Å; V338-G341 WeakPolarHBondContact O-CA 3.39Å; V338-G341 PolarHBondContact O-N 3.45Å; V338-G341 VanDerWaalsContact O-N 3.1Å; F339-G341 VanDerWaalsContact C-N 3.31Å; F339-G341 PolarHBondContact O-N 3.03Å; G341-L344 PolarHBondContact O-N 3.21Å; G341-K345 WeakPolarHBondContact O-CB 3.42Å; G341-K345 PolarHBondContact O-N 3.43Å
342	M	98.6	Very high	97.8	Very high	30 Å²	30	36.9 Å²	36.9	15%	0.148	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-40.5	173.7	-63.3	-173	-170.4	0	0	111.6	Y300 P305 V330 Y333 V338 F339 L340 K345 R346	Y300-M342 HydrophobicContact CD2-CE 4.15Å; Y300-M342 HydrophobicContact CE2-CE 3.62Å; P305-M342 HydrophobicContact CG-CG 3.96Å; V330-M342 HydrophobicContact CG1-CB 3.91Å; Y333-M342 HydrophobicContact CD1-CE 4.08Å; Y333-M342 HydrophobicContact CD2-CE 3.58Å; Y333-M342 HydrophobicContact CD2-SD 4.49Å; Y333-M342 HydrophobicContact CE1-CE 4.34Å; Y333-M342 HydrophobicContact CE2-CE 3.86Å; Y333-M342 HydrophobicContact CG-CE 3.71Å; Y333-M342 HydrophobicContact CG-SD 4.45Å; V338-M342 HydrophobicContact CG1-CE 3.79Å; V338-M342 WeakPolarHBondContact O-CG 3.46Å; V338-M342 PolarHBondContact O-N 3.34Å; F339-M342 WeakPolarHBondContact O-CB 3.35Å; F339-M342 PolarHBondContact O-N 3.46Å; F339-M342 VanDerWaalsContact O-N 3.11Å; L340-M342 VanDerWaalsContact C-N 3.31Å; L340-M342 PolarHBondContact O-N 2.62Å; M342-K345 PolarHBondContact O-N 3.36Å; M342-R346 PolarHBondContact O-N 2.68Å
343	C	98.7	Very high	97.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-65.4	-43.1	175.4	-62.5	0	0	0	0	111.9	L323 A326 F339 L340 K345 R346 L347	L323-C343 HydrophobicContact CD2-CB 3.65Å; A326-C343 HydrophobicContact CB-CB 4.36Å; F339-C343 PolarHBondContact O-N 2.75Å; F339-C343 PolarHBondContact O-SG 3.19Å; L340-C343 WeakPolarHBondContact O-CB 3.36Å; L340-C343 PolarHBondContact O-N 3.15Å; L340-C343 VanDerWaalsContact O-N 3.15Å; C343-K345 PolarHBondContact O-N 3.46Å; C343-R346 WeakPolarHBondContact O-CB 3.36Å; C343-R346 PolarHBondContact O-N 3.3Å; C343-R346 VanDerWaalsContact O-N 3.15Å; C343-L347 WeakPolarHBondContact O-CG 3.35Å; C343-L347 PolarHBondContact O-N 2.9Å
344	L	98.5	Very high	97.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174.8	-73.8	170.8	0	0	0	111.6	F275 L319 L323 L340 G341 R346 L347 N348 V349 P351	F275-L344 HydrophobicContact CB-CD2 4.48Å; F275-L344 HydrophobicContact CD1-CD1 3.74Å; F275-L344 HydrophobicContact CD2-CD1 4.4Å; F275-L344 HydrophobicContact CD2-CD2 4.17Å; F275-L344 HydrophobicContact CE1-CD1 3.75Å; F275-L344 HydrophobicContact CE2-CD1 4.41Å; F275-L344 HydrophobicContact CG-CD1 4.07Å; F275-L344 HydrophobicContact CG-CD2 4.2Å; F275-L344 HydrophobicContact CZ-CD1 4.1Å; L319-L344 HydrophobicContact CD1-CD2 4.42Å; L319-L344 HydrophobicContact CD2-CD2 4.14Å; L323-L344 HydrophobicContact CD2-CD2 3.98Å; L323-L344 HydrophobicContact CD2-CG 4.09Å; L340-L344 WeakPolarHBondContact O-CG 3.29Å; L340-L344 PolarHBondContact O-N 3.09Å; G341-L344 PolarHBondContact O-N 3.21Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 2.5Å; L344-L347 CarbonylContact O-C 3.46Å; L344-L347 PolarHBondContact O-N 2.91Å; L344-L347 VanDerWaalsContact O-N 3.09Å; L344-N348 PolarHBondContact O-N 3.26Å; L344-V349 CarbonylContact C-O 3.47Å; L344-V349 WeakPolarHBondContact CB-O 3.43Å; L344-V349 HydrophobicContact CD2-CB 4.06Å; L344-V349 HydrophobicContact CD2-CG1 3.95Å; L344-V349 PolarHBondContact O-N 3.07Å; L344-P351 HydrophobicContact CD1-CB 4.13Å; L344-P351 HydrophobicContact CD1-CG 4.27Å
345	K	98.1	Very high	97.6	Very high	149 Å²	149	47.5 Å²	47.5	65%	0.648	25%	0.246	S	C	*	.	H	α-helix	trans	-58.4	-42.1	173.6	178.3	173.9	175.1	-178.4	0	111.8	P305 G341 M342 C343 L347 N348	P305-K345 HydrophobicContact CB-CB 4.02Å; P305-K345 HydrophobicContact CB-CD 3.95Å; G341-K345 WeakPolarHBondContact O-CB 3.42Å; G341-K345 PolarHBondContact O-N 3.43Å; M342-K345 PolarHBondContact O-N 3.36Å; C343-K345 PolarHBondContact O-N 3.46Å; K345-L347 VanDerWaalsContact C-N 3.25Å; K345-L347 PolarHBondContact O-N 3.41Å; K345-N348 PolarHBondContact O-N 3.39Å; K345-N348 VanDerWaalsContact O-N 3.13Å
346	R	97.9	Very high	97.6	Very high	142 Å²	142	47.3 Å²	47.3	54%	0.536	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-31.6	176.7	179.4	64.2	175.6	85.3	8.7	112.6	A326 D329 V330 M342 C343 L344 N348	A326-R346 HydrophobicContact CB-CG 4.32Å; D329-R346 IonicContact OD2-CZ 2.83Å; D329-R346 IonicContact OD2-NE 3.88Å; D329-R346 IonicContact OD2-NH2 2.61Å; D329-R346 PolarHBondContact OD2-NH2 3.41Å; V330-R346 HydrophobicContact CG2-CB 4.3Å; V330-R346 HydrophobicContact CG2-CG 4.44Å; M342-R346 PolarHBondContact O-N 2.68Å; C343-R346 WeakPolarHBondContact O-CB 3.36Å; C343-R346 PolarHBondContact O-N 3.3Å; C343-R346 VanDerWaalsContact O-N 3.15Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 2.5Å; R346-N348 VanDerWaalsContact C-N 3.35Å
347	L	97.8	Very high	97.5	Very high	37 Å²	37	47.1 Å²	47.1	19%	0.194	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.4	175.8	-67.7	175.4	0	0	0	114	L319 R322 L323 A326 C343 L344 K345 V349	L319-L347 HydrophobicContact CD1-CD1 4Å; R322-L347 HydrophobicContact CB-CD1 3.81Å; R322-L347 HydrophobicContact CB-CD2 4.07Å; R322-L347 PolarHBondContact NH2-O 2.93Å; L323-L347 HydrophobicContact CD2-CD1 3.91Å; L323-L347 HydrophobicContact CG-CD1 4.16Å; A326-L347 HydrophobicContact CB-CD1 4.11Å; A326-L347 HydrophobicContact CB-CD2 3.8Å; A326-L347 HydrophobicContact CB-CG 3.72Å; C343-L347 WeakPolarHBondContact O-CG 3.35Å; C343-L347 PolarHBondContact O-N 2.9Å; L344-L347 CarbonylContact O-C 3.46Å; L344-L347 PolarHBondContact O-N 2.91Å; L344-L347 VanDerWaalsContact O-N 3.09Å; K345-L347 VanDerWaalsContact C-N 3.25Å; K345-L347 PolarHBondContact O-N 3.41Å; L347-V349 HydrophobicContact CB-CB 4.47Å; L347-V349 HydrophobicContact CB-CG2 4.02Å; L347-V349 PolarHBondContact O-N 2.88Å
348	N	97.5	Very high	97.4	Very high	154 Å²	154	50.4 Å²	50.4	82%	0.824	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.1	-170.5	-161.8	44.8	0	0	0	113.2	L344 K345 R346	L344-N348 PolarHBondContact O-N 3.26Å; K345-N348 PolarHBondContact O-N 3.39Å; K345-N348 VanDerWaalsContact O-N 3.13Å; R346-N348 VanDerWaalsContact C-N 3.35Å
349	V	97.3	Very high	97	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	26%	0.259	C	S	.	.			trans	-108	136.1	174.8	177.9	0	0	0	0	108.1	L319 L344 L347	L319-V349 HydrophobicContact CD1-CG1 4.37Å; L319-V349 HydrophobicContact CD1-CG2 4.16Å; L319-V349 HydrophobicContact CD2-CG1 4.27Å; L344-V349 CarbonylContact C-O 3.47Å; L344-V349 WeakPolarHBondContact CB-O 3.43Å; L344-V349 HydrophobicContact CD2-CB 4.06Å; L344-V349 HydrophobicContact CD2-CG1 3.95Å; L344-V349 PolarHBondContact O-N 3.07Å; L347-V349 HydrophobicContact CB-CB 4.47Å; L347-V349 HydrophobicContact CB-CG2 4.02Å; L347-V349 PolarHBondContact O-N 2.88Å
350	S	95.9	Very high	96.4	Very high	100 Å²	100	56.6 Å²	56.6	70%	0.699	28%	0.284	S	S	*	.			trans	-104.2	132.3	175.4	-65.6	0	0	0	0	110.2
351	P	97.3	Very high	95.7	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.091	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.1	144.5	173.7	28.8	-33.7	0	0	0	111.1	F275 T279 P306 V308 L344	F275-P351 HydrophobicContact CD1-CB 3.85Å; F275-P351 HydrophobicContact CE1-CB 4.5Å; F275-P351 WeakPolarHBondContact O-CA 3.28Å; T279-P351 HydrophobicContact CG2-CB 4.36Å; T279-P351 HydrophobicContact CG2-CG 3.85Å; P306-P351 HydrophobicContact CB-CG 4Å; V308-P351 HydrophobicContact CG2-CB 3.52Å; V308-P351 HydrophobicContact CG2-CG 4.37Å; L344-P351 HydrophobicContact CD1-CB 4.13Å; L344-P351 HydrophobicContact CD1-CG 4.27Å
352	E	97.3	Very high	95.1	Very high	81 Å²	81	58.2 Å²	58.2	38%	0.379	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.6	178.3	-164.8	-175.3	142.8	0	0	110.8	K265 F275 V276 G277 T279	K265-E352 IonicContact NZ-OE1 3.5Å; K265-E352 PolarHBondContact NZ-OE1 3.44Å; K265-E352 IonicContact NZ-OE2 3.58Å; K265-E352 PolarHBondContact NZ-OE2 2.91Å; F275-E352 PolarHBondContact O-N 3.25Å; V276-E352 WeakPolarHBondContact CA-O 3.29Å; V276-E352 HydrophobicContact CB-CB 4.39Å; V276-E352 HydrophobicContact CG1-CB 4.21Å; V276-E352 HydrophobicContact CG2-CB 3.81Å; G277-E352 PolarHBondContact N-O 3.24Å; T279-E352 VanDerWaalsContact OG1-C 3.24Å; T279-E352 PolarHBondContact OG1-O 2.8Å
353	L	97.2	Very high	94.5	Very high	109 Å²	109	58.2 Å²	58.2	57%	0.571	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.5	171.3	178.4	63.6	0	0	0	110.1	G277 T279	G277-L353 WeakPolarHBondContact O-CA 3.29Å; T279-L353 PolarHBondContact OG1-N 2.84Å
354	H	96.9	Very high	93.6	Very high	52 Å²	52	69.3 Å²	69.3	24%	0.241	34%	0.338	C	S	.	.			trans	-129.5	124.5	170.6	-173.5	-83.5	0	0	0	111.6	F261 V276 G277 G356 F357 I381	F261-H354 AromaticContact CD2-CD2 3.79Å; F261-H354 AromaticContact CD2-NE2 3.66Å; F261-H354 AromaticContact CE2-CD2 3.47Å; F261-H354 VanDerWaalsContact CE2-CD2 3.47Å; F261-H354 WeakPolarHBondContact CE2-CD2 3.47Å; F261-H354 AromaticContact CE2-NE2 3.86Å; V276-H354 HydrophobicContact CG1-CB 3.42Å; V276-H354 VanDerWaalsContact CG1-CB 3.42Å; G277-H354 PolarHBondContact O-N 3.43Å; H354-G356 WeakPolarHBondContact ND1-CA 3.35Å; H354-G356 PolarHBondContact ND1-N 2.84Å; H354-G356 PolarHBondContact O-N 3.33Å; H354-F357 HydrophobicContact CB-CD2 3.85Å; H354-F357 HydrophobicContact CB-CE2 4.19Å; H354-F357 AromaticContact ND1-CD2 3.75Å; H354-F357 PolarHBondContact O-N 2.79Å; H354-I381 VanDerWaalsContact CE1-CD1 3.5Å; H354-I381 WeakPolarHBondContact CE1-CD1 3.17Å
355	S	95.3	Very high	92.9	Very high	77 Å²	77	76 Å²	76	54%	0.538	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.5	-174.2	55.8	0	0	0	0	114.7	F357 R358	S355-F357 PolarHBondContact O-N 3.01Å; S355-R358 PolarHBondContact O-NE 3.03Å; S355-R358 VanDerWaalsContact O-NE 3.15Å; S355-R358 PolarHBondContact O-NH2 3.39Å
356	G	96.4	Very high	92	Very high	5 Å²	5	77.9 Å²	77.9	5%	0.052	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14	172.6	0	0	0	0	0	114.2	H354 I381 V382	H354-G356 WeakPolarHBondContact ND1-CA 3.35Å; H354-G356 PolarHBondContact ND1-N 2.84Å; H354-G356 PolarHBondContact O-N 3.33Å; G356-I381 PolarHBondContact O-N 3.05Å; G356-V382 PolarHBondContact O-N 2.94Å
357	F	97.4	Very high	91.3	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119	176.2	-68.4	-104.8	0	0	0	109.3	F245 L258 V276 D278 G312 V314 H354 S355 I381 V382	F245-F357 HydrophobicContact CE2-CE1 4.27Å; L258-F357 HydrophobicContact CD1-CZ 4.49Å; V276-F357 HydrophobicContact CG1-CE2 4.43Å; D278-F357 HydrophobicContact CB-CB 4.21Å; G312-F357 VanDerWaalsContact O-CD1 3.23Å; G312-F357 WeakPolarHBondContact O-CD1 3.48Å; V314-F357 HydrophobicContact CG1-CZ 4.13Å; H354-F357 HydrophobicContact CB-CD2 3.85Å; H354-F357 HydrophobicContact CB-CE2 4.19Å; H354-F357 AromaticContact ND1-CD2 3.75Å; H354-F357 PolarHBondContact O-N 2.79Å; S355-F357 PolarHBondContact O-N 3.01Å; F357-I381 HydrophobicContact CD2-CB 4.44Å; F357-I381 HydrophobicContact CD2-CD1 4.35Å; F357-I381 HydrophobicContact CE1-CG2 4.3Å; F357-I381 HydrophobicContact CE2-CB 4.22Å; F357-I381 HydrophobicContact CE2-CD1 3.75Å; F357-I381 HydrophobicContact CE2-CG2 4.15Å; F357-I381 HydrophobicContact CZ-CB 4.44Å; F357-I381 HydrophobicContact CZ-CD1 4.41Å; F357-I381 HydrophobicContact CZ-CG2 3.9Å; F357-V382 HydrophobicContact CD1-CB 3.77Å; F357-V382 HydrophobicContact CD1-CG2 3.44Å; F357-V382 VanDerWaalsContact CD1-CG2 3.44Å; F357-V382 HydrophobicContact CE1-CB 4.37Å; F357-V382 HydrophobicContact CE1-CG2 3.53Å; F357-V382 HydrophobicContact CG-CB 4.38Å; F357-V382 HydrophobicContact CG-CG2 4.36Å; F357-V382 HydrophobicContact CZ-CG2 4.5Å
358	R	94.9	Very high	90.8	Very high	86 Å²	86	77.3 Å²	77.3	33%	0.325	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	82.4	-178.2	-63.6	-58.8	-174.6	-155.8	2.3	110	S355 F360 L380 V382 H384	S355-R358 PolarHBondContact O-NE 3.03Å; S355-R358 VanDerWaalsContact O-NE 3.15Å; S355-R358 PolarHBondContact O-NH2 3.39Å; R358-F360 VanDerWaalsContact C-N 3.26Å; R358-F360 PolarHBondContact O-N 3.11Å; R358-L380 HydrophobicContact CG-CD1 3.85Å; R358-L380 HydrophobicContact CG-CD2 4.17Å; R358-V382 PolarHBondContact N-O 3.5Å; R358-H384 PolarHBondContact O-N 3Å
359	T	89.1	Confident	90.3	Very high	9 Å²	9	74.6 Å²	74.6	6%	0.055	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2	-176.4	62.8	0	0	0	0	113.4	D278	D278-T359 HydrophobicContact CB-CG2 3.75Å; D278-T359 WeakPolarHBondContact CB-OG1 3.11Å; D278-T359 PolarHBondContact OD2-N 3.42Å; D278-T359 PolarHBondContact OD2-OG1 3.2Å; D278-T359 VanDerWaalsContact OD2-OG1 3.05Å
360	F	85.3	Confident	89.7	Confident	120 Å²	120	77.5 Å²	77.5	53%	0.526	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	21.4	176.6	-62.6	-84.2	0	0	0	113	I280 R358	I280-F360 HydrophobicContact CD1-CE2 3.78Å; I280-F360 HydrophobicContact CD1-CZ 3.73Å; I280-F360 HydrophobicContact CG1-CE2 4.36Å; R358-F360 VanDerWaalsContact C-N 3.26Å; R358-F360 PolarHBondContact O-N 3.11Å
361	G	84.4	Confident	89.3	Confident	12 Å²	12	73.7 Å²	73.7	12%	0.124	37%	0.371	C	S	.	.			trans	84.6	165.5	-168.5	0	0	0	0	0	112.8	T363 H384	G361-T363 PolarHBondContact O-N 3.42Å; G361-H384 WeakPolarHBondContact CA-O 3.36Å; G361-H384 PolarHBondContact N-O 3.32Å; G361-H384 VanDerWaalsContact N-O 3.08Å
362	I	85.6	Confident	88.9	Confident	28 Å²	28	81.2 Å²	81.2	14%	0.144	40%	0.398	C	S	.	.	S	Bend	trans	-61.1	-38.7	173.2	-65.4	161.5	0	0	0	109.3	M370 N371 F376 Y377 L380 V383	I362-M370 WeakPolarHBondContact CD1-O 3.5Å; I362-M370 HydrophobicContact CG2-CE 4.49Å; I362-N371 WeakPolarHBondContact CB-OD1 3.36Å; I362-N371 PolarHBondContact N-OD1 3.16Å; I362-F376 HydrophobicContact CD1-CB 3.44Å; I362-F376 VanDerWaalsContact CD1-CB 3.44Å; I362-F376 HydrophobicContact CD1-CD2 4.32Å; I362-F376 HydrophobicContact CD1-CG 4.11Å; I362-F376 HydrophobicContact CG1-CB 4.24Å; I362-F376 HydrophobicContact CG2-CD1 4.38Å; I362-F376 HydrophobicContact CG2-CD2 4.38Å; I362-F376 HydrophobicContact CG2-CG 4.18Å; I362-Y377 HydrophobicContact CD1-CD2 4.07Å; I362-Y377 HydrophobicContact CD1-CE2 3.71Å; I362-L380 HydrophobicContact CD1-CD1 4.35Å; I362-L380 HydrophobicContact CG1-CD1 3.83Å; I362-V383 HydrophobicContact CD1-CG1 4.34Å; I362-V383 HydrophobicContact CG1-CG1 4.02Å; I362-V383 HydrophobicContact CG1-CG2 4.5Å
363	T	85.6	Confident	88.7	Confident	30 Å²	30	81.5 Å²	81.5	18%	0.184	40%	0.399	C	S	.	.	S	Bend	trans	-121.3	148.2	168.6	72.7	0	0	0	0	109.7	G361 Q365 S368 M370 N371	G361-T363 PolarHBondContact O-N 3.42Å; T363-Q365 PolarHBondContact O-N 3.21Å; T363-Q365 PolarHBondContact OG1-O 2.73Å; T363-S368 WeakPolarHBondContact OG1-CB 3.33Å; T363-S368 PolarHBondContact OG1-OG 2.97Å; T363-M370 HydrophobicContact CG2-CB 3.93Å; T363-M370 HydrophobicContact CG2-CE 4.34Å; T363-M370 HydrophobicContact CG2-CG 4.42Å; T363-M370 HydrophobicContact CG2-SD 3.75Å; T363-N371 PolarHBondContact N-OD1 3.38Å; T363-N371 PolarHBondContact O-ND2 3.24Å; T363-N371 PolarHBondContact O-OD1 3.35Å; T363-N371 PolarHBondContact OG1-ND2 3.47Å; T363-N371 PolarHBondContact OG1-OD1 2.89Å
364	R	80.3	Confident	88.6	Confident	234 Å²	234	77.4 Å²	77.4	88%	0.883	38%	0.379	S	S	*	.	S	Bend	trans	-63.5	-22.7	176.7	-66.9	-176	176.1	176.9	-0.6	113	K366	R364-K366 PolarHBondContact O-N 2.82Å
365	Q	83.9	Confident	88.5	Confident	143 Å²	143	76.2 Å²	76.2	67%	0.668	38%	0.376	S	S	*	.	S	Bend	trans	-80.1	104.8	176.7	-69.5	176	-7.6	0	0	109.6	T363 V367 S368 N371	T363-Q365 PolarHBondContact O-N 3.21Å; T363-Q365 PolarHBondContact OG1-O 2.73Å; Q365-V367 PolarHBondContact O-N 3.27Å; Q365-V367 VanDerWaalsContact O-N 3.07Å; Q365-S368 VanDerWaalsContact O-CB 3.29Å; Q365-S368 WeakPolarHBondContact O-CB 3.46Å; Q365-S368 PolarHBondContact O-N 3.01Å; Q365-N371 PolarHBondContact O-ND2 3.34Å
366	K	77.9	Confident	88.5	Confident	188 Å²	188	75.3 Å²	75.3	82%	0.817	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.5	-176.3	-68	-178.8	179.4	173.3	0	114	R364 S368 N371	R364-K366 PolarHBondContact O-N 2.82Å; K366-S368 VanDerWaalsContact C-N 3.3Å; K366-S368 PolarHBondContact O-N 2.95Å; K366-N371 PolarHBondContact O-ND2 3.09Å
367	V	84.1	Confident	88.4	Confident	142 Å²	142	75.2 Å²	75.2	86%	0.861	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.3	-176.9	-62.6	0	0	0	0	114.4	Q365 S369	Q365-V367 PolarHBondContact O-N 3.27Å; Q365-V367 VanDerWaalsContact O-N 3.07Å; V367-S369 PolarHBondContact O-N 2.78Å
368	S	86.9	Confident	88.4	Confident	24 Å²	24	79.4 Å²	79.4	17%	0.168	38%	0.379	C	S	.	.			trans	-62.6	132.5	-179.7	179.5	0	0	0	0	111.4	T363 Q365 K366 M370 N371	T363-S368 WeakPolarHBondContact OG1-CB 3.33Å; T363-S368 PolarHBondContact OG1-OG 2.97Å; Q365-S368 VanDerWaalsContact O-CB 3.29Å; Q365-S368 WeakPolarHBondContact O-CB 3.46Å; Q365-S368 PolarHBondContact O-N 3.01Å; K366-S368 VanDerWaalsContact C-N 3.3Å; K366-S368 PolarHBondContact O-N 2.95Å; S368-M370 PolarHBondContact O-N 3.38Å; S368-M370 WeakPolarHBondContact OG-CB 3.43Å; S368-M370 PolarHBondContact OG-N 3.04Å; S368-N371 WeakPolarHBondContact O-CB 3.36Å; S368-N371 PolarHBondContact O-N 3.35Å; S368-N371 VanDerWaalsContact O-N 3.08Å
369	S	86.5	Confident	88.3	Confident	97 Å²	97	78.7 Å²	78.7	68%	0.678	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.4	-27.7	173.6	54.1	0	0	0	0	112.4	V367 N371 R372	V367-S369 PolarHBondContact O-N 2.78Å; S369-N371 PolarHBondContact O-N 3.11Å; S369-R372 PolarHBondContact O-N 2.82Å
370	M	85.9	Confident	88.7	Confident	77 Å²	77	79 Å²	79	38%	0.379	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.3	175.8	-65.2	-178.6	71.5	0	0	112.7	I362 T363 S368 R372 E373 F376	I362-M370 WeakPolarHBondContact CD1-O 3.5Å; I362-M370 HydrophobicContact CG2-CE 4.49Å; T363-M370 HydrophobicContact CG2-CB 3.93Å; T363-M370 HydrophobicContact CG2-CE 4.34Å; T363-M370 HydrophobicContact CG2-CG 4.42Å; T363-M370 HydrophobicContact CG2-SD 3.75Å; S368-M370 PolarHBondContact O-N 3.38Å; S368-M370 WeakPolarHBondContact OG-CB 3.43Å; S368-M370 PolarHBondContact OG-N 3.04Å; M370-R372 PolarHBondContact O-N 2.85Å; M370-R372 VanDerWaalsContact O-N 3.1Å; M370-E373 PolarHBondContact O-N 2.71Å; M370-F376 HydrophobicContact CB-CE2 4.4Å; M370-F376 HydrophobicContact CE-CE1 4.26Å; M370-F376 HydrophobicContact CE-CE2 3.65Å; M370-F376 HydrophobicContact CE-CZ 3.43Å; M370-F376 VanDerWaalsContact CE-CZ 3.43Å; M370-F376 HydrophobicContact CG-CE2 4.47Å
371	N	87.3	Confident	89.3	Confident	20 Å²	20	73.6 Å²	73.6	11%	0.107	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-69.4	-2	175.6	-68.6	-27.1	0	0	0	113	I362 T363 Q365 K366 S368 S369 Y377	I362-N371 WeakPolarHBondContact CB-OD1 3.36Å; I362-N371 PolarHBondContact N-OD1 3.16Å; T363-N371 PolarHBondContact N-OD1 3.38Å; T363-N371 PolarHBondContact O-ND2 3.24Å; T363-N371 PolarHBondContact O-OD1 3.35Å; T363-N371 PolarHBondContact OG1-ND2 3.47Å; T363-N371 PolarHBondContact OG1-OD1 2.89Å; Q365-N371 PolarHBondContact O-ND2 3.34Å; K366-N371 PolarHBondContact O-ND2 3.09Å; S368-N371 WeakPolarHBondContact O-CB 3.36Å; S368-N371 PolarHBondContact O-N 3.35Å; S368-N371 VanDerWaalsContact O-N 3.08Å; S369-N371 PolarHBondContact O-N 3.11Å; N371-Y377 PolarHBondContact O-OH 3.06Å
372	R	88.4	Confident	89.9	Confident	172 Å²	172	73 Å²	73	65%	0.649	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-126.2	12.3	178.7	-64.7	-178.5	169.1	173.5	-6.5	112.8	S369 M370 P374 E390 M394	S369-R372 PolarHBondContact O-N 2.82Å; M370-R372 PolarHBondContact O-N 2.85Å; M370-R372 VanDerWaalsContact O-N 3.1Å; R372-P374 WeakPolarHBondContact O-CD 3.23Å; R372-E390 IonicContact NH2-OE1 2.77Å; R372-E390 PolarHBondContact NH2-OE1 3.06Å; R372-M394 WeakPolarHBondContact O-CE 3.23Å
373	E	92.9	Very high	90.4	Very high	87 Å²	87	71.8 Å²	71.8	41%	0.407	35%	0.352	S	S	.	.			trans	-92.5	110.3	-174.2	177.6	56.8	-116	0	0	110.8	M370 C375 F376 Y377	M370-E373 PolarHBondContact O-N 2.71Å; E373-C375 PolarHBondContact O-N 3.13Å; E373-C375 VanDerWaalsContact O-N 3.11Å; E373-F376 HydrophobicContact CB-CD2 3.81Å; E373-F376 HydrophobicContact CB-CE2 4.23Å; E373-F376 HydrophobicContact CG-CD2 3.82Å; E373-F376 HydrophobicContact CG-CE2 4Å; E373-F376 PolarHBondContact O-N 2.91Å; E373-F376 VanDerWaalsContact O-N 3.13Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å
374	P	95.8	Very high	90.9	Very high	23 Å²	23	72.5 Å²	72.5	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-58	-29.4	-169.5	-27.5	36.3	0	0	0	115	R372 F376 Y377 K378 M394 A397 V398 L403	R372-P374 WeakPolarHBondContact O-CD 3.23Å; P374-F376 VanDerWaalsContact C-N 3.29Å; P374-F376 PolarHBondContact O-N 3.37Å; P374-Y377 WeakPolarHBondContact O-CB 3.49Å; P374-Y377 PolarHBondContact O-N 3.28Å; P374-Y377 VanDerWaalsContact O-N 3.1Å; P374-K378 PolarHBondContact O-N 2.76Å; P374-M394 HydrophobicContact CB-SD 4.03Å; P374-M394 HydrophobicContact CG-CE 4.5Å; P374-M394 HydrophobicContact CG-SD 4.01Å; P374-A397 HydrophobicContact CB-CB 4.15Å; P374-A397 HydrophobicContact CG-CB 3.83Å; P374-V398 HydrophobicContact CB-CG2 4.09Å; P374-L403 HydrophobicContact CB-CD1 4.17Å; P374-L403 HydrophobicContact CB-CD2 3.88Å
375	C	95.1	Very high	91.4	Very high	27 Å²	27	67.3 Å²	67.3	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-29.3	-180	-72.3	0	0	0	0	114	E373 S379 C405	E373-C375 PolarHBondContact O-N 3.13Å; E373-C375 VanDerWaalsContact O-N 3.11Å; C375-S379 PolarHBondContact O-N 2.74Å; C375-S379 PolarHBondContact O-OG 2.68Å; C375-S379 VanDerWaalsContact O-OG 3.07Å; C375-C405 WeakPolarHBondContact CA-SG 3.42Å; C375-C405 HydrophobicContact CB-CB 3.71Å; C375-C405 WeakPolarHBondContact CB-SG 3.18Å; C375-C405 WeakPolarHBondContact SG-CA 3.25Å; C375-C405 WeakPolarHBondContact SG-CB 3.21Å; C375-C405 CovalentContact SG-SG 2.04Å; C375-C405 PolarHBondContact SG-SG 3.31Å
376	F	94.3	Very high	92	Very high	57 Å²	57	61 Å²	61	25%	0.25	31%	0.308	C	S	.	.	H	α-helix	trans	-70.3	-42.4	170.3	-69.9	-67.4	0	0	0	111.2	I362 M370 E373 P374 K378 S379 L380	I362-F376 HydrophobicContact CD1-CB 3.44Å; I362-F376 VanDerWaalsContact CD1-CB 3.44Å; I362-F376 HydrophobicContact CD1-CD2 4.32Å; I362-F376 HydrophobicContact CD1-CG 4.11Å; I362-F376 HydrophobicContact CG1-CB 4.24Å; I362-F376 HydrophobicContact CG2-CD1 4.38Å; I362-F376 HydrophobicContact CG2-CD2 4.38Å; I362-F376 HydrophobicContact CG2-CG 4.18Å; M370-F376 HydrophobicContact CB-CE2 4.4Å; M370-F376 HydrophobicContact CE-CE1 4.26Å; M370-F376 HydrophobicContact CE-CE2 3.65Å; M370-F376 HydrophobicContact CE-CZ 3.43Å; M370-F376 VanDerWaalsContact CE-CZ 3.43Å; M370-F376 HydrophobicContact CG-CE2 4.47Å; E373-F376 HydrophobicContact CB-CD2 3.81Å; E373-F376 HydrophobicContact CB-CE2 4.23Å; E373-F376 HydrophobicContact CG-CD2 3.82Å; E373-F376 HydrophobicContact CG-CE2 4Å; E373-F376 PolarHBondContact O-N 2.91Å; E373-F376 VanDerWaalsContact O-N 3.13Å; P374-F376 VanDerWaalsContact C-N 3.29Å; P374-F376 PolarHBondContact O-N 3.37Å; F376-K378 PolarHBondContact O-N 2.91Å; F376-S379 PolarHBondContact O-N 3.44Å; F376-S379 VanDerWaalsContact O-N 3.09Å; F376-S379 PolarHBondContact O-OG 3.39Å; F376-S379 VanDerWaalsContact O-OG 3.08Å; F376-L380 HydrophobicContact CB-CD1 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.38Å; F376-L380 WeakPolarHBondContact O-CD1 3.46Å; F376-L380 WeakPolarHBondContact O-CG 3.2Å; F376-L380 PolarHBondContact O-N 3.29Å
377	Y	95.9	Very high	92.9	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-33.6	176.5	-73.9	-99.7	0	0	0	112.4	F252 I362 N371 E373 P374 S379 V383 L386 M394	F252-Y377 HydrophobicContact CB-CD1 3.75Å; F252-Y377 HydrophobicContact CB-CE1 3.72Å; F252-Y377 AromaticContact CD1-CD1 3.61Å; F252-Y377 HydrophobicContact CD1-CD1 3.61Å; F252-Y377 HydrophobicContact CD1-CE1 4.44Å; F252-Y377 AromaticContact CD2-CD1 3.92Å; F252-Y377 HydrophobicContact CD2-CD1 3.92Å; F252-Y377 HydrophobicContact CD2-CE1 4.47Å; F252-Y377 HydrophobicContact CE1-CD1 4.11Å; F252-Y377 HydrophobicContact CE2-CD1 4.38Å; F252-Y377 AromaticContact CG-CD1 3.5Å; F252-Y377 HydrophobicContact CG-CD1 3.5Å; F252-Y377 VanDerWaalsContact CG-CD1 3.5Å; F252-Y377 HydrophobicContact CG-CE1 4Å; F252-Y377 HydrophobicContact CZ-CD1 4.48Å; I362-Y377 HydrophobicContact CD1-CD2 4.07Å; I362-Y377 HydrophobicContact CD1-CE2 3.71Å; N371-Y377 PolarHBondContact O-OH 3.06Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å; P374-Y377 WeakPolarHBondContact O-CB 3.49Å; P374-Y377 PolarHBondContact O-N 3.28Å; P374-Y377 VanDerWaalsContact O-N 3.1Å; Y377-S379 VanDerWaalsContact C-N 3.34Å; Y377-V383 HydrophobicContact CD1-CB 3.96Å; Y377-V383 HydrophobicContact CD1-CG1 4.42Å; Y377-V383 HydrophobicContact CD1-CG2 3.89Å; Y377-V383 HydrophobicContact CE1-CB 3.49Å; Y377-V383 VanDerWaalsContact CE1-CB 3.49Å; Y377-V383 HydrophobicContact CE1-CG1 3.62Å; Y377-V383 HydrophobicContact CE1-CG2 3.91Å; Y377-V383 HydrophobicContact CE2-CG1 4.37Å; Y377-V383 HydrophobicContact CG-CG2 4.41Å; Y377-V383 WeakPolarHBondContact OH-CG1 3.47Å; Y377-L386 HydrophobicContact CE1-CD1 3.85Å; Y377-L386 HydrophobicContact CE1-CG 4.4Å; Y377-M394 HydrophobicContact CD1-CG 3.73Å; Y377-M394 HydrophobicContact CD1-SD 4.27Å; Y377-M394 HydrophobicContact CD2-CE 3.82Å; Y377-M394 HydrophobicContact CD2-CG 4.2Å; Y377-M394 HydrophobicContact CD2-SD 3.67Å; Y377-M394 HydrophobicContact CE1-CG 3.99Å; Y377-M394 HydrophobicContact CE2-CE 3.66Å; Y377-M394 HydrophobicContact CE2-CG 4.46Å; Y377-M394 HydrophobicContact CE2-SD 4.11Å; Y377-M394 HydrophobicContact CG-CE 4.41Å; Y377-M394 HydrophobicContact CG-CG 3.83Å; Y377-M394 HydrophobicContact CG-SD 3.77Å
378	K	95.5	Very high	93.5	Very high	89 Å²	89	48.1 Å²	48.1	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-34	174.4	-167.7	166.9	-179.8	173.2	0	113	N254 N257 P374 F376 V398 L403	N254-K378 PolarHBondContact ND2-O 3.45Å; N254-K378 VanDerWaalsContact ND2-O 3.12Å; N257-K378 PolarHBondContact ND2-O 3.3Å; P374-K378 PolarHBondContact O-N 2.76Å; F376-K378 PolarHBondContact O-N 2.91Å; K378-V398 HydrophobicContact CB-CG1 4.02Å; K378-V398 HydrophobicContact CG-CG1 4.33Å; K378-L403 HydrophobicContact CD-CD2 4.13Å
379	S	94.3	Very high	94.1	Very high	70 Å²	70	52.5 Å²	52.5	49%	0.49	27%	0.266	S	S	.	.	H	α-helix	trans	-96.1	-14.4	-177.1	53.9	0	0	0	0	114.8	C375 F376 Y377	C375-S379 PolarHBondContact O-N 2.74Å; C375-S379 PolarHBondContact O-OG 2.68Å; C375-S379 VanDerWaalsContact O-OG 3.07Å; F376-S379 PolarHBondContact O-N 3.44Å; F376-S379 VanDerWaalsContact O-N 3.09Å; F376-S379 PolarHBondContact O-OG 3.39Å; F376-S379 VanDerWaalsContact O-OG 3.08Å; Y377-S379 VanDerWaalsContact C-N 3.34Å
380	L	96.3	Very high	94.6	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.089	25%	0.247	C	C	.	.			trans	-96.3	169.8	179.5	-65.1	169.7	0	0	0	111.5	N254 N257 R358 I362 F376 V383	N254-L380 VanDerWaalsContact CB-O 3.23Å; N254-L380 WeakPolarHBondContact CB-O 3.37Å; N257-L380 PolarHBondContact ND2-O 3.3Å; R358-L380 HydrophobicContact CG-CD1 3.85Å; R358-L380 HydrophobicContact CG-CD2 4.17Å; I362-L380 HydrophobicContact CD1-CD1 4.35Å; I362-L380 HydrophobicContact CG1-CD1 3.83Å; F376-L380 HydrophobicContact CB-CD1 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.38Å; F376-L380 WeakPolarHBondContact O-CD1 3.46Å; F376-L380 WeakPolarHBondContact O-CG 3.2Å; F376-L380 PolarHBondContact O-N 3.29Å; L380-V383 HydrophobicContact CB-CG2 4.06Å; L380-V383 HydrophobicContact CD1-CG2 3.76Å
381	I	97.8	Very high	95.2	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	-99	-53.5	177.1	-57.6	178.5	0	0	0	109.7	V253 N254 N257 L258 F261 H354 G356 F357	V253-I381 CarbonylContact C-O 3.58Å; V253-I381 VanDerWaalsContact CA-O 3.28Å; V253-I381 WeakPolarHBondContact CA-O 3.46Å; N254-I381 PolarHBondContact N-O 2.96Å; N257-I381 HydrophobicContact CB-CG1 4Å; L258-I381 HydrophobicContact CB-CG2 3.88Å; L258-I381 HydrophobicContact CD1-CG2 4.01Å; L258-I381 HydrophobicContact CG-CG2 4.48Å; F261-I381 HydrophobicContact CB-CD1 3.95Å; F261-I381 HydrophobicContact CG-CD1 4.15Å; H354-I381 VanDerWaalsContact CE1-CD1 3.5Å; H354-I381 WeakPolarHBondContact CE1-CD1 3.17Å; G356-I381 PolarHBondContact O-N 3.05Å; F357-I381 HydrophobicContact CD2-CB 4.44Å; F357-I381 HydrophobicContact CD2-CD1 4.35Å; F357-I381 HydrophobicContact CE1-CG2 4.3Å; F357-I381 HydrophobicContact CE2-CB 4.22Å; F357-I381 HydrophobicContact CE2-CD1 3.75Å; F357-I381 HydrophobicContact CE2-CG2 4.15Å; F357-I381 HydrophobicContact CZ-CB 4.44Å; F357-I381 HydrophobicContact CZ-CD1 4.41Å; F357-I381 HydrophobicContact CZ-CG2 3.9Å
382	V	97.8	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.6	-178.7	178.4	0	0	0	0	110.1	F245 V251 F252 V253 G311 G356 F357 R358	F245-V382 HydrophobicContact CE2-CG2 3.62Å; F245-V382 HydrophobicContact CZ-CG2 3.89Å; V251-V382 HydrophobicContact CB-CG1 4.36Å; F252-V382 WeakPolarHBondContact O-CA 3.33Å; V253-V382 HydrophobicContact CG1-CG2 4.45Å; V253-V382 HydrophobicContact CG2-CG2 4.43Å; G311-V382 WeakPolarHBondContact O-CG1 3.36Å; G356-V382 PolarHBondContact O-N 2.94Å; F357-V382 HydrophobicContact CD1-CB 3.77Å; F357-V382 HydrophobicContact CD1-CG2 3.44Å; F357-V382 VanDerWaalsContact CD1-CG2 3.44Å; F357-V382 HydrophobicContact CE1-CB 4.37Å; F357-V382 HydrophobicContact CE1-CG2 3.53Å; F357-V382 HydrophobicContact CG-CB 4.38Å; F357-V382 HydrophobicContact CG-CG2 4.36Å; F357-V382 HydrophobicContact CZ-CG2 4.5Å; R358-V382 PolarHBondContact N-O 3.5Å
383	V	96.8	Very high	96.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	121.7	172	-172.6	0	0	0	0	110.7	F252 I362 Y377 L380	F252-V383 PolarHBondContact N-O 3.17Å; F252-V383 PolarHBondContact O-N 3.31Å; I362-V383 HydrophobicContact CD1-CG1 4.34Å; I362-V383 HydrophobicContact CG1-CG1 4.02Å; I362-V383 HydrophobicContact CG1-CG2 4.5Å; Y377-V383 HydrophobicContact CD1-CB 3.96Å; Y377-V383 HydrophobicContact CD1-CG1 4.42Å; Y377-V383 HydrophobicContact CD1-CG2 3.89Å; Y377-V383 HydrophobicContact CE1-CB 3.49Å; Y377-V383 VanDerWaalsContact CE1-CB 3.49Å; Y377-V383 HydrophobicContact CE1-CG1 3.62Å; Y377-V383 HydrophobicContact CE1-CG2 3.91Å; Y377-V383 HydrophobicContact CE2-CG1 4.37Å; Y377-V383 HydrophobicContact CG-CG2 4.41Å; Y377-V383 WeakPolarHBondContact OH-CG1 3.47Å; L380-V383 HydrophobicContact CB-CG2 4.06Å; L380-V383 HydrophobicContact CD1-CG2 3.76Å
384	H	94.4	Very high	96.4	Very high	45 Å²	45	45.3 Å²	45.3	21%	0.208	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.7	171.5	-171.3	-97.4	0	0	0	110	D250 V251 R358 G361	D250-H384 IonicContact OD1-CD2 2.68Å; D250-H384 PolarHBondContact OD1-CD2 3.03Å; D250-H384 VanDerWaalsContact OD1-CD2 3.27Å; D250-H384 IonicContact OD1-NE2 2.7Å; D250-H384 PolarHBondContact OD1-NE2 3.35Å; D250-H384 IonicContact OD2-NE2 2.75Å; V251-H384 HydrophobicContact CG1-CB 4.37Å; R358-H384 PolarHBondContact O-N 3Å; G361-H384 WeakPolarHBondContact CA-O 3.36Å; G361-H384 PolarHBondContact N-O 3.32Å; G361-H384 VanDerWaalsContact N-O 3.08Å
385	K	92.8	Very high	96.5	Very high	125 Å²	125	46.1 Å²	46.1	54%	0.543	22%	0.224	S	C	.	.			cis	-133.2	158.9	-3.1	57.1	177.4	-170.2	168.1	0	112.1	D250	D250-K385 HydrophobicContact CB-CB 4.32Å; D250-K385 CarbonylContact O-C 3.55Å; D250-K385 WeakPolarHBondContact O-CA 3.34Å; D250-K385 VanDerWaalsContact O-CB 3.27Å; D250-K385 WeakPolarHBondContact O-CB 3.37Å
386	L	94.9	Very high	96.6	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.058	24%	0.243	C	C	.	.			trans	-131.6	139.9	171.9	-61.3	177	0	0	0	109.8	D250 F252 Y377 E390 L391 M394	D250-L386 PolarHBondContact O-N 2.87Å; F252-L386 HydrophobicContact CB-CD1 3.98Å; F252-L386 HydrophobicContact CD2-CD1 4.43Å; Y377-L386 HydrophobicContact CE1-CD1 3.85Å; Y377-L386 HydrophobicContact CE1-CG 4.4Å; L386-E390 HydrophobicContact CB-CB 3.99Å; L386-E390 HydrophobicContact CD2-CB 3.96Å; L386-E390 HydrophobicContact CG-CB 4.49Å; L386-L391 HydrophobicContact CB-CB 4.16Å; L386-L391 HydrophobicContact CD1-CB 4.43Å; L386-L391 HydrophobicContact CD1-CD1 4.32Å; L386-M394 HydrophobicContact CD1-CB 3.77Å; L386-M394 HydrophobicContact CD1-CG 4Å
387	S	96.7	Very high	96.8	Very high	48 Å²	48	47.7 Å²	47.7	34%	0.336	24%	0.244	S	C	.	.			trans	-63.8	165	162.1	61.6	0	0	0	0	111.2	Q389 E390 L391	S387-Q389 VanDerWaalsContact C-N 3.26Å; S387-Q389 PolarHBondContact O-N 3.45Å; S387-E390 WeakPolarHBondContact CB-OE2 2.95Å; S387-E390 PolarHBondContact N-OE2 3.24Å; S387-E390 PolarHBondContact O-N 3.15Å; S387-E390 VanDerWaalsContact O-N 3.13Å; S387-E390 WeakPolarHBondContact OG-CB 3.32Å; S387-E390 VanDerWaalsContact OG-CD 3.29Å; S387-E390 VanDerWaalsContact OG-CG 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.39Å; S387-E390 PolarHBondContact OG-N 3.42Å; S387-E390 PolarHBondContact OG-OE2 3.19Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.09Å
388	A	98.1	Very high	96.8	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-52.9	-43.1	177.9	0	0	0	0	0	112.6	D159 R160 A163 L391 L392	D159-A388 HydrophobicContact CB-CB 4.28Å; R160-A388 HydrophobicContact CG-CB 4.38Å; A163-A388 HydrophobicContact CB-CB 3.89Å; A388-L391 PolarHBondContact O-N 3.41Å; A388-L392 WeakPolarHBondContact O-CG 2.98Å; A388-L392 PolarHBondContact O-N 3.22Å; A388-L392 VanDerWaalsContact O-N 3.14Å
389	Q	97.9	Very high	96.8	Very high	116 Å²	116	48.2 Å²	48.2	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-70.7	-41.9	178.6	-170.8	177.4	53.3	0	0	112.5	S387 L391 L392 R393	S387-Q389 VanDerWaalsContact C-N 3.26Å; S387-Q389 PolarHBondContact O-N 3.45Å; Q389-L391 VanDerWaalsContact C-N 3.29Å; Q389-L391 PolarHBondContact O-N 3.02Å; Q389-L392 PolarHBondContact O-N 3.03Å; Q389-R393 WeakPolarHBondContact O-CG 3.45Å; Q389-R393 PolarHBondContact O-N 3.3Å; Q389-R393 VanDerWaalsContact O-N 3.1Å
390	E	97.3	Very high	96.9	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-37.3	175.9	-71.5	167.9	136.3	0	0	111.1	R372 L386 S387 R393 M394	R372-E390 IonicContact NH2-OE1 2.77Å; R372-E390 PolarHBondContact NH2-OE1 3.06Å; L386-E390 HydrophobicContact CB-CB 3.99Å; L386-E390 HydrophobicContact CD2-CB 3.96Å; L386-E390 HydrophobicContact CG-CB 4.49Å; S387-E390 WeakPolarHBondContact CB-OE2 2.95Å; S387-E390 PolarHBondContact N-OE2 3.24Å; S387-E390 PolarHBondContact O-N 3.15Å; S387-E390 VanDerWaalsContact O-N 3.13Å; S387-E390 WeakPolarHBondContact OG-CB 3.32Å; S387-E390 VanDerWaalsContact OG-CD 3.29Å; S387-E390 VanDerWaalsContact OG-CG 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.39Å; S387-E390 PolarHBondContact OG-N 3.42Å; S387-E390 PolarHBondContact OG-OE2 3.19Å; E390-R393 PolarHBondContact O-N 3.43Å; E390-M394 VanDerWaalsContact O-CB 3.23Å; E390-M394 WeakPolarHBondContact O-CB 3.35Å; E390-M394 PolarHBondContact O-N 2.87Å
391	L	98.3	Very high	96.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-50	175.6	173.4	59.1	0	0	0	111.3	A163 V164 T167 F252 L386 S387 A388 Q389 R393 M394 W395	A163-L391 HydrophobicContact CB-CD2 4.03Å; V164-L391 HydrophobicContact CG2-CD2 4.22Å; T167-L391 HydrophobicContact CG2-CG 4.44Å; F252-L391 HydrophobicContact CB-CD1 4.27Å; F252-L391 HydrophobicContact CD2-CD1 3.9Å; F252-L391 HydrophobicContact CG-CD1 4.5Å; L386-L391 HydrophobicContact CB-CB 4.16Å; L386-L391 HydrophobicContact CD1-CB 4.43Å; L386-L391 HydrophobicContact CD1-CD1 4.32Å; S387-L391 WeakPolarHBondContact O-CB 3.46Å; S387-L391 PolarHBondContact O-N 3.09Å; A388-L391 PolarHBondContact O-N 3.41Å; Q389-L391 VanDerWaalsContact C-N 3.29Å; Q389-L391 PolarHBondContact O-N 3.02Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.4Å; L391-M394 PolarHBondContact O-N 3.34Å; L391-W395 VanDerWaalsContact O-CB 3.25Å; L391-W395 WeakPolarHBondContact O-CB 3.45Å; L391-W395 PolarHBondContact O-N 2.83Å
392	L	98.5	Very high	96.6	Very high	71 Å²	71	63.4 Å²	63.4	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-43.9	178.3	-71.3	166.1	0	0	0	112	A163 K166 T167 A388 Q389 S396	A163-L392 HydrophobicContact CB-CD1 4.33Å; A163-L392 HydrophobicContact CB-CD2 4.41Å; A163-L392 HydrophobicContact CB-CG 4.08Å; K166-L392 HydrophobicContact CB-CD2 3.99Å; K166-L392 HydrophobicContact CD-CD2 4.42Å; T167-L392 HydrophobicContact CG2-CD2 3.78Å; A388-L392 WeakPolarHBondContact O-CG 2.98Å; A388-L392 PolarHBondContact O-N 3.22Å; A388-L392 VanDerWaalsContact O-N 3.14Å; Q389-L392 PolarHBondContact O-N 3.03Å; L392-S396 PolarHBondContact O-N 3.34Å; L392-S396 VanDerWaalsContact O-N 3.08Å
393	R	97.9	Very high	96.4	Very high	153 Å²	153	65.1 Å²	65.1	58%	0.577	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-47.3	177.6	-70.9	176.5	-175.2	167.7	3.8	111.8	Q389 E390 L391 W395 S396 A397	Q389-R393 WeakPolarHBondContact O-CG 3.45Å; Q389-R393 PolarHBondContact O-N 3.3Å; Q389-R393 VanDerWaalsContact O-N 3.1Å; E390-R393 PolarHBondContact O-N 3.43Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.4Å; R393-W395 VanDerWaalsContact C-N 3.34Å; R393-W395 PolarHBondContact O-N 2.9Å; R393-S396 PolarHBondContact O-N 2.94Å; R393-A397 PolarHBondContact O-N 1.99Å
394	M	97.8	Very high	96.3	Very high	16 Å²	16	71.3 Å²	71.3	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-42.5	179.1	-176	56.2	69.1	0	0	111	F252 R372 P374 Y377 L386 E390 L391 S396 A397 V398	F252-M394 HydrophobicContact CD2-CG 3.99Å; F252-M394 HydrophobicContact CE2-CG 4.07Å; R372-M394 WeakPolarHBondContact O-CE 3.23Å; P374-M394 HydrophobicContact CB-SD 4.03Å; P374-M394 HydrophobicContact CG-CE 4.5Å; P374-M394 HydrophobicContact CG-SD 4.01Å; Y377-M394 HydrophobicContact CD1-CG 3.73Å; Y377-M394 HydrophobicContact CD1-SD 4.27Å; Y377-M394 HydrophobicContact CD2-CE 3.82Å; Y377-M394 HydrophobicContact CD2-CG 4.2Å; Y377-M394 HydrophobicContact CD2-SD 3.67Å; Y377-M394 HydrophobicContact CE1-CG 3.99Å; Y377-M394 HydrophobicContact CE2-CE 3.66Å; Y377-M394 HydrophobicContact CE2-CG 4.46Å; Y377-M394 HydrophobicContact CE2-SD 4.11Å; Y377-M394 HydrophobicContact CG-CE 4.41Å; Y377-M394 HydrophobicContact CG-CG 3.83Å; Y377-M394 HydrophobicContact CG-SD 3.77Å; L386-M394 HydrophobicContact CD1-CB 3.77Å; L386-M394 HydrophobicContact CD1-CG 4Å; E390-M394 VanDerWaalsContact O-CB 3.23Å; E390-M394 WeakPolarHBondContact O-CB 3.35Å; E390-M394 PolarHBondContact O-N 2.87Å; L391-M394 PolarHBondContact O-N 3.34Å; M394-S396 VanDerWaalsContact C-N 3.33Å; M394-S396 PolarHBondContact O-N 3.38Å; M394-A397 PolarHBondContact O-N 3.2Å; M394-V398 HydrophobicContact CG-CG2 4.22Å; M394-V398 WeakPolarHBondContact O-CB 3.16Å; M394-V398 VanDerWaalsContact O-CG2 3.3Å; M394-V398 WeakPolarHBondContact O-CG2 3.48Å; M394-V398 PolarHBondContact O-N 2.85Å; M394-V398 HydrophobicContact SD-CG2 3.9Å
395	W	98	Very high	96.2	Very high	39 Å²	39	70.9 Å²	70.9	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-57.7	-46.2	175.4	-173.1	-98.3	0	0	0	111.9	T167 W168 F252 V253 L391 R393 H399	T167-W395 HydrophobicContact CG2-CB 3.58Å; T167-W395 HydrophobicContact CG2-CD2 4Å; T167-W395 HydrophobicContact CG2-CG 3.46Å; T167-W395 VanDerWaalsContact CG2-CG 3.46Å; W168-W395 HydrophobicContact CB-CE3 4.3Å; W168-W395 HydrophobicContact CB-CH2 3.97Å; W168-W395 HydrophobicContact CB-CZ3 3.6Å; F252-W395 HydrophobicContact CD2-CE3 4.31Å; F252-W395 AromaticContact CE2-CE3 3.59Å; F252-W395 HydrophobicContact CE2-CE3 3.59Å; F252-W395 HydrophobicContact CE2-CZ3 4.23Å; F252-W395 AromaticContact CZ-CE3 3.93Å; F252-W395 HydrophobicContact CZ-CE3 3.93Å; F252-W395 HydrophobicContact CZ-CZ3 4.16Å; V253-W395 WeakPolarHBondContact O-CZ3 3.33Å; L391-W395 VanDerWaalsContact O-CB 3.25Å; L391-W395 WeakPolarHBondContact O-CB 3.45Å; L391-W395 PolarHBondContact O-N 2.83Å; R393-W395 VanDerWaalsContact C-N 3.34Å; R393-W395 PolarHBondContact O-N 2.9Å; W395-H399 AromaticContact CD2-CE1 3.51Å; W395-H399 AromaticContact CD2-ND1 3.68Å; W395-H399 AromaticContact CE2-CE1 3.4Å; W395-H399 AromaticContact CE2-ND1 3.68Å; W395-H399 AromaticContact CE3-CE1 3.57Å; W395-H399 AromaticContact CH2-CE1 3.45Å; W395-H399 VanDerWaalsContact CH2-CE1 3.45Å; W395-H399 WeakPolarHBondContact CH2-CE1 3.27Å; W395-H399 AromaticContact CH2-NE2 3.79Å; W395-H399 AromaticContact CZ2-CE1 3.4Å; W395-H399 WeakPolarHBondContact CZ2-CE1 3.3Å; W395-H399 AromaticContact CZ2-NE2 3.67Å; W395-H399 AromaticContact CZ3-CE1 3.52Å; W395-H399 AromaticContact NE1-ND1 3.96Å; W395-H399 WeakPolarHBondContact O-CB 3.3Å; W395-H399 PolarHBondContact O-N 3.13Å; W395-H399 PolarHBondContact O-ND1 3.3Å
396	S	97.8	Very high	95.8	Very high	83 Å²	83	69.7 Å²	69.7	58%	0.58	38%	0.376	S	S	*	.	H	α-helix	trans	-64.1	-39.9	175.9	-173.8	0	0	0	0	112.5	L392 R393 M394 N400	L392-S396 PolarHBondContact O-N 3.34Å; L392-S396 VanDerWaalsContact O-N 3.08Å; R393-S396 PolarHBondContact O-N 2.94Å; M394-S396 VanDerWaalsContact C-N 3.33Å; M394-S396 PolarHBondContact O-N 3.38Å; S396-N400 PolarHBondContact O-N 3Å; S396-N400 VanDerWaalsContact O-N 3.13Å
397	A	97.3	Very high	94.7	Very high	34 Å²	34	78.5 Å²	78.5	28%	0.281	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-47	179.1	0	0	0	0	0	112	P374 R393 M394 H399 N400 L403	P374-A397 HydrophobicContact CB-CB 4.15Å; P374-A397 HydrophobicContact CG-CB 3.83Å; R393-A397 PolarHBondContact O-N 1.99Å; M394-A397 PolarHBondContact O-N 3.2Å; A397-H399 VanDerWaalsContact C-N 3.3Å; A397-H399 PolarHBondContact O-N 2.75Å; A397-N400 WeakPolarHBondContact O-CB 3.42Å; A397-N400 PolarHBondContact O-N 3.49Å; A397-L403 WeakPolarHBondContact O-CD2 3.33Å
398	V	97	Very high	92.7	Very high	8 Å²	8	90 Å²	90	5%	0.048	45%	0.453	C	S	.	.	H	α-helix	trans	-62.8	-36.2	-179.8	171.5	0	0	0	0	112.3	F252 P374 K378 M394	F252-V398 HydrophobicContact CE2-CG2 4.27Å; F252-V398 HydrophobicContact CZ-CB 4.27Å; F252-V398 HydrophobicContact CZ-CG1 4.15Å; F252-V398 HydrophobicContact CZ-CG2 4.04Å; P374-V398 HydrophobicContact CB-CG2 4.09Å; K378-V398 HydrophobicContact CB-CG1 4.02Å; K378-V398 HydrophobicContact CG-CG1 4.33Å; M394-V398 HydrophobicContact CG-CG2 4.22Å; M394-V398 WeakPolarHBondContact O-CB 3.16Å; M394-V398 VanDerWaalsContact O-CG2 3.3Å; M394-V398 WeakPolarHBondContact O-CG2 3.48Å; M394-V398 PolarHBondContact O-N 2.85Å; M394-V398 HydrophobicContact SD-CG2 3.9Å
399	H	95.8	Very high	92.4	Very high	95 Å²	95	94 Å²	94	44%	0.44	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	5.1	-179.6	-64.8	83.3	0	0	0	113.5	W395 A397 K401	W395-H399 AromaticContact CD2-CE1 3.51Å; W395-H399 AromaticContact CD2-ND1 3.68Å; W395-H399 AromaticContact CE2-CE1 3.4Å; W395-H399 AromaticContact CE2-ND1 3.68Å; W395-H399 AromaticContact CE3-CE1 3.57Å; W395-H399 AromaticContact CH2-CE1 3.45Å; W395-H399 VanDerWaalsContact CH2-CE1 3.45Å; W395-H399 WeakPolarHBondContact CH2-CE1 3.27Å; W395-H399 AromaticContact CH2-NE2 3.79Å; W395-H399 AromaticContact CZ2-CE1 3.4Å; W395-H399 WeakPolarHBondContact CZ2-CE1 3.3Å; W395-H399 AromaticContact CZ2-NE2 3.67Å; W395-H399 AromaticContact CZ3-CE1 3.52Å; W395-H399 AromaticContact NE1-ND1 3.96Å; W395-H399 WeakPolarHBondContact O-CB 3.3Å; W395-H399 PolarHBondContact O-N 3.13Å; W395-H399 PolarHBondContact O-ND1 3.3Å; A397-H399 VanDerWaalsContact C-N 3.3Å; A397-H399 PolarHBondContact O-N 2.75Å; H399-K401 PolarHBondContact O-N 3.12Å
400	N	95.9	Very high	92.1	Very high	76 Å²	76	92.8 Å²	92.8	41%	0.406	47%	0.468	S	S	.	.			trans	-67.8	127.6	171.3	-170.9	-14.8	0	0	0	109.2	S396 A397 D402 L403	S396-N400 PolarHBondContact O-N 3Å; S396-N400 VanDerWaalsContact O-N 3.13Å; A397-N400 WeakPolarHBondContact O-CB 3.42Å; A397-N400 PolarHBondContact O-N 3.49Å; N400-D402 PolarHBondContact O-N 3.2Å; N400-D402 PolarHBondContact OD1-N 3.04Å; N400-L403 HydrophobicContact CB-CB 4.44Å; N400-L403 VanDerWaalsContact O-CB 3.31Å; N400-L403 WeakPolarHBondContact O-CB 3.47Å; N400-L403 PolarHBondContact O-N 3.29Å; N400-L403 VanDerWaalsContact O-N 3.14Å
401	K	92.4	Very high	91.8	Very high	205 Å²	205	94.6 Å²	94.6	89%	0.891	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.4	177.6	-68	-177.8	178.9	-179.4	0	112.4	H399 L403	H399-K401 PolarHBondContact O-N 3.12Å; K401-L403 VanDerWaalsContact C-N 3.28Å; K401-L403 PolarHBondContact O-N 3.31Å
402	D	94.7	Very high	91.4	Very high	131 Å²	131	100 Å²	100	70%	0.701	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.7	179.4	-53.1	-34.7	0	0	0	112.6	N400 V404	N400-D402 PolarHBondContact O-N 3.2Å; N400-D402 PolarHBondContact OD1-N 3.04Å; D402-V404 PolarHBondContact O-N 2.74Å
403	L	94.8	Very high	91	Very high	36 Å²	36	101.8 Å²	101.8	19%	0.188	51%	0.514	C	S	.	.			trans	-70.1	103.3	175.4	-179.7	67.7	0	0	0	110.1	P374 K378 A397 N400 K401	P374-L403 HydrophobicContact CB-CD1 4.17Å; P374-L403 HydrophobicContact CB-CD2 3.88Å; K378-L403 HydrophobicContact CD-CD2 4.13Å; A397-L403 WeakPolarHBondContact O-CD2 3.33Å; N400-L403 HydrophobicContact CB-CB 4.44Å; N400-L403 VanDerWaalsContact O-CB 3.31Å; N400-L403 WeakPolarHBondContact O-CB 3.47Å; N400-L403 PolarHBondContact O-N 3.29Å; N400-L403 VanDerWaalsContact O-N 3.14Å; K401-L403 VanDerWaalsContact C-N 3.28Å; K401-L403 PolarHBondContact O-N 3.31Å
404	V	93	Very high	90.5	Very high	131 Å²	131	98.4 Å²	98.4	79%	0.794	51%	0.509	S	S	*	.			trans	-89	121.5	171.5	-177.6	0	0	0	0	109.3	D402	D402-V404 PolarHBondContact O-N 2.74Å
405	C	92.6	Very high	90	Very high	37 Å²	37	104.3 Å²	104.3	25%	0.25	54%	0.54	C	S	.	.			trans	-110.9	141.7	173.3	-63.1	0	0	0	0	109.4	C375 Q407	C375-C405 WeakPolarHBondContact CA-SG 3.42Å; C375-C405 HydrophobicContact CB-CB 3.71Å; C375-C405 WeakPolarHBondContact CB-SG 3.18Å; C375-C405 WeakPolarHBondContact SG-CA 3.25Å; C375-C405 WeakPolarHBondContact SG-CB 3.21Å; C375-C405 CovalentContact SG-SG 2.04Å; C375-C405 PolarHBondContact SG-SG 3.31Å; C405-Q407 PolarHBondContact O-N 3Å
406	A	85.1	Confident	89.4	Confident	100 Å²	100	109.3 Å²	109.3	83%	0.826	57%	0.57	S	S	*	*			trans	-55.1	126.6	173.3	0	0	0	0	0	109.5
407	Q	71.1	Confident	88.7	Confident	196 Å²	196	111.5 Å²	111.5	92%	0.916	57%	0.569	S	S	*	*			trans	-67.9	135.6	170.9	-68.5	-176.6	-10.6	0	0	108	C405	C405-Q407 PolarHBondContact O-N 3Å
408	R	54.7	Low	87.9	Confident	289 Å²	289	118.5 Å²	118.5	100%	1.091	60%	0.596	S	S	*	*			trans	-85.7	0	175.5	-86.4	-170.1	178.1	175.3	0.8	111.2

Retrieved 408 of 408 residues in 80.2 ms (Link to these results)

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