A0A2K5U124_MACFA Loading...

Poly [ADP-ribose] polymerase

AlphaFold DB , UniProt , Accession A0A2K5U124, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene PARP11, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	30.8	Very low	211 Å²	211	162.4 Å²	162.4	100%	1.039	80%	0.797	S	S	*	*				0	104.6	0	-105.3	-161.9	-170.7	0	0	106.3
2	W	25.6	Very low	30.7	Very low	200 Å²	200	156.9 Å²	156.9	76%	0.758	80%	0.797	S	S	*	*			trans	41.7	144.5	146.2	47.7	-80	0	0	0	120
3	E	28.9	Very low	30.5	Very low	165 Å²	165	159.5 Å²	159.5	77%	0.771	80%	0.804	S	S	*	*			cis	-173.6	135.4	5.2	-105.2	156.7	-178.2	0	0	103.8
4	A	26.1	Very low	30.4	Very low	95 Å²	95	161.2 Å²	161.2	79%	0.785	81%	0.808	S	S	*	*				50.2	113.7	96.1	0	0	0	0	0	117.1
5	N	34.4	Very low	30.3	Very low	150 Å²	150	163.3 Å²	163.3	80%	0.802	81%	0.81	S	S	*	*			trans	5.7	154	141.9	-131.9	15.3	0	0	0	119.5
6	P	41.4	Very low	30.1	Very low	105 Å²	105	166 Å²	166	68%	0.682	82%	0.816	S	S	*	*				-160.7	159.7	75.1	38.3	-15	0	0	0	120.1
7	E	31.6	Very low	30	Very low	168 Å²	168	161.4 Å²	161.4	79%	0.785	80%	0.804	S	S	*	*			trans	51.8	126.1	136.2	-64.1	-177	169.5	0	0	124.2
8	M	29.7	Very low	30.1	Very low	137 Å²	137	164.2 Å²	164.2	68%	0.675	81%	0.811	S	S	*	*				153.9	124.1	105.2	-86	-142.4	-86.6	0	0	112.5
9	F	30.1	Very low	30	Very low	185 Å²	185	161.1 Å²	161.1	81%	0.811	80%	0.802	S	S	*	*				175	152.1	103.2	-100.9	-77.7	0	0	0	112.4
10	H	30.7	Very low	30.1	Very low	166 Å²	166	159.6 Å²	159.6	77%	0.769	80%	0.802	S	S	*	*			trans	-85	171.5	-157.3	-88.8	-83.6	0	0	0	118.4
11	K	29.3	Very low	30.1	Very low	204 Å²	204	158.1 Å²	158.1	89%	0.887	80%	0.797	S	S	*	*			trans	90.5	133.4	153.8	-79.4	173.2	175	-178.1	0	115.5
12	A	28.7	Very low	30.1	Very low	97 Å²	97	155.2 Å²	155.2	80%	0.802	79%	0.785	S	S	*	*			cis	-148.8	147.5	28.3	0	0	0	0	0	112.7
13	E	27.8	Very low	30.5	Very low	190 Å²	190	153.7 Å²	153.7	89%	0.888	79%	0.787	S	S	*	*			trans	-76.2	136.8	158.3	-68	173.2	142.3	0	0	109.1
14	E	30	Very low	30.9	Very low	184 Å²	184	151.8 Å²	151.8	86%	0.86	79%	0.786	S	S	*	*			trans	-152.9	110.8	146.7	-120	172.1	-165.7	0	0	110.1
15	F	28.1	Very low	31.3	Very low	192 Å²	192	154 Å²	154	84%	0.842	79%	0.785	S	S	*	*			trans	20	123.5	146.8	-82.9	-103.4	0	0	0	118.6
16	F	27.8	Very low	31.7	Very low	207 Å²	207	154.5 Å²	154.5	91%	0.908	79%	0.787	S	S	*	*				-161.4	143.9	118.3	-108.5	-76.9	0	0	0	112.3
17	S	28.4	Very low	31.5	Very low	87 Å²	87	156 Å²	156	61%	0.608	79%	0.787	S	S	*	*			trans	-65.7	149	-167.1	46.5	0	0	0	0	116.2	T19	S17-T19 PolarHBondContact O-N 2.86Å
18	K	32.2	Very low	32	Very low	212 Å²	212	154.6 Å²	154.6	92%	0.922	79%	0.785	S	S	*	*			trans	-44	119.8	157.3	-79.8	176.2	174.2	176.1	0	110.7
19	T	28.3	Very low	32.6	Very low	106 Å²	106	153.4 Å²	153.4	65%	0.65	79%	0.786	S	S	*	*			trans	-133.9	112.2	154	-41.7	0	0	0	0	108	S17 N21	S17-T19 PolarHBondContact O-N 2.86Å; T19-N21 PolarHBondContact O-N 3.36Å
20	T	32.1	Very low	33.6	Very low	131 Å²	131	148.7 Å²	148.7	80%	0.804	78%	0.775	S	S	*	*			trans	-58.5	105.3	162.2	39.7	0	0	0	0	108.7
21	N	29.1	Very low	34.9	Very low	129 Å²	129	147.6 Å²	147.6	69%	0.69	78%	0.775	S	S	*	*			trans	-93.4	103.5	165.6	-80.7	-4.6	0	0	0	108.1	T19 E23	T19-N21 PolarHBondContact O-N 3.36Å; N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.98Å; N21-E23 VanDerWaalsContact O-N 3.11Å
22	N	32.1	Very low	36.5	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	76%	0.756	S	S	*	*			trans	-65.7	94	155	-72.9	-29.4	0	0	0	106.7	V24	N22-V24 VanDerWaalsContact C-N 3.32Å; N22-V24 PolarHBondContact O-N 3.11Å; N22-V24 VanDerWaalsContact O-N 3.14Å
23	E	32.7	Very low	38.6	Very low	168 Å²	168	142.1 Å²	142.1	79%	0.785	74%	0.742	S	S	*	*			trans	-75.1	96.3	160.7	-72.8	179	176.9	0	0	106.3	N21 D25	N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.98Å; N21-E23 VanDerWaalsContact O-N 3.11Å; E23-D25 PolarHBondContact O-N 3Å
24	V	37.2	Very low	41.1	Very low	125 Å²	125	134.4 Å²	134.4	76%	0.758	71%	0.705	S	S	*	*			trans	-65.5	109.6	163.9	179	0	0	0	0	104.9	N22 D26	N22-V24 VanDerWaalsContact C-N 3.32Å; N22-V24 PolarHBondContact O-N 3.11Å; N22-V24 VanDerWaalsContact O-N 3.14Å; V24-D26 PolarHBondContact O-N 2.81Å
25	D	36.2	Very low	43.8	Very low	141 Å²	141	125.7 Å²	125.7	75%	0.754	66%	0.664	S	S	*	*			trans	-49.4	106.9	164.6	-76.1	-41.7	0	0	0	107.4	E23 M27	E23-D25 PolarHBondContact O-N 3Å; D25-M27 HydrophobicContact CB-CG 4.43Å; D25-M27 PolarHBondContact O-N 2.99Å
26	D	41.3	Very low	46.6	Very low	161 Å²	161	116.6 Å²	116.6	86%	0.861	62%	0.624	S	S	*	*			trans	-71.8	79.4	171.3	-145.8	6.3	0	0	0	105.9	V24 D28	V24-D26 PolarHBondContact O-N 2.81Å; D26-D28 PolarHBondContact O-N 3.34Å
27	M	38	Very low	49.4	Very low	138 Å²	138	107.6 Å²	107.6	68%	0.68	59%	0.585	S	S	*	*			trans	-60.2	103.8	172	-76.2	-83.7	-75	0	0	106.4	D25 T29	D25-M27 HydrophobicContact CB-CG 4.43Å; D25-M27 PolarHBondContact O-N 2.99Å; M27-T29 HydrophobicContact CB-CG2 4.1Å; M27-T29 PolarHBondContact O-N 3.18Å; M27-T29 PolarHBondContact O-OG1 3.49Å
28	D	41.3	Very low	52.1	Low	138 Å²	138	106.5 Å²	106.5	74%	0.738	57%	0.568	S	S	*	*			trans	-57.6	88.3	165	-175.5	4.5	0	0	0	108.1	D26 S30	D26-D28 PolarHBondContact O-N 3.34Å; D28-S30 PolarHBondContact O-N 2.82Å; D28-S30 WeakPolarHBondContact OD1-CB 3.46Å; D28-S30 PolarHBondContact OD1-N 2.85Å; D28-S30 VanDerWaalsContact OD1-N 3.12Å; D28-S30 PolarHBondContact OD1-OG 3.01Å
29	T	42.6	Very low	54.4	Low	112 Å²	112	99 Å²	99	69%	0.687	54%	0.537	S	S	*	.			trans	-94.5	33.7	174.7	45.2	0	0	0	0	109	M27 D31	M27-T29 HydrophobicContact CB-CG2 4.1Å; M27-T29 PolarHBondContact O-N 3.18Å; M27-T29 PolarHBondContact O-OG1 3.49Å; T29-D31 PolarHBondContact O-N 3.45Å
30	S	51.1	Low	56.5	Low	85 Å²	85	94.7 Å²	94.7	59%	0.594	51%	0.512	S	S	*	.			trans	-64.5	89.9	166.1	58.4	0	0	0	0	108.4	D28 T32	D28-S30 PolarHBondContact O-N 2.82Å; D28-S30 WeakPolarHBondContact OD1-CB 3.46Å; D28-S30 PolarHBondContact OD1-N 2.85Å; D28-S30 VanDerWaalsContact OD1-N 3.12Å; D28-S30 PolarHBondContact OD1-OG 3.01Å; S30-T32 PolarHBondContact O-N 2.91Å
31	D	58	Low	58	Low	143 Å²	143	95.3 Å²	95.3	77%	0.765	51%	0.506	S	S	*	.			trans	-44.1	118.6	166.3	-88.5	-28.1	0	0	0	107.4	T29 Q33	T29-D31 PolarHBondContact O-N 3.45Å; D31-Q33 PolarHBondContact O-N 2.92Å
32	T	63	Low	59.5	Low	79 Å²	79	93.2 Å²	93.2	49%	0.485	50%	0.501	S	S	.	.			trans	-51.1	115.2	178.3	-58.9	0	0	0	0	108	S30 W34 P108	S30-T32 PolarHBondContact O-N 2.91Å; T32-W34 HydrophobicContact CG2-CD2 4.4Å; T32-W34 HydrophobicContact CG2-CZ2 4.06Å; T32-W34 PolarHBondContact O-N 2.86Å; T32-W34 PolarHBondContact O-NE1 3.49Å; T32-P108 HydrophobicContact CG2-CB 4Å; T32-P108 HydrophobicContact CG2-CG 4.37Å
33	Q	73	Confident	60.8	Low	107 Å²	107	88.8 Å²	88.8	50%	0.5	49%	0.49	S	S	.	.			trans	-72.3	127.2	179	-165.1	172.6	10.4	0	0	107.8	D31 P108 F109	D31-Q33 PolarHBondContact O-N 2.92Å; Q33-P108 CarbonylContact O-C 3.49Å; Q33-P108 WeakPolarHBondContact O-CA 3.49Å; Q33-F109 HydrophobicContact CB-CB 4.34Å; Q33-F109 HydrophobicContact CG-CB 4.29Å; Q33-F109 HydrophobicContact CG-CD1 4.2Å; Q33-F109 PolarHBondContact O-N 2.78Å
34	W	80.2	Confident	62.1	Low	29 Å²	29	87.8 Å²	87.8	11%	0.11	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	-176	-69.3	94.1	0	0	0	111.4	T32 E64 R106 P108 N131	T32-W34 HydrophobicContact CG2-CD2 4.4Å; T32-W34 HydrophobicContact CG2-CZ2 4.06Å; T32-W34 PolarHBondContact O-N 2.86Å; T32-W34 PolarHBondContact O-NE1 3.49Å; W34-E64 HydrophobicContact CB-CG 4.15Å; W34-R106 HydrophobicContact CB-CG 4.45Å; W34-R106 HydrophobicContact CD2-CG 4.46Å; W34-R106 VanDerWaalsContact CE2-CZ 3.49Å; W34-R106 HydrophobicContact CE3-CG 3.85Å; W34-R106 VanDerWaalsContact CG-CZ 3.4Å; W34-R106 VanDerWaalsContact CH2-NH1 3.34Å; W34-R106 VanDerWaalsContact NE1-NH2 3.11Å; W34-P108 HydrophobicContact CE3-CG 4.3Å; W34-P108 HydrophobicContact CH2-CG 4.17Å; W34-P108 HydrophobicContact CZ3-CG 3.88Å; W34-N131 VanDerWaalsContact CZ2-OD1 3.24Å; W34-N131 WeakPolarHBondContact CZ2-OD1 3.39Å
35	G	86.5	Confident	64	Low	1 Å²	1	85.9 Å²	85.9	1%	0.01	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144	175	0	0	0	0	0	112.1	F37 S60 R106 A107	G35-F37 VanDerWaalsContact C-CE2 3.49Å; G35-F37 WeakPolarHBondContact O-CE2 3.26Å; G35-S60 VanDerWaalsContact CA-OG 3.28Å; G35-S60 WeakPolarHBondContact CA-OG 3.07Å; G35-R106 CarbonylContact O-C 3.59Å; G35-R106 WeakPolarHBondContact O-CA 3.24Å; G35-A107 WeakPolarHBondContact CA-O 3.5Å; G35-A107 PolarHBondContact N-O 2.89Å; G35-A107 PolarHBondContact O-N 2.99Å
36	W	88.1	Confident	65.8	Low	0 Å²	0	82.9 Å²	82.9	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	173	-75.2	82.1	0	0	0	110.6	M47 F48 S60 I63 E64 F67 F88 M91 I104 K105 R106	W36-M47 CarbonylContact O-C 3.57Å; W36-M47 WeakPolarHBondContact O-CA 3.29Å; W36-M47 VanDerWaalsContact O-CG 3.27Å; W36-M47 WeakPolarHBondContact O-CG 3.21Å; W36-F48 HydrophobicContact CB-CD2 3.75Å; W36-F48 HydrophobicContact CB-CE2 4.41Å; W36-F48 WeakPolarHBondContact O-CD2 3.39Å; W36-F48 PolarHBondContact O-N 2.89Å; W36-S60 PolarHBondContact N-OG 3.1Å; W36-I63 HydrophobicContact CB-CB 4.36Å; W36-I63 HydrophobicContact CB-CD1 4.28Å; W36-I63 HydrophobicContact CB-CG2 4.15Å; W36-I63 HydrophobicContact CD2-CB 4.3Å; W36-I63 HydrophobicContact CD2-CG2 3.38Å; W36-I63 HydrophobicContact CE3-CG2 3.77Å; W36-I63 HydrophobicContact CG-CB 3.95Å; W36-I63 HydrophobicContact CG-CG2 3.54Å; W36-I63 HydrophobicContact CZ2-CG2 4.3Å; W36-I63 HydrophobicContact CZ3-CG2 4.37Å; W36-E64 VanDerWaalsContact NE1-CA 3.29Å; W36-E64 PolarHBondContact NE1-OE2 3.22Å; W36-F67 HydrophobicContact CH2-CB 4.03Å; W36-F67 HydrophobicContact CH2-CD1 4.35Å; W36-F67 AromaticContact CH2-CD2 3.56Å; W36-F67 HydrophobicContact CH2-CD2 3.56Å; W36-F67 HydrophobicContact CH2-CE2 4.05Å; W36-F67 AromaticContact CH2-CG 3.72Å; W36-F67 HydrophobicContact CH2-CG 3.72Å; W36-F67 HydrophobicContact CZ2-CB 3.43Å; W36-F67 VanDerWaalsContact CZ2-CB 3.43Å; W36-F67 AromaticContact CZ2-CD1 3.8Å; W36-F67 HydrophobicContact CZ2-CD1 3.8Å; W36-F67 AromaticContact CZ2-CD2 3.76Å; W36-F67 HydrophobicContact CZ2-CD2 3.76Å; W36-F67 HydrophobicContact CZ2-CE1 4.48Å; W36-F67 HydrophobicContact CZ2-CE2 4.44Å; W36-F67 AromaticContact CZ2-CG 3.38Å; W36-F67 HydrophobicContact CZ2-CG 3.38Å; W36-F88 AromaticContact CH2-CD1 3.76Å; W36-F88 HydrophobicContact CH2-CD1 3.76Å; W36-F88 AromaticContact CH2-CE1 3.92Å; W36-F88 HydrophobicContact CH2-CE1 3.92Å; W36-F88 HydrophobicContact CZ2-CE1 4.33Å; W36-F88 HydrophobicContact CZ3-CD1 4.05Å; W36-F88 HydrophobicContact CZ3-CE1 4.16Å; W36-M91 HydrophobicContact CH2-CE 4.46Å; W36-M91 HydrophobicContact CH2-SD 4.39Å; W36-M91 HydrophobicContact CZ3-CE 3.99Å; W36-M91 HydrophobicContact CZ3-SD 4.17Å; W36-I104 HydrophobicContact CE3-CD1 4.09Å; W36-I104 HydrophobicContact CZ3-CD1 3.81Å; W36-K105 WeakPolarHBondContact CA-O 3.4Å; W36-R106 HydrophobicContact CD2-CB 4.13Å; W36-R106 HydrophobicContact CD2-CG 4.38Å; W36-R106 HydrophobicContact CE3-CB 4.21Å; W36-R106 HydrophobicContact CH2-CB 4Å; W36-R106 HydrophobicContact CH2-CG 4.46Å; W36-R106 HydrophobicContact CZ2-CB 3.89Å; W36-R106 HydrophobicContact CZ2-CG 3.86Å; W36-R106 HydrophobicContact CZ3-CB 4.15Å
37	F	86.3	Confident	67.7	Low	18 Å²	18	76.9 Å²	76.9	8%	0.079	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.5	-174.1	-51.9	-101.8	0	0	0	111.5	G35 W45 H46 M47 I104 K105 A107	G35-F37 VanDerWaalsContact C-CE2 3.49Å; G35-F37 WeakPolarHBondContact O-CE2 3.26Å; F37-W45 HydrophobicContact CB-CB 4.3Å; F37-W45 HydrophobicContact CB-CE3 3.96Å; F37-H46 CarbonylContact C-O 3.55Å; F37-H46 WeakPolarHBondContact CA-O 3.29Å; F37-H46 WeakPolarHBondContact CB-O 3.33Å; F37-M47 HydrophobicContact CD1-CB 3.7Å; F37-M47 HydrophobicContact CD1-CG 4.05Å; F37-M47 HydrophobicContact CE1-CB 3.66Å; F37-M47 HydrophobicContact CE1-CG 3.79Å; F37-M47 HydrophobicContact CE1-SD 3.99Å; F37-M47 HydrophobicContact CZ-CB 4.49Å; F37-M47 HydrophobicContact CZ-CG 4.13Å; F37-M47 HydrophobicContact CZ-SD 3.97Å; F37-I104 CarbonylContact O-C 3.57Å; F37-I104 WeakPolarHBondContact O-CA 3.41Å; F37-I104 VanDerWaalsContact O-CB 3.31Å; F37-I104 WeakPolarHBondContact O-CB 3.32Å; F37-K105 HydrophobicContact CB-CG 3.85Å; F37-K105 HydrophobicContact CD2-CG 4.14Å; F37-K105 HydrophobicContact CG-CG 4.35Å; F37-K105 PolarHBondContact N-O 3.43Å; F37-K105 PolarHBondContact O-N 2.98Å; F37-A107 HydrophobicContact CD2-CB 4.34Å; F37-A107 HydrophobicContact CE2-CB 3.86Å
38	Y	84.5	Confident	69.7	Low	65 Å²	65	70.8 Å²	70.8	26%	0.255	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.2	170	63.7	-88.5	0	0	0	111.1	A40 W45 H46 F48 L103	Y38-A40 HydrophobicContact CD2-CB 4.44Å; Y38-A40 HydrophobicContact CE2-CB 4.09Å; Y38-A40 PolarHBondContact O-N 2.93Å; Y38-W45 VanDerWaalsContact C-CE3 3.43Å; Y38-W45 WeakPolarHBondContact O-CA 3.35Å; Y38-H46 HydrophobicContact CD1-CB 4.31Å; Y38-H46 VanDerWaalsContact CD1-O 3.3Å; Y38-H46 WeakPolarHBondContact CD1-O 3.32Å; Y38-H46 HydrophobicContact CD2-CB 4.35Å; Y38-H46 HydrophobicContact CE1-CB 3.72Å; Y38-H46 HydrophobicContact CE2-CB 3.78Å; Y38-H46 VanDerWaalsContact CZ-CB 3.43Å; Y38-H46 PolarHBondContact N-O 2.81Å; Y38-H46 PolarHBondContact O-N 3.35Å; Y38-F48 HydrophobicContact CD1-CD1 4.08Å; Y38-F48 HydrophobicContact CD1-CD2 4.27Å; Y38-F48 AromaticContact CD1-CE1 3.76Å; Y38-F48 HydrophobicContact CD1-CE1 3.76Å; Y38-F48 AromaticContact CD1-CE2 3.98Å; Y38-F48 HydrophobicContact CD1-CE2 3.98Å; Y38-F48 HydrophobicContact CD1-CG 4.32Å; Y38-F48 AromaticContact CD1-CZ 3.72Å; Y38-F48 HydrophobicContact CD1-CZ 3.72Å; Y38-F48 HydrophobicContact CE1-CD1 4.48Å; Y38-F48 HydrophobicContact CE1-CE1 4.46Å; Y38-F48 HydrophobicContact CG-CE1 4.48Å; Y38-F48 HydrophobicContact CG-CZ 4.15Å; Y38-L103 WeakPolarHBondContact CA-O 2.96Å
39	L	80.3	Confident	71.1	Confident	53 Å²	53	69.4 Å²	69.4	28%	0.277	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.8	175.7	-175	63.7	0	0	0	109.5	W45 R102 L103	L39-W45 HydrophobicContact CB-CD2 4.39Å; L39-W45 HydrophobicContact CB-CE3 4.06Å; L39-W45 HydrophobicContact CB-CH2 4Å; L39-W45 HydrophobicContact CB-CZ2 4.31Å; L39-W45 HydrophobicContact CB-CZ3 3.85Å; L39-W45 HydrophobicContact CD1-CD2 4.24Å; L39-W45 HydrophobicContact CD1-CZ2 4.41Å; L39-R102 WeakPolarHBondContact O-CD 3.12Å; L39-L103 HydrophobicContact CB-CB 4.38Å; L39-L103 HydrophobicContact CD2-CD1 4.43Å; L39-L103 PolarHBondContact N-O 3.16Å
40	A	72.3	Confident	71.7	Confident	16 Å²	16	68.6 Å²	68.6	13%	0.132	37%	0.367	C	S	.	.			trans	-78.3	166.1	179.7	0	0	0	0	0	112.4	Y38 C42 G43 K44 H46	Y38-A40 HydrophobicContact CD2-CB 4.44Å; Y38-A40 HydrophobicContact CE2-CB 4.09Å; Y38-A40 PolarHBondContact O-N 2.93Å; A40-C42 PolarHBondContact O-N 3.44Å; A40-G43 PolarHBondContact O-N 2.8Å; A40-K44 PolarHBondContact N-O 3.32Å; A40-H46 WeakPolarHBondContact CB-CD2 3.45Å
41	E	65.4	Low	71.6	Confident	145 Å²	145	68.8 Å²	68.8	68%	0.678	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.3	178	-81.2	171.8	-176.5	0	0	113.4	G43 R102	E41-G43 PolarHBondContact O-N 2.98Å; E41-R102 VanDerWaalsContact CG-NH2 3.28Å; E41-R102 IonicContact OE1-CZ 3.22Å; E41-R102 IonicContact OE1-NH2 3.76Å; E41-R102 PolarHBondContact OE1-NH2 3.09Å; E41-R102 IonicContact OE2-NH2 2.79Å
42	C	59.5	Low	71.3	Confident	85 Å²	85	69.2 Å²	69.2	57%	0.574	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-1.8	172.4	64	0	0	0	0	113.5	A40 K44	A40-C42 PolarHBondContact O-N 3.44Å; C42-K44 VanDerWaalsContact C-N 3.28Å; C42-K44 PolarHBondContact O-N 2.86Å
43	G	58.5	Low	70.7	Confident	56 Å²	56	73.1 Å²	73.1	58%	0.577	39%	0.387	S	S	*	.	S	Bend	trans	78.7	6.9	-177.8	0	0	0	0	0	114.4	A40 E41	A40-G43 PolarHBondContact O-N 2.8Å; E41-G43 PolarHBondContact O-N 2.98Å
44	K	61.9	Low	69.9	Low	147 Å²	147	70.7 Å²	70.7	64%	0.639	38%	0.382	S	S	*	.			trans	-104.4	152.5	178	-60.3	-172.7	177.6	-173.1	0	111.7	A40 C42	A40-K44 PolarHBondContact N-O 3.32Å; C42-K44 VanDerWaalsContact C-N 3.28Å; C42-K44 PolarHBondContact O-N 2.86Å
45	W	75.7	Confident	69	Low	84 Å²	84	77.1 Å²	77.1	32%	0.318	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.3	173.6	-69.5	99.3	0	0	0	110	F37 Y38 L39 L103 K105	F37-W45 HydrophobicContact CB-CB 4.3Å; F37-W45 HydrophobicContact CB-CE3 3.96Å; Y38-W45 VanDerWaalsContact C-CE3 3.43Å; Y38-W45 WeakPolarHBondContact O-CA 3.35Å; L39-W45 HydrophobicContact CB-CD2 4.39Å; L39-W45 HydrophobicContact CB-CE3 4.06Å; L39-W45 HydrophobicContact CB-CH2 4Å; L39-W45 HydrophobicContact CB-CZ2 4.31Å; L39-W45 HydrophobicContact CB-CZ3 3.85Å; L39-W45 HydrophobicContact CD1-CD2 4.24Å; L39-W45 HydrophobicContact CD1-CZ2 4.41Å; W45-L103 HydrophobicContact CH2-CB 3.93Å; W45-L103 WeakPolarHBondContact CZ3-O 3.4Å; W45-K105 HydrophobicContact CD2-CD 3.69Å; W45-K105 HydrophobicContact CD2-CG 4.07Å; W45-K105 HydrophobicContact CE3-CD 3.86Å; W45-K105 HydrophobicContact CE3-CG 3.69Å; W45-K105 HydrophobicContact CG-CD 4.18Å; W45-K105 VanDerWaalsContact CG-CE 3.48Å; W45-K105 HydrophobicContact CH2-CB 4.11Å; W45-K105 HydrophobicContact CH2-CD 4.2Å; W45-K105 HydrophobicContact CH2-CG 4.09Å; W45-K105 HydrophobicContact CZ2-CD 4.05Å; W45-K105 HydrophobicContact CZ2-CG 4.45Å; W45-K105 HydrophobicContact CZ3-CB 4.04Å; W45-K105 HydrophobicContact CZ3-CD 4.11Å; W45-K105 HydrophobicContact CZ3-CG 3.7Å
46	H	74.1	Confident	68.6	Low	78 Å²	78	78.6 Å²	78.6	36%	0.361	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.8	175.8	-76.9	-100.8	0	0	0	109.7	F37 Y38 A40	F37-H46 CarbonylContact C-O 3.55Å; F37-H46 WeakPolarHBondContact CA-O 3.29Å; F37-H46 WeakPolarHBondContact CB-O 3.33Å; Y38-H46 HydrophobicContact CD1-CB 4.31Å; Y38-H46 VanDerWaalsContact CD1-O 3.3Å; Y38-H46 WeakPolarHBondContact CD1-O 3.32Å; Y38-H46 HydrophobicContact CD2-CB 4.35Å; Y38-H46 HydrophobicContact CE1-CB 3.72Å; Y38-H46 HydrophobicContact CE2-CB 3.78Å; Y38-H46 VanDerWaalsContact CZ-CB 3.43Å; Y38-H46 PolarHBondContact N-O 2.81Å; Y38-H46 PolarHBondContact O-N 3.35Å; A40-H46 WeakPolarHBondContact CB-CD2 3.45Å
47	M	81.1	Confident	68.4	Low	36 Å²	36	81.7 Å²	81.7	18%	0.177	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.2	178.9	-161.5	167.4	70.1	0	0	110.6	W36 F37 Q49 F109	W36-M47 CarbonylContact O-C 3.57Å; W36-M47 WeakPolarHBondContact O-CA 3.29Å; W36-M47 VanDerWaalsContact O-CG 3.27Å; W36-M47 WeakPolarHBondContact O-CG 3.21Å; F37-M47 HydrophobicContact CD1-CB 3.7Å; F37-M47 HydrophobicContact CD1-CG 4.05Å; F37-M47 HydrophobicContact CE1-CB 3.66Å; F37-M47 HydrophobicContact CE1-CG 3.79Å; F37-M47 HydrophobicContact CE1-SD 3.99Å; F37-M47 HydrophobicContact CZ-CB 4.49Å; F37-M47 HydrophobicContact CZ-CG 4.13Å; F37-M47 HydrophobicContact CZ-SD 3.97Å; M47-Q49 VanDerWaalsContact C-N 3.3Å; M47-Q49 HydrophobicContact CB-CG 4.26Å; M47-Q49 HydrophobicContact CE-CG 3.37Å; M47-Q49 HydrophobicContact CG-CG 4.46Å; M47-Q49 PolarHBondContact O-N 2.67Å; M47-F109 HydrophobicContact CE-CD2 4.09Å; M47-F109 HydrophobicContact CE-CE2 3.63Å; M47-F109 HydrophobicContact CE-CZ 4.49Å; M47-F109 HydrophobicContact SD-CD2 3.67Å; M47-F109 HydrophobicContact SD-CE2 3.84Å
48	F	80.5	Confident	68.4	Low	9 Å²	9	81.4 Å²	81.4	4%	0.039	44%	0.444	C	S	.	.			trans	-72.9	87	168.5	-71	-83	0	0	0	109.3	W36 Y38 S60 I63 F77 I86 I104	W36-F48 HydrophobicContact CB-CD2 3.75Å; W36-F48 HydrophobicContact CB-CE2 4.41Å; W36-F48 WeakPolarHBondContact O-CD2 3.39Å; W36-F48 PolarHBondContact O-N 2.89Å; Y38-F48 HydrophobicContact CD1-CD1 4.08Å; Y38-F48 HydrophobicContact CD1-CD2 4.27Å; Y38-F48 AromaticContact CD1-CE1 3.76Å; Y38-F48 HydrophobicContact CD1-CE1 3.76Å; Y38-F48 AromaticContact CD1-CE2 3.98Å; Y38-F48 HydrophobicContact CD1-CE2 3.98Å; Y38-F48 HydrophobicContact CD1-CG 4.32Å; Y38-F48 AromaticContact CD1-CZ 3.72Å; Y38-F48 HydrophobicContact CD1-CZ 3.72Å; Y38-F48 HydrophobicContact CE1-CD1 4.48Å; Y38-F48 HydrophobicContact CE1-CE1 4.46Å; Y38-F48 HydrophobicContact CG-CE1 4.48Å; Y38-F48 HydrophobicContact CG-CZ 4.15Å; F48-S60 WeakPolarHBondContact O-CB 3.4Å; F48-S60 PolarHBondContact O-N 2.79Å; F48-I63 HydrophobicContact CB-CD1 3.73Å; F48-I63 HydrophobicContact CD1-CD1 3.84Å; F48-I63 HydrophobicContact CD2-CD1 3.62Å; F48-I63 HydrophobicContact CE1-CD1 4.34Å; F48-I63 HydrophobicContact CE2-CD1 4.15Å; F48-I63 HydrophobicContact CG-CD1 3.45Å; F48-I63 VanDerWaalsContact CG-CD1 3.45Å; F48-I63 HydrophobicContact CZ-CD1 4.48Å; F48-F77 HydrophobicContact CD1-CZ 4.39Å; F48-F77 HydrophobicContact CE1-CE1 4.19Å; F48-F77 HydrophobicContact CE1-CE2 4.39Å; F48-F77 AromaticContact CE1-CZ 3.69Å; F48-F77 HydrophobicContact CE1-CZ 3.69Å; F48-I86 HydrophobicContact CE1-CD1 4.16Å; F48-I86 HydrophobicContact CE2-CD1 4.24Å; F48-I86 HydrophobicContact CZ-CD1 3.81Å; F48-I104 HydrophobicContact CE2-CG2 4.1Å; F48-I104 HydrophobicContact CZ-CG2 4.05Å
49	Q	71	Confident	68.5	Low	109 Å²	109	79.1 Å²	79.1	51%	0.509	44%	0.438	S	S	.	.			trans	-103.1	149	175.5	-76.2	-175.6	-29.4	0	0	111.6	M47 D51	M47-Q49 VanDerWaalsContact C-N 3.3Å; M47-Q49 HydrophobicContact CB-CG 4.26Å; M47-Q49 HydrophobicContact CE-CG 3.37Å; M47-Q49 HydrophobicContact CG-CG 4.46Å; M47-Q49 PolarHBondContact O-N 2.67Å; Q49-D51 PolarHBondContact O-N 2.97Å
50	P	54.8	Low	68.9	Low	95 Å²	95	76.8 Å²	76.8	62%	0.617	43%	0.426	S	S	*	.			trans	-73.1	97.9	158.3	19.9	-10.8	0	0	0	108.4
51	D	49.8	Very low	69.6	Low	90 Å²	90	80.8 Å²	80.8	48%	0.481	44%	0.442	S	S	.	.			trans	-65.2	140.8	165.1	-87.7	-28.2	0	0	0	108.8	Q49 N53 S54	Q49-D51 PolarHBondContact O-N 2.97Å; D51-N53 PolarHBondContact O-N 3.19Å; D51-N53 VanDerWaalsContact O-N 3.09Å; D51-S54 PolarHBondContact O-N 2.62Å; D51-S54 PolarHBondContact OD2-OG 3.36Å
52	T	51	Low	70.8	Confident	151 Å²	151	77.5 Å²	77.5	93%	0.926	43%	0.429	S	S	*	.	S	Bend	trans	-60.8	-17.5	169.9	12	0	0	0	0	113
53	N	51.2	Low	72.3	Confident	161 Å²	161	73.5 Å²	73.5	86%	0.861	40%	0.401	S	S	*	.	S	Bend	trans	-115.4	-8.6	179.2	-80.2	-19.3	0	0	0	115.1	D51	D51-N53 PolarHBondContact O-N 3.19Å; D51-N53 VanDerWaalsContact O-N 3.09Å
54	S	55.1	Low	74	Confident	56 Å²	56	71.5 Å²	71.5	39%	0.392	38%	0.377	S	S	.	.	S	Bend	trans	-118.4	102.5	179.1	-44.4	0	0	0	0	108.8	D51 C56	D51-S54 PolarHBondContact O-N 2.62Å; D51-S54 PolarHBondContact OD2-OG 3.36Å; S54-C56 VanDerWaalsContact C-N 3.29Å; S54-C56 PolarHBondContact O-N 3.49Å
55	Q	62.5	Low	75.4	Confident	165 Å²	165	71.8 Å²	71.8	77%	0.771	38%	0.379	S	S	*	.			trans	-66.1	87.7	174	-73.2	-178.8	-11.5	0	0	110	T79 S80	Q55-T79 CarbonylContact O-C 3.59Å; Q55-T79 VanDerWaalsContact O-CA 3.29Å; Q55-T79 WeakPolarHBondContact O-CA 3.31Å; Q55-S80 PolarHBondContact O-N 3.47Å
56	C	77.9	Confident	76.2	Confident	32 Å²	32	69.5 Å²	69.5	22%	0.216	38%	0.375	C	S	.	.			trans	-91.6	132.6	164.6	-173.4	0	0	0	0	108.3	S54 V58	S54-C56 VanDerWaalsContact C-N 3.29Å; S54-C56 PolarHBondContact O-N 3.49Å; C56-V58 PolarHBondContact O-N 3.2Å; C56-V58 PolarHBondContact SG-O 3.33Å
57	S	83.1	Confident	77.1	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	37%	0.365	S	S	.	.	S	Bend	trans	-80	-1.6	-176	74.9	0	0	0	0	114.4	F77 T78	S57-F77 WeakPolarHBondContact OG-CA 3.49Å; S57-F77 WeakPolarHBondContact OG-CB 3.31Å; S57-T78 PolarHBondContact N-O 2.99Å; S57-T78 PolarHBondContact OG-N 3.25Å; S57-T78 PolarHBondContact OG-O 3.45Å
58	V	86.5	Confident	77.6	Confident	13 Å²	13	72 Å²	72	8%	0.079	38%	0.384	C	S	.	.			trans	-140	143.4	178.6	-62.7	0	0	0	0	110.2	C56 D62 I63 I75 F77	C56-V58 PolarHBondContact O-N 3.2Å; C56-V58 PolarHBondContact SG-O 3.33Å; V58-D62 HydrophobicContact CB-CB 4.18Å; V58-I63 HydrophobicContact CB-CG1 4.48Å; V58-I63 HydrophobicContact CG2-CD1 4.16Å; V58-I63 HydrophobicContact CG2-CG1 4.13Å; V58-I75 HydrophobicContact CG1-CD1 4.03Å; V58-F77 HydrophobicContact CB-CB 4.03Å; V58-F77 HydrophobicContact CG1-CB 3.53Å; V58-F77 HydrophobicContact CG2-CB 3.32Å; V58-F77 HydrophobicContact CG2-CD1 3.94Å; V58-F77 HydrophobicContact CG2-CD2 3.79Å; V58-F77 HydrophobicContact CG2-CG 3.42Å; V58-F77 VanDerWaalsContact CG2-CG 3.42Å
59	S	86.6	Confident	78.3	Confident	17 Å²	17	77.2 Å²	77.2	12%	0.119	42%	0.417	C	S	.	.			trans	-97.3	171.3	167.9	81.5	0	0	0	0	111.8	E61 D62 I63	S59-E61 WeakPolarHBondContact CB-OE2 3.26Å; S59-E61 PolarHBondContact O-N 3.18Å; S59-E61 PolarHBondContact OG-N 3.23Å; S59-E61 PolarHBondContact OG-OE2 3.29Å; S59-D62 PolarHBondContact N-OD2 2.95Å; S59-D62 PolarHBondContact O-N 2.87Å; S59-D62 PolarHBondContact OG-N 2.99Å; S59-D62 PolarHBondContact OG-OD2 3.01Å; S59-I63 WeakPolarHBondContact O-CG1 3.07Å; S59-I63 PolarHBondContact O-N 3.02Å; S59-I63 VanDerWaalsContact O-N 3.13Å
60	S	87.6	Confident	79.2	Confident	3 Å²	3	76 Å²	76	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-54.2	-38.7	169.7	178.7	0	0	0	0	112.4	G35 W36 F48 I63 E64	G35-S60 VanDerWaalsContact CA-OG 3.28Å; G35-S60 WeakPolarHBondContact CA-OG 3.07Å; W36-S60 PolarHBondContact N-OG 3.1Å; F48-S60 WeakPolarHBondContact O-CB 3.4Å; F48-S60 PolarHBondContact O-N 2.79Å; S60-I63 PolarHBondContact O-N 3.12Å; S60-E64 WeakPolarHBondContact O-CB 3.07Å; S60-E64 PolarHBondContact O-N 2.93Å
61	E	88	Confident	80.9	Confident	101 Å²	101	74.5 Å²	74.5	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-38.3	178	-61.5	74.8	-160.7	0	0	112.2	S59 E64 K65	S59-E61 WeakPolarHBondContact CB-OE2 3.26Å; S59-E61 PolarHBondContact O-N 3.18Å; S59-E61 PolarHBondContact OG-N 3.23Å; S59-E61 PolarHBondContact OG-OE2 3.29Å; E61-E64 PolarHBondContact O-N 3.15Å; E61-K65 WeakPolarHBondContact O-CB 3.2Å; E61-K65 PolarHBondContact O-N 2.92Å
62	D	90	Very high	82.8	Confident	76 Å²	76	74 Å²	74	41%	0.406	41%	0.407	S	S	.	.	H	α-helix	trans	-65.7	-42.2	176.4	-65.2	-41.7	0	0	0	111.5	V58 S59 E64 K65 S66	V58-D62 HydrophobicContact CB-CB 4.18Å; S59-D62 PolarHBondContact N-OD2 2.95Å; S59-D62 PolarHBondContact O-N 2.87Å; S59-D62 PolarHBondContact OG-N 2.99Å; S59-D62 PolarHBondContact OG-OD2 3.01Å; D62-E64 VanDerWaalsContact C-N 3.34Å; D62-K65 PolarHBondContact O-N 2.84Å; D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 2.87Å
63	I	92.4	Very high	84.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-44.9	176	-61.4	167.5	0	0	0	109.5	W36 F48 V58 S59 S60 K65 S66 F67 I75 I86 F88	W36-I63 HydrophobicContact CB-CB 4.36Å; W36-I63 HydrophobicContact CB-CD1 4.28Å; W36-I63 HydrophobicContact CB-CG2 4.15Å; W36-I63 HydrophobicContact CD2-CB 4.3Å; W36-I63 HydrophobicContact CD2-CG2 3.38Å; W36-I63 HydrophobicContact CE3-CG2 3.77Å; W36-I63 HydrophobicContact CG-CB 3.95Å; W36-I63 HydrophobicContact CG-CG2 3.54Å; W36-I63 HydrophobicContact CZ2-CG2 4.3Å; W36-I63 HydrophobicContact CZ3-CG2 4.37Å; F48-I63 HydrophobicContact CB-CD1 3.73Å; F48-I63 HydrophobicContact CD1-CD1 3.84Å; F48-I63 HydrophobicContact CD2-CD1 3.62Å; F48-I63 HydrophobicContact CE1-CD1 4.34Å; F48-I63 HydrophobicContact CE2-CD1 4.15Å; F48-I63 HydrophobicContact CG-CD1 3.45Å; F48-I63 VanDerWaalsContact CG-CD1 3.45Å; F48-I63 HydrophobicContact CZ-CD1 4.48Å; V58-I63 HydrophobicContact CB-CG1 4.48Å; V58-I63 HydrophobicContact CG2-CD1 4.16Å; V58-I63 HydrophobicContact CG2-CG1 4.13Å; S59-I63 WeakPolarHBondContact O-CG1 3.07Å; S59-I63 PolarHBondContact O-N 3.02Å; S59-I63 VanDerWaalsContact O-N 3.13Å; S60-I63 PolarHBondContact O-N 3.12Å; I63-K65 PolarHBondContact O-N 3.34Å; I63-S66 PolarHBondContact O-N 3.01Å; I63-F67 WeakPolarHBondContact O-CB 3.42Å; I63-F67 PolarHBondContact O-N 3.23Å; I63-I75 HydrophobicContact CG1-CG2 4.45Å; I63-I75 HydrophobicContact CG2-CG2 4.46Å; I63-I86 HydrophobicContact CD1-CD1 3.7Å; I63-I86 HydrophobicContact CG1-CD1 4.15Å; I63-I86 HydrophobicContact CG2-CD1 4.3Å; I63-F88 HydrophobicContact CG2-CE1 3.67Å; I63-F88 HydrophobicContact CG2-CZ 4.08Å
64	E	92.7	Very high	86.8	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.065	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-44.5	177	178.1	58.1	-163.3	0	0	112.4	W34 W36 S60 E61 D62 S66 F67 K68 R106	W34-E64 HydrophobicContact CB-CG 4.15Å; W36-E64 VanDerWaalsContact NE1-CA 3.29Å; W36-E64 PolarHBondContact NE1-OE2 3.22Å; S60-E64 WeakPolarHBondContact O-CB 3.07Å; S60-E64 PolarHBondContact O-N 2.93Å; E61-E64 PolarHBondContact O-N 3.15Å; D62-E64 VanDerWaalsContact C-N 3.34Å; E64-S66 VanDerWaalsContact C-N 3.32Å; E64-S66 PolarHBondContact O-N 3.19Å; E64-F67 PolarHBondContact O-N 3.19Å; E64-K68 WeakPolarHBondContact O-CG 3.36Å; E64-K68 PolarHBondContact O-N 3.21Å; E64-K68 WeakPolarHBondContact OE1-CE 3.37Å; E64-R106 IonicContact OE1-CZ 3.72Å; E64-R106 IonicContact OE1-NE 2.82Å; E64-R106 PolarHBondContact OE1-NE 3.47Å; E64-R106 IonicContact OE1-NH2 2.57Å; E64-R106 PolarHBondContact OE1-NH2 3.18Å; E64-R106 IonicContact OE2-CZ 3.26Å; E64-R106 IonicContact OE2-NE 2.67Å; E64-R106 PolarHBondContact OE2-NE 3.42Å; E64-R106 IonicContact OE2-NH2 3.97Å
65	K	91.8	Very high	88.7	Confident	154 Å²	154	60.8 Å²	60.8	67%	0.67	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-41.8	176.9	-174.2	178.7	-179.6	179.8	0	111.7	E61 D62 I63 T69	E61-K65 WeakPolarHBondContact O-CB 3.2Å; E61-K65 PolarHBondContact O-N 2.92Å; D62-K65 PolarHBondContact O-N 2.84Å; I63-K65 PolarHBondContact O-N 3.34Å; K65-T69 PolarHBondContact O-N 2.93Å; K65-T69 PolarHBondContact O-OG1 2.89Å
66	S	93.4	Very high	90.3	Very high	35 Å²	35	56.6 Å²	56.6	25%	0.245	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-42.9	177.3	-174.4	0	0	0	0	111.8	D62 I63 E64 T69 N70	D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 2.87Å; I63-S66 PolarHBondContact O-N 3.01Å; E64-S66 VanDerWaalsContact C-N 3.32Å; E64-S66 PolarHBondContact O-N 3.19Å; S66-T69 WeakPolarHBondContact O-CB 3.41Å; S66-T69 PolarHBondContact O-N 3.17Å; S66-N70 PolarHBondContact O-N 2.84Å
67	F	92.7	Very high	90.9	Very high	35 Å²	35	55.5 Å²	55.5	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-46.9	175.8	178.4	-102.7	0	0	0	112.3	W36 I63 E64 T69 N70 P71 F88	W36-F67 HydrophobicContact CH2-CB 4.03Å; W36-F67 HydrophobicContact CH2-CD1 4.35Å; W36-F67 AromaticContact CH2-CD2 3.56Å; W36-F67 HydrophobicContact CH2-CD2 3.56Å; W36-F67 HydrophobicContact CH2-CE2 4.05Å; W36-F67 AromaticContact CH2-CG 3.72Å; W36-F67 HydrophobicContact CH2-CG 3.72Å; W36-F67 HydrophobicContact CZ2-CB 3.43Å; W36-F67 VanDerWaalsContact CZ2-CB 3.43Å; W36-F67 AromaticContact CZ2-CD1 3.8Å; W36-F67 HydrophobicContact CZ2-CD1 3.8Å; W36-F67 AromaticContact CZ2-CD2 3.76Å; W36-F67 HydrophobicContact CZ2-CD2 3.76Å; W36-F67 HydrophobicContact CZ2-CE1 4.48Å; W36-F67 HydrophobicContact CZ2-CE2 4.44Å; W36-F67 AromaticContact CZ2-CG 3.38Å; W36-F67 HydrophobicContact CZ2-CG 3.38Å; I63-F67 WeakPolarHBondContact O-CB 3.42Å; I63-F67 PolarHBondContact O-N 3.23Å; E64-F67 PolarHBondContact O-N 3.19Å; F67-T69 PolarHBondContact O-N 3.2Å; F67-N70 CarbonylContact O-C 3.52Å; F67-N70 PolarHBondContact O-N 3.38Å; F67-N70 VanDerWaalsContact O-N 3.17Å; F67-P71 HydrophobicContact CD2-CB 4.29Å; F67-P71 HydrophobicContact CE2-CB 3.81Å; F67-P71 HydrophobicContact CZ-CB 3.98Å; F67-P71 WeakPolarHBondContact O-CA 3.14Å; F67-P71 VanDerWaalsContact O-CD 3.25Å; F67-P71 WeakPolarHBondContact O-CD 3.39Å; F67-P71 WeakPolarHBondContact O-CG 3.35Å; F67-F88 HydrophobicContact CB-CD1 4.32Å; F67-F88 HydrophobicContact CB-CD2 4.48Å; F67-F88 HydrophobicContact CB-CE1 4.04Å; F67-F88 HydrophobicContact CB-CE2 4.24Å; F67-F88 HydrophobicContact CB-CZ 4.01Å; F67-F88 HydrophobicContact CD2-CB 3.84Å; F67-F88 AromaticContact CD2-CD1 3.79Å; F67-F88 HydrophobicContact CD2-CD1 3.79Å; F67-F88 HydrophobicContact CD2-CD2 4.22Å; F67-F88 HydrophobicContact CD2-CE1 4.36Å; F67-F88 AromaticContact CD2-CG 3.71Å; F67-F88 HydrophobicContact CD2-CG 3.71Å; F67-F88 HydrophobicContact CE2-CB 4.18Å
68	K	91.3	Very high	91	Very high	133 Å²	133	55.7 Å²	55.7	58%	0.578	31%	0.312	S	S	*	.	H	α-helix	trans	-57.5	-32.8	175.7	-75	-173.5	-178.1	-172.3	0	112.5	E64	E64-K68 WeakPolarHBondContact O-CG 3.36Å; E64-K68 PolarHBondContact O-N 3.21Å; E64-K68 WeakPolarHBondContact OE1-CE 3.37Å
69	T	94	Very high	90.9	Very high	117 Å²	117	57.1 Å²	57.1	72%	0.718	32%	0.321	S	S	*	.	H	α-helix	trans	-75.1	-42	178.8	-53.3	0	0	0	0	111.6	K65 S66 F67	K65-T69 PolarHBondContact O-N 2.93Å; K65-T69 PolarHBondContact O-OG1 2.89Å; S66-T69 WeakPolarHBondContact O-CB 3.41Å; S66-T69 PolarHBondContact O-N 3.17Å; F67-T69 PolarHBondContact O-N 3.2Å
70	N	91.8	Very high	90.3	Very high	83 Å²	83	60.6 Å²	60.6	44%	0.444	35%	0.345	S	S	.	.			trans	-149	94.6	178.6	-175.8	1.2	0	0	0	111.1	S66 F67 C72 G73 F88	S66-N70 PolarHBondContact O-N 2.84Å; F67-N70 CarbonylContact O-C 3.52Å; F67-N70 PolarHBondContact O-N 3.38Å; F67-N70 VanDerWaalsContact O-N 3.17Å; N70-C72 PolarHBondContact O-N 2.88Å; N70-C72 PolarHBondContact OD1-N 2.82Å; N70-C72 VanDerWaalsContact OD1-N 3.15Å; N70-G73 WeakPolarHBondContact ND2-CA 3.44Å; N70-G73 WeakPolarHBondContact O-CA 3.49Å; N70-G73 PolarHBondContact O-N 3.42Å; N70-G73 PolarHBondContact OD1-N 3.13Å; N70-G73 VanDerWaalsContact OD1-N 3.12Å; N70-F88 WeakPolarHBondContact O-CD2 3.41Å
71	P	90	Very high	89.8	Confident	64 Å²	64	68.5 Å²	68.5	42%	0.416	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.9	179.9	-24.4	34.4	0	0	0	114.5	F67 F88	F67-P71 HydrophobicContact CD2-CB 4.29Å; F67-P71 HydrophobicContact CE2-CB 3.81Å; F67-P71 HydrophobicContact CZ-CB 3.98Å; F67-P71 WeakPolarHBondContact O-CA 3.14Å; F67-P71 VanDerWaalsContact O-CD 3.25Å; F67-P71 WeakPolarHBondContact O-CD 3.39Å; F67-P71 WeakPolarHBondContact O-CG 3.35Å; P71-F88 WeakPolarHBondContact O-CB 3.37Å
72	C	88.9	Confident	89.6	Confident	80 Å²	80	67.1 Å²	67.1	54%	0.541	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	6.8	174.7	-61.6	0	0	0	0	112.1	N70	N70-C72 PolarHBondContact O-N 2.88Å; N70-C72 PolarHBondContact OD1-N 2.82Å; N70-C72 VanDerWaalsContact OD1-N 3.15Å
73	G	91.7	Very high	89.5	Confident	11 Å²	11	65.8 Å²	65.8	11%	0.113	37%	0.368	C	S	.	.			trans	-87.8	-162.5	-175.6	0	0	0	0	0	113	N70 F88	N70-G73 WeakPolarHBondContact ND2-CA 3.44Å; N70-G73 WeakPolarHBondContact O-CA 3.49Å; N70-G73 PolarHBondContact O-N 3.42Å; N70-G73 PolarHBondContact OD1-N 3.13Å; N70-G73 VanDerWaalsContact OD1-N 3.12Å; G73-F88 WeakPolarHBondContact O-CB 3.47Å; G73-F88 WeakPolarHBondContact O-CD2 3.49Å; G73-F88 PolarHBondContact O-N 2.74Å
74	S	95.3	Very high	89.6	Confident	55 Å²	55	67.7 Å²	67.7	39%	0.385	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.5	175.5	63.1	0	0	0	0	110.4	K85 I86	S74-K85 WeakPolarHBondContact OG-CE 3.44Å; S74-I86 CarbonylContact C-O 3.58Å; S74-I86 WeakPolarHBondContact CA-O 3.35Å; S74-I86 WeakPolarHBondContact CB-O 3.36Å
75	I	95.5	Very high	89.7	Confident	24 Å²	24	70.4 Å²	70.4	12%	0.123	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.5	171.2	-172.7	172.9	0	0	0	109.3	V58 I63 I86 F88	V58-I75 HydrophobicContact CG1-CD1 4.03Å; I63-I75 HydrophobicContact CG1-CG2 4.45Å; I63-I75 HydrophobicContact CG2-CG2 4.46Å; I75-I86 HydrophobicContact CG2-CB 3.73Å; I75-I86 HydrophobicContact CG2-CD1 4.18Å; I75-I86 HydrophobicContact CG2-CG2 4.04Å; I75-I86 PolarHBondContact N-O 3.01Å; I75-I86 PolarHBondContact O-N 2.82Å; I75-F88 HydrophobicContact CB-CE2 4.41Å; I75-F88 HydrophobicContact CB-CZ 4.08Å; I75-F88 HydrophobicContact CG2-CE1 4.09Å; I75-F88 HydrophobicContact CG2-CE2 4.27Å; I75-F88 HydrophobicContact CG2-CZ 3.52Å
76	S	94.8	Very high	89.9	Confident	77 Å²	77	63.1 Å²	63.1	54%	0.538	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.5	173.9	-59.9	0	0	0	0	109.7	Y84	S76-Y84 CarbonylContact C-O 3.54Å; S76-Y84 VanDerWaalsContact CA-O 3.29Å; S76-Y84 WeakPolarHBondContact CA-O 3.3Å
77	F	90.9	Very high	89.9	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.039	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163	179.7	72.6	-86.3	0	0	0	111.3	F48 S57 V58 T79 Y84 I86 Q93	F48-F77 HydrophobicContact CD1-CZ 4.39Å; F48-F77 HydrophobicContact CE1-CE1 4.19Å; F48-F77 HydrophobicContact CE1-CE2 4.39Å; F48-F77 AromaticContact CE1-CZ 3.69Å; F48-F77 HydrophobicContact CE1-CZ 3.69Å; S57-F77 WeakPolarHBondContact OG-CA 3.49Å; S57-F77 WeakPolarHBondContact OG-CB 3.31Å; V58-F77 HydrophobicContact CB-CB 4.03Å; V58-F77 HydrophobicContact CG1-CB 3.53Å; V58-F77 HydrophobicContact CG2-CB 3.32Å; V58-F77 HydrophobicContact CG2-CD1 3.94Å; V58-F77 HydrophobicContact CG2-CD2 3.79Å; V58-F77 HydrophobicContact CG2-CG 3.42Å; V58-F77 VanDerWaalsContact CG2-CG 3.42Å; F77-T79 HydrophobicContact CE2-CG2 4.29Å; F77-Y84 HydrophobicContact CD2-CD2 4.21Å; F77-Y84 VanDerWaalsContact CE1-CB 3.42Å; F77-Y84 HydrophobicContact CE1-CG 4.24Å; F77-Y84 AromaticContact CE2-CD2 3.59Å; F77-Y84 HydrophobicContact CE2-CD2 3.59Å; F77-Y84 HydrophobicContact CE2-CE2 4.41Å; F77-Y84 HydrophobicContact CE2-CG 4.02Å; F77-Y84 VanDerWaalsContact CZ-CB 3.44Å; F77-Y84 AromaticContact CZ-CD2 3.82Å; F77-Y84 HydrophobicContact CZ-CD2 3.82Å; F77-Y84 AromaticContact CZ-CG 3.75Å; F77-Y84 HydrophobicContact CZ-CG 3.75Å; F77-Y84 PolarHBondContact N-O 2.89Å; F77-Y84 PolarHBondContact O-N 2.94Å; F77-I86 HydrophobicContact CD1-CD1 4.1Å; F77-I86 HydrophobicContact CD1-CG1 4.47Å; F77-I86 HydrophobicContact CE1-CD1 3.62Å; F77-I86 HydrophobicContact CE1-CG1 3.87Å; F77-Q93 HydrophobicContact CE1-CG 4.42Å; F77-Q93 HydrophobicContact CZ-CG 4.44Å
78	T	85.4	Confident	90	Very high	69 Å²	69	62.2 Å²	62.2	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.9	-179.5	54.4	0	0	0	0	110.9	S57	S57-T78 PolarHBondContact N-O 2.99Å; S57-T78 PolarHBondContact OG-N 3.25Å; S57-T78 PolarHBondContact OG-O 3.45Å
79	T	83.3	Confident	89.9	Confident	43 Å²	43	58 Å²	58	26%	0.264	34%	0.339	S	S	.	.			trans	-108.3	175.6	163.5	60	0	0	0	0	108.7	Q55 F77 K81 F82 Y84	Q55-T79 CarbonylContact O-C 3.59Å; Q55-T79 VanDerWaalsContact O-CA 3.29Å; Q55-T79 WeakPolarHBondContact O-CA 3.31Å; F77-T79 HydrophobicContact CE2-CG2 4.29Å; T79-K81 PolarHBondContact O-N 3.4Å; T79-F82 PolarHBondContact N-O 3.37Å; T79-F82 PolarHBondContact OG1-N 2.89Å; T79-F82 VanDerWaalsContact OG1-N 3.11Å; T79-F82 PolarHBondContact OG1-O 2.94Å; T79-Y84 HydrophobicContact CG2-CD2 4.12Å; T79-Y84 HydrophobicContact CG2-CE2 3.66Å
80	S	75.8	Confident	89.7	Confident	90 Å²	90	56.3 Å²	56.3	63%	0.629	32%	0.323	S	S	*	.	S	Bend	trans	-55.1	-20.6	174.1	56.8	0	0	0	0	114.9	Q55	Q55-S80 PolarHBondContact O-N 3.47Å
81	K	75.3	Confident	89.8	Confident	168 Å²	168	55 Å²	55	73%	0.73	32%	0.315	S	S	*	.	S	Bend	trans	-119.4	-26.9	-175.4	-65.5	-177.1	-179.1	177.7	0	115.2	T79	T79-K81 PolarHBondContact O-N 3.4Å
82	F	83.8	Confident	90	Very high	73 Å²	73	54.7 Å²	54.7	32%	0.32	31%	0.307	S	S	.	.			trans	-145.4	151.7	-168.5	-60.2	-68.8	0	0	0	112.4	T79 Y84 N95 T97 T98	T79-F82 PolarHBondContact N-O 3.37Å; T79-F82 PolarHBondContact OG1-N 2.89Å; T79-F82 VanDerWaalsContact OG1-N 3.11Å; T79-F82 PolarHBondContact OG1-O 2.94Å; F82-Y84 HydrophobicContact CB-CD2 4.39Å; F82-Y84 HydrophobicContact CB-CE2 3.62Å; F82-Y84 WeakPolarHBondContact CD2-OH 3.44Å; F82-N95 WeakPolarHBondContact CB-ND2 3.5Å; F82-N95 VanDerWaalsContact CG-ND2 3.33Å; F82-N95 WeakPolarHBondContact CG-ND2 3.25Å; F82-T97 HydrophobicContact CD1-CG2 4.42Å; F82-T98 HydrophobicContact CE1-CG2 4.31Å
83	S	89.7	Confident	90.2	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.1	168.6	-51.9	0	0	0	0	110.4	L96	S83-L96 PolarHBondContact O-N 3.23Å
84	Y	92.8	Very high	90.3	Very high	39 Å²	39	54.5 Å²	54.5	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.3	-177.2	-62.4	-83.5	0	0	0	111.3	S76 F77 T79 F82 Q93 M94 N95	S76-Y84 CarbonylContact C-O 3.54Å; S76-Y84 VanDerWaalsContact CA-O 3.29Å; S76-Y84 WeakPolarHBondContact CA-O 3.3Å; F77-Y84 HydrophobicContact CD2-CD2 4.21Å; F77-Y84 VanDerWaalsContact CE1-CB 3.42Å; F77-Y84 HydrophobicContact CE1-CG 4.24Å; F77-Y84 AromaticContact CE2-CD2 3.59Å; F77-Y84 HydrophobicContact CE2-CD2 3.59Å; F77-Y84 HydrophobicContact CE2-CE2 4.41Å; F77-Y84 HydrophobicContact CE2-CG 4.02Å; F77-Y84 VanDerWaalsContact CZ-CB 3.44Å; F77-Y84 AromaticContact CZ-CD2 3.82Å; F77-Y84 HydrophobicContact CZ-CD2 3.82Å; F77-Y84 AromaticContact CZ-CG 3.75Å; F77-Y84 HydrophobicContact CZ-CG 3.75Å; F77-Y84 PolarHBondContact N-O 2.89Å; F77-Y84 PolarHBondContact O-N 2.94Å; T79-Y84 HydrophobicContact CG2-CD2 4.12Å; T79-Y84 HydrophobicContact CG2-CE2 3.66Å; F82-Y84 HydrophobicContact CB-CD2 4.39Å; F82-Y84 HydrophobicContact CB-CE2 3.62Å; F82-Y84 WeakPolarHBondContact CD2-OH 3.44Å; Y84-Q93 HydrophobicContact CD1-CG 3.98Å; Y84-Q93 VanDerWaalsContact CE1-NE2 3.26Å; Y84-Q93 HydrophobicContact CG-CG 4.42Å; Y84-M94 CarbonylContact C-O 3.59Å; Y84-M94 WeakPolarHBondContact CA-O 3.47Å; Y84-N95 HydrophobicContact CD1-CB 3.81Å; Y84-N95 HydrophobicContact CE1-CB 3.58Å; Y84-N95 VanDerWaalsContact CE1-ND2 3.32Å; Y84-N95 WeakPolarHBondContact CE1-ND2 3.38Å; Y84-N95 PolarHBondContact OH-ND2 3.13Å
85	K	95.2	Very high	90	Very high	72 Å²	72	52.4 Å²	52.4	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.9	167.9	-177.1	-176.7	179.6	-168.4	0	108.9	S74 Q93 M94 L96	S74-K85 WeakPolarHBondContact OG-CE 3.44Å; K85-Q93 CarbonylContact O-C 3.52Å; K85-Q93 WeakPolarHBondContact O-CA 3.28Å; K85-M94 PolarHBondContact N-O 2.8Å; K85-M94 PolarHBondContact O-N 3.42Å; K85-L96 HydrophobicContact CB-CD1 4.44Å; K85-L96 HydrophobicContact CB-CD2 3.95Å; K85-L96 HydrophobicContact CB-CG 4.37Å
86	I	95.9	Very high	89.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	165.5	-77.1	161.6	0	0	0	107.5	F48 I63 S74 I75 F77 F88 Q93 I104	F48-I86 HydrophobicContact CE1-CD1 4.16Å; F48-I86 HydrophobicContact CE2-CD1 4.24Å; F48-I86 HydrophobicContact CZ-CD1 3.81Å; I63-I86 HydrophobicContact CD1-CD1 3.7Å; I63-I86 HydrophobicContact CG1-CD1 4.15Å; I63-I86 HydrophobicContact CG2-CD1 4.3Å; S74-I86 CarbonylContact C-O 3.58Å; S74-I86 WeakPolarHBondContact CA-O 3.35Å; S74-I86 WeakPolarHBondContact CB-O 3.36Å; I75-I86 HydrophobicContact CG2-CB 3.73Å; I75-I86 HydrophobicContact CG2-CD1 4.18Å; I75-I86 HydrophobicContact CG2-CG2 4.04Å; I75-I86 PolarHBondContact N-O 3.01Å; I75-I86 PolarHBondContact O-N 2.82Å; F77-I86 HydrophobicContact CD1-CD1 4.1Å; F77-I86 HydrophobicContact CD1-CG1 4.47Å; F77-I86 HydrophobicContact CE1-CD1 3.62Å; F77-I86 HydrophobicContact CE1-CG1 3.87Å; I86-F88 HydrophobicContact CG2-CD1 3.53Å; I86-F88 HydrophobicContact CG2-CE1 3.39Å; I86-F88 HydrophobicContact CG2-CG 4.43Å; I86-F88 HydrophobicContact CG2-CZ 4.2Å; I86-Q93 HydrophobicContact CG1-CB 4.2Å; I86-Q93 HydrophobicContact CG1-CG 4.38Å; I86-I104 HydrophobicContact CB-CD1 4.3Å; I86-I104 HydrophobicContact CG1-CD1 4.18Å; I86-I104 HydrophobicContact CG2-CD1 3.33Å
87	D	94.8	Very high	89.3	Confident	47 Å²	47	56.5 Å²	56.5	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.9	171.2	-167.4	-57.2	0	0	0	108.3	A89 E90 M91 K92	D87-A89 WeakPolarHBondContact OD1-CB 3.33Å; D87-A89 PolarHBondContact OD1-N 2.84Å; D87-A89 VanDerWaalsContact OD1-N 3.1Å; D87-E90 HydrophobicContact CB-CB 4.09Å; D87-E90 PolarHBondContact OD1-N 2.86Å; D87-M91 WeakPolarHBondContact O-CA 3.39Å; D87-M91 PolarHBondContact O-N 2.9Å; D87-K92 PolarHBondContact N-O 2.69Å; D87-K92 PolarHBondContact O-N 3.3Å
88	F	93.8	Very high	89.1	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.022	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.6	-175.4	-61.9	-49.7	0	0	0	112.3	W36 I63 F67 N70 P71 G73 I75 I86	W36-F88 AromaticContact CH2-CD1 3.76Å; W36-F88 HydrophobicContact CH2-CD1 3.76Å; W36-F88 AromaticContact CH2-CE1 3.92Å; W36-F88 HydrophobicContact CH2-CE1 3.92Å; W36-F88 HydrophobicContact CZ2-CE1 4.33Å; W36-F88 HydrophobicContact CZ3-CD1 4.05Å; W36-F88 HydrophobicContact CZ3-CE1 4.16Å; I63-F88 HydrophobicContact CG2-CE1 3.67Å; I63-F88 HydrophobicContact CG2-CZ 4.08Å; F67-F88 HydrophobicContact CB-CD1 4.32Å; F67-F88 HydrophobicContact CB-CD2 4.48Å; F67-F88 HydrophobicContact CB-CE1 4.04Å; F67-F88 HydrophobicContact CB-CE2 4.24Å; F67-F88 HydrophobicContact CB-CZ 4.01Å; F67-F88 HydrophobicContact CD2-CB 3.84Å; F67-F88 AromaticContact CD2-CD1 3.79Å; F67-F88 HydrophobicContact CD2-CD1 3.79Å; F67-F88 HydrophobicContact CD2-CD2 4.22Å; F67-F88 HydrophobicContact CD2-CE1 4.36Å; F67-F88 AromaticContact CD2-CG 3.71Å; F67-F88 HydrophobicContact CD2-CG 3.71Å; F67-F88 HydrophobicContact CE2-CB 4.18Å; N70-F88 WeakPolarHBondContact O-CD2 3.41Å; P71-F88 WeakPolarHBondContact O-CB 3.37Å; G73-F88 WeakPolarHBondContact O-CB 3.47Å; G73-F88 WeakPolarHBondContact O-CD2 3.49Å; G73-F88 PolarHBondContact O-N 2.74Å; I75-F88 HydrophobicContact CB-CE2 4.41Å; I75-F88 HydrophobicContact CB-CZ 4.08Å; I75-F88 HydrophobicContact CG2-CE1 4.09Å; I75-F88 HydrophobicContact CG2-CE2 4.27Å; I75-F88 HydrophobicContact CG2-CZ 3.52Å; I86-F88 HydrophobicContact CG2-CD1 3.53Å; I86-F88 HydrophobicContact CG2-CE1 3.39Å; I86-F88 HydrophobicContact CG2-CG 4.43Å; I86-F88 HydrophobicContact CG2-CZ 4.2Å
89	A	89.7	Confident	89.2	Confident	44 Å²	44	58.7 Å²	58.7	36%	0.364	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.5	177.2	0	0	0	0	0	111	D87	D87-A89 WeakPolarHBondContact OD1-CB 3.33Å; D87-A89 PolarHBondContact OD1-N 2.84Å; D87-A89 VanDerWaalsContact OD1-N 3.1Å
90	E	89.9	Confident	89.4	Confident	82 Å²	82	62.8 Å²	62.8	38%	0.383	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-13	179.2	-71.3	-65.6	127.4	0	0	114	D87 K92 H148	D87-E90 HydrophobicContact CB-CB 4.09Å; D87-E90 PolarHBondContact OD1-N 2.86Å; E90-K92 HydrophobicContact CB-CB 4.24Å; E90-K92 HydrophobicContact CB-CD 4.17Å; E90-K92 HydrophobicContact CB-CG 4.38Å; E90-K92 WeakPolarHBondContact O-CG 3.35Å; E90-K92 PolarHBondContact O-N 2.8Å; E90-K92 IonicContact OE2-NZ 3.77Å; E90-K92 PolarHBondContact OE2-NZ 3.45Å; E90-H148 IonicContact OE1-CD2 3.75Å
91	M	92.5	Very high	90.2	Very high	55 Å²	55	63.9 Å²	63.9	27%	0.271	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	44.9	-170.3	-67.2	-64.6	-75.1	0	0	112.3	W36 D87 I104	W36-M91 HydrophobicContact CH2-CE 4.46Å; W36-M91 HydrophobicContact CH2-SD 4.39Å; W36-M91 HydrophobicContact CZ3-CE 3.99Å; W36-M91 HydrophobicContact CZ3-SD 4.17Å; D87-M91 WeakPolarHBondContact O-CA 3.39Å; D87-M91 PolarHBondContact O-N 2.9Å; M91-I104 HydrophobicContact CB-CG1 4.4Å; M91-I104 VanDerWaalsContact O-CG1 3.31Å; M91-I104 WeakPolarHBondContact O-CG1 3.46Å; M91-I104 PolarHBondContact O-N 3.09Å
92	K	94.6	Very high	90.8	Very high	58 Å²	58	59.9 Å²	59.9	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.9	-179	-73.5	167.7	-159.4	153.7	0	111.7	D87 E90 R102 L103	D87-K92 PolarHBondContact N-O 2.69Å; D87-K92 PolarHBondContact O-N 3.3Å; E90-K92 HydrophobicContact CB-CB 4.24Å; E90-K92 HydrophobicContact CB-CD 4.17Å; E90-K92 HydrophobicContact CB-CG 4.38Å; E90-K92 WeakPolarHBondContact O-CG 3.35Å; E90-K92 PolarHBondContact O-N 2.8Å; E90-K92 IonicContact OE2-NZ 3.77Å; E90-K92 PolarHBondContact OE2-NZ 3.45Å; K92-R102 WeakPolarHBondContact CA-O 3.27Å; K92-L103 HydrophobicContact CG-CD2 4.15Å
93	Q	93.1	Very high	91	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.9	163.3	176.8	-172	-23.9	0	0	109.1	F77 Y84 K85 I86 Q101 R102 I104	F77-Q93 HydrophobicContact CE1-CG 4.42Å; F77-Q93 HydrophobicContact CZ-CG 4.44Å; Y84-Q93 HydrophobicContact CD1-CG 3.98Å; Y84-Q93 VanDerWaalsContact CE1-NE2 3.26Å; Y84-Q93 HydrophobicContact CG-CG 4.42Å; K85-Q93 CarbonylContact O-C 3.52Å; K85-Q93 WeakPolarHBondContact O-CA 3.28Å; I86-Q93 HydrophobicContact CG1-CB 4.2Å; I86-Q93 HydrophobicContact CG1-CG 4.38Å; Q93-Q101 CarbonylContact O-C 3.49Å; Q93-Q101 VanDerWaalsContact O-CA 3.26Å; Q93-Q101 WeakPolarHBondContact O-CA 3.44Å; Q93-R102 PolarHBondContact N-O 2.91Å; Q93-R102 PolarHBondContact O-N 2.77Å; Q93-I104 HydrophobicContact CB-CG2 3.75Å
94	M	93.9	Very high	91.1	Very high	69 Å²	69	58.5 Å²	58.5	34%	0.34	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131	173.4	-177.9	-173.6	-71.5	0	0	109.9	Y84 K85 L96 Q101	Y84-M94 CarbonylContact C-O 3.59Å; Y84-M94 WeakPolarHBondContact CA-O 3.47Å; K85-M94 PolarHBondContact N-O 2.8Å; K85-M94 PolarHBondContact O-N 3.42Å; M94-L96 HydrophobicContact SD-CD2 4.3Å; M94-Q101 HydrophobicContact CB-CG 4.32Å; M94-Q101 HydrophobicContact CE-CG 4.27Å; M94-Q101 HydrophobicContact CG-CG 4.28Å
95	N	90.6	Very high	90.7	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.4	166	-176.9	-60.9	0	0	0	108.8	F82 Y84 T97 T98 G99 K100	F82-N95 WeakPolarHBondContact CB-ND2 3.5Å; F82-N95 VanDerWaalsContact CG-ND2 3.33Å; F82-N95 WeakPolarHBondContact CG-ND2 3.25Å; Y84-N95 HydrophobicContact CD1-CB 3.81Å; Y84-N95 HydrophobicContact CE1-CB 3.58Å; Y84-N95 VanDerWaalsContact CE1-ND2 3.32Å; Y84-N95 WeakPolarHBondContact CE1-ND2 3.38Å; Y84-N95 PolarHBondContact OH-ND2 3.13Å; N95-T97 VanDerWaalsContact C-N 3.26Å; N95-T97 PolarHBondContact O-N 3.49Å; N95-T97 WeakPolarHBondContact OD1-CA 3.46Å; N95-T97 WeakPolarHBondContact OD1-CB 3.11Å; N95-T97 PolarHBondContact OD1-N 3.12Å; N95-T98 WeakPolarHBondContact CB-OG1 3.41Å; N95-T98 PolarHBondContact OD1-N 3.45Å; N95-T98 PolarHBondContact OD1-OG1 3.42Å; N95-G99 VanDerWaalsContact O-CA 3.26Å; N95-G99 WeakPolarHBondContact O-CA 3.35Å; N95-G99 PolarHBondContact O-N 2.88Å; N95-K100 PolarHBondContact N-O 3.15Å
96	L	89.6	Confident	90.4	Very high	92 Å²	92	57 Å²	57	48%	0.482	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.9	-174.5	-62.1	177.7	0	0	0	113	S83 K85 M94	S83-L96 PolarHBondContact O-N 3.23Å; K85-L96 HydrophobicContact CB-CD1 4.44Å; K85-L96 HydrophobicContact CB-CD2 3.95Å; K85-L96 HydrophobicContact CB-CG 4.37Å; M94-L96 HydrophobicContact SD-CD2 4.3Å
97	T	85.4	Confident	89.5	Confident	96 Å²	96	57.6 Å²	57.6	59%	0.589	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-38.3	178.5	-46.1	0	0	0	0	112.3	F82 N95	F82-T97 HydrophobicContact CD1-CG2 4.42Å; N95-T97 VanDerWaalsContact C-N 3.26Å; N95-T97 PolarHBondContact O-N 3.49Å; N95-T97 WeakPolarHBondContact OD1-CA 3.46Å; N95-T97 WeakPolarHBondContact OD1-CB 3.11Å; N95-T97 PolarHBondContact OD1-N 3.12Å
98	T	86.9	Confident	88.6	Confident	75 Å²	75	57.9 Å²	57.9	46%	0.46	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-11.7	-172.1	62.2	0	0	0	0	114	F82 N95 K100	F82-T98 HydrophobicContact CE1-CG2 4.31Å; N95-T98 WeakPolarHBondContact CB-OG1 3.41Å; N95-T98 PolarHBondContact OD1-N 3.45Å; N95-T98 PolarHBondContact OD1-OG1 3.42Å; T98-K100 PolarHBondContact O-N 3.41Å; T98-K100 PolarHBondContact OG1-N 3.06Å
99	G	87.5	Confident	87	Confident	48 Å²	48	61 Å²	61	50%	0.495	32%	0.321	S	S	.	.			trans	72.2	-4.2	-174.2	0	0	0	0	0	114.8	N95 Q101	N95-G99 VanDerWaalsContact O-CA 3.26Å; N95-G99 WeakPolarHBondContact O-CA 3.35Å; N95-G99 PolarHBondContact O-N 2.88Å; G99-Q101 PolarHBondContact O-N 3.1Å
100	K	87.8	Confident	85.2	Confident	130 Å²	130	60.9 Å²	60.9	57%	0.565	32%	0.317	S	S	*	.			trans	-62.6	134.7	179.5	-74	-172	174.2	-175	0	111	N95 T98	N95-K100 PolarHBondContact N-O 3.15Å; T98-K100 PolarHBondContact O-N 3.41Å; T98-K100 PolarHBondContact OG1-N 3.06Å
101	Q	91.8	Very high	82.9	Confident	112 Å²	112	63.7 Å²	63.7	52%	0.523	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.9	177.4	-66	-177.8	-25.3	0	0	111.4	Q93 M94 G99	Q93-Q101 CarbonylContact O-C 3.49Å; Q93-Q101 VanDerWaalsContact O-CA 3.26Å; Q93-Q101 WeakPolarHBondContact O-CA 3.44Å; M94-Q101 HydrophobicContact CB-CG 4.32Å; M94-Q101 HydrophobicContact CE-CG 4.27Å; M94-Q101 HydrophobicContact CG-CG 4.28Å; G99-Q101 PolarHBondContact O-N 3.1Å
102	R	87.9	Confident	80.5	Confident	85 Å²	85	64.6 Å²	64.6	32%	0.321	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.5	171.6	-62.2	-175.9	-177	168.3	3.8	109.9	L39 E41 K92 Q93	L39-R102 WeakPolarHBondContact O-CD 3.12Å; E41-R102 VanDerWaalsContact CG-NH2 3.28Å; E41-R102 IonicContact OE1-CZ 3.22Å; E41-R102 IonicContact OE1-NH2 3.76Å; E41-R102 PolarHBondContact OE1-NH2 3.09Å; E41-R102 IonicContact OE2-NH2 2.79Å; K92-R102 WeakPolarHBondContact CA-O 3.27Å; Q93-R102 PolarHBondContact N-O 2.91Å; Q93-R102 PolarHBondContact O-N 2.77Å
103	L	86.9	Confident	77.9	Confident	87 Å²	87	63.1 Å²	63.1	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.9	177.6	-62.9	175.5	0	0	0	110.8	Y38 L39 W45 K92	Y38-L103 WeakPolarHBondContact CA-O 2.96Å; L39-L103 HydrophobicContact CB-CB 4.38Å; L39-L103 HydrophobicContact CD2-CD1 4.43Å; L39-L103 PolarHBondContact N-O 3.16Å; W45-L103 HydrophobicContact CH2-CB 3.93Å; W45-L103 WeakPolarHBondContact CZ3-O 3.4Å; K92-L103 HydrophobicContact CG-CD2 4.15Å
104	I	92	Very high	75.1	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.2	169.4	61.4	166.4	0	0	0	110.7	W36 F37 F48 I86 M91 Q93	W36-I104 HydrophobicContact CE3-CD1 4.09Å; W36-I104 HydrophobicContact CZ3-CD1 3.81Å; F37-I104 CarbonylContact O-C 3.57Å; F37-I104 WeakPolarHBondContact O-CA 3.41Å; F37-I104 VanDerWaalsContact O-CB 3.31Å; F37-I104 WeakPolarHBondContact O-CB 3.32Å; F48-I104 HydrophobicContact CE2-CG2 4.1Å; F48-I104 HydrophobicContact CZ-CG2 4.05Å; I86-I104 HydrophobicContact CB-CD1 4.3Å; I86-I104 HydrophobicContact CG1-CD1 4.18Å; I86-I104 HydrophobicContact CG2-CD1 3.33Å; M91-I104 HydrophobicContact CB-CG1 4.4Å; M91-I104 VanDerWaalsContact O-CG1 3.31Å; M91-I104 WeakPolarHBondContact O-CG1 3.46Å; M91-I104 PolarHBondContact O-N 3.09Å; Q93-I104 HydrophobicContact CB-CG2 3.75Å
105	K	85.4	Confident	72.2	Confident	39 Å²	39	70 Å²	70	17%	0.17	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.8	172.3	69.8	176.1	-174.3	179.2	0	111.7	W36 F37 W45 P127	W36-K105 WeakPolarHBondContact CA-O 3.4Å; F37-K105 HydrophobicContact CB-CG 3.85Å; F37-K105 HydrophobicContact CD2-CG 4.14Å; F37-K105 HydrophobicContact CG-CG 4.35Å; F37-K105 PolarHBondContact N-O 3.43Å; F37-K105 PolarHBondContact O-N 2.98Å; W45-K105 HydrophobicContact CD2-CD 3.69Å; W45-K105 HydrophobicContact CD2-CG 4.07Å; W45-K105 HydrophobicContact CE3-CD 3.86Å; W45-K105 HydrophobicContact CE3-CG 3.69Å; W45-K105 HydrophobicContact CG-CD 4.18Å; W45-K105 VanDerWaalsContact CG-CE 3.48Å; W45-K105 HydrophobicContact CH2-CB 4.11Å; W45-K105 HydrophobicContact CH2-CD 4.2Å; W45-K105 HydrophobicContact CH2-CG 4.09Å; W45-K105 HydrophobicContact CZ2-CD 4.05Å; W45-K105 HydrophobicContact CZ2-CG 4.45Å; W45-K105 HydrophobicContact CZ3-CB 4.04Å; W45-K105 HydrophobicContact CZ3-CD 4.11Å; W45-K105 HydrophobicContact CZ3-CG 3.7Å; K105-P127 HydrophobicContact CB-CB 4.06Å
106	R	87.4	Confident	69.5	Low	41 Å²	41	79.5 Å²	79.5	16%	0.155	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.1	172.2	-177.6	-175.1	178.7	-93.6	2	108.2	W34 G35 W36 E64	W34-R106 HydrophobicContact CB-CG 4.45Å; W34-R106 HydrophobicContact CD2-CG 4.46Å; W34-R106 VanDerWaalsContact CE2-CZ 3.49Å; W34-R106 HydrophobicContact CE3-CG 3.85Å; W34-R106 VanDerWaalsContact CG-CZ 3.4Å; W34-R106 VanDerWaalsContact CH2-NH1 3.34Å; W34-R106 VanDerWaalsContact NE1-NH2 3.11Å; G35-R106 CarbonylContact O-C 3.59Å; G35-R106 WeakPolarHBondContact O-CA 3.24Å; W36-R106 HydrophobicContact CD2-CB 4.13Å; W36-R106 HydrophobicContact CD2-CG 4.38Å; W36-R106 HydrophobicContact CE3-CB 4.21Å; W36-R106 HydrophobicContact CH2-CB 4Å; W36-R106 HydrophobicContact CH2-CG 4.46Å; W36-R106 HydrophobicContact CZ2-CB 3.89Å; W36-R106 HydrophobicContact CZ2-CG 3.86Å; W36-R106 HydrophobicContact CZ3-CB 4.15Å; E64-R106 IonicContact OE1-CZ 3.72Å; E64-R106 IonicContact OE1-NE 2.82Å; E64-R106 PolarHBondContact OE1-NE 3.47Å; E64-R106 IonicContact OE1-NH2 2.57Å; E64-R106 PolarHBondContact OE1-NH2 3.18Å; E64-R106 IonicContact OE2-CZ 3.26Å; E64-R106 IonicContact OE2-NE 2.67Å; E64-R106 PolarHBondContact OE2-NE 3.42Å; E64-R106 IonicContact OE2-NH2 3.97Å
107	A	77.8	Confident	67.1	Low	12 Å²	12	80.5 Å²	80.5	10%	0.099	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154	-179.2	0	0	0	0	0	111.6	G35 F37 F109	G35-A107 WeakPolarHBondContact CA-O 3.5Å; G35-A107 PolarHBondContact N-O 2.89Å; G35-A107 PolarHBondContact O-N 2.99Å; F37-A107 HydrophobicContact CD2-CB 4.34Å; F37-A107 HydrophobicContact CE2-CB 3.86Å; A107-F109 PolarHBondContact O-N 3.18Å
108	P	76.3	Confident	64.7	Low	52 Å²	52	78 Å²	78	34%	0.338	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.6	179.7	-21.8	33.1	0	0	0	112.4	T32 Q33 W34	T32-P108 HydrophobicContact CG2-CB 4Å; T32-P108 HydrophobicContact CG2-CG 4.37Å; Q33-P108 CarbonylContact O-C 3.49Å; Q33-P108 WeakPolarHBondContact O-CA 3.49Å; W34-P108 HydrophobicContact CE3-CG 4.3Å; W34-P108 HydrophobicContact CH2-CG 4.17Å; W34-P108 HydrophobicContact CZ3-CG 3.88Å
109	F	60.8	Low	62.2	Low	70 Å²	70	84.4 Å²	84.4	31%	0.307	44%	0.435	S	S	.	.			trans	-97.5	96	174.2	-175.7	-99	0	0	0	108.6	Q33 M47 A107	Q33-F109 HydrophobicContact CB-CB 4.34Å; Q33-F109 HydrophobicContact CG-CB 4.29Å; Q33-F109 HydrophobicContact CG-CD1 4.2Å; Q33-F109 PolarHBondContact O-N 2.78Å; M47-F109 HydrophobicContact CE-CD2 4.09Å; M47-F109 HydrophobicContact CE-CE2 3.63Å; M47-F109 HydrophobicContact CE-CZ 4.49Å; M47-F109 HydrophobicContact SD-CD2 3.67Å; M47-F109 HydrophobicContact SD-CE2 3.84Å; A107-F109 PolarHBondContact O-N 3.18Å
110	S	51.3	Low	60.1	Low	42 Å²	42	87.2 Å²	87.2	29%	0.294	44%	0.439	S	S	.	.			trans	-138	128.2	161.4	165	0	0	0	0	108.9	S112 A113 F114	S110-S112 PolarHBondContact O-N 3.47Å; S110-S112 PolarHBondContact OG-N 3.13Å; S110-S112 VanDerWaalsContact OG-N 3.15Å; S110-S112 PolarHBondContact OG-OG 2.86Å; S110-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact OG-N 3.48Å; S110-F114 PolarHBondContact O-N 2.69Å
111	I	41.8	Very low	58	Low	142 Å²	142	91.1 Å²	91.1	73%	0.728	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	175.5	-65.5	168.6	0	0	0	110.5	S115	I111-S115 PolarHBondContact O-OG 2.64Å; I111-S115 VanDerWaalsContact O-OG 3.06Å
112	S	40.7	Very low	56	Low	73 Å²	73	89.5 Å²	89.5	51%	0.51	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-22.1	172.5	61.8	0	0	0	0	114.1	S110 F114 S115 Y116	S110-S112 PolarHBondContact O-N 3.47Å; S110-S112 PolarHBondContact OG-N 3.13Å; S110-S112 VanDerWaalsContact OG-N 3.15Å; S110-S112 PolarHBondContact OG-OG 2.86Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 3.03Å; S112-S115 PolarHBondContact O-N 3.42Å; S112-Y116 PolarHBondContact O-N 3.03Å
113	A	40.3	Very low	54.5	Low	28 Å²	28	87.7 Å²	87.7	23%	0.231	46%	0.461	C	S	.	.	H	α-helix	trans	-69.4	-31.3	176.7	0	0	0	0	0	112.4	S110 S115 I117	S110-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact OG-N 3.48Å; A113-S115 PolarHBondContact O-N 2.74Å; A113-I117 HydrophobicContact CB-CD1 4.25Å; A113-I117 WeakPolarHBondContact O-CB 3.48Å; A113-I117 WeakPolarHBondContact O-CD1 3.49Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.2Å
114	F	34.9	Very low	53.5	Low	143 Å²	143	87.8 Å²	87.8	63%	0.627	47%	0.467	S	S	*	.	H	α-helix	trans	-73.8	-14.9	169.9	-82.7	-84.1	0	0	0	113.6	S110 S112	S110-F114 PolarHBondContact O-N 2.69Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 3.03Å
115	S	32.2	Very low	52.3	Low	86 Å²	86	91.4 Å²	91.4	60%	0.601	49%	0.485	S	S	*	.	H	α-helix	trans	-96	-11	-176.7	-51.6	0	0	0	0	113.5	I111 S112 A113	I111-S115 PolarHBondContact O-OG 2.64Å; I111-S115 VanDerWaalsContact O-OG 3.06Å; S112-S115 PolarHBondContact O-N 3.42Å; A113-S115 PolarHBondContact O-N 2.74Å
116	Y	35.6	Very low	51.7	Low	212 Å²	212	90 Å²	90	83%	0.831	48%	0.479	S	S	*	.	H	α-helix	trans	-125.5	2.5	177.1	-80	-81.1	0	0	0	114.3	S112	S112-Y116 PolarHBondContact O-N 3.03Å
117	I	38.8	Very low	50.3	Low	112 Å²	112	91.3 Å²	91.3	57%	0.574	49%	0.493	S	S	*	.	S	Bend	trans	-99.5	98.2	170.4	-61.1	169.1	0	0	0	107.1	A113	A113-I117 HydrophobicContact CB-CD1 4.25Å; A113-I117 WeakPolarHBondContact O-CB 3.48Å; A113-I117 WeakPolarHBondContact O-CD1 3.49Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.2Å
118	C	35.3	Very low	49.6	Very low	45 Å²	45	93.4 Å²	93.4	30%	0.304	50%	0.501	S	S	.	.			trans	67.3	111.7	175.4	-94.6	0	0	0	0	115.7	N120	C118-N120 WeakPolarHBondContact CB-O 3.17Å; C118-N120 PolarHBondContact O-N 3.19Å
119	E	33.6	Very low	49.5	Very low	208 Å²	208	91.4 Å²	91.4	97%	0.972	49%	0.487	S	S	*	.	S	Bend	trans	-61.3	1.8	154.2	-72	-174.1	158.5	0	0	112.9
120	N	43	Very low	49.6	Very low	108 Å²	108	92.2 Å²	92.2	58%	0.578	49%	0.491	S	S	*	.			trans	-115.9	98.9	168.1	-91.9	-58.4	0	0	0	110.5	C118 A122	C118-N120 WeakPolarHBondContact CB-O 3.17Å; C118-N120 PolarHBondContact O-N 3.19Å; N120-A122 PolarHBondContact O-N 2.93Å
121	E	43.3	Very low	50.3	Low	211 Å²	211	95 Å²	95	99%	0.986	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	4.1	169	-62	-172.6	151.9	0	0	114.9
122	A	50.4	Low	51.9	Low	79 Å²	79	90.3 Å²	90.3	65%	0.653	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-8.9	-169.6	0	0	0	0	0	115.6	N120 P124	N120-A122 PolarHBondContact O-N 2.93Å; A122-P124 WeakPolarHBondContact O-CD 3.39Å
123	I	57.4	Low	53.4	Low	46 Å²	46	90.2 Å²	90.2	24%	0.236	48%	0.475	C	S	.	.			trans	-101.8	100.1	179.2	-54.9	179.4	0	0	0	109.6	M125 E179 C182	I123-M125 PolarHBondContact O-N 3.15Å; I123-E179 HydrophobicContact CD1-CB 4.13Å; I123-E179 HydrophobicContact CD1-CG 4.07Å; I123-E179 HydrophobicContact CG2-CG 4.32Å; I123-C182 HydrophobicContact CG2-CB 3.78Å
124	P	64.6	Low	55.2	Low	90 Å²	90	93.7 Å²	93.7	58%	0.584	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-72.8	123.1	178.2	29.3	-33.3	0	0	0	110.2	A122 W178	A122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-W178 PolarHBondContact O-NE1 2.74Å
125	M	67.7	Low	57.4	Low	81 Å²	81	94.6 Å²	94.6	40%	0.399	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-63.7	138.2	164.6	-174.4	172.6	68.3	0	0	109.5	I123 W129 V132	I123-M125 PolarHBondContact O-N 3.15Å; M125-W129 HydrophobicContact CG-CB 4.45Å; M125-W129 HydrophobicContact CG-CE3 4.28Å; M125-V132 HydrophobicContact SD-CG2 4.01Å
126	P	71.8	Confident	59.8	Low	9 Å²	9	93.5 Å²	93.5	6%	0.058	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-59.4	136.8	179	-24.1	36.1	0	0	0	110.9	H128 W129 W178	P126-H128 VanDerWaalsContact CB-CE1 3.5Å; P126-H128 WeakPolarHBondContact CB-CE1 3.48Å; P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.13Å; P126-W129 HydrophobicContact CB-CG 4.11Å; P126-W129 HydrophobicContact CG-CD2 4.13Å; P126-W129 HydrophobicContact CG-CG 4.23Å; P126-W129 HydrophobicContact CG-CZ2 4.03Å; P126-W129 PolarHBondContact O-N 3.2Å; P126-W178 HydrophobicContact CG-CD2 3.96Å; P126-W178 VanDerWaalsContact CG-CE2 3.5Å; P126-W178 HydrophobicContact CG-CE3 4.36Å; P126-W178 HydrophobicContact CG-CH2 3.96Å; P126-W178 HydrophobicContact CG-CZ2 3.53Å; P126-W178 HydrophobicContact CG-CZ3 4.36Å
127	P	58.9	Low	62.3	Low	69 Å²	69	86.6 Å²	86.6	45%	0.448	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.9	-173.2	27.7	-35.6	0	0	0	113.5	K105	K105-P127 HydrophobicContact CB-CB 4.06Å
128	H	63.6	Low	65	Low	56 Å²	56	83.4 Å²	83.4	26%	0.259	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.9	-178.6	61.4	-96.3	0	0	0	113	P126 E149 R171 E332	P126-H128 VanDerWaalsContact CB-CE1 3.5Å; P126-H128 WeakPolarHBondContact CB-CE1 3.48Å; P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.13Å; H128-E149 IonicContact CD2-OE1 3.87Å; H128-E149 PolarHBondContact CD2-OE1 2.72Å; H128-E149 VanDerWaalsContact CD2-OE1 3.26Å; H128-E149 IonicContact CG-OE1 3.8Å; H128-E149 IonicContact NE2-OE1 3.64Å; H128-R171 WeakPolarHBondContact CD2-CD 3.32Å; H128-R171 PolarHBondContact O-NH1 2.57Å; H128-R171 PolarHBondContact O-NH2 3.33Å; H128-E332 IonicContact CE1-OE1 3.59Å; H128-E332 IonicContact NE2-OE1 3.16Å
129	W	73.6	Confident	67.6	Low	9 Å²	9	83.2 Å²	83.2	3%	0.034	45%	0.445	C	S	.	.			trans	-73.6	141	177.7	-77.8	22.5	0	0	0	112	M125 P126 V132 Q173 N174 L175 W178 Y330	M125-W129 HydrophobicContact CG-CB 4.45Å; M125-W129 HydrophobicContact CG-CE3 4.28Å; P126-W129 HydrophobicContact CB-CG 4.11Å; P126-W129 HydrophobicContact CG-CD2 4.13Å; P126-W129 HydrophobicContact CG-CG 4.23Å; P126-W129 HydrophobicContact CG-CZ2 4.03Å; P126-W129 PolarHBondContact O-N 3.2Å; W129-V132 HydrophobicContact CB-CG2 4.03Å; W129-V132 HydrophobicContact CD2-CG2 4.46Å; W129-V132 HydrophobicContact CE3-CG1 4.45Å; W129-V132 HydrophobicContact CE3-CG2 3.69Å; W129-Q173 HydrophobicContact CD2-CB 4.18Å; W129-Q173 HydrophobicContact CD2-CG 3.83Å; W129-Q173 HydrophobicContact CE3-CB 4.06Å; W129-Q173 HydrophobicContact CE3-CG 4.17Å; W129-Q173 HydrophobicContact CG-CG 4.04Å; W129-Q173 HydrophobicContact CH2-CB 4.46Å; W129-Q173 HydrophobicContact CZ3-CB 4.18Å; W129-N174 WeakPolarHBondContact CH2-O 3.45Å; W129-L175 HydrophobicContact CZ3-CD1 4.24Å; W129-W178 HydrophobicContact CH2-CB 3.72Å; W129-W178 HydrophobicContact CH2-CG 4.06Å; W129-W178 HydrophobicContact CZ2-CB 4.26Å; W129-W178 HydrophobicContact CZ2-CD2 4.44Å; W129-W178 HydrophobicContact CZ2-CG 4.3Å; W129-Y330 WeakPolarHBondContact CH2-OH 3.21Å; W129-Y330 HydrophobicContact CZ2-CE1 4.08Å; W129-Y330 AromaticContact CZ2-CZ 3.67Å; W129-Y330 WeakPolarHBondContact CZ2-OH 3.43Å
130	E	62.6	Low	70.5	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.411	41%	0.412	S	S	.	.			trans	-132.2	140.4	-174.9	-63.2	179	-172	0	0	110	V132 Q173	E130-V132 VanDerWaalsContact C-N 3.28Å; E130-V132 PolarHBondContact O-N 3.15Å; E130-Q173 PolarHBondContact O-NE2 2.83Å; E130-Q173 PolarHBondContact O-OE1 3.29Å
131	N	67.2	Low	72.9	Confident	101 Å²	101	72.3 Å²	72.3	54%	0.54	39%	0.393	S	S	.	.	S	Bend	trans	49.8	44.4	172.1	-55.2	-44.2	0	0	0	114.2	W34 N133 Q139	W34-N131 VanDerWaalsContact CZ2-OD1 3.24Å; W34-N131 WeakPolarHBondContact CZ2-OD1 3.39Å; N131-N133 PolarHBondContact O-N 3.07Å; N131-N133 VanDerWaalsContact O-N 3.11Å; N131-Q139 PolarHBondContact O-NE2 3.46Å; N131-Q139 PolarHBondContact O-OE1 3.02Å
132	V	73.8	Confident	75.3	Confident	43 Å²	43	66.6 Å²	66.6	26%	0.261	37%	0.374	S	S	.	.			trans	-62.3	114.1	-179.3	-176	0	0	0	0	109.2	M125 W129 E130	M125-V132 HydrophobicContact SD-CG2 4.01Å; W129-V132 HydrophobicContact CB-CG2 4.03Å; W129-V132 HydrophobicContact CD2-CG2 4.46Å; W129-V132 HydrophobicContact CE3-CG1 4.45Å; W129-V132 HydrophobicContact CE3-CG2 3.69Å; E130-V132 VanDerWaalsContact C-N 3.28Å; E130-V132 PolarHBondContact O-N 3.15Å
133	N	73.6	Confident	77.2	Confident	71 Å²	71	63.8 Å²	63.8	38%	0.38	35%	0.348	S	S	.	.			trans	-95	111.5	176.1	-177.8	-7.7	0	0	0	109.4	N131 Q135 V136 Q139	N131-N133 PolarHBondContact O-N 3.07Å; N131-N133 VanDerWaalsContact O-N 3.11Å; N133-Q135 PolarHBondContact O-N 3.4Å; N133-Q135 VanDerWaalsContact OD1-CB 3.28Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.46Å; N133-Q135 PolarHBondContact OD1-N 3.5Å; N133-V136 HydrophobicContact CB-CG2 3.97Å; N133-V136 WeakPolarHBondContact O-CG2 3.23Å; N133-Q139 HydrophobicContact CB-CG 4.48Å
134	T	77.1	Confident	78.7	Confident	100 Å²	100	67.4 Å²	67.4	61%	0.613	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.1	-179.2	56.5	0	0	0	0	113.9	L175	T134-L175 HydrophobicContact CG2-CD2 4.21Å
135	Q	81.5	Confident	79.9	Confident	162 Å²	162	67.3 Å²	67.3	76%	0.757	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.8	178.8	-55	-57.3	-49.4	0	0	113.2	N133	N133-Q135 PolarHBondContact O-N 3.4Å; N133-Q135 VanDerWaalsContact OD1-CB 3.28Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.46Å; N133-Q135 PolarHBondContact OD1-N 3.5Å
136	V	83.3	Confident	80.7	Confident	63 Å²	63	69 Å²	69	38%	0.382	37%	0.366	S	S	.	.	S	Bend	trans	-121	148.5	178.1	-62.9	0	0	0	0	110.2	N133 Y138 Q139	N133-V136 HydrophobicContact CB-CG2 3.97Å; N133-V136 WeakPolarHBondContact O-CG2 3.23Å; V136-Y138 VanDerWaalsContact C-N 3.26Å; V136-Y138 PolarHBondContact O-N 3.21Å; V136-Q139 HydrophobicContact CG2-CG 3.72Å
137	P	87.6	Confident	81.3	Confident	67 Å²	67	71 Å²	71	44%	0.435	38%	0.377	S	S	.	.	S	Bend	trans	-65.5	-30.2	-177.4	24.6	-33.9	0	0	0	112.8	N174 I216	P137-N174 PolarHBondContact O-ND2 2.94Å; P137-I216 HydrophobicContact CB-CG1 4.46Å; P137-I216 HydrophobicContact CB-CG2 4.16Å; P137-I216 HydrophobicContact CG-CG1 4.33Å
138	Y	94.2	Very high	82.5	Confident	46 Å²	46	71.7 Å²	71.7	18%	0.18	37%	0.374	C	S	.	.			trans	-159.7	162.9	173.9	74.1	-75.1	0	0	0	111.5	V136 L140 Q173 C215 I216	V136-Y138 VanDerWaalsContact C-N 3.26Å; V136-Y138 PolarHBondContact O-N 3.21Å; Y138-L140 HydrophobicContact CD2-CD2 4.29Å; Y138-L140 HydrophobicContact CD2-CG 4.18Å; Y138-L140 HydrophobicContact CE2-CD1 4.17Å; Y138-L140 HydrophobicContact CE2-CD2 4.12Å; Y138-L140 HydrophobicContact CE2-CG 3.78Å; Y138-Q173 CarbonylContact C-O 3.54Å; Y138-Q173 VanDerWaalsContact CA-O 3.23Å; Y138-Q173 WeakPolarHBondContact CA-O 3.34Å; Y138-C215 HydrophobicContact CD1-CB 3.98Å; Y138-C215 HydrophobicContact CD2-CB 3.55Å; Y138-C215 HydrophobicContact CE1-CB 3.91Å; Y138-C215 HydrophobicContact CE2-CB 3.41Å; Y138-C215 VanDerWaalsContact CE2-CB 3.41Å; Y138-C215 HydrophobicContact CG-CB 3.82Å; Y138-I216 HydrophobicContact CD1-CG1 3.61Å; Y138-I216 HydrophobicContact CE1-CD1 4.06Å; Y138-I216 HydrophobicContact CE1-CG1 3.43Å; Y138-I216 VanDerWaalsContact CE1-CG1 3.43Å
139	Q	91.8	Very high	83.6	Confident	40 Å²	40	70.4 Å²	70.4	19%	0.187	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.6	168.3	-63.4	166.9	-70.6	0	0	110.6	N131 N133 V136 I141 I172 Q173	N131-Q139 PolarHBondContact O-NE2 3.46Å; N131-Q139 PolarHBondContact O-OE1 3.02Å; N133-Q139 HydrophobicContact CB-CG 4.48Å; V136-Q139 HydrophobicContact CG2-CG 3.72Å; Q139-I141 HydrophobicContact CB-CD1 4.02Å; Q139-I172 WeakPolarHBondContact O-CA 3.34Å; Q139-Q173 HydrophobicContact CB-CB 4.4Å; Q139-Q173 PolarHBondContact N-O 2.81Å; Q139-Q173 PolarHBondContact O-N 2.86Å
140	L	94.7	Very high	84.5	Confident	53 Å²	53	71.4 Å²	71.4	28%	0.277	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.2	168.8	-65.3	174.7	0	0	0	109.2	Y138 P142 Q170 R171 I172 L334	Y138-L140 HydrophobicContact CD2-CD2 4.29Å; Y138-L140 HydrophobicContact CD2-CG 4.18Å; Y138-L140 HydrophobicContact CE2-CD1 4.17Å; Y138-L140 HydrophobicContact CE2-CD2 4.12Å; Y138-L140 HydrophobicContact CE2-CG 3.78Å; L140-P142 WeakPolarHBondContact O-CD 3.13Å; L140-Q170 HydrophobicContact CB-CB 4.3Å; L140-Q170 HydrophobicContact CD2-CB 4.43Å; L140-R171 CarbonylContact C-O 3.54Å; L140-R171 WeakPolarHBondContact CA-O 3.49Å; L140-I172 HydrophobicContact CD2-CB 4.43Å; L140-I172 HydrophobicContact CD2-CG1 3.53Å; L140-L334 HydrophobicContact CD1-CD2 4.45Å
141	I	91.4	Very high	85.9	Confident	35 Å²	35	69.6 Å²	69.6	18%	0.179	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.9	179.9	-50.2	-53.9	0	0	0	108.6	Q139 L143 Q170 R171 Q173	Q139-I141 HydrophobicContact CB-CD1 4.02Å; I141-L143 PolarHBondContact O-N 3.16Å; I141-Q170 CarbonylContact O-C 3.46Å; I141-Q170 VanDerWaalsContact O-CA 3.31Å; I141-Q170 WeakPolarHBondContact O-CA 3.49Å; I141-R171 HydrophobicContact CB-CB 4.42Å; I141-R171 PolarHBondContact N-O 3.35Å; I141-R171 PolarHBondContact O-N 2.88Å; I141-Q173 HydrophobicContact CG1-CG 3.95Å
142	P	94.2	Very high	87.1	Confident	90 Å²	90	69.7 Å²	69.7	58%	0.584	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.6	176.7	-19.2	32.8	0	0	0	110.8	L140	L140-P142 WeakPolarHBondContact O-CD 3.13Å
143	L	90.4	Very high	88.2	Confident	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-88	135.9	175.8	-58.1	-171.8	0	0	0	110.5	I141 E149 Y150 I169 R171 Y333	I141-L143 PolarHBondContact O-N 3.16Å; L143-E149 HydrophobicContact CD1-CB 4.35Å; L143-E149 HydrophobicContact CD1-CG 3.75Å; L143-E149 VanDerWaalsContact CD2-OE2 3.3Å; L143-E149 WeakPolarHBondContact CD2-OE2 3.36Å; L143-Y150 HydrophobicContact CB-CD2 4.03Å; L143-I169 HydrophobicContact CD1-CB 4.47Å; L143-I169 HydrophobicContact CD1-CG2 3.82Å; L143-I169 HydrophobicContact CG-CG2 4.41Å; L143-I169 PolarHBondContact N-O 2.85Å; L143-R171 HydrophobicContact CD2-CB 4Å; L143-R171 HydrophobicContact CG-CB 4.46Å; L143-Y333 HydrophobicContact CD1-CD1 4.03Å; L143-Y333 HydrophobicContact CD1-CE1 3.78Å
144	H	88.8	Confident	89.3	Confident	122 Å²	122	64.4 Å²	64.4	57%	0.565	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-82.5	138.3	178.1	-161.9	-101.5	0	0	0	110.5	Q146 T147 Y150	H144-Q146 VanDerWaalsContact C-N 3.26Å; H144-Q146 PolarHBondContact CE1-OE1 3.25Å; H144-Q146 PolarHBondContact ND1-OE1 2.99Å; H144-Q146 PolarHBondContact O-N 2.85Å; H144-Q146 VanDerWaalsContact O-N 3.16Å; H144-T147 HydrophobicContact CB-CG2 4.03Å; H144-T147 PolarHBondContact O-N 3.23Å; H144-T147 PolarHBondContact O-OG1 3.37Å; H144-Y150 VanDerWaalsContact O-CB 3.23Å; H144-Y150 WeakPolarHBondContact O-CB 3.47Å
145	N	89.4	Confident	90.2	Very high	87 Å²	87	63.5 Å²	63.5	47%	0.465	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.8	-166.2	63.5	-2	0	0	0	115.5	Y150 N151	N145-Y150 HydrophobicContact CB-CD1 3.96Å; N145-Y150 HydrophobicContact CB-CD2 4.33Å; N145-Y150 HydrophobicContact CB-CE1 3.73Å; N145-Y150 HydrophobicContact CB-CE2 4.11Å; N145-Y150 HydrophobicContact CB-CG 4.28Å; N145-N151 PolarHBondContact O-ND2 2.79Å; N145-N151 VanDerWaalsContact O-ND2 3.1Å
146	Q	84.9	Confident	91	Very high	118 Å²	118	58.2 Å²	58.2	55%	0.551	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.7	171.5	-60.6	80.7	3.6	0	0	113.7	H144	H144-Q146 VanDerWaalsContact C-N 3.26Å; H144-Q146 PolarHBondContact CE1-OE1 3.25Å; H144-Q146 PolarHBondContact ND1-OE1 2.99Å; H144-Q146 PolarHBondContact O-N 2.85Å; H144-Q146 VanDerWaalsContact O-N 3.16Å
147	T	83.9	Confident	91.7	Very high	49 Å²	49	55.2 Å²	55.2	30%	0.301	28%	0.283	S	S	.	.	S	Bend	trans	-74.6	151.8	178.7	68.7	0	0	0	0	111.4	H144 E149 Y150 N151	H144-T147 HydrophobicContact CB-CG2 4.03Å; H144-T147 PolarHBondContact O-N 3.23Å; H144-T147 PolarHBondContact O-OG1 3.37Å; T147-E149 VanDerWaalsContact C-N 3.3Å; T147-E149 PolarHBondContact O-N 3.24Å; T147-Y150 PolarHBondContact O-N 2.8Å; T147-Y150 WeakPolarHBondContact OG1-CB 3.31Å; T147-Y150 PolarHBondContact OG1-N 2.84Å; T147-N151 PolarHBondContact O-N 2.83Å; T147-N151 VanDerWaalsContact O-N 3.15Å; T147-N151 PolarHBondContact O-ND2 3.22Å
148	H	84.1	Confident	92.2	Very high	84 Å²	84	53.4 Å²	53.4	39%	0.389	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-46.2	173.4	-177.6	-86.8	0	0	0	111	E90 Y150 N151 E152	E90-H148 IonicContact OE1-CD2 3.75Å; H148-Y150 PolarHBondContact O-N 3.34Å; H148-N151 PolarHBondContact O-N 2.72Å; H148-E152 IonicContact CE1-OE1 2.76Å; H148-E152 PolarHBondContact CE1-OE1 3.41Å; H148-E152 IonicContact CE1-OE2 2.61Å; H148-E152 PolarHBondContact CE1-OE2 3.19Å; H148-E152 IonicContact ND1-OE2 3.77Å; H148-E152 PolarHBondContact ND1-OE2 2.8Å; H148-E152 PolarHBondContact O-N 2.91Å
149	E	87.5	Confident	92.4	Very high	29 Å²	29	58.7 Å²	58.7	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-47.6	-179.9	-170.4	-177.1	-165.1	0	0	112.6	H128 L143 T147 N151 E152 V153 R171 Y333	H128-E149 IonicContact CD2-OE1 3.87Å; H128-E149 PolarHBondContact CD2-OE1 2.72Å; H128-E149 VanDerWaalsContact CD2-OE1 3.26Å; H128-E149 IonicContact CG-OE1 3.8Å; H128-E149 IonicContact NE2-OE1 3.64Å; L143-E149 HydrophobicContact CD1-CB 4.35Å; L143-E149 HydrophobicContact CD1-CG 3.75Å; L143-E149 VanDerWaalsContact CD2-OE2 3.3Å; L143-E149 WeakPolarHBondContact CD2-OE2 3.36Å; T147-E149 VanDerWaalsContact C-N 3.3Å; T147-E149 PolarHBondContact O-N 3.24Å; E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.7Å; E149-E152 PolarHBondContact O-N 3.26Å; E149-V153 WeakPolarHBondContact O-CG2 3.42Å; E149-V153 PolarHBondContact O-N 2.85Å; E149-R171 WeakPolarHBondContact OE1-CD 3.3Å; E149-R171 IonicContact OE1-NH1 3.09Å; E149-R171 PolarHBondContact OE1-NH1 2.99Å; E149-R171 IonicContact OE2-NH1 2.69Å; E149-R171 PolarHBondContact OE2-NH1 2.61Å; E149-Y333 HydrophobicContact CG-CE1 4.05Å; E149-Y333 VanDerWaalsContact CG-OH 3.31Å; E149-Y333 WeakPolarHBondContact CG-OH 3.43Å; E149-Y333 VanDerWaalsContact OE1-CE1 3.24Å; E149-Y333 WeakPolarHBondContact OE1-CE1 3.24Å; E149-Y333 PolarHBondContact OE1-OH 2.88Å
150	Y	93.3	Very high	92.7	Very high	30 Å²	30	59.3 Å²	59.3	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-46.5	174.7	179.6	-80	0	0	0	110.7	L143 H144 N145 T147 H148 E152 V153 A154 I166 I169	L143-Y150 HydrophobicContact CB-CD2 4.03Å; H144-Y150 VanDerWaalsContact O-CB 3.23Å; H144-Y150 WeakPolarHBondContact O-CB 3.47Å; N145-Y150 HydrophobicContact CB-CD1 3.96Å; N145-Y150 HydrophobicContact CB-CD2 4.33Å; N145-Y150 HydrophobicContact CB-CE1 3.73Å; N145-Y150 HydrophobicContact CB-CE2 4.11Å; N145-Y150 HydrophobicContact CB-CG 4.28Å; T147-Y150 PolarHBondContact O-N 2.8Å; T147-Y150 WeakPolarHBondContact OG1-CB 3.31Å; T147-Y150 PolarHBondContact OG1-N 2.84Å; H148-Y150 PolarHBondContact O-N 3.34Å; Y150-E152 PolarHBondContact O-N 3.45Å; Y150-V153 PolarHBondContact O-N 3.02Å; Y150-A154 HydrophobicContact CD1-CB 4.07Å; Y150-A154 HydrophobicContact CE1-CB 3.78Å; Y150-A154 WeakPolarHBondContact O-CB 3.5Å; Y150-A154 PolarHBondContact O-N 3.35Å; Y150-I166 WeakPolarHBondContact OH-CG2 3.25Å; Y150-I169 HydrophobicContact CD1-CD1 4.35Å; Y150-I169 HydrophobicContact CD2-CB 3.93Å; Y150-I169 HydrophobicContact CD2-CD1 3.72Å; Y150-I169 HydrophobicContact CD2-CG1 4Å; Y150-I169 HydrophobicContact CE1-CD1 4.24Å; Y150-I169 HydrophobicContact CE2-CB 3.98Å; Y150-I169 HydrophobicContact CE2-CD1 3.62Å; Y150-I169 HydrophobicContact CE2-CG1 3.68Å; Y150-I169 HydrophobicContact CG-CD1 4.08Å
151	N	90.6	Very high	92.8	Very high	50 Å²	50	57.5 Å²	57.5	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-37	-175.8	-80.7	-60.8	0	0	0	112.7	N145 T147 H148 E149 N155 R163	N145-N151 PolarHBondContact O-ND2 2.79Å; N145-N151 VanDerWaalsContact O-ND2 3.1Å; T147-N151 PolarHBondContact O-N 2.83Å; T147-N151 VanDerWaalsContact O-N 3.15Å; T147-N151 PolarHBondContact O-ND2 3.22Å; H148-N151 PolarHBondContact O-N 2.72Å; E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.7Å; N151-N155 WeakPolarHBondContact O-CB 3.21Å; N151-N155 PolarHBondContact O-N 2.72Å; N151-N155 PolarHBondContact O-ND2 2.63Å; N151-N155 VanDerWaalsContact O-ND2 3.12Å; N151-N155 PolarHBondContact O-OD1 3.5Å; N151-R163 PolarHBondContact O-NH2 3.02Å; N151-R163 PolarHBondContact OD1-NH2 3.21Å
152	E	93.2	Very high	93.1	Very high	103 Å²	103	59.9 Å²	59.9	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-51.3	173.1	-74.2	-170.4	110.3	0	0	111.9	H148 E149 Y150 N155 L156	H148-E152 IonicContact CE1-OE1 2.76Å; H148-E152 PolarHBondContact CE1-OE1 3.41Å; H148-E152 IonicContact CE1-OE2 2.61Å; H148-E152 PolarHBondContact CE1-OE2 3.19Å; H148-E152 IonicContact ND1-OE2 3.77Å; H148-E152 PolarHBondContact ND1-OE2 2.8Å; H148-E152 PolarHBondContact O-N 2.91Å; E149-E152 PolarHBondContact O-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.45Å; E152-N155 PolarHBondContact O-N 3.21Å; E152-L156 WeakPolarHBondContact O-CG 3.34Å; E152-L156 PolarHBondContact O-N 3.31Å
153	V	96.5	Very high	93.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-46.2	179.5	178.3	0	0	0	0	110.6	E149 Y150 N155 L156 F157 I169 L279 Y333 I335	E149-V153 WeakPolarHBondContact O-CG2 3.42Å; E149-V153 PolarHBondContact O-N 2.85Å; Y150-V153 PolarHBondContact O-N 3.02Å; V153-N155 VanDerWaalsContact C-N 3.28Å; V153-N155 PolarHBondContact O-N 3.49Å; V153-L156 PolarHBondContact O-N 3.25Å; V153-F157 PolarHBondContact O-N 3.04Å; V153-I169 HydrophobicContact CB-CD1 3.94Å; V153-I169 HydrophobicContact CB-CG2 4.24Å; V153-I169 HydrophobicContact CG1-CD1 3.79Å; V153-I169 HydrophobicContact CG1-CG1 4.43Å; V153-I169 HydrophobicContact CG1-CG2 3.81Å; V153-L279 HydrophobicContact CB-CD2 4.34Å; V153-L279 HydrophobicContact CG1-CD2 3.8Å; V153-L279 HydrophobicContact CG2-CD2 4.16Å; V153-Y333 HydrophobicContact CG1-CG 4.45Å; V153-Y333 HydrophobicContact CG2-CD1 4.09Å; V153-Y333 HydrophobicContact CG2-CD2 3.59Å; V153-Y333 HydrophobicContact CG2-CE1 4.12Å; V153-Y333 HydrophobicContact CG2-CE2 3.59Å; V153-Y333 HydrophobicContact CG2-CG 3.84Å; V153-I335 HydrophobicContact CG1-CD1 3.65Å; V153-I335 HydrophobicContact CG1-CG1 4.01Å
154	A	97.4	Very high	93.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-32.8	177.6	0	0	0	0	0	112.2	Y150 G158 R163 I166 I169	Y150-A154 HydrophobicContact CD1-CB 4.07Å; Y150-A154 HydrophobicContact CE1-CB 3.78Å; Y150-A154 WeakPolarHBondContact O-CB 3.5Å; Y150-A154 PolarHBondContact O-N 3.35Å; A154-G158 WeakPolarHBondContact O-CA 3.17Å; A154-G158 PolarHBondContact O-N 3.18Å; A154-R163 VanDerWaalsContact CB-NH2 3.27Å; A154-R163 WeakPolarHBondContact O-CG 3.42Å; A154-R163 PolarHBondContact O-NE 3.17Å; A154-R163 VanDerWaalsContact O-NE 3.16Å; A154-I166 HydrophobicContact CB-CD1 3.65Å; A154-I169 HydrophobicContact CB-CD1 3.94Å
155	N	95.8	Very high	93.7	Very high	82 Å²	82	64.3 Å²	64.3	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-70.5	-40.5	175.4	-75.8	-20.6	0	0	0	111.4	N151 E152 V153 F157 G158 K159 R163	N151-N155 WeakPolarHBondContact O-CB 3.21Å; N151-N155 PolarHBondContact O-N 2.72Å; N151-N155 PolarHBondContact O-ND2 2.63Å; N151-N155 VanDerWaalsContact O-ND2 3.12Å; N151-N155 PolarHBondContact O-OD1 3.5Å; E152-N155 PolarHBondContact O-N 3.21Å; V153-N155 VanDerWaalsContact C-N 3.28Å; V153-N155 PolarHBondContact O-N 3.49Å; N155-F157 VanDerWaalsContact C-N 3.34Å; N155-F157 PolarHBondContact O-N 3.31Å; N155-G158 WeakPolarHBondContact O-CA 3.37Å; N155-G158 PolarHBondContact O-N 3.42Å; N155-K159 WeakPolarHBondContact O-CG 3.18Å; N155-K159 PolarHBondContact O-N 2.87Å; N155-K159 VanDerWaalsContact O-N 3.15Å; N155-R163 PolarHBondContact OD1-NE 3.12Å; N155-R163 PolarHBondContact OD1-NH2 2.71Å; N155-R163 VanDerWaalsContact OD1-NH2 3.13Å
156	L	97.6	Very high	94.1	Very high	51 Å²	51	61 Å²	61	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-45.4	174	-70.7	173.5	0	0	0	111.4	E152 V153 G158 K159 M201 F203 L279	E152-L156 WeakPolarHBondContact O-CG 3.34Å; E152-L156 PolarHBondContact O-N 3.31Å; V153-L156 PolarHBondContact O-N 3.25Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-K159 HydrophobicContact CD2-CD 4.49Å; L156-K159 WeakPolarHBondContact O-CB 3.07Å; L156-K159 PolarHBondContact O-N 2.9Å; L156-M201 HydrophobicContact CD1-CB 4.19Å; L156-F203 HydrophobicContact CB-CZ 4.01Å; L156-L279 HydrophobicContact CD1-CD2 3.78Å
157	F	98.4	Very high	94.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-45.8	173.6	-177.5	-89.3	0	0	0	111.1	V153 N155 K159 T160 M161 D162 I166 F203 A241 M277 I335 F337	V153-F157 PolarHBondContact O-N 3.04Å; N155-F157 VanDerWaalsContact C-N 3.34Å; N155-F157 PolarHBondContact O-N 3.31Å; F157-K159 PolarHBondContact O-N 3.05Å; F157-K159 VanDerWaalsContact O-N 3.07Å; F157-T160 PolarHBondContact O-N 3.17Å; F157-M161 HydrophobicContact CD1-CB 3.82Å; F157-M161 HydrophobicContact CD2-SD 4.4Å; F157-M161 HydrophobicContact CE1-CB 3.37Å; F157-M161 HydrophobicContact CE1-CE 4.5Å; F157-M161 HydrophobicContact CE1-CG 4.38Å; F157-M161 HydrophobicContact CE1-SD 4.31Å; F157-M161 HydrophobicContact CE2-CB 4.23Å; F157-M161 HydrophobicContact CE2-CE 4.25Å; F157-M161 HydrophobicContact CE2-CG 4.46Å; F157-M161 HydrophobicContact CE2-SD 3.57Å; F157-M161 VanDerWaalsContact CE2-SD 3.57Å; F157-M161 HydrophobicContact CG-CB 4.43Å; F157-M161 HydrophobicContact CZ-CB 3.61Å; F157-M161 HydrophobicContact CZ-CE 3.7Å; F157-M161 HydrophobicContact CZ-CG 4.16Å; F157-M161 HydrophobicContact CZ-SD 3.53Å; F157-M161 VanDerWaalsContact CZ-SD 3.53Å; F157-M161 PolarHBondContact O-N 3.35Å; F157-D162 WeakPolarHBondContact CE1-O 3.31Å; F157-I166 HydrophobicContact CB-CD1 4.21Å; F157-I166 HydrophobicContact CD1-CD1 3.7Å; F157-I166 HydrophobicContact CD1-CG1 3.7Å; F157-I166 HydrophobicContact CE1-CD1 4.28Å; F157-I166 HydrophobicContact CE1-CG1 3.75Å; F157-I166 HydrophobicContact CG-CD1 4.07Å; F157-I166 HydrophobicContact CG-CG1 4.25Å; F157-I166 HydrophobicContact CZ-CG1 4.36Å; F157-F203 HydrophobicContact CB-CE1 4.38Å; F157-F203 HydrophobicContact CB-CZ 4.31Å; F157-F203 HydrophobicContact CD2-CE1 4.34Å; F157-A241 HydrophobicContact CD2-CB 3.81Å; F157-A241 HydrophobicContact CE2-CB 4.25Å; F157-A241 HydrophobicContact CG-CB 4.38Å; F157-M277 HydrophobicContact CD2-SD 4.05Å; F157-M277 HydrophobicContact CE2-CE 3.85Å; F157-M277 HydrophobicContact CE2-SD 3.89Å; F157-I335 HydrophobicContact CD2-CD1 4.35Å; F157-I335 HydrophobicContact CD2-CG2 4.28Å; F157-I335 HydrophobicContact CE2-CG2 4.36Å; F157-F337 HydrophobicContact CE2-CD1 4.31Å; F157-F337 HydrophobicContact CE2-CG 4.24Å; F157-F337 HydrophobicContact CZ-CB 4.1Å; F157-F337 HydrophobicContact CZ-CD2 4.21Å; F157-F337 HydrophobicContact CZ-CG 4.03Å
158	G	98.1	Very high	95.2	Very high	29 Å²	29	62.3 Å²	62.3	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-55.9	-20.2	178.6	0	0	0	0	0	116	A154 N155 L156 T160 M161	A154-G158 WeakPolarHBondContact O-CA 3.17Å; A154-G158 PolarHBondContact O-N 3.18Å; N155-G158 WeakPolarHBondContact O-CA 3.37Å; N155-G158 PolarHBondContact O-N 3.42Å; L156-G158 VanDerWaalsContact C-N 3.34Å; G158-T160 PolarHBondContact O-N 3.21Å; G158-M161 CarbonylContact C-O 3.57Å; G158-M161 WeakPolarHBondContact CA-O 3.2Å
159	K	97.7	Very high	95.9	Very high	157 Å²	157	58.3 Å²	58.3	68%	0.683	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.7	177.9	-71.2	178.8	-180	178.4	0	112.9	N155 L156 F157	N155-K159 WeakPolarHBondContact O-CG 3.18Å; N155-K159 PolarHBondContact O-N 2.87Å; N155-K159 VanDerWaalsContact O-N 3.15Å; L156-K159 HydrophobicContact CD2-CD 4.49Å; L156-K159 WeakPolarHBondContact O-CB 3.07Å; L156-K159 PolarHBondContact O-N 2.9Å; F157-K159 PolarHBondContact O-N 3.05Å; F157-K159 VanDerWaalsContact O-N 3.07Å
160	T	98.2	Very high	96.4	Very high	52 Å²	52	57.5 Å²	57.5	32%	0.319	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-9.1	-174.8	62.5	0	0	0	0	114.3	F157 G158 D240 A241 A242	F157-T160 PolarHBondContact O-N 3.17Å; G158-T160 PolarHBondContact O-N 3.21Å; T160-D240 HydrophobicContact CG2-CB 3.78Å; T160-A241 PolarHBondContact OG1-N 3.1Å; T160-A241 VanDerWaalsContact OG1-N 3.1Å; T160-A242 WeakPolarHBondContact O-CB 3.49Å; T160-A242 PolarHBondContact OG1-N 3.21Å
161	M	97.6	Very high	96.5	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.074	27%	0.272	C	S	.	.	S	Bend	trans	-130.9	155	175.6	-66	-169.4	70.1	0	0	110.2	F157 G158 R163 A241 A242 M277 F337	F157-M161 HydrophobicContact CD1-CB 3.82Å; F157-M161 HydrophobicContact CD2-SD 4.4Å; F157-M161 HydrophobicContact CE1-CB 3.37Å; F157-M161 HydrophobicContact CE1-CE 4.5Å; F157-M161 HydrophobicContact CE1-CG 4.38Å; F157-M161 HydrophobicContact CE1-SD 4.31Å; F157-M161 HydrophobicContact CE2-CB 4.23Å; F157-M161 HydrophobicContact CE2-CE 4.25Å; F157-M161 HydrophobicContact CE2-CG 4.46Å; F157-M161 HydrophobicContact CE2-SD 3.57Å; F157-M161 VanDerWaalsContact CE2-SD 3.57Å; F157-M161 HydrophobicContact CG-CB 4.43Å; F157-M161 HydrophobicContact CZ-CB 3.61Å; F157-M161 HydrophobicContact CZ-CE 3.7Å; F157-M161 HydrophobicContact CZ-CG 4.16Å; F157-M161 HydrophobicContact CZ-SD 3.53Å; F157-M161 VanDerWaalsContact CZ-SD 3.53Å; F157-M161 PolarHBondContact O-N 3.35Å; G158-M161 CarbonylContact C-O 3.57Å; G158-M161 WeakPolarHBondContact CA-O 3.2Å; M161-R163 PolarHBondContact O-N 3.08Å; M161-A241 HydrophobicContact CG-CB 4.04Å; M161-A241 HydrophobicContact SD-CB 3.89Å; M161-A242 HydrophobicContact CG-CB 3.87Å; M161-M277 HydrophobicContact SD-CE 3.94Å; M161-F337 HydrophobicContact CE-CD2 4Å; M161-F337 HydrophobicContact CE-CE2 3.8Å
162	D	97.2	Very high	96.8	Very high	86 Å²	86	53.9 Å²	53.9	46%	0.46	26%	0.259	S	S	.	.			trans	-68	122.4	176.3	176.3	14.7	0	0	0	111.1	F157 N164 R165	F157-D162 WeakPolarHBondContact CE1-O 3.31Å; D162-N164 PolarHBondContact O-N 3.04Å; D162-N164 PolarHBondContact OD1-N 3.07Å; D162-N164 PolarHBondContact OD1-ND2 3.09Å; D162-R165 HydrophobicContact CB-CG 4.04Å; D162-R165 VanDerWaalsContact O-CB 3.31Å; D162-R165 WeakPolarHBondContact O-CB 3.45Å; D162-R165 PolarHBondContact O-N 2.97Å; D162-R165 VanDerWaalsContact O-N 3.08Å
163	R	95.7	Very high	96.8	Very high	88 Å²	88	49.1 Å²	49.1	33%	0.332	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-58.4	-29.7	179.2	-66.3	-177.2	82.6	-142.7	8.9	112.4	N151 A154 N155 M161 R165 I166	N151-R163 PolarHBondContact O-NH2 3.02Å; N151-R163 PolarHBondContact OD1-NH2 3.21Å; A154-R163 VanDerWaalsContact CB-NH2 3.27Å; A154-R163 WeakPolarHBondContact O-CG 3.42Å; A154-R163 PolarHBondContact O-NE 3.17Å; A154-R163 VanDerWaalsContact O-NE 3.16Å; N155-R163 PolarHBondContact OD1-NE 3.12Å; N155-R163 PolarHBondContact OD1-NH2 2.71Å; N155-R163 VanDerWaalsContact OD1-NH2 3.13Å; M161-R163 PolarHBondContact O-N 3.08Å; R163-R165 PolarHBondContact O-N 3.27Å; R163-R165 VanDerWaalsContact O-N 3.17Å; R163-I166 WeakPolarHBondContact O-CB 3.45Å; R163-I166 WeakPolarHBondContact O-CG1 3.33Å; R163-I166 PolarHBondContact O-N 2.95Å; R163-I166 VanDerWaalsContact O-N 3.07Å
164	N	95.9	Very high	96.6	Very high	144 Å²	144	49.1 Å²	49.1	77%	0.77	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-68.2	-14	-179.6	-60.1	-43.7	0	0	0	113	D162 I166	D162-N164 PolarHBondContact O-N 3.04Å; D162-N164 PolarHBondContact OD1-N 3.07Å; D162-N164 PolarHBondContact OD1-ND2 3.09Å; N164-I166 VanDerWaalsContact C-N 3.26Å
165	R	95.9	Very high	96.1	Very high	94 Å²	94	51.3 Å²	51.3	36%	0.355	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-74.8	-17.6	174	-61.3	179.1	64.3	174.5	2.6	112.6	D162 R163 K167 F337 H338	D162-R165 HydrophobicContact CB-CG 4.04Å; D162-R165 VanDerWaalsContact O-CB 3.31Å; D162-R165 WeakPolarHBondContact O-CB 3.45Å; D162-R165 PolarHBondContact O-N 2.97Å; D162-R165 VanDerWaalsContact O-N 3.08Å; R163-R165 PolarHBondContact O-N 3.27Å; R163-R165 VanDerWaalsContact O-N 3.17Å; R165-K167 PolarHBondContact O-N 2.78Å; R165-F337 CarbonylContact O-C 3.55Å; R165-F337 WeakPolarHBondContact O-CA 3.12Å; R165-F337 VanDerWaalsContact O-CB 3.3Å; R165-F337 WeakPolarHBondContact O-CB 3.49Å; R165-H338 PolarHBondContact NE-O 3.05Å; R165-H338 PolarHBondContact NH2-O 3.21Å; R165-H338 PolarHBondContact NH2-OXT 3.2Å; R165-H338 PolarHBondContact O-N 3.38Å
166	I	97.6	Very high	95.7	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118	-179.1	-60.4	171.5	0	0	0	108.9	Y150 A154 F157 R163 N164 I169 I335	Y150-I166 WeakPolarHBondContact OH-CG2 3.25Å; A154-I166 HydrophobicContact CB-CD1 3.65Å; F157-I166 HydrophobicContact CB-CD1 4.21Å; F157-I166 HydrophobicContact CD1-CD1 3.7Å; F157-I166 HydrophobicContact CD1-CG1 3.7Å; F157-I166 HydrophobicContact CE1-CD1 4.28Å; F157-I166 HydrophobicContact CE1-CG1 3.75Å; F157-I166 HydrophobicContact CG-CD1 4.07Å; F157-I166 HydrophobicContact CG-CG1 4.25Å; F157-I166 HydrophobicContact CZ-CG1 4.36Å; R163-I166 WeakPolarHBondContact O-CB 3.45Å; R163-I166 WeakPolarHBondContact O-CG1 3.33Å; R163-I166 PolarHBondContact O-N 2.95Å; R163-I166 VanDerWaalsContact O-N 3.07Å; N164-I166 VanDerWaalsContact C-N 3.26Å; I166-I169 HydrophobicContact CD1-CD1 4.43Å; I166-I169 HydrophobicContact CG2-CD1 4.19Å; I166-I169 HydrophobicContact CG2-CG1 3.76Å; I166-I335 HydrophobicContact CG1-CG2 4.46Å; I166-I335 HydrophobicContact CG2-CG2 4.38Å
167	K	95.6	Very high	95.5	Very high	100 Å²	100	50 Å²	50	44%	0.435	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-46.6	173.6	-178.9	178.3	179.7	175.1	0	111	R165 Y274 D336	R165-K167 PolarHBondContact O-N 2.78Å; K167-Y274 HydrophobicContact CD-CD1 4.04Å; K167-Y274 HydrophobicContact CD-CD2 4.32Å; K167-Y274 HydrophobicContact CD-CE1 4.49Å; K167-Y274 HydrophobicContact CD-CG 3.94Å; K167-D336 WeakPolarHBondContact CA-O 3.35Å; K167-D336 HydrophobicContact CB-CB 4.35Å; K167-D336 WeakPolarHBondContact CB-O 3.34Å; K167-D336 PolarHBondContact N-O 3.14Å
168	R	96.3	Very high	95.1	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	159.5	174.4	60.4	177.7	178.8	-177.5	4.5	111.2	Q170 D336	R168-Q170 HydrophobicContact CG-CG 4.46Å; R168-Q170 VanDerWaalsContact NE-OE1 3.13Å; R168-D336 HydrophobicContact CG-CB 3.85Å; R168-D336 IonicContact CZ-OD2 3.23Å; R168-D336 VanDerWaalsContact CZ-OD2 3.24Å; R168-D336 PolarHBondContact N-O 3.03Å; R168-D336 IonicContact NE-OD2 2.73Å; R168-D336 PolarHBondContact NE-OD2 3.37Å; R168-D336 IonicContact NH2-OD2 3.64Å; R168-D336 PolarHBondContact NH2-OD2 3.34Å; R168-D336 PolarHBondContact O-N 2.9Å
169	I	98.1	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.6	171.2	-56.9	175.2	0	0	0	106.6	L143 Y150 V153 A154 I166 Y333 I335	L143-I169 HydrophobicContact CD1-CB 4.47Å; L143-I169 HydrophobicContact CD1-CG2 3.82Å; L143-I169 HydrophobicContact CG-CG2 4.41Å; L143-I169 PolarHBondContact N-O 2.85Å; Y150-I169 HydrophobicContact CD1-CD1 4.35Å; Y150-I169 HydrophobicContact CD2-CB 3.93Å; Y150-I169 HydrophobicContact CD2-CD1 3.72Å; Y150-I169 HydrophobicContact CD2-CG1 4Å; Y150-I169 HydrophobicContact CE1-CD1 4.24Å; Y150-I169 HydrophobicContact CE2-CB 3.98Å; Y150-I169 HydrophobicContact CE2-CD1 3.62Å; Y150-I169 HydrophobicContact CE2-CG1 3.68Å; Y150-I169 HydrophobicContact CG-CD1 4.08Å; V153-I169 HydrophobicContact CB-CD1 3.94Å; V153-I169 HydrophobicContact CB-CG2 4.24Å; V153-I169 HydrophobicContact CG1-CD1 3.79Å; V153-I169 HydrophobicContact CG1-CG1 4.43Å; V153-I169 HydrophobicContact CG1-CG2 3.81Å; A154-I169 HydrophobicContact CB-CD1 3.94Å; I166-I169 HydrophobicContact CD1-CD1 4.43Å; I166-I169 HydrophobicContact CG2-CD1 4.19Å; I166-I169 HydrophobicContact CG2-CG1 3.76Å; I169-Y333 HydrophobicContact CG2-CD1 4.19Å; I169-I335 HydrophobicContact CG1-CG1 4.46Å; I169-I335 HydrophobicContact CG1-CG2 4.47Å; I169-I335 HydrophobicContact CG2-CG1 4.5Å
170	Q	97.5	Very high	94	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	177.7	-56.8	-177.4	-100.3	0	0	108.8	L140 I141 R168 Y333 L334	L140-Q170 HydrophobicContact CB-CB 4.3Å; L140-Q170 HydrophobicContact CD2-CB 4.43Å; I141-Q170 CarbonylContact O-C 3.46Å; I141-Q170 VanDerWaalsContact O-CA 3.31Å; I141-Q170 WeakPolarHBondContact O-CA 3.49Å; R168-Q170 HydrophobicContact CG-CG 4.46Å; R168-Q170 VanDerWaalsContact NE-OE1 3.13Å; Q170-Y333 CarbonylContact O-C 3.55Å; Q170-Y333 WeakPolarHBondContact O-CA 3.39Å; Q170-L334 PolarHBondContact N-O 2.87Å; Q170-L334 PolarHBondContact O-N 3.49Å
171	R	96.8	Very high	93.8	Very high	4 Å²	4	47 Å²	47	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.3	168.6	179.4	175.2	65.2	-130.5	5.1	109.4	H128 L140 I141 L143 E149 Q173 Y333	H128-R171 WeakPolarHBondContact CD2-CD 3.32Å; H128-R171 PolarHBondContact O-NH1 2.57Å; H128-R171 PolarHBondContact O-NH2 3.33Å; L140-R171 CarbonylContact C-O 3.54Å; L140-R171 WeakPolarHBondContact CA-O 3.49Å; I141-R171 HydrophobicContact CB-CB 4.42Å; I141-R171 PolarHBondContact N-O 3.35Å; I141-R171 PolarHBondContact O-N 2.88Å; L143-R171 HydrophobicContact CD2-CB 4Å; L143-R171 HydrophobicContact CG-CB 4.46Å; E149-R171 WeakPolarHBondContact OE1-CD 3.3Å; E149-R171 IonicContact OE1-NH1 3.09Å; E149-R171 PolarHBondContact OE1-NH1 2.99Å; E149-R171 IonicContact OE2-NH1 2.69Å; E149-R171 PolarHBondContact OE2-NH1 2.61Å; R171-Q173 HydrophobicContact CG-CG 4.39Å; R171-Q173 VanDerWaalsContact NE-OE1 3.15Å; R171-Y333 HydrophobicContact CB-CD1 4.03Å; R171-Y333 HydrophobicContact CB-CE1 3.87Å; R171-Y333 HydrophobicContact CG-CD1 4.45Å; R171-Y333 HydrophobicContact CG-CE1 4.05Å
172	I	96.6	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.6	173.7	-61.5	154.3	0	0	0	107.2	Q139 L140 N174 F278 Y330 P331 E332 L334	Q139-I172 WeakPolarHBondContact O-CA 3.34Å; L140-I172 HydrophobicContact CD2-CB 4.43Å; L140-I172 HydrophobicContact CD2-CG1 3.53Å; I172-N174 HydrophobicContact CG2-CB 4.42Å; I172-F278 HydrophobicContact CD1-CD1 3.7Å; I172-F278 HydrophobicContact CD1-CE1 3.52Å; I172-Y330 PolarHBondContact O-OH 2.76Å; I172-Y330 VanDerWaalsContact O-OH 3.04Å; I172-P331 VanDerWaalsContact CB-O 3.24Å; I172-P331 WeakPolarHBondContact CB-O 3.21Å; I172-P331 HydrophobicContact CD1-CB 4.02Å; I172-P331 WeakPolarHBondContact CD1-O 3.32Å; I172-E332 PolarHBondContact N-O 3.23Å; I172-L334 HydrophobicContact CD1-CB 4.26Å
173	Q	92.6	Very high	92.9	Very high	3 Å²	3	50 Å²	50	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	96.7	172.1	-61.2	-174.7	166.8	0	0	108	W129 E130 Y138 Q139 I141 R171	W129-Q173 HydrophobicContact CD2-CB 4.18Å; W129-Q173 HydrophobicContact CD2-CG 3.83Å; W129-Q173 HydrophobicContact CE3-CB 4.06Å; W129-Q173 HydrophobicContact CE3-CG 4.17Å; W129-Q173 HydrophobicContact CG-CG 4.04Å; W129-Q173 HydrophobicContact CH2-CB 4.46Å; W129-Q173 HydrophobicContact CZ3-CB 4.18Å; E130-Q173 PolarHBondContact O-NE2 2.83Å; E130-Q173 PolarHBondContact O-OE1 3.29Å; Y138-Q173 CarbonylContact C-O 3.54Å; Y138-Q173 VanDerWaalsContact CA-O 3.23Å; Y138-Q173 WeakPolarHBondContact CA-O 3.34Å; Q139-Q173 HydrophobicContact CB-CB 4.4Å; Q139-Q173 PolarHBondContact N-O 2.81Å; Q139-Q173 PolarHBondContact O-N 2.86Å; I141-Q173 HydrophobicContact CG1-CG 3.95Å; R171-Q173 HydrophobicContact CG-CG 4.39Å; R171-Q173 VanDerWaalsContact NE-OE1 3.15Å
174	N	93.1	Very high	92.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	21%	0.214	C	C	.	.			trans	-121.3	109.1	171.2	-177.9	-40.6	0	0	0	108	W129 P137 I172 D176 L177 W178 C215 Y330	W129-N174 WeakPolarHBondContact CH2-O 3.45Å; P137-N174 PolarHBondContact O-ND2 2.94Å; I172-N174 HydrophobicContact CG2-CB 4.42Å; N174-D176 PolarHBondContact OD1-N 3.43Å; N174-L177 HydrophobicContact CB-CB 4.21Å; N174-L177 HydrophobicContact CB-CD1 4.3Å; N174-L177 HydrophobicContact CB-CG 4.34Å; N174-L177 VanDerWaalsContact CG-CG 3.49Å; N174-L177 WeakPolarHBondContact ND2-CD1 3.3Å; N174-L177 WeakPolarHBondContact ND2-CG 3.14Å; N174-L177 WeakPolarHBondContact OD1-CG 3.3Å; N174-L177 PolarHBondContact OD1-N 2.99Å; N174-W178 WeakPolarHBondContact O-CB 3.44Å; N174-W178 PolarHBondContact O-N 3.42Å; N174-W178 VanDerWaalsContact O-N 3.15Å; N174-C215 PolarHBondContact ND2-O 2.66Å; N174-Y330 PolarHBondContact N-OH 3.39Å; N174-Y330 VanDerWaalsContact N-OH 3.08Å; N174-Y330 WeakPolarHBondContact O-CE2 3.3Å; N174-Y330 PolarHBondContact O-OH 2.92Å
175	L	85.9	Confident	92.5	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.246	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-45.9	-173.4	-173.3	64.4	0	0	0	111.4	W129 T134 L177 W178 E179	W129-L175 HydrophobicContact CZ3-CD1 4.24Å; T134-L175 HydrophobicContact CG2-CD2 4.21Å; L175-L177 PolarHBondContact O-N 3.31Å; L175-W178 WeakPolarHBondContact O-CB 3.4Å; L175-W178 PolarHBondContact O-N 3.04Å; L175-W178 VanDerWaalsContact O-N 3.1Å; L175-E179 WeakPolarHBondContact O-CG 3.33Å; L175-E179 PolarHBondContact O-N 3.04Å
176	D	86.8	Confident	92.1	Very high	93 Å²	93	40.5 Å²	40.5	50%	0.497	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-46.3	-178.5	-60.4	-35.7	0	0	0	111.6	N174 W178 E179 F180	N174-D176 PolarHBondContact OD1-N 3.43Å; D176-W178 VanDerWaalsContact C-N 3.29Å; D176-W178 PolarHBondContact O-N 3.47Å; D176-E179 PolarHBondContact O-N 3.34Å; D176-F180 WeakPolarHBondContact O-CD2 3.12Å; D176-F180 WeakPolarHBondContact O-CG 3.31Å; D176-F180 PolarHBondContact O-N 2.81Å
177	L	93.5	Very high	91.6	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-34.5	176.8	-65.3	-173.1	0	0	0	112	N174 L175 F180 F181 N218 Y330 P331	N174-L177 HydrophobicContact CB-CB 4.21Å; N174-L177 HydrophobicContact CB-CD1 4.3Å; N174-L177 HydrophobicContact CB-CG 4.34Å; N174-L177 VanDerWaalsContact CG-CG 3.49Å; N174-L177 WeakPolarHBondContact ND2-CD1 3.3Å; N174-L177 WeakPolarHBondContact ND2-CG 3.14Å; N174-L177 WeakPolarHBondContact OD1-CG 3.3Å; N174-L177 PolarHBondContact OD1-N 2.99Å; L175-L177 PolarHBondContact O-N 3.31Å; L177-F180 HydrophobicContact CD2-CD2 4.28Å; L177-F181 WeakPolarHBondContact O-CB 3.3Å; L177-F181 PolarHBondContact O-N 3.29Å; L177-N218 HydrophobicContact CD1-CB 3.85Å; L177-N218 HydrophobicContact CD2-CB 3.8Å; L177-N218 HydrophobicContact CG-CB 4.47Å; L177-Y330 HydrophobicContact CB-CD2 4.06Å; L177-Y330 HydrophobicContact CB-CE2 3.95Å; L177-P331 HydrophobicContact CD1-CG 4.25Å
178	W	91.4	Very high	91.4	Very high	23 Å²	23	40.1 Å²	40.1	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-66.9	-40.7	175.5	-179.2	-105.3	0	0	0	111.9	P124 P126 W129 N174 L175 D176 F181 C182 Y330	P124-W178 PolarHBondContact O-NE1 2.74Å; P126-W178 HydrophobicContact CG-CD2 3.96Å; P126-W178 VanDerWaalsContact CG-CE2 3.5Å; P126-W178 HydrophobicContact CG-CE3 4.36Å; P126-W178 HydrophobicContact CG-CH2 3.96Å; P126-W178 HydrophobicContact CG-CZ2 3.53Å; P126-W178 HydrophobicContact CG-CZ3 4.36Å; W129-W178 HydrophobicContact CH2-CB 3.72Å; W129-W178 HydrophobicContact CH2-CG 4.06Å; W129-W178 HydrophobicContact CZ2-CB 4.26Å; W129-W178 HydrophobicContact CZ2-CD2 4.44Å; W129-W178 HydrophobicContact CZ2-CG 4.3Å; N174-W178 WeakPolarHBondContact O-CB 3.44Å; N174-W178 PolarHBondContact O-N 3.42Å; N174-W178 VanDerWaalsContact O-N 3.15Å; L175-W178 WeakPolarHBondContact O-CB 3.4Å; L175-W178 PolarHBondContact O-N 3.04Å; L175-W178 VanDerWaalsContact O-N 3.1Å; D176-W178 VanDerWaalsContact C-N 3.29Å; D176-W178 PolarHBondContact O-N 3.47Å; W178-F181 HydrophobicContact CE3-CD1 4.21Å; W178-F181 HydrophobicContact CH2-CD1 4.36Å; W178-F181 HydrophobicContact CH2-CE1 4.4Å; W178-F181 AromaticContact CZ3-CD1 3.96Å; W178-F181 HydrophobicContact CZ3-CD1 3.96Å; W178-F181 HydrophobicContact CZ3-CE1 4.21Å; W178-F181 PolarHBondContact O-N 3.38Å; W178-C182 VanDerWaalsContact CZ2-SG 3.6Å; W178-C182 PolarHBondContact NE1-SG 3.34Å; W178-C182 WeakPolarHBondContact O-CB 3.38Å; W178-C182 PolarHBondContact O-N 2.92Å; W178-C182 PolarHBondContact O-SG 3.49Å; W178-C182 VanDerWaalsContact O-SG 3.34Å; W178-Y330 HydrophobicContact CB-CD2 4.29Å; W178-Y330 HydrophobicContact CB-CE2 3.81Å; W178-Y330 AromaticContact CE3-CD1 3.69Å; W178-Y330 HydrophobicContact CE3-CD1 3.69Å; W178-Y330 AromaticContact CE3-CD2 3.99Å; W178-Y330 HydrophobicContact CE3-CD2 3.99Å; W178-Y330 AromaticContact CE3-CE1 3.86Å; W178-Y330 HydrophobicContact CE3-CE1 3.86Å; W178-Y330 HydrophobicContact CE3-CE2 4.14Å; W178-Y330 AromaticContact CE3-CG 3.77Å; W178-Y330 HydrophobicContact CE3-CG 3.77Å; W178-Y330 AromaticContact CZ3-CD1 3.92Å; W178-Y330 HydrophobicContact CZ3-CD1 3.92Å; W178-Y330 HydrophobicContact CZ3-CE1 4.34Å; W178-Y330 HydrophobicContact CZ3-CG 4.21Å
179	E	84.3	Confident	91	Very high	62 Å²	62	38 Å²	38	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-45.5	175.5	-72	-172.3	179.8	0	0	111.6	I123 L175 D176 F181 C182 R183	I123-E179 HydrophobicContact CD1-CB 4.13Å; I123-E179 HydrophobicContact CD1-CG 4.07Å; I123-E179 HydrophobicContact CG2-CG 4.32Å; L175-E179 WeakPolarHBondContact O-CG 3.33Å; L175-E179 PolarHBondContact O-N 3.04Å; D176-E179 PolarHBondContact O-N 3.34Å; E179-F181 VanDerWaalsContact C-N 3.33Å; E179-F181 PolarHBondContact O-N 2.89Å; E179-C182 PolarHBondContact O-N 3.4Å; E179-R183 VanDerWaalsContact O-CB 3.26Å; E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.34Å
180	F	88.4	Confident	90.5	Very high	88 Å²	88	46.5 Å²	46.5	39%	0.386	22%	0.218	S	C	.	.	H	α-helix	trans	-59.1	-44.7	174.6	-69.2	-42.7	0	0	0	112.2	D176 L177 R183 K184 N327	D176-F180 WeakPolarHBondContact O-CD2 3.12Å; D176-F180 WeakPolarHBondContact O-CG 3.31Å; D176-F180 PolarHBondContact O-N 2.81Å; L177-F180 HydrophobicContact CD2-CD2 4.28Å; F180-R183 PolarHBondContact O-N 2.87Å; F180-K184 WeakPolarHBondContact O-CB 3.47Å; F180-K184 PolarHBondContact O-N 3.36Å; F180-N327 HydrophobicContact CB-CB 4.5Å; F180-N327 WeakPolarHBondContact CB-OD1 3.35Å
181	F	93.5	Very high	90	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-49.7	176.4	177	-93.8	0	0	0	112.3	L177 W178 E179 R183 K184 K185 E199 R281 L283 N327	L177-F181 WeakPolarHBondContact O-CB 3.3Å; L177-F181 PolarHBondContact O-N 3.29Å; W178-F181 HydrophobicContact CE3-CD1 4.21Å; W178-F181 HydrophobicContact CH2-CD1 4.36Å; W178-F181 HydrophobicContact CH2-CE1 4.4Å; W178-F181 AromaticContact CZ3-CD1 3.96Å; W178-F181 HydrophobicContact CZ3-CD1 3.96Å; W178-F181 HydrophobicContact CZ3-CE1 4.21Å; W178-F181 PolarHBondContact O-N 3.38Å; E179-F181 VanDerWaalsContact C-N 3.33Å; E179-F181 PolarHBondContact O-N 2.89Å; F181-R183 PolarHBondContact O-N 3.33Å; F181-K184 PolarHBondContact O-N 3.09Å; F181-K185 HydrophobicContact CE1-CD 4.42Å; F181-K185 WeakPolarHBondContact O-CB 2.95Å; F181-K185 PolarHBondContact O-N 3.03Å; F181-E199 HydrophobicContact CZ-CG 4.48Å; F181-R281 HydrophobicContact CE1-CG 4.17Å; F181-R281 HydrophobicContact CE2-CB 4.48Å; F181-R281 HydrophobicContact CE2-CG 4.17Å; F181-R281 HydrophobicContact CZ-CB 4.3Å; F181-R281 HydrophobicContact CZ-CG 3.56Å; F181-L283 HydrophobicContact CD2-CD1 4.37Å; F181-L283 HydrophobicContact CD2-CG 4.27Å; F181-L283 HydrophobicContact CE1-CD2 4.38Å; F181-L283 HydrophobicContact CE2-CD1 4.07Å; F181-L283 HydrophobicContact CE2-CD2 3.85Å; F181-L283 HydrophobicContact CE2-CG 3.52Å; F181-L283 HydrophobicContact CZ-CD1 4.38Å; F181-L283 HydrophobicContact CZ-CD2 3.54Å; F181-L283 HydrophobicContact CZ-CG 3.78Å; F181-N327 WeakPolarHBondContact CA-O 3.5Å
182	C	87.9	Confident	89.4	Confident	20 Å²	20	53.4 Å²	53.4	14%	0.135	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-43.1	179.6	-75	0	0	0	0	112.1	I123 W178 E179 K184 K185 A186	I123-C182 HydrophobicContact CG2-CB 3.78Å; W178-C182 VanDerWaalsContact CZ2-SG 3.6Å; W178-C182 PolarHBondContact NE1-SG 3.34Å; W178-C182 WeakPolarHBondContact O-CB 3.38Å; W178-C182 PolarHBondContact O-N 2.92Å; W178-C182 PolarHBondContact O-SG 3.49Å; W178-C182 VanDerWaalsContact O-SG 3.34Å; E179-C182 PolarHBondContact O-N 3.4Å; C182-K184 VanDerWaalsContact C-N 3.34Å; C182-K184 PolarHBondContact O-N 2.95Å; C182-K185 WeakPolarHBondContact O-CB 3.2Å; C182-K185 PolarHBondContact O-N 3.11Å; C182-A186 PolarHBondContact O-N 2.98Å
183	R	86.7	Confident	89.1	Confident	145 Å²	145	56.8 Å²	56.8	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.9	-171.3	174.1	60.7	89.2	2.6	111.2	E179 F180 F181 A186 Q187	E179-R183 VanDerWaalsContact O-CB 3.26Å; E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.34Å; F180-R183 PolarHBondContact O-N 2.87Å; F181-R183 PolarHBondContact O-N 3.33Å; R183-A186 PolarHBondContact O-N 2.77Å; R183-Q187 WeakPolarHBondContact O-CB 3.43Å; R183-Q187 PolarHBondContact O-N 2.92Å
184	K	92.5	Very high	88.9	Confident	31 Å²	31	59.5 Å²	59.5	14%	0.135	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-43.7	174.4	-173.9	68.2	-178.5	-170.6	0	111.7	F180 F181 C182 A186 Q187 L188 L283 D325 N327 Q328	F180-K184 WeakPolarHBondContact O-CB 3.47Å; F180-K184 PolarHBondContact O-N 3.36Å; F181-K184 PolarHBondContact O-N 3.09Å; C182-K184 VanDerWaalsContact C-N 3.34Å; C182-K184 PolarHBondContact O-N 2.95Å; K184-A186 PolarHBondContact O-N 3.34Å; K184-Q187 WeakPolarHBondContact O-CB 3.47Å; K184-Q187 PolarHBondContact O-N 3.24Å; K184-L188 HydrophobicContact CG-CD1 4.45Å; K184-L188 WeakPolarHBondContact O-CG 3.4Å; K184-L188 PolarHBondContact O-N 3.19Å; K184-L283 HydrophobicContact CB-CD1 4.21Å; K184-L283 HydrophobicContact CG-CD1 4.02Å; K184-D325 VanDerWaalsContact CE-OD2 3.23Å; K184-D325 WeakPolarHBondContact CE-OD2 3.37Å; K184-D325 IonicContact NZ-OD2 3.74Å; K184-D325 PolarHBondContact NZ-OD2 3.07Å; K184-N327 HydrophobicContact CB-CB 4.01Å; K184-N327 WeakPolarHBondContact CB-O 3.4Å; K184-N327 HydrophobicContact CD-CB 4.28Å; K184-N327 HydrophobicContact CG-CB 4.15Å; K184-N327 WeakPolarHBondContact CG-O 3.25Å; K184-Q328 HydrophobicContact CD-CG 4.46Å; K184-Q328 HydrophobicContact CG-CG 3.94Å
185	K	91.6	Very high	88.4	Confident	51 Å²	51	64.4 Å²	64.4	22%	0.222	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-47	175.2	-172.5	174.6	-179	173.1	0	111.6	F181 C182 L188 K189 E199 L283	F181-K185 HydrophobicContact CE1-CD 4.42Å; F181-K185 WeakPolarHBondContact O-CB 2.95Å; F181-K185 PolarHBondContact O-N 3.03Å; C182-K185 WeakPolarHBondContact O-CB 3.2Å; C182-K185 PolarHBondContact O-N 3.11Å; K185-L188 PolarHBondContact O-N 2.96Å; K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.11Å; K185-E199 WeakPolarHBondContact CE-OE2 3.12Å; K185-E199 IonicContact NZ-OE1 2.73Å; K185-E199 IonicContact NZ-OE2 2.85Å; K185-E199 PolarHBondContact NZ-OE2 2.81Å; K185-L283 HydrophobicContact CB-CD1 3.73Å; K185-L283 HydrophobicContact CB-CD2 4.05Å; K185-L283 HydrophobicContact CD-CD2 4.03Å; K185-L283 HydrophobicContact CG-CD1 4.41Å; K185-L283 HydrophobicContact CG-CD2 3.88Å
186	A	87.2	Confident	88.4	Confident	43 Å²	43	68.3 Å²	68.3	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-40.7	176.1	0	0	0	0	0	112.3	C182 R183 K184 K189 K190	C182-A186 PolarHBondContact O-N 2.98Å; R183-A186 PolarHBondContact O-N 2.77Å; K184-A186 PolarHBondContact O-N 3.34Å; A186-K189 PolarHBondContact O-N 3.21Å; A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 3.04Å; A186-K190 VanDerWaalsContact O-N 3.09Å
187	Q	88.2	Confident	88.7	Confident	103 Å²	103	64.7 Å²	64.7	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-47.2	175.3	-173.8	-170.9	39.8	0	0	111.6	R183 K184 K190 K191	R183-Q187 WeakPolarHBondContact O-CB 3.43Å; R183-Q187 PolarHBondContact O-N 2.92Å; K184-Q187 WeakPolarHBondContact O-CB 3.47Å; K184-Q187 PolarHBondContact O-N 3.24Å; Q187-K190 PolarHBondContact O-N 2.69Å; Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.66Å
188	L	90.4	Very high	88.7	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-42.7	179.6	-71	179.4	0	0	0	111.8	K184 K185 K190 K191 R192 I197 L283 Q328	K184-L188 HydrophobicContact CG-CD1 4.45Å; K184-L188 WeakPolarHBondContact O-CG 3.4Å; K184-L188 PolarHBondContact O-N 3.19Å; K185-L188 PolarHBondContact O-N 2.96Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.14Å; L188-K191 PolarHBondContact O-N 3.08Å; L188-R192 WeakPolarHBondContact O-CB 3.17Å; L188-R192 VanDerWaalsContact O-CG 3.3Å; L188-R192 WeakPolarHBondContact O-CG 3.44Å; L188-R192 PolarHBondContact O-N 3.27Å; L188-I197 HydrophobicContact CB-CD1 3.91Å; L188-I197 HydrophobicContact CB-CG1 3.95Å; L188-I197 HydrophobicContact CD1-CG2 4.47Å; L188-L283 HydrophobicContact CD1-CB 4.08Å; L188-L283 HydrophobicContact CD1-CD1 4.09Å; L188-Q328 HydrophobicContact CD1-CG 4.35Å
189	K	88.8	Confident	89	Confident	51 Å²	51	68.1 Å²	68.1	22%	0.222	35%	0.346	C	S	.	.	H	α-helix	trans	-55	-48.9	173.7	-74	179.8	180	-151.3	0	111.9	K185 A186 R192 G193 V194 P195 I197	K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.11Å; A186-K189 PolarHBondContact O-N 3.21Å; K189-R192 PolarHBondContact O-N 3.1Å; K189-G193 PolarHBondContact O-N 2.85Å; K189-V194 WeakPolarHBondContact CB-O 3.34Å; K189-V194 PolarHBondContact O-N 3.25Å; K189-P195 WeakPolarHBondContact CD-O 3.42Å; K189-P195 VanDerWaalsContact CE-O 3.25Å; K189-P195 WeakPolarHBondContact CE-O 3.38Å; K189-P195 PolarHBondContact NZ-O 2.92Å; K189-I197 HydrophobicContact CB-CG1 4.46Å; K189-I197 HydrophobicContact CG-CG1 3.6Å
190	K	87.3	Confident	89.6	Confident	178 Å²	178	67.9 Å²	67.9	77%	0.774	35%	0.345	S	S	*	.	H	α-helix	trans	-63.1	-46.7	177.6	-71.5	177	-178.4	-178.7	0	112	A186 Q187 L188 R192 G193	A186-K190 WeakPolarHBondContact O-CG 3.4Å; A186-K190 PolarHBondContact O-N 3.04Å; A186-K190 VanDerWaalsContact O-N 3.09Å; Q187-K190 PolarHBondContact O-N 2.69Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.14Å; K190-R192 PolarHBondContact O-N 3.35Å; K190-G193 PolarHBondContact O-N 3.47Å
191	K	86	Confident	90	Very high	114 Å²	114	66.1 Å²	66.1	50%	0.496	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-36.1	-179.9	-176.3	-179	177.6	-176.3	0	112.2	Q187 L188 V305	Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 2.66Å; L188-K191 PolarHBondContact O-N 3.08Å; K191-V305 WeakPolarHBondContact CE-O 3.25Å; K191-V305 PolarHBondContact NZ-O 3.23Å; K191-V305 VanDerWaalsContact NZ-O 3.16Å
192	R	85.2	Confident	90.3	Very high	47 Å²	47	66.1 Å²	66.1	18%	0.177	34%	0.338	C	S	.	.	H	α-helix	trans	-92.3	-13.9	-177.1	-64.6	-65.2	178.7	-155.3	-5.2	113.7	L188 K189 K190 V194 I197 D286 N306 L307 D309	L188-R192 WeakPolarHBondContact O-CB 3.17Å; L188-R192 VanDerWaalsContact O-CG 3.3Å; L188-R192 WeakPolarHBondContact O-CG 3.44Å; L188-R192 PolarHBondContact O-N 3.27Å; K189-R192 PolarHBondContact O-N 3.1Å; K190-R192 PolarHBondContact O-N 3.35Å; R192-V194 HydrophobicContact CB-CG1 4.33Å; R192-V194 HydrophobicContact CB-CG2 3.7Å; R192-V194 PolarHBondContact O-N 2.84Å; R192-I197 HydrophobicContact CB-CD1 4.42Å; R192-I197 HydrophobicContact CG-CD1 4.15Å; R192-D286 IonicContact NE-OD2 3.92Å; R192-N306 PolarHBondContact NH1-OD1 2.92Å; R192-L307 PolarHBondContact NH1-O 2.96Å; R192-L307 PolarHBondContact NH2-O 2.91Å; R192-D309 IonicContact CZ-OD1 3.43Å; R192-D309 IonicContact CZ-OD2 3.65Å; R192-D309 IonicContact NE-OD1 3.18Å; R192-D309 IonicContact NE-OD2 2.93Å; R192-D309 PolarHBondContact NE-OD2 3.37Å; R192-D309 IonicContact NH2-OD1 2.89Å; R192-D309 PolarHBondContact NH2-OD1 2.94Å; R192-D309 IonicContact NH2-OD2 2.66Å; R192-D309 PolarHBondContact NH2-OD2 3.33Å; R192-D309 VanDerWaalsContact NH2-OD2 3.16Å
193	G	88.9	Confident	90.8	Very high	70 Å²	70	65.3 Å²	65.3	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.6	-174.3	0	0	0	0	0	113.2	K189 K190	K189-G193 PolarHBondContact O-N 2.85Å; K190-G193 PolarHBondContact O-N 3.47Å
194	V	88.6	Confident	91.3	Very high	60 Å²	60	59.4 Å²	59.4	36%	0.364	31%	0.311	S	S	.	.			trans	-116.4	146.4	-177.7	-61.4	0	0	0	0	111.5	K189 R192 Q196 I197	K189-V194 WeakPolarHBondContact CB-O 3.34Å; K189-V194 PolarHBondContact O-N 3.25Å; R192-V194 HydrophobicContact CB-CG1 4.33Å; R192-V194 HydrophobicContact CB-CG2 3.7Å; R192-V194 PolarHBondContact O-N 2.84Å; V194-Q196 VanDerWaalsContact C-N 3.31Å; V194-Q196 WeakPolarHBondContact CG2-O 3.41Å; V194-Q196 PolarHBondContact O-N 3.12Å; V194-I197 HydrophobicContact CG2-CD1 3.75Å
195	P	82.8	Confident	91.3	Very high	106 Å²	106	58.4 Å²	58.4	69%	0.688	31%	0.31	S	S	*	.	S	Bend	trans	-73.1	-24.2	-178.8	29.1	-35.4	0	0	0	112.9	K189	K189-P195 WeakPolarHBondContact CD-O 3.42Å; K189-P195 VanDerWaalsContact CE-O 3.25Å; K189-P195 WeakPolarHBondContact CE-O 3.38Å; K189-P195 PolarHBondContact NZ-O 2.92Å
196	Q	86.3	Confident	91.1	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	30%	0.302	S	S	*	.			trans	-136.3	146.5	-178.3	-61.8	-60.4	-11.1	0	0	111.1	V194	V194-Q196 VanDerWaalsContact C-N 3.31Å; V194-Q196 WeakPolarHBondContact CG2-O 3.41Å; V194-Q196 PolarHBondContact O-N 3.12Å
197	I	92.6	Very high	91	Very high	17 Å²	17	54.7 Å²	54.7	9%	0.087	29%	0.287	C	S	.	.			trans	-111.4	141.1	175.6	-69.1	-67.7	0	0	0	107.4	L188 K189 R192 V194 E199 L283	L188-I197 HydrophobicContact CB-CD1 3.91Å; L188-I197 HydrophobicContact CB-CG1 3.95Å; L188-I197 HydrophobicContact CD1-CG2 4.47Å; K189-I197 HydrophobicContact CB-CG1 4.46Å; K189-I197 HydrophobicContact CG-CG1 3.6Å; R192-I197 HydrophobicContact CB-CD1 4.42Å; R192-I197 HydrophobicContact CG-CD1 4.15Å; V194-I197 HydrophobicContact CG2-CD1 3.75Å; I197-E199 PolarHBondContact O-N 2.99Å; I197-L283 HydrophobicContact CG2-CB 4.47Å; I197-L283 HydrophobicContact CG2-CD2 4.44Å
198	N	94.9	Very high	90.7	Very high	57 Å²	57	50.8 Å²	50.8	31%	0.305	27%	0.271	S	S	.	.			trans	-58.6	108.9	172.4	176.3	17.4	0	0	0	109.5	Q200 I284 G285	N198-Q200 PolarHBondContact OD1-NE2 2.83Å; N198-Q200 VanDerWaalsContact OD1-NE2 3.09Å; N198-I284 WeakPolarHBondContact ND2-CG2 3.3Å; N198-I284 PolarHBondContact O-N 3.44Å; N198-G285 PolarHBondContact ND2-O 3.17Å; N198-G285 PolarHBondContact O-N 3.25Å
199	E	96.4	Very high	90.3	Very high	50 Å²	50	51.4 Å²	51.4	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.5	-179	178.5	-178.4	125.6	0	0	108.4	F181 K185 I197 R281 V282 L283	F181-E199 HydrophobicContact CZ-CG 4.48Å; K185-E199 WeakPolarHBondContact CE-OE2 3.12Å; K185-E199 IonicContact NZ-OE1 2.73Å; K185-E199 IonicContact NZ-OE2 2.85Å; K185-E199 PolarHBondContact NZ-OE2 2.81Å; I197-E199 PolarHBondContact O-N 2.99Å; E199-R281 HydrophobicContact CG-CG 3.81Å; E199-R281 WeakPolarHBondContact OE1-CD 3.41Å; E199-R281 VanDerWaalsContact OE1-CG 3.3Å; E199-R281 WeakPolarHBondContact OE1-CG 3.43Å; E199-R281 IonicContact OE1-CZ 3.96Å; E199-R281 IonicContact OE1-NE 2.98Å; E199-R281 IonicContact OE1-NH1 3.61Å; E199-R281 PolarHBondContact OE1-NH1 3.41Å; E199-V282 WeakPolarHBondContact CA-O 3.48Å; E199-L283 HydrophobicContact CB-CD2 4.23Å; E199-L283 HydrophobicContact CG-CD2 4.16Å
200	Q	96.9	Very high	90.2	Very high	57 Å²	57	49.4 Å²	49.4	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.3	-176.5	-59.9	-169.3	23.4	0	0	111.6	N198 L202 V282 I284	N198-Q200 PolarHBondContact OD1-NE2 2.83Å; N198-Q200 VanDerWaalsContact OD1-NE2 3.09Å; Q200-L202 HydrophobicContact CB-CD1 4.37Å; Q200-L202 HydrophobicContact CB-CD2 4.22Å; Q200-L202 HydrophobicContact CB-CG 4.01Å; Q200-V282 PolarHBondContact N-O 3.19Å; Q200-V282 PolarHBondContact O-N 2.84Å; Q200-I284 HydrophobicContact CB-CG1 4.28Å; Q200-I284 HydrophobicContact CG-CG1 4.23Å
201	M	98.3	Very high	90.3	Very high	51 Å²	51	41.7 Å²	41.7	25%	0.251	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.1	166.7	-63.8	-59	-70.5	0	0	108.5	L156 L279 A280 R281 E332 Y333	L156-M201 HydrophobicContact CD1-CB 4.19Å; M201-L279 HydrophobicContact CB-CD1 3.97Å; M201-L279 HydrophobicContact CB-CD2 4.49Å; M201-L279 HydrophobicContact CB-CG 4.29Å; M201-L279 HydrophobicContact CE-CD2 3.87Å; M201-L279 HydrophobicContact CE-CG 3.7Å; M201-A280 CarbonylContact C-O 3.56Å; M201-A280 WeakPolarHBondContact CA-O 3.49Å; M201-R281 HydrophobicContact SD-CB 3.78Å; M201-R281 HydrophobicContact SD-CG 4.09Å; M201-E332 HydrophobicContact CE-CB 4.16Å; M201-E332 WeakPolarHBondContact CE-OE2 3.4Å; M201-Y333 HydrophobicContact CE-CD2 3.89Å; M201-Y333 HydrophobicContact CE-CE2 3.93Å
202	L	98.6	Very high	90.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.2	-174.9	-58.9	171.4	0	0	0	111.8	Q200 F237 R239 A280 V282 I284 F321	Q200-L202 HydrophobicContact CB-CD1 4.37Å; Q200-L202 HydrophobicContact CB-CD2 4.22Å; Q200-L202 HydrophobicContact CB-CG 4.01Å; L202-F237 HydrophobicContact CB-CB 3.68Å; L202-F237 HydrophobicContact CB-CD1 4.2Å; L202-F237 HydrophobicContact CB-CG 4.25Å; L202-F237 HydrophobicContact CD1-CB 3.8Å; L202-F237 HydrophobicContact CG-CB 4.39Å; L202-R239 HydrophobicContact CD2-CB 4.48Å; L202-A280 PolarHBondContact N-O 2.87Å; L202-A280 PolarHBondContact O-N 2.95Å; L202-V282 HydrophobicContact CB-CG2 4.3Å; L202-V282 HydrophobicContact CD1-CB 4.18Å; L202-V282 HydrophobicContact CD1-CG2 4.18Å; L202-I284 HydrophobicContact CD1-CD1 3.74Å; L202-I284 HydrophobicContact CD1-CG1 4.23Å; L202-F321 HydrophobicContact CD1-CB 3.96Å; L202-F321 HydrophobicContact CD1-CD2 3.55Å; L202-F321 HydrophobicContact CD1-CE2 4.14Å; L202-F321 HydrophobicContact CD1-CG 3.76Å; L202-F321 HydrophobicContact CD2-CD2 3.85Å; L202-F321 HydrophobicContact CD2-CE2 3.74Å; L202-F321 HydrophobicContact CG-CD2 4.37Å
203	F	98.6	Very high	90.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.1	-177.2	-65.1	-80.8	0	0	0	112	L156 F157 F237 A238 R239 A241 S244 M277 F278 L279 I335	L156-F203 HydrophobicContact CB-CZ 4.01Å; F157-F203 HydrophobicContact CB-CE1 4.38Å; F157-F203 HydrophobicContact CB-CZ 4.31Å; F157-F203 HydrophobicContact CD2-CE1 4.34Å; F203-F237 WeakPolarHBondContact O-CA 3.45Å; F203-A238 PolarHBondContact N-O 3Å; F203-A238 PolarHBondContact O-N 3.44Å; F203-R239 WeakPolarHBondContact CD2-O 3.34Å; F203-A241 HydrophobicContact CD1-CB 3.96Å; F203-A241 HydrophobicContact CD2-CB 3.9Å; F203-A241 HydrophobicContact CE1-CB 3.89Å; F203-A241 HydrophobicContact CE2-CB 3.83Å; F203-A241 HydrophobicContact CG-CB 3.97Å; F203-A241 HydrophobicContact CZ-CB 3.84Å; F203-S244 WeakPolarHBondContact CB-OG 3.48Å; F203-S244 PolarHBondContact O-OG 2.79Å; F203-M277 HydrophobicContact CD1-SD 3.64Å; F203-M277 HydrophobicContact CE1-SD 4.27Å; F203-M277 HydrophobicContact CG-SD 4.37Å; F203-F278 CarbonylContact C-O 3.5Å; F203-F278 VanDerWaalsContact CA-O 3.28Å; F203-F278 WeakPolarHBondContact CA-O 3.47Å; F203-L279 HydrophobicContact CD1-CB 4.3Å; F203-L279 HydrophobicContact CD1-CD1 3.92Å; F203-L279 HydrophobicContact CD2-CD1 4.27Å; F203-L279 HydrophobicContact CE1-CB 4.21Å; F203-L279 HydrophobicContact CE1-CD1 3.74Å; F203-L279 HydrophobicContact CE1-CG 4.42Å; F203-L279 HydrophobicContact CE2-CD1 4.1Å; F203-L279 HydrophobicContact CG-CD1 4.18Å; F203-L279 HydrophobicContact CZ-CD1 3.82Å; F203-I335 HydrophobicContact CD1-CD1 4.47Å; F203-I335 HydrophobicContact CE1-CD1 3.87Å
204	H	96.9	Very high	90.9	Very high	21 Å²	21	38.2 Å²	38.2	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.8	170.2	-177.7	91.7	0	0	0	110.1	F219 Y236 F237 M277 F278	H204-F219 HydrophobicContact CB-CE1 3.99Å; H204-F219 HydrophobicContact CB-CZ 4.5Å; H204-F219 AromaticContact CD2-CD1 3.84Å; H204-F219 AromaticContact CD2-CE1 3.49Å; H204-F219 VanDerWaalsContact CD2-CE1 3.49Å; H204-F219 WeakPolarHBondContact CD2-CE1 3.32Å; H204-F219 AromaticContact CG-CE1 3.68Å; H204-F219 AromaticContact NE2-CD1 3.89Å; H204-Y236 PolarHBondContact ND1-O 3.48Å; H204-F237 HydrophobicContact CB-CD1 3.82Å; H204-F237 HydrophobicContact CB-CE1 3.68Å; H204-M277 WeakPolarHBondContact O-CA 3.49Å; H204-F278 HydrophobicContact CB-CB 4.34Å; H204-F278 PolarHBondContact N-O 3.32Å; H204-F278 PolarHBondContact O-N 3.4Å
205	G	93.2	Very high	91.2	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.5	174.7	0	0	0	0	0	110.9	S244 F247 C248	G205-S244 WeakPolarHBondContact CA-O 3.43Å; G205-F247 WeakPolarHBondContact O-CB 3.45Å; G205-C248 VanDerWaalsContact CA-SG 3.53Å
206	T	87.9	Confident	91.6	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	17%	0.169	C	C	.	.			trans	-144.7	163.7	177.2	-170.5	0	0	0	0	110.7	F210 V211 I214 F278	T206-F210 WeakPolarHBondContact OG1-CB 3.32Å; T206-V211 HydrophobicContact CG2-CG2 4.18Å; T206-I214 HydrophobicContact CG2-CD1 3.91Å; T206-F278 HydrophobicContact CG2-CD2 3.99Å; T206-F278 HydrophobicContact CG2-CE2 3.72Å
207	S	84.4	Confident	91.8	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.042	17%	0.172	C	C	.	.			trans	-70.1	150.2	168	-54.5	0	0	0	0	110.8	E209 F210 H254	S207-E209 WeakPolarHBondContact CB-OE1 3.28Å; S207-E209 PolarHBondContact O-N 2.97Å; S207-E209 PolarHBondContact OG-OE1 2.86Å; S207-F210 PolarHBondContact O-N 3.43Å; S207-F210 VanDerWaalsContact O-N 3.08Å; S207-H254 PolarHBondContact OG-CE1 3.33Å; S207-H254 PolarHBondContact OG-ND1 3.03Å
208	S	82.6	Confident	91.9	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.3	-179.6	17.2	0	0	0	0	113.6	F210 V211 D251	S208-F210 PolarHBondContact O-N 3.03Å; S208-V211 WeakPolarHBondContact O-CB 3.36Å; S208-V211 PolarHBondContact O-N 2.85Å; S208-V211 VanDerWaalsContact O-N 3.12Å; S208-D251 WeakPolarHBondContact CB-OD1 3.46Å; S208-D251 PolarHBondContact OG-OD1 2.73Å; S208-D251 PolarHBondContact OG-OD2 2.92Å
209	E	81.2	Confident	91.8	Very high	20 Å²	20	30.1 Å²	30.1	9%	0.093	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-55.9	-26.1	175	62.6	-162.3	134.1	0	0	114.7	S207 H254 F258 L265	S207-E209 WeakPolarHBondContact CB-OE1 3.28Å; S207-E209 PolarHBondContact O-N 2.97Å; S207-E209 PolarHBondContact OG-OE1 2.86Å; E209-H254 WeakPolarHBondContact OE1-CB 3.41Å; E209-H254 IonicContact OE1-CG 3.71Å; E209-H254 IonicContact OE1-ND1 3.09Å; E209-H254 PolarHBondContact OE1-ND1 3.22Å; E209-F258 HydrophobicContact CB-CE2 3.84Å; E209-F258 HydrophobicContact CB-CZ 3.89Å; E209-F258 VanDerWaalsContact CD-CE2 3.5Å; E209-F258 HydrophobicContact CG-CE2 3.49Å; E209-F258 VanDerWaalsContact CG-CE2 3.49Å; E209-F258 HydrophobicContact CG-CZ 3.83Å; E209-F258 WeakPolarHBondContact OE2-CD2 3.4Å; E209-F258 WeakPolarHBondContact OE2-CE2 3.4Å; E209-L265 HydrophobicContact CB-CD1 4.38Å
210	F	85.7	Confident	91.3	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.035	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-95.9	-7.9	178.9	-61.9	-70.8	0	0	0	113.8	T206 S207 S208 E212 A213 I214 I223 N224 T257 F258	T206-F210 WeakPolarHBondContact OG1-CB 3.32Å; S207-F210 PolarHBondContact O-N 3.43Å; S207-F210 VanDerWaalsContact O-N 3.08Å; S208-F210 PolarHBondContact O-N 3.03Å; F210-E212 PolarHBondContact O-N 2.9Å; F210-A213 PolarHBondContact O-N 2.73Å; F210-I214 HydrophobicContact CB-CD1 4.14Å; F210-I214 VanDerWaalsContact O-CG1 3.3Å; F210-I214 WeakPolarHBondContact O-CG1 3.37Å; F210-I214 PolarHBondContact O-N 2.84Å; F210-I223 HydrophobicContact CD1-CG2 4.4Å; F210-I223 HydrophobicContact CE1-CG2 4.09Å; F210-N224 VanDerWaalsContact CD1-OD1 3.27Å; F210-N224 WeakPolarHBondContact CD1-OD1 3.39Å; F210-T257 HydrophobicContact CZ-CG2 4.09Å; F210-F258 HydrophobicContact CD1-CE1 4.33Å; F210-F258 HydrophobicContact CD1-CE2 4.12Å; F210-F258 AromaticContact CD1-CZ 3.52Å; F210-F258 HydrophobicContact CD1-CZ 3.52Å; F210-F258 HydrophobicContact CE1-CD2 4.48Å; F210-F258 HydrophobicContact CE1-CE1 4.07Å; F210-F258 AromaticContact CE1-CE2 3.48Å; F210-F258 HydrophobicContact CE1-CE2 3.48Å; F210-F258 VanDerWaalsContact CE1-CE2 3.48Å; F210-F258 AromaticContact CE1-CZ 3.25Å; F210-F258 HydrophobicContact CE1-CZ 3.25Å; F210-F258 HydrophobicContact CE2-CE2 4.16Å; F210-F258 HydrophobicContact CE2-CZ 4.47Å; F210-F258 HydrophobicContact CG-CZ 4.24Å; F210-F258 HydrophobicContact CZ-CD2 4.43Å; F210-F258 AromaticContact CZ-CE2 3.49Å; F210-F258 HydrophobicContact CZ-CE2 3.49Å; F210-F258 VanDerWaalsContact CZ-CE2 3.49Å; F210-F258 AromaticContact CZ-CZ 3.79Å; F210-F258 HydrophobicContact CZ-CZ 3.79Å
211	V	89.4	Confident	90.5	Very high	17 Å²	17	29.3 Å²	29.3	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-48.6	-173.4	169.4	0	0	0	0	111.1	T206 S208 I214 C215 F278 L334	T206-V211 HydrophobicContact CG2-CG2 4.18Å; S208-V211 WeakPolarHBondContact O-CB 3.36Å; S208-V211 PolarHBondContact O-N 2.85Å; S208-V211 VanDerWaalsContact O-N 3.12Å; V211-I214 PolarHBondContact O-N 2.85Å; V211-C215 PolarHBondContact O-N 3.23Å; V211-C215 PolarHBondContact O-SG 2.82Å; V211-F278 HydrophobicContact CB-CZ 4.38Å; V211-F278 HydrophobicContact CG1-CZ 4.03Å; V211-F278 HydrophobicContact CG2-CE2 4.2Å; V211-F278 HydrophobicContact CG2-CZ 4.45Å; V211-L334 HydrophobicContact CG1-CD1 3.91Å; V211-L334 HydrophobicContact CG1-CD2 3.68Å; V211-L334 HydrophobicContact CG1-CG 4.47Å; V211-L334 HydrophobicContact CG2-CD1 4.31Å
212	E	90.2	Very high	89.7	Confident	120 Å²	120	34.9 Å²	34.9	56%	0.561	17%	0.169	S	C	*	.	H	α-helix	trans	-63	-45	179.4	-179.8	168.2	-137.1	0	0	111.5	F210 I214 C215 I216	F210-E212 PolarHBondContact O-N 2.9Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.21Å; E212-C215 PolarHBondContact O-N 2.73Å; E212-I216 HydrophobicContact CG-CD1 3.79Å; E212-I216 WeakPolarHBondContact O-CG1 3.35Å; E212-I216 PolarHBondContact O-N 2.99Å
213	A	90.7	Very high	88.2	Confident	36 Å²	36	37.7 Å²	37.7	30%	0.298	18%	0.183	S	C	.	.	H	α-helix	trans	-59	-42.3	177.5	0	0	0	0	0	112	F210 I216 H217	F210-A213 PolarHBondContact O-N 2.73Å; A213-I216 PolarHBondContact O-N 2.83Å; A213-H217 WeakPolarHBondContact O-CA 3.34Å; A213-H217 WeakPolarHBondContact O-CB 3.45Å; A213-H217 PolarHBondContact O-N 2.87Å
214	I	93.8	Very high	86.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-40.9	177.5	-69.6	163.4	0	0	0	111.2	T206 F210 V211 E212 I216 N218 F219 F278 P331	T206-I214 HydrophobicContact CG2-CD1 3.91Å; F210-I214 HydrophobicContact CB-CD1 4.14Å; F210-I214 VanDerWaalsContact O-CG1 3.3Å; F210-I214 WeakPolarHBondContact O-CG1 3.37Å; F210-I214 PolarHBondContact O-N 2.84Å; V211-I214 PolarHBondContact O-N 2.85Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.21Å; I214-I216 VanDerWaalsContact C-N 3.3Å; I214-I216 PolarHBondContact O-N 3.19Å; I214-N218 WeakPolarHBondContact O-CA 3.45Å; I214-N218 PolarHBondContact O-N 3.16Å; I214-F219 HydrophobicContact CD1-CD1 4.07Å; I214-F219 HydrophobicContact CD1-CE1 4.14Å; I214-F219 HydrophobicContact CG1-CD1 4.22Å; I214-F219 HydrophobicContact CG2-CD1 3.85Å; I214-F219 HydrophobicContact CG2-CD2 4.33Å; I214-F219 HydrophobicContact CG2-CE1 3.6Å; I214-F219 HydrophobicContact CG2-CE2 4.1Å; I214-F219 HydrophobicContact CG2-CG 4.2Å; I214-F219 HydrophobicContact CG2-CZ 3.74Å; I214-F278 HydrophobicContact CB-CE1 4.47Å; I214-F278 HydrophobicContact CB-CE2 4.07Å; I214-F278 HydrophobicContact CB-CZ 3.78Å; I214-F278 HydrophobicContact CD1-CD2 4.31Å; I214-F278 HydrophobicContact CD1-CE2 3.71Å; I214-F278 HydrophobicContact CD1-CZ 4.32Å; I214-F278 HydrophobicContact CG2-CD1 4.33Å; I214-F278 HydrophobicContact CG2-CD2 4.36Å; I214-F278 HydrophobicContact CG2-CE1 3.8Å; I214-F278 HydrophobicContact CG2-CE2 3.86Å; I214-F278 HydrophobicContact CG2-CZ 3.54Å; I214-P331 HydrophobicContact CG2-CB 4.19Å; I214-P331 HydrophobicContact CG2-CG 4.5Å
215	C	94.5	Very high	84.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-33.5	178.2	-71.3	0	0	0	0	113.1	Y138 N174 V211 E212	Y138-C215 HydrophobicContact CD1-CB 3.98Å; Y138-C215 HydrophobicContact CD2-CB 3.55Å; Y138-C215 HydrophobicContact CE1-CB 3.91Å; Y138-C215 HydrophobicContact CE2-CB 3.41Å; Y138-C215 VanDerWaalsContact CE2-CB 3.41Å; Y138-C215 HydrophobicContact CG-CB 3.82Å; N174-C215 PolarHBondContact ND2-O 2.66Å; V211-C215 PolarHBondContact O-N 3.23Å; V211-C215 PolarHBondContact O-SG 2.82Å; E212-C215 PolarHBondContact O-N 2.73Å
216	I	91.5	Very high	82.5	Confident	48 Å²	48	43 Å²	43	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-85.9	-48.6	-179.9	-60.1	170.3	0	0	0	111.2	P137 Y138 E212 A213 I214	P137-I216 HydrophobicContact CB-CG1 4.46Å; P137-I216 HydrophobicContact CB-CG2 4.16Å; P137-I216 HydrophobicContact CG-CG1 4.33Å; Y138-I216 HydrophobicContact CD1-CG1 3.61Å; Y138-I216 HydrophobicContact CE1-CD1 4.06Å; Y138-I216 HydrophobicContact CE1-CG1 3.43Å; Y138-I216 VanDerWaalsContact CE1-CG1 3.43Å; E212-I216 HydrophobicContact CG-CD1 3.79Å; E212-I216 WeakPolarHBondContact O-CG1 3.35Å; E212-I216 PolarHBondContact O-N 2.99Å; A213-I216 PolarHBondContact O-N 2.83Å; I214-I216 VanDerWaalsContact C-N 3.3Å; I214-I216 PolarHBondContact O-N 3.19Å
217	H	90.4	Very high	81.1	Confident	142 Å²	142	48.2 Å²	48.2	66%	0.657	24%	0.241	S	C	*	.	H	α-helix	trans	-111.6	2.4	-165.4	-58	-60.4	0	0	0	114.4	A213	A213-H217 WeakPolarHBondContact O-CA 3.34Å; A213-H217 WeakPolarHBondContact O-CB 3.45Å; A213-H217 PolarHBondContact O-N 2.87Å
218	N	94.6	Very high	79.8	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.032	27%	0.267	C	S	.	.			trans	67.4	-177.1	-172.1	-147	-20.6	0	0	0	112.8	L177 I214 D220 A326 I329	L177-N218 HydrophobicContact CD1-CB 3.85Å; L177-N218 HydrophobicContact CD2-CB 3.8Å; L177-N218 HydrophobicContact CG-CB 4.47Å; I214-N218 WeakPolarHBondContact O-CA 3.45Å; I214-N218 PolarHBondContact O-N 3.16Å; N218-D220 PolarHBondContact O-N 2.97Å; N218-A326 PolarHBondContact ND2-O 3.06Å; N218-A326 VanDerWaalsContact ND2-O 3.1Å; N218-I329 PolarHBondContact ND2-O 2.7Å
219	F	92.8	Very high	79.5	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.018	27%	0.266	C	S	.	.			trans	-74.3	125.1	-179.2	-57.6	-90.2	0	0	0	112.1	H204 I214 T235 F237 F278 A280 I329 P331	H204-F219 HydrophobicContact CB-CE1 3.99Å; H204-F219 HydrophobicContact CB-CZ 4.5Å; H204-F219 AromaticContact CD2-CD1 3.84Å; H204-F219 AromaticContact CD2-CE1 3.49Å; H204-F219 VanDerWaalsContact CD2-CE1 3.49Å; H204-F219 WeakPolarHBondContact CD2-CE1 3.32Å; H204-F219 AromaticContact CG-CE1 3.68Å; H204-F219 AromaticContact NE2-CD1 3.89Å; I214-F219 HydrophobicContact CD1-CD1 4.07Å; I214-F219 HydrophobicContact CD1-CE1 4.14Å; I214-F219 HydrophobicContact CG1-CD1 4.22Å; I214-F219 HydrophobicContact CG2-CD1 3.85Å; I214-F219 HydrophobicContact CG2-CD2 4.33Å; I214-F219 HydrophobicContact CG2-CE1 3.6Å; I214-F219 HydrophobicContact CG2-CE2 4.1Å; I214-F219 HydrophobicContact CG2-CG 4.2Å; I214-F219 HydrophobicContact CG2-CZ 3.74Å; F219-T235 HydrophobicContact CB-CG2 3.63Å; F219-T235 HydrophobicContact CD1-CG2 4.14Å; F219-T235 HydrophobicContact CG-CG2 3.99Å; F219-F237 HydrophobicContact CD1-CZ 4.37Å; F219-F237 HydrophobicContact CD2-CZ 4.02Å; F219-F237 HydrophobicContact CE1-CE1 4.36Å; F219-F237 HydrophobicContact CE1-CZ 4.42Å; F219-F237 HydrophobicContact CE2-CE1 4.26Å; F219-F237 HydrophobicContact CE2-CZ 4.09Å; F219-F237 HydrophobicContact CG-CZ 4.18Å; F219-F237 HydrophobicContact CZ-CE1 4.12Å; F219-F237 HydrophobicContact CZ-CZ 4.29Å; F219-F278 HydrophobicContact CE1-CB 4.33Å; F219-F278 HydrophobicContact CE1-CD2 4.17Å; F219-F278 HydrophobicContact CE1-CG 4.21Å; F219-F278 HydrophobicContact CZ-CB 3.98Å; F219-F278 HydrophobicContact CZ-CD1 4.36Å; F219-F278 HydrophobicContact CZ-CD2 4.42Å; F219-F278 HydrophobicContact CZ-CG 4.01Å; F219-A280 HydrophobicContact CE2-CB 4.06Å; F219-A280 HydrophobicContact CZ-CB 4.1Å; F219-I329 HydrophobicContact CB-CD1 4.35Å; F219-I329 HydrophobicContact CD2-CB 4.11Å; F219-I329 HydrophobicContact CD2-CD1 4.27Å; F219-I329 HydrophobicContact CD2-CG2 3.33Å; F219-I329 HydrophobicContact CE2-CG2 3.34Å; F219-I329 HydrophobicContact CG-CG2 4.48Å; F219-I329 HydrophobicContact CZ-CG2 4.49Å; F219-P331 HydrophobicContact CE2-CB 3.71Å; F219-P331 HydrophobicContact CE2-CG 4.32Å; F219-P331 HydrophobicContact CZ-CB 3.91Å
220	D	85.4	Confident	79.9	Confident	32 Å²	32	53.6 Å²	53.6	17%	0.171	29%	0.287	C	S	.	.			trans	-124.5	105.2	172.5	-166.7	-16.7	0	0	0	111.2	N218 R222 I223 N224	N218-D220 PolarHBondContact O-N 2.97Å; D220-R222 PolarHBondContact O-N 3.47Å; D220-R222 VanDerWaalsContact O-N 3.14Å; D220-R222 WeakPolarHBondContact OD1-CB 3.29Å; D220-R222 WeakPolarHBondContact OD1-CG 3.47Å; D220-R222 IonicContact OD1-CZ 3.34Å; D220-R222 PolarHBondContact OD1-N 2.86Å; D220-R222 IonicContact OD1-NE 3.6Å; D220-R222 PolarHBondContact OD1-NE 3.03Å; D220-R222 IonicContact OD1-NH2 2.7Å; D220-R222 IonicContact OD2-CZ 2.83Å; D220-R222 IonicContact OD2-NE 2.72Å; D220-R222 PolarHBondContact OD2-NE 2.9Å; D220-R222 IonicContact OD2-NH2 2.72Å; D220-R222 PolarHBondContact OD2-NH2 3.2Å; D220-I223 HydrophobicContact CB-CB 4.36Å; D220-I223 HydrophobicContact CB-CD1 4.02Å; D220-I223 HydrophobicContact CB-CG1 4.12Å; D220-I223 PolarHBondContact O-N 3.46Å; D220-N224 PolarHBondContact O-N 2.88Å
221	W	80.6	Confident	80.2	Confident	58 Å²	58	55.4 Å²	55.4	22%	0.22	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17	178.3	64.5	-93	0	0	0	113.3	I223 I226 K233 G234 M295	W221-I223 VanDerWaalsContact C-N 3.32Å; W221-I226 HydrophobicContact CE3-CD1 3.68Å; W221-I226 HydrophobicContact CE3-CG1 3.94Å; W221-I226 HydrophobicContact CZ3-CD1 3.55Å; W221-I226 HydrophobicContact CZ3-CG1 4.32Å; W221-K233 HydrophobicContact CE3-CB 4.38Å; W221-K233 HydrophobicContact CH2-CB 4.08Å; W221-K233 HydrophobicContact CZ3-CB 3.98Å; W221-G234 WeakPolarHBondContact CB-O 3.4Å; W221-M295 HydrophobicContact CH2-CE 3.79Å; W221-M295 HydrophobicContact CZ2-CE 4.32Å
222	R	79.7	Confident	80.4	Confident	168 Å²	168	54.6 Å²	54.6	63%	0.634	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.6	175.9	-56.1	170.3	-66.9	-179.5	2.7	112	D220	D220-R222 PolarHBondContact O-N 3.47Å; D220-R222 VanDerWaalsContact O-N 3.14Å; D220-R222 WeakPolarHBondContact OD1-CB 3.29Å; D220-R222 WeakPolarHBondContact OD1-CG 3.47Å; D220-R222 IonicContact OD1-CZ 3.34Å; D220-R222 PolarHBondContact OD1-N 2.86Å; D220-R222 IonicContact OD1-NE 3.6Å; D220-R222 PolarHBondContact OD1-NE 3.03Å; D220-R222 IonicContact OD1-NH2 2.7Å; D220-R222 IonicContact OD2-CZ 2.83Å; D220-R222 IonicContact OD2-NE 2.72Å; D220-R222 PolarHBondContact OD2-NE 2.9Å; D220-R222 IonicContact OD2-NH2 2.72Å; D220-R222 PolarHBondContact OD2-NH2 3.2Å
223	I	67.4	Low	80.5	Confident	60 Å²	60	52.5 Å²	52.5	31%	0.308	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-41.3	-179.2	-59	177.5	0	0	0	110.5	F210 D220 W221 G225 T257	F210-I223 HydrophobicContact CD1-CG2 4.4Å; F210-I223 HydrophobicContact CE1-CG2 4.09Å; D220-I223 HydrophobicContact CB-CB 4.36Å; D220-I223 HydrophobicContact CB-CD1 4.02Å; D220-I223 HydrophobicContact CB-CG1 4.12Å; D220-I223 PolarHBondContact O-N 3.46Å; W221-I223 VanDerWaalsContact C-N 3.32Å; I223-G225 PolarHBondContact O-N 3.29Å; I223-G225 VanDerWaalsContact O-N 3.07Å; I223-T257 WeakPolarHBondContact O-CG2 3.45Å
224	N	57.7	Low	80.6	Confident	29 Å²	29	51 Å²	51	16%	0.155	27%	0.267	C	S	.	.	S	Bend	trans	-77.4	4.9	-171	-65.2	-12.7	0	0	0	114.5	F210 D220	F210-N224 VanDerWaalsContact CD1-OD1 3.27Å; F210-N224 WeakPolarHBondContact CD1-OD1 3.39Å; D220-N224 PolarHBondContact O-N 2.88Å
225	G	55.2	Low	80.7	Confident	35 Å²	35	51.3 Å²	51.3	36%	0.361	27%	0.269	S	S	.	.			trans	73	130.8	180	0	0	0	0	0	112.9	I223 H227	I223-G225 PolarHBondContact O-N 3.29Å; I223-G225 VanDerWaalsContact O-N 3.07Å; G225-H227 PolarHBondContact O-N 3.25Å; G225-H227 VanDerWaalsContact O-N 3.1Å
226	I	57.2	Low	80.7	Confident	82 Å²	82	54 Å²	54	42%	0.421	28%	0.279	S	S	.	.			trans	-85.8	83.5	178.8	-51.4	175.8	0	0	0	109.1	W221 G228 A229 K233	W221-I226 HydrophobicContact CE3-CD1 3.68Å; W221-I226 HydrophobicContact CE3-CG1 3.94Å; W221-I226 HydrophobicContact CZ3-CD1 3.55Å; W221-I226 HydrophobicContact CZ3-CG1 4.32Å; I226-G228 PolarHBondContact O-N 3.45Å; I226-A229 HydrophobicContact CG2-CB 3.13Å; I226-K233 HydrophobicContact CD1-CG 4.31Å
227	H	57.1	Low	81	Confident	120 Å²	120	51.9 Å²	51.9	56%	0.556	27%	0.268	S	S	*	.	S	Bend	trans	-80.9	101.6	171.3	-66.4	-43.5	0	0	0	109.9	G225	G225-H227 PolarHBondContact O-N 3.25Å; G225-H227 VanDerWaalsContact O-N 3.1Å
228	G	58.3	Low	81.3	Confident	56 Å²	56	45.1 Å²	45.1	58%	0.577	24%	0.237	S	C	*	.			trans	63.7	58.8	172.5	0	0	0	0	0	113.5	I226 V230	I226-G228 PolarHBondContact O-N 3.45Å; G228-V230 WeakPolarHBondContact O-CG2 3.2Å; G228-V230 PolarHBondContact O-N 2.91Å
229	A	76.6	Confident	81.5	Confident	17 Å²	17	49.1 Å²	49.1	14%	0.14	25%	0.252	C	S	.	.			trans	-67.8	71.6	172.5	0	0	0	0	0	112.2	I226 G232 K233 Y236 S292	I226-A229 HydrophobicContact CG2-CB 3.13Å; A229-G232 VanDerWaalsContact CB-O 3.3Å; A229-G232 WeakPolarHBondContact CB-O 3.49Å; A229-K233 HydrophobicContact CB-CG 4.21Å; A229-Y236 VanDerWaalsContact C-OH 3.31Å; A229-Y236 WeakPolarHBondContact CA-OH 3.2Å; A229-Y236 HydrophobicContact CB-CE2 4.46Å; A229-S292 WeakPolarHBondContact O-CA 3.5Å; A229-S292 VanDerWaalsContact O-CB 3.23Å; A229-S292 WeakPolarHBondContact O-CB 3.09Å
230	V	88.4	Confident	81.8	Confident	86 Å²	86	50.9 Å²	50.9	52%	0.521	26%	0.261	S	S	.	.	S	Bend	trans	-74.9	-30.9	-178.9	-179.6	0	0	0	0	111.3	G228 Y236 D291 S292	G228-V230 WeakPolarHBondContact O-CG2 3.2Å; G228-V230 PolarHBondContact O-N 2.91Å; V230-Y236 PolarHBondContact N-OH 2.98Å; V230-D291 CarbonylContact O-C 3.52Å; V230-S292 WeakPolarHBondContact O-CA 3.45Å; V230-S292 PolarHBondContact O-N 3.29Å
231	F	93	Very high	82.4	Confident	46 Å²	46	49.3 Å²	49.3	20%	0.202	25%	0.253	C	S	.	.	S	Bend	trans	-112	12	-172.8	-54.8	-61	0	0	0	113.5	Y236 G290 D291 D313 I320 V322	F231-Y236 HydrophobicContact CB-CE1 4.3Å; F231-Y236 HydrophobicContact CD2-CE1 4.09Å; F231-Y236 PolarHBondContact N-OH 3.08Å; F231-G290 WeakPolarHBondContact O-CA 3.49Å; F231-D291 CarbonylContact C-O 3.46Å; F231-D313 HydrophobicContact CD1-CB 4.49Å; F231-D313 HydrophobicContact CD2-CB 4.21Å; F231-D313 HydrophobicContact CE1-CB 3.95Å; F231-D313 HydrophobicContact CE2-CB 3.65Å; F231-D313 HydrophobicContact CZ-CB 3.51Å; F231-I320 HydrophobicContact CD2-CG2 4.15Å; F231-I320 HydrophobicContact CE2-CD1 3.98Å; F231-V322 HydrophobicContact CB-CG2 3.72Å
232	G	93.3	Very high	83.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.			trans	127	162.8	178.8	0	0	0	0	0	113.3	A229 G234 Y236 D291 Y294	A229-G232 VanDerWaalsContact CB-O 3.3Å; A229-G232 WeakPolarHBondContact CB-O 3.49Å; G232-G234 PolarHBondContact O-N 2.91Å; G232-Y236 PolarHBondContact N-OH 2.89Å; G232-Y236 VanDerWaalsContact N-OH 3.16Å; G232-Y236 VanDerWaalsContact O-CE2 3.24Å; G232-Y236 WeakPolarHBondContact O-CE2 3.42Å; G232-Y236 PolarHBondContact O-OH 2.89Å; G232-D291 VanDerWaalsContact CA-O 3.23Å; G232-D291 WeakPolarHBondContact CA-O 3.24Å; G232-D291 PolarHBondContact N-O 2.87Å; G232-Y294 CarbonylContact C-O 3.57Å; G232-Y294 WeakPolarHBondContact CA-O 3.45Å
233	K	92.4	Very high	84	Confident	77 Å²	77	44.4 Å²	44.4	34%	0.335	24%	0.242	S	C	.	.	S	Bend	trans	-91.5	82.7	178.2	-68.2	163.2	174.5	-179	0	109.4	W221 I226 A229 Y294 M295 F324	W221-K233 HydrophobicContact CE3-CB 4.38Å; W221-K233 HydrophobicContact CH2-CB 4.08Å; W221-K233 HydrophobicContact CZ3-CB 3.98Å; I226-K233 HydrophobicContact CD1-CG 4.31Å; A229-K233 HydrophobicContact CB-CG 4.21Å; K233-Y294 PolarHBondContact N-O 3.01Å; K233-M295 HydrophobicContact CB-SD 4.06Å; K233-M295 HydrophobicContact CD-CE 4.18Å; K233-M295 HydrophobicContact CD-SD 3.12Å; K233-M295 WeakPolarHBondContact CD-SD 3.47Å; K233-M295 HydrophobicContact CG-SD 4.22Å; K233-F324 WeakPolarHBondContact O-CD1 3.38Å
234	G	93.4	Very high	85.3	Confident	5 Å²	5	41.8 Å²	41.8	5%	0.052	23%	0.229	C	C	.	.	S	Bend	trans	-151.3	-173	178.7	0	0	0	0	0	110.9	W221 G232 Y236 V323	W221-G234 WeakPolarHBondContact CB-O 3.4Å; G232-G234 PolarHBondContact O-N 2.91Å; G234-Y236 VanDerWaalsContact O-CD2 3.24Å; G234-Y236 WeakPolarHBondContact O-CD2 3.46Å; G234-Y236 WeakPolarHBondContact O-CE2 3.43Å; G234-V323 CarbonylContact C-O 3.57Å; G234-V323 WeakPolarHBondContact CA-O 3.3Å
235	T	94.3	Very high	87.1	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.4	175.4	-55.3	0	0	0	0	109.7	F219 F237 V322 V323 I329	F219-T235 HydrophobicContact CB-CG2 3.63Å; F219-T235 HydrophobicContact CD1-CG2 4.14Å; F219-T235 HydrophobicContact CG-CG2 3.99Å; T235-F237 HydrophobicContact CG2-CD2 4.28Å; T235-F237 HydrophobicContact CG2-CE2 3.4Å; T235-F237 HydrophobicContact CG2-CZ 3.59Å; T235-V322 WeakPolarHBondContact O-CA 3.17Å; T235-V323 PolarHBondContact N-O 3.39Å; T235-V323 PolarHBondContact O-N 3.48Å; T235-I329 HydrophobicContact CG2-CD1 4.28Å
236	Y	95.3	Very high	88.8	Confident	55 Å²	55	48.3 Å²	48.3	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.9	-177.8	-76.9	-112.5	0	0	0	111.2	H204 A229 V230 F231 G232 G234 I320 F321 V322	H204-Y236 PolarHBondContact ND1-O 3.48Å; A229-Y236 VanDerWaalsContact C-OH 3.31Å; A229-Y236 WeakPolarHBondContact CA-OH 3.2Å; A229-Y236 HydrophobicContact CB-CE2 4.46Å; V230-Y236 PolarHBondContact N-OH 2.98Å; F231-Y236 HydrophobicContact CB-CE1 4.3Å; F231-Y236 HydrophobicContact CD2-CE1 4.09Å; F231-Y236 PolarHBondContact N-OH 3.08Å; G232-Y236 PolarHBondContact N-OH 2.89Å; G232-Y236 VanDerWaalsContact N-OH 3.16Å; G232-Y236 VanDerWaalsContact O-CE2 3.24Å; G232-Y236 WeakPolarHBondContact O-CE2 3.42Å; G232-Y236 PolarHBondContact O-OH 2.89Å; G234-Y236 VanDerWaalsContact O-CD2 3.24Å; G234-Y236 WeakPolarHBondContact O-CD2 3.46Å; G234-Y236 WeakPolarHBondContact O-CE2 3.43Å; Y236-I320 HydrophobicContact CD1-CG2 3.67Å; Y236-I320 HydrophobicContact CE1-CG2 4.18Å; Y236-F321 CarbonylContact C-O 3.44Å; Y236-F321 WeakPolarHBondContact CA-O 3.49Å; Y236-V322 HydrophobicContact CD1-CG2 3.75Å; Y236-V322 HydrophobicContact CD2-CG1 4.34Å; Y236-V322 HydrophobicContact CD2-CG2 4.25Å; Y236-V322 HydrophobicContact CE1-CG2 3.43Å; Y236-V322 VanDerWaalsContact CE1-CG2 3.43Å; Y236-V322 HydrophobicContact CE2-CG1 3.96Å; Y236-V322 HydrophobicContact CE2-CG2 3.94Å; Y236-V322 HydrophobicContact CG-CG2 4.13Å; Y236-V322 VanDerWaalsContact CZ-CG2 3.49Å
237	F	97.5	Very high	90.4	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.9	173	-67.5	-86.7	0	0	0	109.9	L202 F203 H204 F219 T235 A280 V282 I320 F321 I329	L202-F237 HydrophobicContact CB-CB 3.68Å; L202-F237 HydrophobicContact CB-CD1 4.2Å; L202-F237 HydrophobicContact CB-CG 4.25Å; L202-F237 HydrophobicContact CD1-CB 3.8Å; L202-F237 HydrophobicContact CG-CB 4.39Å; F203-F237 WeakPolarHBondContact O-CA 3.45Å; H204-F237 HydrophobicContact CB-CD1 3.82Å; H204-F237 HydrophobicContact CB-CE1 3.68Å; F219-F237 HydrophobicContact CD1-CZ 4.37Å; F219-F237 HydrophobicContact CD2-CZ 4.02Å; F219-F237 HydrophobicContact CE1-CE1 4.36Å; F219-F237 HydrophobicContact CE1-CZ 4.42Å; F219-F237 HydrophobicContact CE2-CE1 4.26Å; F219-F237 HydrophobicContact CE2-CZ 4.09Å; F219-F237 HydrophobicContact CG-CZ 4.18Å; F219-F237 HydrophobicContact CZ-CE1 4.12Å; F219-F237 HydrophobicContact CZ-CZ 4.29Å; T235-F237 HydrophobicContact CG2-CD2 4.28Å; T235-F237 HydrophobicContact CG2-CE2 3.4Å; T235-F237 HydrophobicContact CG2-CZ 3.59Å; F237-A280 HydrophobicContact CD1-CB 4.25Å; F237-A280 HydrophobicContact CE1-CB 3.61Å; F237-A280 HydrophobicContact CZ-CB 4.42Å; F237-V282 HydrophobicContact CD1-CG2 4Å; F237-V282 HydrophobicContact CD2-CG1 4.49Å; F237-V282 HydrophobicContact CD2-CG2 4.27Å; F237-V282 HydrophobicContact CE1-CG2 4.13Å; F237-V282 HydrophobicContact CE2-CG2 4.38Å; F237-V282 HydrophobicContact CG-CG2 4.1Å; F237-V282 HydrophobicContact CZ-CG2 4.35Å; F237-I320 WeakPolarHBondContact O-CA 3.46Å; F237-F321 HydrophobicContact CB-CB 4.46Å; F237-F321 PolarHBondContact N-O 3.35Å; F237-F321 PolarHBondContact O-N 3.1Å; F237-I329 HydrophobicContact CE1-CG2 4.21Å; F237-I329 HydrophobicContact CE2-CD1 3.55Å; F237-I329 HydrophobicContact CE2-CG1 3.94Å; F237-I329 HydrophobicContact CE2-CG2 4.33Å; F237-I329 HydrophobicContact CZ-CB 4.49Å; F237-I329 HydrophobicContact CZ-CD1 3.77Å; F237-I329 HydrophobicContact CZ-CG1 4.07Å; F237-I329 HydrophobicContact CZ-CG2 3.62Å
238	A	98.1	Very high	91.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.7	176.5	0	0	0	0	0	111	F203 D240 Y243 S244 K319	F203-A238 PolarHBondContact N-O 3Å; F203-A238 PolarHBondContact O-N 3.44Å; A238-D240 VanDerWaalsContact C-N 3.27Å; A238-Y243 HydrophobicContact CB-CD1 3.72Å; A238-Y243 HydrophobicContact CB-CG 4.26Å; A238-S244 WeakPolarHBondContact CB-OG 3.34Å; A238-K319 WeakPolarHBondContact CA-O 3.42Å
239	R	98.1	Very high	92.8	Very high	90 Å²	90	43.8 Å²	43.8	34%	0.34	20%	0.204	S	C	.	.	S	Bend	trans	-63.8	-37.8	168.5	-173.8	-167.5	69	-164.1	-1.2	111.6	L202 F203 N317 K319	L202-R239 HydrophobicContact CD2-CB 4.48Å; F203-R239 WeakPolarHBondContact CD2-O 3.34Å; R239-N317 PolarHBondContact NH1-OD1 2.83Å; R239-K319 PolarHBondContact N-O 2.94Å
240	D	98.3	Very high	92.2	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	22%	0.216	C	C	.	.	S	Bend	trans	-104.4	122.1	-169.9	-63.8	-16	0	0	0	110.6	T160 A238 A242 Y243 S244	T160-D240 HydrophobicContact CG2-CB 3.78Å; A238-D240 VanDerWaalsContact C-N 3.27Å; D240-A242 PolarHBondContact O-N 3.27Å; D240-Y243 WeakPolarHBondContact O-CB 3.45Å; D240-Y243 PolarHBondContact O-N 3.42Å; D240-S244 PolarHBondContact O-N 2.89Å
241	A	98.2	Very high	90.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56	-37.8	178.9	0	0	0	0	0	112.7	F157 T160 M161 F203 Y243 S244 S245 M277	F157-A241 HydrophobicContact CD2-CB 3.81Å; F157-A241 HydrophobicContact CE2-CB 4.25Å; F157-A241 HydrophobicContact CG-CB 4.38Å; T160-A241 PolarHBondContact OG1-N 3.1Å; T160-A241 VanDerWaalsContact OG1-N 3.1Å; M161-A241 HydrophobicContact CG-CB 4.04Å; M161-A241 HydrophobicContact SD-CB 3.89Å; F203-A241 HydrophobicContact CD1-CB 3.96Å; F203-A241 HydrophobicContact CD2-CB 3.9Å; F203-A241 HydrophobicContact CE1-CB 3.89Å; F203-A241 HydrophobicContact CE2-CB 3.83Å; F203-A241 HydrophobicContact CG-CB 3.97Å; F203-A241 HydrophobicContact CZ-CB 3.84Å; A241-Y243 PolarHBondContact O-N 2.95Å; A241-S244 PolarHBondContact O-N 3.41Å; A241-S244 VanDerWaalsContact O-N 3.12Å; A241-S245 PolarHBondContact O-N 3.1Å; A241-M277 HydrophobicContact CB-SD 4.15Å
242	A	97.7	Very high	88.8	Confident	32 Å²	32	49 Å²	49	26%	0.264	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-24.1	178.6	0	0	0	0	0	114	T160 M161 D240 S245	T160-A242 WeakPolarHBondContact O-CB 3.49Å; T160-A242 PolarHBondContact OG1-N 3.21Å; M161-A242 HydrophobicContact CG-CB 3.87Å; D240-A242 PolarHBondContact O-N 3.27Å; A242-S245 PolarHBondContact O-OG 3.15Å
243	Y	96.1	Very high	86.9	Confident	91 Å²	91	57.5 Å²	57.5	36%	0.357	26%	0.264	S	S	.	.	H	α-helix	trans	-75.4	-50.4	172.2	-171.8	-91.1	0	0	0	110	A238 D240 A241 S245 R246 F247 I320	A238-Y243 HydrophobicContact CB-CD1 3.72Å; A238-Y243 HydrophobicContact CB-CG 4.26Å; D240-Y243 WeakPolarHBondContact O-CB 3.45Å; D240-Y243 PolarHBondContact O-N 3.42Å; A241-Y243 PolarHBondContact O-N 2.95Å; Y243-S245 VanDerWaalsContact C-N 3.29Å; Y243-S245 PolarHBondContact O-N 3.32Å; Y243-R246 WeakPolarHBondContact O-CB 3.26Å; Y243-R246 WeakPolarHBondContact O-CG 3.17Å; Y243-R246 PolarHBondContact O-N 3.11Å; Y243-F247 AromaticContact CD1-CE2 3.84Å; Y243-F247 HydrophobicContact CD1-CE2 3.84Å; Y243-F247 AromaticContact CE1-CE2 3.5Å; Y243-F247 HydrophobicContact CE1-CE2 3.5Å; Y243-F247 VanDerWaalsContact CE1-CE2 3.5Å; Y243-F247 AromaticContact CE1-CZ 3.98Å; Y243-F247 HydrophobicContact CE1-CZ 3.98Å; Y243-F247 WeakPolarHBondContact O-CD2 3.23Å; Y243-I320 HydrophobicContact CE1-CD1 4.07Å; Y243-I320 HydrophobicContact CE1-CG1 4.25Å; Y243-I320 HydrophobicContact CE2-CD1 4.27Å
244	S	95.8	Very high	85	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-34.4	178.5	-71.4	0	0	0	0	113.1	F203 G205 A238 D240 A241 R246 F247	F203-S244 WeakPolarHBondContact CB-OG 3.48Å; F203-S244 PolarHBondContact O-OG 2.79Å; G205-S244 WeakPolarHBondContact CA-O 3.43Å; A238-S244 WeakPolarHBondContact CB-OG 3.34Å; D240-S244 PolarHBondContact O-N 2.89Å; A241-S244 PolarHBondContact O-N 3.41Å; A241-S244 VanDerWaalsContact O-N 3.12Å; S244-R246 PolarHBondContact O-N 3.18Å; S244-F247 PolarHBondContact O-N 3.26Å
245	S	94.6	Very high	83	Confident	20 Å²	20	56.4 Å²	56.4	14%	0.14	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.4	179.1	70.2	0	0	0	0	114.2	A241 A242 Y243 F247 C248	A241-S245 PolarHBondContact O-N 3.1Å; A242-S245 PolarHBondContact O-OG 3.15Å; Y243-S245 VanDerWaalsContact C-N 3.29Å; Y243-S245 PolarHBondContact O-N 3.32Å; S245-F247 PolarHBondContact O-N 2.89Å; S245-C248 PolarHBondContact O-N 3.37Å
246	R	91.9	Very high	80.9	Confident	181 Å²	181	61.5 Å²	61.5	68%	0.683	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.3	177.2	-57.9	175.1	-173.9	-171.8	-2.3	112.5	Y243 S244	Y243-R246 WeakPolarHBondContact O-CB 3.26Å; Y243-R246 WeakPolarHBondContact O-CG 3.17Å; Y243-R246 PolarHBondContact O-N 3.11Å; S244-R246 PolarHBondContact O-N 3.18Å
247	F	89.7	Confident	79	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.342	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.5	179.3	-58.3	-86.9	0	0	0	112.5	G205 Y243 S244 S245 K249	G205-F247 WeakPolarHBondContact O-CB 3.45Å; Y243-F247 AromaticContact CD1-CE2 3.84Å; Y243-F247 HydrophobicContact CD1-CE2 3.84Å; Y243-F247 AromaticContact CE1-CE2 3.5Å; Y243-F247 HydrophobicContact CE1-CE2 3.5Å; Y243-F247 VanDerWaalsContact CE1-CE2 3.5Å; Y243-F247 AromaticContact CE1-CZ 3.98Å; Y243-F247 HydrophobicContact CE1-CZ 3.98Å; Y243-F247 WeakPolarHBondContact O-CD2 3.23Å; S244-F247 PolarHBondContact O-N 3.26Å; S245-F247 PolarHBondContact O-N 2.89Å; F247-K249 PolarHBondContact O-N 3.01Å; F247-K249 VanDerWaalsContact O-N 3.16Å
248	C	89.1	Confident	77.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.014	30%	0.3	C	S	.	.			trans	-76.6	98.7	171.5	-53.4	0	0	0	0	109.7	G205 S245 K275 S276 F337	G205-C248 VanDerWaalsContact CA-SG 3.53Å; S245-C248 PolarHBondContact O-N 3.37Å; C248-K275 HydrophobicContact CB-CB 3.83Å; C248-K275 HydrophobicContact CB-CD 3.95Å; C248-K275 HydrophobicContact CB-CG 4.11Å; C248-K275 WeakPolarHBondContact O-CD 3.42Å; C248-K275 WeakPolarHBondContact O-CE 3.45Å; C248-K275 PolarHBondContact O-NZ 3.02Å; C248-S276 PolarHBondContact SG-O 2.58Å; C248-F337 HydrophobicContact CB-CZ 4.11Å
249	K	77.4	Confident	75	Confident	83 Å²	83	67.6 Å²	67.6	36%	0.361	33%	0.329	S	S	.	.			trans	-106.7	147.3	-179.7	-65.3	171.9	-177.1	172.6	0	110.4	F247 H254	F247-K249 PolarHBondContact O-N 3.01Å; F247-K249 VanDerWaalsContact O-N 3.16Å; K249-H254 WeakPolarHBondContact CD-CE1 3.45Å; K249-H254 WeakPolarHBondContact CD-NE2 3.28Å; K249-H254 PolarHBondContact NZ-NE2 3.24Å
250	D	63.7	Low	73.1	Confident	75 Å²	75	70 Å²	70	40%	0.401	35%	0.347	S	S	.	.			trans	-79.3	148.4	173.8	-50.6	-35.8	0	0	0	109.6	I252	D250-I252 PolarHBondContact O-N 2.83Å
251	D	58	Low	71.3	Confident	42 Å²	42	72.4 Å²	72.4	23%	0.225	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	9	-163.2	-66.9	-41.2	0	0	0	117.8	S208	S208-D251 WeakPolarHBondContact CB-OD1 3.46Å; S208-D251 PolarHBondContact OG-OD1 2.73Å; S208-D251 PolarHBondContact OG-OD2 2.92Å
252	I	53	Low	69.4	Low	143 Å²	143	75.9 Å²	75.9	73%	0.733	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.7	-163.4	-54.3	176.6	0	0	0	113.1	D250	D250-I252 PolarHBondContact O-N 2.83Å
253	K	51.7	Low	67.6	Low	178 Å²	178	77.6 Å²	77.6	77%	0.774	40%	0.399	S	S	*	.	S	Bend	trans	-127.7	-1.7	-163.7	-68.4	-168.8	179.3	-177.1	0	119.3
254	H	53.8	Low	65.8	Low	20 Å²	20	78.5 Å²	78.5	9%	0.093	42%	0.419	C	S	.	.			trans	-116	21.9	-177.1	-43.5	89.4	0	0	0	116.4	S207 E209 K249 N256 T257	S207-H254 PolarHBondContact OG-CE1 3.33Å; S207-H254 PolarHBondContact OG-ND1 3.03Å; E209-H254 WeakPolarHBondContact OE1-CB 3.41Å; E209-H254 IonicContact OE1-CG 3.71Å; E209-H254 IonicContact OE1-ND1 3.09Å; E209-H254 PolarHBondContact OE1-ND1 3.22Å; K249-H254 WeakPolarHBondContact CD-CE1 3.45Å; K249-H254 WeakPolarHBondContact CD-NE2 3.28Å; K249-H254 PolarHBondContact NZ-NE2 3.24Å; H254-N256 PolarHBondContact O-N 2.96Å; H254-T257 PolarHBondContact O-N 3.46Å
255	G	50.3	Low	63.9	Low	39 Å²	39	81.7 Å²	81.7	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-50.1	-24	170.2	0	0	0	0	0	114	Q259	G255-Q259 VanDerWaalsContact O-CG 3.3Å; G255-Q259 WeakPolarHBondContact O-CG 3.41Å; G255-Q259 PolarHBondContact O-NE2 2.77Å
256	N	51.8	Low	61.9	Low	114 Å²	114	87 Å²	87	61%	0.61	46%	0.458	S	S	*	.	H	α-helix	trans	-74.6	-31.3	177.1	-62.8	-12.7	0	0	0	114.3	H254 Q259 I260	H254-N256 PolarHBondContact O-N 2.96Å; N256-Q259 PolarHBondContact O-N 2.83Å; N256-I260 WeakPolarHBondContact O-CG1 3.47Å; N256-I260 PolarHBondContact O-N 3.42Å
257	T	55.1	Low	60.1	Low	35 Å²	35	88 Å²	88	22%	0.215	47%	0.471	C	S	.	.	H	α-helix	trans	-69.1	-41.8	-178.7	-55.6	0	0	0	0	110.8	F210 I223 H254 I260 H261	F210-T257 HydrophobicContact CZ-CG2 4.09Å; I223-T257 WeakPolarHBondContact O-CG2 3.45Å; H254-T257 PolarHBondContact O-N 3.46Å; T257-I260 WeakPolarHBondContact O-CB 3.13Å; T257-I260 PolarHBondContact O-N 2.77Å; T257-H261 PolarHBondContact O-CD2 3.38Å
258	F	56.1	Low	58.1	Low	21 Å²	21	93.2 Å²	93.2	9%	0.092	49%	0.488	C	S	.	.	H	α-helix	trans	-68	-34.9	177.8	-74.2	-88.4	0	0	0	112.6	E209 F210 I260 H261 G262 V263 L265	E209-F258 HydrophobicContact CB-CE2 3.84Å; E209-F258 HydrophobicContact CB-CZ 3.89Å; E209-F258 VanDerWaalsContact CD-CE2 3.5Å; E209-F258 HydrophobicContact CG-CE2 3.49Å; E209-F258 VanDerWaalsContact CG-CE2 3.49Å; E209-F258 HydrophobicContact CG-CZ 3.83Å; E209-F258 WeakPolarHBondContact OE2-CD2 3.4Å; E209-F258 WeakPolarHBondContact OE2-CE2 3.4Å; F210-F258 HydrophobicContact CD1-CE1 4.33Å; F210-F258 HydrophobicContact CD1-CE2 4.12Å; F210-F258 AromaticContact CD1-CZ 3.52Å; F210-F258 HydrophobicContact CD1-CZ 3.52Å; F210-F258 HydrophobicContact CE1-CD2 4.48Å; F210-F258 HydrophobicContact CE1-CE1 4.07Å; F210-F258 AromaticContact CE1-CE2 3.48Å; F210-F258 HydrophobicContact CE1-CE2 3.48Å; F210-F258 VanDerWaalsContact CE1-CE2 3.48Å; F210-F258 AromaticContact CE1-CZ 3.25Å; F210-F258 HydrophobicContact CE1-CZ 3.25Å; F210-F258 HydrophobicContact CE2-CE2 4.16Å; F210-F258 HydrophobicContact CE2-CZ 4.47Å; F210-F258 HydrophobicContact CG-CZ 4.24Å; F210-F258 HydrophobicContact CZ-CD2 4.43Å; F210-F258 AromaticContact CZ-CE2 3.49Å; F210-F258 HydrophobicContact CZ-CE2 3.49Å; F210-F258 VanDerWaalsContact CZ-CE2 3.49Å; F210-F258 AromaticContact CZ-CZ 3.79Å; F210-F258 HydrophobicContact CZ-CZ 3.79Å; F258-I260 VanDerWaalsContact C-N 3.29Å; F258-I260 PolarHBondContact O-N 2.82Å; F258-H261 CarbonylContact O-C 3.45Å; F258-H261 PolarHBondContact O-N 2.86Å; F258-G262 PolarHBondContact O-N 2.78Å; F258-V263 CarbonylContact C-O 3.17Å; F258-V263 HydrophobicContact CB-CB 4.04Å; F258-V263 HydrophobicContact CB-CG1 4.36Å; F258-V263 WeakPolarHBondContact CB-O 3.4Å; F258-V263 HydrophobicContact CD1-CB 4.05Å; F258-V263 HydrophobicContact CD1-CG1 3.92Å; F258-V263 PolarHBondContact O-N 2.83Å; F258-L265 HydrophobicContact CB-CD1 4.28Å; F258-L265 HydrophobicContact CB-CG 4.19Å; F258-L265 HydrophobicContact CD1-CD1 4.41Å; F258-L265 HydrophobicContact CD1-CD2 4.24Å; F258-L265 HydrophobicContact CD1-CG 4.28Å; F258-L265 HydrophobicContact CD2-CD1 3.53Å; F258-L265 HydrophobicContact CD2-CG 4.2Å; F258-L265 HydrophobicContact CE1-CD2 4.39Å; F258-L265 HydrophobicContact CE2-CD1 3.96Å; F258-L265 HydrophobicContact CG-CD1 3.79Å; F258-L265 HydrophobicContact CG-CD2 4.38Å; F258-L265 HydrophobicContact CG-CG 3.94Å
259	Q	55.8	Low	56.2	Low	132 Å²	132	98.1 Å²	98.1	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-60.6	-36.4	174.7	-74.5	173.2	31	0	0	112.6	G255 N256 H261 G262 V263	G255-Q259 VanDerWaalsContact O-CG 3.3Å; G255-Q259 WeakPolarHBondContact O-CG 3.41Å; G255-Q259 PolarHBondContact O-NE2 2.77Å; N256-Q259 PolarHBondContact O-N 2.83Å; Q259-H261 PolarHBondContact O-N 2.85Å; Q259-G262 PolarHBondContact O-N 2.97Å; Q259-V263 PolarHBondContact N-O 3.48Å
260	I	58.2	Low	54.9	Low	140 Å²	140	100.9 Å²	100.9	72%	0.718	53%	0.528	S	S	*	.	H	α-helix	trans	-62.3	-33.2	175.9	-64.1	166.5	0	0	0	111.1	N256 T257 F258 G262	N256-I260 WeakPolarHBondContact O-CG1 3.47Å; N256-I260 PolarHBondContact O-N 3.42Å; T257-I260 WeakPolarHBondContact O-CB 3.13Å; T257-I260 PolarHBondContact O-N 2.77Å; F258-I260 VanDerWaalsContact C-N 3.29Å; F258-I260 PolarHBondContact O-N 2.82Å; I260-G262 VanDerWaalsContact C-N 3.32Å
261	H	58.9	Low	54.5	Low	91 Å²	91	106.1 Å²	106.1	42%	0.421	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	11.6	176.9	-68.2	-78.3	0	0	0	113.4	T257 F258 Q259 V263	T257-H261 PolarHBondContact O-CD2 3.38Å; F258-H261 CarbonylContact O-C 3.45Å; F258-H261 PolarHBondContact O-N 2.86Å; Q259-H261 PolarHBondContact O-N 2.85Å; H261-V263 VanDerWaalsContact C-N 3.26Å; H261-V263 PolarHBondContact O-N 3.08Å
262	G	59	Low	54.7	Low	73 Å²	73	108 Å²	108	75%	0.753	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.9	16.2	179.3	0	0	0	0	0	114.4	F258 Q259 I260	F258-G262 PolarHBondContact O-N 2.78Å; Q259-G262 PolarHBondContact O-N 2.97Å; I260-G262 VanDerWaalsContact C-N 3.32Å
263	V	60.4	Low	55.8	Low	67 Å²	67	106.3 Å²	106.3	41%	0.406	55%	0.548	S	S	.	.			trans	-101.1	124.1	-179.4	-178.6	0	0	0	0	109.9	F258 Q259 H261	F258-V263 CarbonylContact C-O 3.17Å; F258-V263 HydrophobicContact CB-CB 4.04Å; F258-V263 HydrophobicContact CB-CG1 4.36Å; F258-V263 WeakPolarHBondContact CB-O 3.4Å; F258-V263 HydrophobicContact CD1-CB 4.05Å; F258-V263 HydrophobicContact CD1-CG1 3.92Å; F258-V263 PolarHBondContact O-N 2.83Å; Q259-V263 PolarHBondContact N-O 3.48Å; H261-V263 VanDerWaalsContact C-N 3.26Å; H261-V263 PolarHBondContact O-N 3.08Å
264	S	57.7	Low	57.3	Low	110 Å²	110	99.2 Å²	99.2	77%	0.769	52%	0.517	S	S	*	.			trans	-98.7	108.4	169.6	-173.7	0	0	0	0	108.9	Q266	S264-Q266 PolarHBondContact O-N 2.58Å
265	L	56.3	Low	59.2	Low	72 Å²	72	101.2 Å²	101.2	38%	0.377	53%	0.525	S	S	.	.			trans	-68.5	115.5	174.1	-71.3	172.1	0	0	0	108.8	E209 F258 Q267	E209-L265 HydrophobicContact CB-CD1 4.38Å; F258-L265 HydrophobicContact CB-CD1 4.28Å; F258-L265 HydrophobicContact CB-CG 4.19Å; F258-L265 HydrophobicContact CD1-CD1 4.41Å; F258-L265 HydrophobicContact CD1-CD2 4.24Å; F258-L265 HydrophobicContact CD1-CG 4.28Å; F258-L265 HydrophobicContact CD2-CD1 3.53Å; F258-L265 HydrophobicContact CD2-CG 4.2Å; F258-L265 HydrophobicContact CE1-CD2 4.39Å; F258-L265 HydrophobicContact CE2-CD1 3.96Å; F258-L265 HydrophobicContact CG-CD1 3.79Å; F258-L265 HydrophobicContact CG-CD2 4.38Å; F258-L265 HydrophobicContact CG-CG 3.94Å; L265-Q267 PolarHBondContact O-N 2.85Å
266	Q	53.2	Low	61.2	Low	130 Å²	130	99.5 Å²	99.5	61%	0.607	51%	0.507	S	S	*	.			trans	-63.2	130.5	162.2	-66.4	-172.9	0.9	0	0	107.2	S264 R268	S264-Q266 PolarHBondContact O-N 2.58Å; Q266-R268 HydrophobicContact CB-CG 4.06Å; Q266-R268 PolarHBondContact O-N 2.91Å; Q266-R268 VanDerWaalsContact OE1-CZ 3.31Å; Q266-R268 VanDerWaalsContact OE1-NH2 3.08Å
267	Q	53.4	Low	63.3	Low	204 Å²	204	94 Å²	94	95%	0.953	48%	0.478	S	S	*	.	S	Bend	trans	-64.9	57.6	179	-72.3	173.7	-18.4	0	0	112.3	L265	L265-Q267 PolarHBondContact O-N 2.85Å
268	R	48.2	Very low	65.4	Low	186 Å²	186	92.4 Å²	92.4	70%	0.702	47%	0.468	S	S	*	.			trans	-94.8	-2.4	-177.9	-68.8	-167.1	-177.4	-154.9	-0.2	113.4	Q266 L270	Q266-R268 HydrophobicContact CB-CG 4.06Å; Q266-R268 PolarHBondContact O-N 2.91Å; Q266-R268 VanDerWaalsContact OE1-CZ 3.31Å; Q266-R268 VanDerWaalsContact OE1-NH2 3.08Å; R268-L270 PolarHBondContact O-N 2.97Å
269	H	48.8	Very low	67.4	Low	105 Å²	105	91.4 Å²	91.4	49%	0.486	46%	0.463	S	S	.	.			trans	-98.4	78.2	176.6	-61.8	-52.3	0	0	0	110.5	F271	H269-F271 PolarHBondContact O-N 3.02Å
270	L	50.7	Low	69.5	Low	142 Å²	142	85.1 Å²	85.1	74%	0.743	43%	0.434	S	S	*	.			trans	-51.6	121	162.5	-75.5	154.4	0	0	0	109.3	R268 R272	R268-L270 PolarHBondContact O-N 2.97Å; L270-R272 PolarHBondContact O-N 2.98Å
271	F	53.7	Low	71.4	Confident	184 Å²	184	81.1 Å²	81.1	81%	0.807	41%	0.41	S	S	*	.			trans	16.8	75.8	159.5	-57.3	-83.8	0	0	0	116	H269 T273	H269-F271 PolarHBondContact O-N 3.02Å; F271-T273 PolarHBondContact O-N 2.91Å
272	R	63.5	Low	73.3	Confident	83 Å²	83	76.8 Å²	76.8	31%	0.313	39%	0.39	S	S	.	.			trans	-70	125.7	162.9	-78.8	-171.2	-169.7	-143.1	4.4	108.8	L270 Y274	L270-R272 PolarHBondContact O-N 2.98Å; R272-Y274 VanDerWaalsContact C-N 3.25Å; R272-Y274 HydrophobicContact CB-CD1 4.38Å; R272-Y274 HydrophobicContact CB-CE1 4.26Å; R272-Y274 HydrophobicContact CG-CE1 3.97Å; R272-Y274 PolarHBondContact NH1-OH 3.3Å
273	T	74.6	Confident	75.1	Confident	107 Å²	107	73.3 Å²	73.3	66%	0.656	35%	0.354	S	S	*	.			trans	-91.6	15.2	174.6	56.8	0	0	0	0	112.7	F271 H338	F271-T273 PolarHBondContact O-N 2.91Å; T273-H338 PolarHBondContact O-ND1 3.36Å
274	Y	84.9	Confident	76.9	Confident	29 Å²	29	70.1 Å²	70.1	11%	0.114	34%	0.335	C	S	.	.	S	Bend	trans	-144.2	150	-176	63.1	-85.9	0	0	0	109.7	K167 R272 D336 F337	K167-Y274 HydrophobicContact CD-CD1 4.04Å; K167-Y274 HydrophobicContact CD-CD2 4.32Å; K167-Y274 HydrophobicContact CD-CE1 4.49Å; K167-Y274 HydrophobicContact CD-CG 3.94Å; R272-Y274 VanDerWaalsContact C-N 3.25Å; R272-Y274 HydrophobicContact CB-CD1 4.38Å; R272-Y274 HydrophobicContact CB-CE1 4.26Å; R272-Y274 HydrophobicContact CG-CE1 3.97Å; R272-Y274 PolarHBondContact NH1-OH 3.3Å; Y274-D336 HydrophobicContact CD2-CB 3.71Å; Y274-D336 HydrophobicContact CE2-CB 3.92Å; Y274-D336 VanDerWaalsContact CE2-CG 3.44Å; Y274-D336 WeakPolarHBondContact CE2-OD2 3.44Å; Y274-F337 CarbonylContact C-O 3.15Å; Y274-F337 WeakPolarHBondContact CA-O 3.45Å; Y274-F337 WeakPolarHBondContact CB-O 3.41Å
275	K	91.9	Very high	78.7	Confident	61 Å²	61	65 Å²	65	27%	0.265	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	156.6	-179.6	-69.9	178.2	178.7	-148.1	0	110.3	C248 D336 F337	C248-K275 HydrophobicContact CB-CB 3.83Å; C248-K275 HydrophobicContact CB-CD 3.95Å; C248-K275 HydrophobicContact CB-CG 4.11Å; C248-K275 WeakPolarHBondContact O-CD 3.42Å; C248-K275 WeakPolarHBondContact O-CE 3.45Å; C248-K275 PolarHBondContact O-NZ 3.02Å; K275-D336 CarbonylContact O-C 3.57Å; K275-D336 VanDerWaalsContact O-CA 3.32Å; K275-D336 WeakPolarHBondContact O-CA 3.38Å; K275-F337 HydrophobicContact CB-CD1 4.25Å; K275-F337 HydrophobicContact CB-CD2 4.32Å; K275-F337 HydrophobicContact CB-CE1 3.68Å; K275-F337 HydrophobicContact CB-CE2 3.79Å; K275-F337 HydrophobicContact CB-CZ 3.43Å; K275-F337 VanDerWaalsContact CB-CZ 3.43Å; K275-F337 HydrophobicContact CD-CE2 4.02Å; K275-F337 HydrophobicContact CD-CZ 4.11Å; K275-F337 HydrophobicContact CG-CZ 4.41Å; K275-F337 PolarHBondContact N-O 2.86Å; K275-F337 WeakPolarHBondContact O-CD1 3.3Å; K275-F337 PolarHBondContact O-N 3.05Å
276	S	93.1	Very high	80.6	Confident	3 Å²	3	65 Å²	65	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.5	176.6	-55.5	0	0	0	0	110.6	C248 I335 D336	C248-S276 PolarHBondContact SG-O 2.58Å; S276-I335 WeakPolarHBondContact CA-O 2.98Å; S276-D336 WeakPolarHBondContact CB-OD1 3.18Å; S276-D336 PolarHBondContact OG-OD1 3.4Å
277	M	96.8	Very high	82.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.1	168.2	66.3	172.9	70.2	0	0	110.5	F157 M161 F203 H204 A241 I335 F337	F157-M277 HydrophobicContact CD2-SD 4.05Å; F157-M277 HydrophobicContact CE2-CE 3.85Å; F157-M277 HydrophobicContact CE2-SD 3.89Å; M161-M277 HydrophobicContact SD-CE 3.94Å; F203-M277 HydrophobicContact CD1-SD 3.64Å; F203-M277 HydrophobicContact CE1-SD 4.27Å; F203-M277 HydrophobicContact CG-SD 4.37Å; H204-M277 WeakPolarHBondContact O-CA 3.49Å; A241-M277 HydrophobicContact CB-SD 4.15Å; M277-I335 HydrophobicContact CG-CB 4.12Å; M277-I335 PolarHBondContact N-O 3.45Å; M277-I335 PolarHBondContact O-N 3.41Å; M277-F337 HydrophobicContact CB-CE1 4.15Å; M277-F337 HydrophobicContact CE-CD1 4.09Å; M277-F337 HydrophobicContact CE-CE1 3.3Å; M277-F337 HydrophobicContact CE-CE2 4.17Å; M277-F337 HydrophobicContact CE-CZ 3.34Å; M277-F337 HydrophobicContact CG-CD1 4.29Å; M277-F337 HydrophobicContact CG-CE1 3.84Å; M277-F337 HydrophobicContact SD-CE1 4.33Å
278	F	98.4	Very high	84.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.3	172.7	-68.9	-92.3	0	0	0	110.4	I172 F203 H204 T206 V211 I214 F219 P331 Y333 L334	I172-F278 HydrophobicContact CD1-CD1 3.7Å; I172-F278 HydrophobicContact CD1-CE1 3.52Å; F203-F278 CarbonylContact C-O 3.5Å; F203-F278 VanDerWaalsContact CA-O 3.28Å; F203-F278 WeakPolarHBondContact CA-O 3.47Å; H204-F278 HydrophobicContact CB-CB 4.34Å; H204-F278 PolarHBondContact N-O 3.32Å; H204-F278 PolarHBondContact O-N 3.4Å; T206-F278 HydrophobicContact CG2-CD2 3.99Å; T206-F278 HydrophobicContact CG2-CE2 3.72Å; V211-F278 HydrophobicContact CB-CZ 4.38Å; V211-F278 HydrophobicContact CG1-CZ 4.03Å; V211-F278 HydrophobicContact CG2-CE2 4.2Å; V211-F278 HydrophobicContact CG2-CZ 4.45Å; I214-F278 HydrophobicContact CB-CE1 4.47Å; I214-F278 HydrophobicContact CB-CE2 4.07Å; I214-F278 HydrophobicContact CB-CZ 3.78Å; I214-F278 HydrophobicContact CD1-CD2 4.31Å; I214-F278 HydrophobicContact CD1-CE2 3.71Å; I214-F278 HydrophobicContact CD1-CZ 4.32Å; I214-F278 HydrophobicContact CG2-CD1 4.33Å; I214-F278 HydrophobicContact CG2-CD2 4.36Å; I214-F278 HydrophobicContact CG2-CE1 3.8Å; I214-F278 HydrophobicContact CG2-CE2 3.86Å; I214-F278 HydrophobicContact CG2-CZ 3.54Å; F219-F278 HydrophobicContact CE1-CB 4.33Å; F219-F278 HydrophobicContact CE1-CD2 4.17Å; F219-F278 HydrophobicContact CE1-CG 4.21Å; F219-F278 HydrophobicContact CZ-CB 3.98Å; F219-F278 HydrophobicContact CZ-CD1 4.36Å; F219-F278 HydrophobicContact CZ-CD2 4.42Å; F219-F278 HydrophobicContact CZ-CG 4.01Å; F278-P331 HydrophobicContact CD1-CB 3.84Å; F278-P331 HydrophobicContact CE1-CB 4.08Å; F278-Y333 CarbonylContact C-O 3.5Å; F278-Y333 VanDerWaalsContact CA-O 3.29Å; F278-Y333 WeakPolarHBondContact CA-O 3.27Å; F278-L334 HydrophobicContact CD1-CD1 4.27Å; F278-L334 HydrophobicContact CD2-CD1 4.39Å; F278-L334 HydrophobicContact CE1-CD1 4.01Å; F278-L334 HydrophobicContact CE2-CD1 4.11Å; F278-L334 HydrophobicContact CG-CD1 4.46Å; F278-L334 HydrophobicContact CZ-CD1 3.93Å
279	L	98.7	Very high	87.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.7	155.7	178.9	69.5	0	0	0	106.7	V153 L156 M201 F203 E332 Y333 I335	V153-L279 HydrophobicContact CB-CD2 4.34Å; V153-L279 HydrophobicContact CG1-CD2 3.8Å; V153-L279 HydrophobicContact CG2-CD2 4.16Å; L156-L279 HydrophobicContact CD1-CD2 3.78Å; M201-L279 HydrophobicContact CB-CD1 3.97Å; M201-L279 HydrophobicContact CB-CD2 4.49Å; M201-L279 HydrophobicContact CB-CG 4.29Å; M201-L279 HydrophobicContact CE-CD2 3.87Å; M201-L279 HydrophobicContact CE-CG 3.7Å; F203-L279 HydrophobicContact CD1-CB 4.3Å; F203-L279 HydrophobicContact CD1-CD1 3.92Å; F203-L279 HydrophobicContact CD2-CD1 4.27Å; F203-L279 HydrophobicContact CE1-CB 4.21Å; F203-L279 HydrophobicContact CE1-CD1 3.74Å; F203-L279 HydrophobicContact CE1-CG 4.42Å; F203-L279 HydrophobicContact CE2-CD1 4.1Å; F203-L279 HydrophobicContact CG-CD1 4.18Å; F203-L279 HydrophobicContact CZ-CD1 3.82Å; L279-E332 PolarHBondContact O-N 3.47Å; L279-Y333 HydrophobicContact CD2-CD2 4.16Å; L279-Y333 PolarHBondContact N-O 3.27Å; L279-Y333 PolarHBondContact O-N 3.04Å; L279-I335 HydrophobicContact CB-CD1 4.11Å
280	A	98.6	Very high	89.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148.9	-173.4	0	0	0	0	0	111	M201 L202 F219 F237 V282 I329 Y330	M201-A280 CarbonylContact C-O 3.56Å; M201-A280 WeakPolarHBondContact CA-O 3.49Å; L202-A280 PolarHBondContact N-O 2.87Å; L202-A280 PolarHBondContact O-N 2.95Å; F219-A280 HydrophobicContact CE2-CB 4.06Å; F219-A280 HydrophobicContact CZ-CB 4.1Å; F237-A280 HydrophobicContact CD1-CB 4.25Å; F237-A280 HydrophobicContact CE1-CB 3.61Å; F237-A280 HydrophobicContact CZ-CB 4.42Å; A280-V282 HydrophobicContact CB-CG2 4.16Å; A280-I329 HydrophobicContact CB-CG2 3.99Å; A280-Y330 CarbonylContact C-O 3.57Å; A280-Y330 VanDerWaalsContact CA-O 3.32Å; A280-Y330 WeakPolarHBondContact CA-O 3.24Å; A280-Y330 WeakPolarHBondContact CB-O 3.22Å
281	R	98.3	Very high	91.6	Very high	56 Å²	56	40.9 Å²	40.9	21%	0.211	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124	168.8	-170.2	-177.8	-68.6	-81	-1.6	108.6	F181 E199 M201 I329 Y330 E332	F181-R281 HydrophobicContact CE1-CG 4.17Å; F181-R281 HydrophobicContact CE2-CB 4.48Å; F181-R281 HydrophobicContact CE2-CG 4.17Å; F181-R281 HydrophobicContact CZ-CB 4.3Å; F181-R281 HydrophobicContact CZ-CG 3.56Å; E199-R281 HydrophobicContact CG-CG 3.81Å; E199-R281 WeakPolarHBondContact OE1-CD 3.41Å; E199-R281 VanDerWaalsContact OE1-CG 3.3Å; E199-R281 WeakPolarHBondContact OE1-CG 3.43Å; E199-R281 IonicContact OE1-CZ 3.96Å; E199-R281 IonicContact OE1-NE 2.98Å; E199-R281 IonicContact OE1-NH1 3.61Å; E199-R281 PolarHBondContact OE1-NH1 3.41Å; M201-R281 HydrophobicContact SD-CB 3.78Å; M201-R281 HydrophobicContact SD-CG 4.09Å; R281-I329 WeakPolarHBondContact O-CA 3.21Å; R281-Y330 PolarHBondContact N-O 3.2Å; R281-Y330 PolarHBondContact O-N 3.32Å; R281-E332 IonicContact CZ-OE1 3.3Å; R281-E332 IonicContact CZ-OE2 2.74Å; R281-E332 IonicContact NE-OE1 3.63Å; R281-E332 IonicContact NE-OE2 3.43Å; R281-E332 PolarHBondContact NE-OE2 2.91Å; R281-E332 IonicContact NH2-OE1 3.42Å; R281-E332 PolarHBondContact NH2-OE1 3.31Å; R281-E332 IonicContact NH2-OE2 3.65Å; R281-E332 PolarHBondContact NH2-OE2 3.02Å
282	V	98.5	Very high	93.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.9	-169.6	-167.7	0	0	0	0	110.9	E199 Q200 L202 F237 A280 I284 V323 Q328 I329	E199-V282 WeakPolarHBondContact CA-O 3.48Å; Q200-V282 PolarHBondContact N-O 3.19Å; Q200-V282 PolarHBondContact O-N 2.84Å; L202-V282 HydrophobicContact CB-CG2 4.3Å; L202-V282 HydrophobicContact CD1-CB 4.18Å; L202-V282 HydrophobicContact CD1-CG2 4.18Å; F237-V282 HydrophobicContact CD1-CG2 4Å; F237-V282 HydrophobicContact CD2-CG1 4.49Å; F237-V282 HydrophobicContact CD2-CG2 4.27Å; F237-V282 HydrophobicContact CE1-CG2 4.13Å; F237-V282 HydrophobicContact CE2-CG2 4.38Å; F237-V282 HydrophobicContact CG-CG2 4.1Å; F237-V282 HydrophobicContact CZ-CG2 4.35Å; A280-V282 HydrophobicContact CB-CG2 4.16Å; V282-I284 HydrophobicContact CB-CD1 4.08Å; V282-I284 HydrophobicContact CG1-CD1 3.54Å; V282-I284 HydrophobicContact CG1-CG1 4.36Å; V282-I284 PolarHBondContact O-N 3.33Å; V282-I284 VanDerWaalsContact O-N 3.14Å; V282-V323 HydrophobicContact CG1-CG2 3.57Å; V282-Q328 WeakPolarHBondContact CA-O 3.23Å; V282-I329 HydrophobicContact CG1-CG1 4.3Å; V282-I329 HydrophobicContact CG2-CG2 4.39Å
283	L	98.2	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	88	172.5	-56.6	177.6	0	0	0	109.4	F181 K184 K185 L188 I197 E199 Q328	F181-L283 HydrophobicContact CD2-CD1 4.37Å; F181-L283 HydrophobicContact CD2-CG 4.27Å; F181-L283 HydrophobicContact CE1-CD2 4.38Å; F181-L283 HydrophobicContact CE2-CD1 4.07Å; F181-L283 HydrophobicContact CE2-CD2 3.85Å; F181-L283 HydrophobicContact CE2-CG 3.52Å; F181-L283 HydrophobicContact CZ-CD1 4.38Å; F181-L283 HydrophobicContact CZ-CD2 3.54Å; F181-L283 HydrophobicContact CZ-CG 3.78Å; K184-L283 HydrophobicContact CB-CD1 4.21Å; K184-L283 HydrophobicContact CG-CD1 4.02Å; K185-L283 HydrophobicContact CB-CD1 3.73Å; K185-L283 HydrophobicContact CB-CD2 4.05Å; K185-L283 HydrophobicContact CD-CD2 4.03Å; K185-L283 HydrophobicContact CG-CD1 4.41Å; K185-L283 HydrophobicContact CG-CD2 3.88Å; L188-L283 HydrophobicContact CD1-CB 4.08Å; L188-L283 HydrophobicContact CD1-CD1 4.09Å; I197-L283 HydrophobicContact CG2-CB 4.47Å; I197-L283 HydrophobicContact CG2-CD2 4.44Å; E199-L283 HydrophobicContact CB-CD2 4.23Å; E199-L283 HydrophobicContact CG-CD2 4.16Å; L283-Q328 HydrophobicContact CB-CB 4.07Å; L283-Q328 HydrophobicContact CB-CG 4.24Å; L283-Q328 PolarHBondContact N-O 3.06Å; L283-Q328 PolarHBondContact O-NE2 2.89Å
284	I	97.9	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.			trans	-71.3	-38.5	-179.9	-62.1	-54.7	0	0	0	111.4	N198 Q200 L202 V282 Y287 D309 S310 F321 V323	N198-I284 WeakPolarHBondContact ND2-CG2 3.3Å; N198-I284 PolarHBondContact O-N 3.44Å; Q200-I284 HydrophobicContact CB-CG1 4.28Å; Q200-I284 HydrophobicContact CG-CG1 4.23Å; L202-I284 HydrophobicContact CD1-CD1 3.74Å; L202-I284 HydrophobicContact CD1-CG1 4.23Å; V282-I284 HydrophobicContact CB-CD1 4.08Å; V282-I284 HydrophobicContact CG1-CD1 3.54Å; V282-I284 HydrophobicContact CG1-CG1 4.36Å; V282-I284 PolarHBondContact O-N 3.33Å; V282-I284 VanDerWaalsContact O-N 3.14Å; I284-Y287 HydrophobicContact CG2-CD1 3.62Å; I284-Y287 HydrophobicContact CG2-CE1 4.35Å; I284-Y287 HydrophobicContact CG2-CG 4.29Å; I284-D309 WeakPolarHBondContact O-CB 3.49Å; I284-S310 WeakPolarHBondContact CG2-OG 3.39Å; I284-S310 PolarHBondContact O-OG 3.45Å; I284-F321 HydrophobicContact CD1-CB 3.84Å; I284-F321 HydrophobicContact CD1-CD1 3.63Å; I284-F321 HydrophobicContact CD1-CE1 4.41Å; I284-F321 HydrophobicContact CD1-CG 3.88Å; I284-F321 HydrophobicContact CG1-CD1 4.03Å; I284-F321 HydrophobicContact CG1-CE1 4.34Å; I284-F321 HydrophobicContact CG2-CD1 3.82Å; I284-F321 HydrophobicContact CG2-CE1 3.92Å; I284-V323 HydrophobicContact CD1-CG2 4.27Å
285	G	96	Very high	96.1	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	20%	0.201	C	C	.	.			trans	55.4	-142.1	-176.7	0	0	0	0	0	112.1	N198	N198-G285 PolarHBondContact ND2-O 3.17Å; N198-G285 PolarHBondContact O-N 3.25Å
286	D	95.4	Very high	96.2	Very high	72 Å²	72	43.6 Å²	43.6	39%	0.385	21%	0.21	S	C	.	.	S	Bend	trans	-82.4	131.9	173.5	-60.9	-38.5	0	0	0	110.1	R192 K300 Y308 D309 S310	R192-D286 IonicContact NE-OD2 3.92Å; D286-K300 VanDerWaalsContact CB-NZ 3.29Å; D286-K300 IonicContact OD2-NZ 3.24Å; D286-K300 PolarHBondContact OD2-NZ 2.94Å; D286-Y308 HydrophobicContact CB-CD1 4.07Å; D286-D309 PolarHBondContact N-OD2 3.16Å; D286-D309 PolarHBondContact O-N 2.66Å; D286-S310 PolarHBondContact O-N 3.17Å
287	Y	97.4	Very high	96.2	Very high	73 Å²	73	44 Å²	44	29%	0.286	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	163.3	-175.4	56.8	-94	0	0	0	112.9	I284 Y308 S310 V312 T315 P318	I284-Y287 HydrophobicContact CG2-CD1 3.62Å; I284-Y287 HydrophobicContact CG2-CE1 4.35Å; I284-Y287 HydrophobicContact CG2-CG 4.29Å; Y287-Y308 WeakPolarHBondContact O-CD1 3.48Å; Y287-Y308 WeakPolarHBondContact O-CE1 3.36Å; Y287-S310 WeakPolarHBondContact CA-O 3.39Å; Y287-S310 WeakPolarHBondContact CB-OG 3.36Å; Y287-V312 HydrophobicContact CD2-CB 4.37Å; Y287-V312 HydrophobicContact CD2-CG1 3.8Å; Y287-V312 HydrophobicContact CD2-CG2 3.62Å; Y287-V312 HydrophobicContact CE2-CG2 4.27Å; Y287-V312 HydrophobicContact CG-CG1 3.98Å; Y287-V312 HydrophobicContact CG-CG2 4.48Å; Y287-T315 HydrophobicContact CD2-CG2 4.35Å; Y287-P318 HydrophobicContact CE2-CG 4.34Å
288	I	97.9	Very high	96.1	Very high	46 Å²	46	45.2 Å²	45.2	24%	0.236	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.7	-177.5	-171.9	71.7	0	0	0	109	G290 P298 Y308 S310 C311 V312	I288-G290 PolarHBondContact O-N 3.05Å; I288-P298 HydrophobicContact CG2-CG 3.45Å; I288-P298 VanDerWaalsContact CG2-CG 3.45Å; I288-Y308 HydrophobicContact CB-CD1 3.93Å; I288-Y308 HydrophobicContact CB-CD2 3.8Å; I288-Y308 HydrophobicContact CB-CE1 3.95Å; I288-Y308 HydrophobicContact CB-CE2 3.81Å; I288-Y308 HydrophobicContact CB-CG 3.87Å; I288-Y308 HydrophobicContact CD1-CE1 4.44Å; I288-Y308 HydrophobicContact CD1-CE2 4.01Å; I288-Y308 HydrophobicContact CG1-CD2 4.31Å; I288-Y308 HydrophobicContact CG1-CE2 3.92Å; I288-Y308 HydrophobicContact CG2-CD1 4.25Å; I288-Y308 HydrophobicContact CG2-CD2 3.65Å; I288-Y308 HydrophobicContact CG2-CE2 4.14Å; I288-Y308 HydrophobicContact CG2-CG 3.72Å; I288-S310 PolarHBondContact N-O 2.95Å; I288-C311 CarbonylContact O-C 3.44Å; I288-C311 VanDerWaalsContact O-CA 3.24Å; I288-C311 WeakPolarHBondContact O-CA 3.4Å; I288-V312 WeakPolarHBondContact O-CG2 3.24Å; I288-V312 PolarHBondContact O-N 3.1Å
289	N	98	Very high	95.9	Very high	67 Å²	67	47 Å²	47	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	134.8	172	-66.3	88.2	0	0	0	111	V312 D313 T315	N289-V312 CarbonylContact C-O 3.54Å; N289-V312 WeakPolarHBondContact CA-O 3.2Å; N289-D313 PolarHBondContact ND2-O 3.4Å; N289-T315 WeakPolarHBondContact OD1-CG2 3.44Å; N289-T315 PolarHBondContact OD1-OG1 3.08Å; N289-T315 VanDerWaalsContact OD1-OG1 3.1Å
290	G	96.8	Very high	95.6	Very high	19 Å²	19	50.4 Å²	50.4	20%	0.196	25%	0.248	C	C	.	.			trans	-81.2	160.1	179.5	0	0	0	0	0	113.7	F231 I288 V312	F231-G290 WeakPolarHBondContact O-CA 3.49Å; I288-G290 PolarHBondContact O-N 3.05Å; G290-V312 PolarHBondContact N-O 2.88Å
291	D	95.3	Very high	95.2	Very high	54 Å²	54	55 Å²	55	29%	0.289	27%	0.272	S	S	.	.			trans	-136.8	138.4	171.7	-175.4	-55.3	0	0	0	108.4	V230 F231 G232 K293 Y294	V230-D291 CarbonylContact O-C 3.52Å; F231-D291 CarbonylContact C-O 3.46Å; G232-D291 VanDerWaalsContact CA-O 3.23Å; G232-D291 WeakPolarHBondContact CA-O 3.24Å; G232-D291 PolarHBondContact N-O 2.87Å; D291-K293 PolarHBondContact O-N 3.05Å; D291-K293 WeakPolarHBondContact OD1-CB 3.15Å; D291-K293 VanDerWaalsContact OD1-CG 3.26Å; D291-K293 WeakPolarHBondContact OD1-CG 3.22Å; D291-K293 PolarHBondContact OD1-N 3.24Å; D291-Y294 HydrophobicContact CB-CD1 4.16Å; D291-Y294 HydrophobicContact CB-CD2 3.8Å; D291-Y294 HydrophobicContact CB-CE1 3.95Å; D291-Y294 HydrophobicContact CB-CE2 3.57Å; D291-Y294 HydrophobicContact CB-CG 4.09Å; D291-Y294 VanDerWaalsContact N-CD2 3.29Å; D291-Y294 WeakPolarHBondContact O-CB 3.41Å; D291-Y294 PolarHBondContact O-N 2.85Å
292	S	93.6	Very high	94.6	Very high	59 Å²	59	55.6 Å²	55.6	41%	0.413	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-26.7	177.3	64.7	0	0	0	0	115.6	A229 V230 Y294	A229-S292 WeakPolarHBondContact O-CA 3.5Å; A229-S292 VanDerWaalsContact O-CB 3.23Å; A229-S292 WeakPolarHBondContact O-CB 3.09Å; V230-S292 WeakPolarHBondContact O-CA 3.45Å; V230-S292 PolarHBondContact O-N 3.29Å; S292-Y294 VanDerWaalsContact C-N 3.35Å
293	K	93.4	Very high	94	Very high	160 Å²	160	57.3 Å²	57.3	70%	0.696	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-19	-179	-60.1	167.8	-171.9	171.5	0	112.6	D291 M295	D291-K293 PolarHBondContact O-N 3.05Å; D291-K293 WeakPolarHBondContact OD1-CB 3.15Å; D291-K293 VanDerWaalsContact OD1-CG 3.26Å; D291-K293 WeakPolarHBondContact OD1-CG 3.22Å; D291-K293 PolarHBondContact OD1-N 3.24Å; K293-M295 PolarHBondContact O-N 3.16Å
294	Y	93.8	Very high	93	Very high	75 Å²	75	66.5 Å²	66.5	29%	0.294	34%	0.344	S	S	.	.			trans	-69	124.1	-174.5	-65.2	-20.4	0	0	0	111.6	G232 K233 D291 S292 P298	G232-Y294 CarbonylContact C-O 3.57Å; G232-Y294 WeakPolarHBondContact CA-O 3.45Å; K233-Y294 PolarHBondContact N-O 3.01Å; D291-Y294 HydrophobicContact CB-CD1 4.16Å; D291-Y294 HydrophobicContact CB-CD2 3.8Å; D291-Y294 HydrophobicContact CB-CE1 3.95Å; D291-Y294 HydrophobicContact CB-CE2 3.57Å; D291-Y294 HydrophobicContact CB-CG 4.09Å; D291-Y294 VanDerWaalsContact N-CD2 3.29Å; D291-Y294 WeakPolarHBondContact O-CB 3.41Å; D291-Y294 PolarHBondContact O-N 2.85Å; S292-Y294 VanDerWaalsContact C-N 3.35Å; Y294-P298 HydrophobicContact CD2-CG 4.33Å; Y294-P298 HydrophobicContact CE1-CB 4.18Å; Y294-P298 HydrophobicContact CE2-CB 4.12Å; Y294-P298 HydrophobicContact CE2-CG 3.75Å
295	M	91.3	Very high	92.1	Very high	108 Å²	108	71.7 Å²	71.7	53%	0.532	38%	0.376	S	S	.	.	S	Bend	trans	-97.9	-9.5	170.8	-60.1	-68.2	-53.7	0	0	112.2	W221 K233 K293 F324	W221-M295 HydrophobicContact CH2-CE 3.79Å; W221-M295 HydrophobicContact CZ2-CE 4.32Å; K233-M295 HydrophobicContact CB-SD 4.06Å; K233-M295 HydrophobicContact CD-CE 4.18Å; K233-M295 HydrophobicContact CD-SD 3.12Å; K233-M295 WeakPolarHBondContact CD-SD 3.47Å; K233-M295 HydrophobicContact CG-SD 4.22Å; K293-M295 PolarHBondContact O-N 3.16Å; M295-F324 WeakPolarHBondContact O-CD1 3.49Å
296	R	92.7	Very high	91.7	Very high	119 Å²	119	74 Å²	74	45%	0.449	39%	0.387	S	S	.	.	S	Bend	trans	-159	164.5	178.2	67.4	-179.2	-166.8	153.3	10.6	108.1
297	P	93.9	Very high	91.5	Very high	13 Å²	13	71.6 Å²	71.6	8%	0.084	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.4	142.4	176.2	-22.6	33.7	0	0	0	111.5	Y308 F324	P297-Y308 WeakPolarHBondContact CB-O 3.38Å; P297-F324 VanDerWaalsContact CD-CD2 3.4Å; P297-F324 HydrophobicContact CG-CD2 3.57Å; P297-F324 HydrophobicContact CG-CE2 3.98Å; P297-F324 HydrophobicContact CG-CG 4.4Å
298	P	94.4	Very high	91.4	Very high	24 Å²	24	70.8 Å²	70.8	16%	0.156	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.3	170.5	-179.1	32.9	-36.8	0	0	0	111.6	I288 Y294 L307 Y308	I288-P298 HydrophobicContact CG2-CG 3.45Å; I288-P298 VanDerWaalsContact CG2-CG 3.45Å; Y294-P298 HydrophobicContact CD2-CG 4.33Å; Y294-P298 HydrophobicContact CE1-CB 4.18Å; Y294-P298 HydrophobicContact CE2-CB 4.12Å; Y294-P298 HydrophobicContact CE2-CG 3.75Å; P298-L307 CarbonylContact O-C 3.55Å; P298-L307 WeakPolarHBondContact O-CA 3.15Å; P298-Y308 HydrophobicContact CG-CD2 4.17Å; P298-Y308 WeakPolarHBondContact O-CD2 3.5Å; P298-Y308 PolarHBondContact O-N 3.4Å
299	S	93.9	Very high	91.3	Very high	39 Å²	39	68.9 Å²	68.9	27%	0.273	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-75.3	146.6	176.7	-174.6	0	0	0	0	112.2	D301 G302 S303 N306	S299-D301 PolarHBondContact OG-N 3.16Å; S299-D301 PolarHBondContact OG-OD1 2.63Å; S299-G302 WeakPolarHBondContact OG-CA 3.36Å; S299-G302 PolarHBondContact OG-N 3.05Å; S299-S303 WeakPolarHBondContact CB-O 3.43Å; S299-S303 PolarHBondContact OG-N 2.8Å; S299-S303 PolarHBondContact OG-O 3.12Å; S299-N306 PolarHBondContact OG-O 2.66Å
300	K	91.8	Very high	91.3	Very high	70 Å²	70	65.7 Å²	65.7	30%	0.304	34%	0.344	S	S	.	.	S	Bend	trans	-83	-28.3	172.9	-61.1	-167.1	176.9	-173.9	0	113.3	D286 N306 L307 Y308	D286-K300 VanDerWaalsContact CB-NZ 3.29Å; D286-K300 IonicContact OD2-NZ 3.24Å; D286-K300 PolarHBondContact OD2-NZ 2.94Å; K300-N306 PolarHBondContact N-O 3.18Å; K300-L307 WeakPolarHBondContact CE-O 3.41Å; K300-Y308 HydrophobicContact CB-CE2 4.19Å; K300-Y308 HydrophobicContact CD-CD1 4.42Å; K300-Y308 HydrophobicContact CD-CE1 4.27Å; K300-Y308 HydrophobicContact CG-CD1 4.22Å; K300-Y308 HydrophobicContact CG-CD2 3.66Å; K300-Y308 HydrophobicContact CG-CE1 4.1Å; K300-Y308 HydrophobicContact CG-CE2 3.54Å; K300-Y308 HydrophobicContact CG-CG 4.01Å
301	D	90.3	Very high	91.4	Very high	96 Å²	96	64.8 Å²	64.8	51%	0.513	34%	0.335	S	S	.	.	S	Bend	trans	-134.9	11.3	-169.4	58.1	13	0	0	0	113	S299 S303 N306	S299-D301 PolarHBondContact OG-N 3.16Å; S299-D301 PolarHBondContact OG-OD1 2.63Å; D301-S303 PolarHBondContact O-N 3Å; D301-S303 WeakPolarHBondContact OD1-CA 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.4Å; D301-S303 PolarHBondContact OD1-N 2.55Å; D301-S303 PolarHBondContact OD1-OG 3.21Å; D301-N306 VanDerWaalsContact OD2-CB 3.22Å; D301-N306 WeakPolarHBondContact OD2-CB 3.44Å; D301-N306 PolarHBondContact OD2-ND2 3.02Å
302	G	85.4	Confident	91.5	Very high	69 Å²	69	62.2 Å²	62.2	71%	0.711	32%	0.321	S	S	*	.	S	Bend	trans	81.4	-6.3	-175.1	0	0	0	0	0	114.3	S299	S299-G302 WeakPolarHBondContact OG-CA 3.36Å; S299-G302 PolarHBondContact OG-N 3.05Å
303	S	85.9	Confident	91.7	Very high	36 Å²	36	61.2 Å²	61.2	25%	0.252	31%	0.311	S	S	.	.			trans	-80.4	161.9	175.3	79.7	0	0	0	0	112.9	S299 D301 V305 N306	S299-S303 WeakPolarHBondContact CB-O 3.43Å; S299-S303 PolarHBondContact OG-N 2.8Å; S299-S303 PolarHBondContact OG-O 3.12Å; D301-S303 PolarHBondContact O-N 3Å; D301-S303 WeakPolarHBondContact OD1-CA 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.4Å; D301-S303 PolarHBondContact OD1-N 2.55Å; D301-S303 PolarHBondContact OD1-OG 3.21Å; S303-V305 VanDerWaalsContact C-N 3.32Å; S303-V305 WeakPolarHBondContact OG-CG2 3.4Å; S303-V305 PolarHBondContact OG-N 3.08Å; S303-N306 PolarHBondContact OG-N 3.19Å
304	Y	77.9	Confident	91.8	Very high	194 Å²	194	56.1 Å²	56.1	76%	0.761	29%	0.292	S	S	*	.	S	Bend	trans	-81.7	-8.8	174.7	-70.7	-84.9	0	0	0	114.1
305	V	79.8	Confident	92	Very high	109 Å²	109	54.6 Å²	54.6	66%	0.661	29%	0.29	S	S	*	.	S	Bend	trans	-101.4	-38.8	-171.3	-64.1	0	0	0	0	112.3	K191 S303 L307	K191-V305 WeakPolarHBondContact CE-O 3.25Å; K191-V305 PolarHBondContact NZ-O 3.23Å; K191-V305 VanDerWaalsContact NZ-O 3.16Å; S303-V305 VanDerWaalsContact C-N 3.32Å; S303-V305 WeakPolarHBondContact OG-CG2 3.4Å; S303-V305 PolarHBondContact OG-N 3.08Å; V305-L307 PolarHBondContact O-N 3.49Å
306	N	86.4	Confident	92.2	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.273	31%	0.306	S	S	.	.	S	Bend	trans	-96.2	75	-176.9	-170.3	18.8	0	0	0	110.9	R192 S299 K300 D301 S303	R192-N306 PolarHBondContact NH1-OD1 2.92Å; S299-N306 PolarHBondContact OG-O 2.66Å; K300-N306 PolarHBondContact N-O 3.18Å; D301-N306 VanDerWaalsContact OD2-CB 3.22Å; D301-N306 WeakPolarHBondContact OD2-CB 3.44Å; D301-N306 PolarHBondContact OD2-ND2 3.02Å; S303-N306 PolarHBondContact OG-N 3.19Å
307	L	90.9	Very high	92.4	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.115	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-87.1	163.6	177	-52.7	179.3	0	0	0	110.8	R192 P298 K300 V305	R192-L307 PolarHBondContact NH1-O 2.96Å; R192-L307 PolarHBondContact NH2-O 2.91Å; P298-L307 CarbonylContact O-C 3.55Å; P298-L307 WeakPolarHBondContact O-CA 3.15Å; K300-L307 WeakPolarHBondContact CE-O 3.41Å; V305-L307 PolarHBondContact O-N 3.49Å
308	Y	96	Very high	92.5	Very high	56 Å²	56	58.9 Å²	58.9	22%	0.22	31%	0.307	C	S	.	.			trans	-67.8	172.3	156.3	-73.2	-85.7	0	0	0	110.7	D286 Y287 I288 P297 P298 K300	D286-Y308 HydrophobicContact CB-CD1 4.07Å; Y287-Y308 WeakPolarHBondContact O-CD1 3.48Å; Y287-Y308 WeakPolarHBondContact O-CE1 3.36Å; I288-Y308 HydrophobicContact CB-CD1 3.93Å; I288-Y308 HydrophobicContact CB-CD2 3.8Å; I288-Y308 HydrophobicContact CB-CE1 3.95Å; I288-Y308 HydrophobicContact CB-CE2 3.81Å; I288-Y308 HydrophobicContact CB-CG 3.87Å; I288-Y308 HydrophobicContact CD1-CE1 4.44Å; I288-Y308 HydrophobicContact CD1-CE2 4.01Å; I288-Y308 HydrophobicContact CG1-CD2 4.31Å; I288-Y308 HydrophobicContact CG1-CE2 3.92Å; I288-Y308 HydrophobicContact CG2-CD1 4.25Å; I288-Y308 HydrophobicContact CG2-CD2 3.65Å; I288-Y308 HydrophobicContact CG2-CE2 4.14Å; I288-Y308 HydrophobicContact CG2-CG 3.72Å; P297-Y308 WeakPolarHBondContact CB-O 3.38Å; P298-Y308 HydrophobicContact CG-CD2 4.17Å; P298-Y308 WeakPolarHBondContact O-CD2 3.5Å; P298-Y308 PolarHBondContact O-N 3.4Å; K300-Y308 HydrophobicContact CB-CE2 4.19Å; K300-Y308 HydrophobicContact CD-CD1 4.42Å; K300-Y308 HydrophobicContact CD-CE1 4.27Å; K300-Y308 HydrophobicContact CG-CD1 4.22Å; K300-Y308 HydrophobicContact CG-CD2 3.66Å; K300-Y308 HydrophobicContact CG-CE1 4.1Å; K300-Y308 HydrophobicContact CG-CE2 3.54Å; K300-Y308 HydrophobicContact CG-CG 4.01Å
309	D	96.4	Very high	92.7	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	32%	0.319	C	S	.	.	S	Bend	trans	-102.6	-25.3	179.6	-60.6	-52.3	0	0	0	112	R192 I284 D286 Q328	R192-D309 IonicContact CZ-OD1 3.43Å; R192-D309 IonicContact CZ-OD2 3.65Å; R192-D309 IonicContact NE-OD1 3.18Å; R192-D309 IonicContact NE-OD2 2.93Å; R192-D309 PolarHBondContact NE-OD2 3.37Å; R192-D309 IonicContact NH2-OD1 2.89Å; R192-D309 PolarHBondContact NH2-OD1 2.94Å; R192-D309 IonicContact NH2-OD2 2.66Å; R192-D309 PolarHBondContact NH2-OD2 3.33Å; R192-D309 VanDerWaalsContact NH2-OD2 3.16Å; I284-D309 WeakPolarHBondContact O-CB 3.49Å; D286-D309 PolarHBondContact N-OD2 3.16Å; D286-D309 PolarHBondContact O-N 2.66Å; D309-Q328 PolarHBondContact O-NE2 3.18Å
310	S	97.8	Very high	92.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	171.5	176.7	59.6	0	0	0	0	112.2	I284 D286 Y287 I288 V322	I284-S310 WeakPolarHBondContact CG2-OG 3.39Å; I284-S310 PolarHBondContact O-OG 3.45Å; D286-S310 PolarHBondContact O-N 3.17Å; Y287-S310 WeakPolarHBondContact CA-O 3.39Å; Y287-S310 WeakPolarHBondContact CB-OG 3.36Å; I288-S310 PolarHBondContact N-O 2.95Å; S310-V322 WeakPolarHBondContact CB-O 3.38Å
311	C	98.1	Very high	93.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154	172.6	-67.2	0	0	0	0	111	I288 F321 V322 F324	I288-C311 CarbonylContact O-C 3.44Å; I288-C311 VanDerWaalsContact O-CA 3.24Å; I288-C311 WeakPolarHBondContact O-CA 3.4Å; C311-F321 CarbonylContact O-C 3.58Å; C311-F321 WeakPolarHBondContact O-CA 3.35Å; C311-V322 HydrophobicContact CB-CB 4.26Å; C311-V322 PolarHBondContact N-O 2.93Å; C311-V322 PolarHBondContact O-N 2.8Å; C311-F324 HydrophobicContact CB-CE2 4.1Å; C311-F324 HydrophobicContact CB-CZ 4.27Å
312	V	98.2	Very high	93.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.4	178.5	-64.8	0	0	0	0	112.5	Y287 I288 N289 G290 D314 T315 P318 I320 F321	Y287-V312 HydrophobicContact CD2-CB 4.37Å; Y287-V312 HydrophobicContact CD2-CG1 3.8Å; Y287-V312 HydrophobicContact CD2-CG2 3.62Å; Y287-V312 HydrophobicContact CE2-CG2 4.27Å; Y287-V312 HydrophobicContact CG-CG1 3.98Å; Y287-V312 HydrophobicContact CG-CG2 4.48Å; I288-V312 WeakPolarHBondContact O-CG2 3.24Å; I288-V312 PolarHBondContact O-N 3.1Å; N289-V312 CarbonylContact C-O 3.54Å; N289-V312 WeakPolarHBondContact CA-O 3.2Å; G290-V312 PolarHBondContact N-O 2.88Å; V312-D314 WeakPolarHBondContact CG2-O 3.45Å; V312-T315 HydrophobicContact CG2-CG2 3.93Å; V312-P318 HydrophobicContact CB-CB 3.9Å; V312-P318 HydrophobicContact CG1-CB 3.79Å; V312-P318 HydrophobicContact CG2-CB 4.39Å; V312-I320 VanDerWaalsContact CA-O 3.22Å; V312-I320 WeakPolarHBondContact CA-O 3.23Å; V312-I320 WeakPolarHBondContact CB-O 3.4Å; V312-F321 HydrophobicContact CG1-CD1 3.39Å; V312-F321 HydrophobicContact CG1-CE1 3.67Å; V312-F321 HydrophobicContact CG1-CG 4.17Å
313	D	97.2	Very high	94	Very high	38 Å²	38	50 Å²	50	20%	0.203	24%	0.237	C	C	.	.	S	Bend	trans	-71.7	-46.9	170.6	60.3	-33.6	0	0	0	112.3	F231 N289 K319 I320	F231-D313 HydrophobicContact CD1-CB 4.49Å; F231-D313 HydrophobicContact CD2-CB 4.21Å; F231-D313 HydrophobicContact CE1-CB 3.95Å; F231-D313 HydrophobicContact CE2-CB 3.65Å; F231-D313 HydrophobicContact CZ-CB 3.51Å; N289-D313 PolarHBondContact ND2-O 3.4Å; D313-K319 PolarHBondContact OD1-N 2.98Å; D313-I320 HydrophobicContact CB-CB 4.08Å; D313-I320 HydrophobicContact CB-CD1 4.45Å; D313-I320 PolarHBondContact N-O 2.75Å; D313-I320 PolarHBondContact OD1-N 3.3Å
314	D	96.4	Very high	94.4	Very high	53 Å²	53	49.7 Å²	49.7	28%	0.283	23%	0.231	S	C	.	.			trans	-136.2	132.6	179.7	177.5	22.1	0	0	0	110.7	V312 W316 N317 P318	V312-D314 WeakPolarHBondContact CG2-O 3.45Å; D314-W316 PolarHBondContact OD1-N 3.33Å; D314-W316 VanDerWaalsContact OD1-N 3.08Å; D314-N317 PolarHBondContact OD2-N 3.26Å; D314-N317 VanDerWaalsContact OD2-N 3.11Å; D314-P318 WeakPolarHBondContact O-CA 3.24Å; D314-P318 VanDerWaalsContact O-CB 3.25Å; D314-P318 WeakPolarHBondContact O-CB 3.48Å; D314-P318 WeakPolarHBondContact O-CD 3.4Å
315	T	96.6	Very high	95.2	Very high	42 Å²	42	42.6 Å²	42.6	26%	0.258	21%	0.207	S	C	.	.	S	Bend	trans	-80	-19.4	-179.7	41.4	0	0	0	0	113.1	Y287 N289 V312	Y287-T315 HydrophobicContact CD2-CG2 4.35Å; N289-T315 WeakPolarHBondContact OD1-CG2 3.44Å; N289-T315 PolarHBondContact OD1-OG1 3.08Å; N289-T315 VanDerWaalsContact OD1-OG1 3.1Å; V312-T315 HydrophobicContact CG2-CG2 3.93Å
316	W	96.3	Very high	95.8	Very high	233 Å²	233	39 Å²	39	88%	0.883	19%	0.189	S	C	*	.	S	Bend	trans	-84.2	-41.5	175.6	-78.5	-78.7	0	0	0	112.9	D314	D314-W316 PolarHBondContact OD1-N 3.33Å; D314-W316 VanDerWaalsContact OD1-N 3.08Å
317	N	96.4	Very high	96.2	Very high	79 Å²	79	39 Å²	39	42%	0.422	19%	0.188	S	C	.	.	S	Bend	trans	-140.8	73	179.7	-175.7	18.8	0	0	0	111.2	R239 D314 K319	R239-N317 PolarHBondContact NH1-OD1 2.83Å; D314-N317 PolarHBondContact OD2-N 3.26Å; D314-N317 VanDerWaalsContact OD2-N 3.11Å; N317-K319 PolarHBondContact O-N 2.7Å
318	P	97.4	Very high	96.6	Very high	18 Å²	18	38.5 Å²	38.5	12%	0.117	19%	0.185	C	C	.	.			trans	-64.1	129.8	-174.8	25.5	-34.3	0	0	0	111.1	Y287 V312 D314 F321	Y287-P318 HydrophobicContact CE2-CG 4.34Å; V312-P318 HydrophobicContact CB-CB 3.9Å; V312-P318 HydrophobicContact CG1-CB 3.79Å; V312-P318 HydrophobicContact CG2-CB 4.39Å; D314-P318 WeakPolarHBondContact O-CA 3.24Å; D314-P318 VanDerWaalsContact O-CB 3.25Å; D314-P318 WeakPolarHBondContact O-CB 3.48Å; D314-P318 WeakPolarHBondContact O-CD 3.4Å; P318-F321 HydrophobicContact CB-CE1 3.79Å; P318-F321 HydrophobicContact CB-CE2 4.2Å; P318-F321 HydrophobicContact CB-CZ 3.56Å; P318-F321 HydrophobicContact CG-CE1 3.97Å; P318-F321 HydrophobicContact CG-CZ 3.68Å
319	K	97.3	Very high	96.7	Very high	96 Å²	96	35.8 Å²	35.8	42%	0.417	18%	0.175	S	C	.	.			trans	-113.2	-25.9	173.8	-62.6	179.4	-175.7	172.2	0	111.6	A238 R239 D313 N317	A238-K319 WeakPolarHBondContact CA-O 3.42Å; R239-K319 PolarHBondContact N-O 2.94Å; D313-K319 PolarHBondContact OD1-N 2.98Å; N317-K319 PolarHBondContact O-N 2.7Å
320	I	97.6	Very high	96.7	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.6	-179.2	-58.9	171.4	0	0	0	108.1	F231 Y236 F237 Y243 V312 D313	F231-I320 HydrophobicContact CD2-CG2 4.15Å; F231-I320 HydrophobicContact CE2-CD1 3.98Å; Y236-I320 HydrophobicContact CD1-CG2 3.67Å; Y236-I320 HydrophobicContact CE1-CG2 4.18Å; F237-I320 WeakPolarHBondContact O-CA 3.46Å; Y243-I320 HydrophobicContact CE1-CD1 4.07Å; Y243-I320 HydrophobicContact CE1-CG1 4.25Å; Y243-I320 HydrophobicContact CE2-CD1 4.27Å; V312-I320 VanDerWaalsContact CA-O 3.22Å; V312-I320 WeakPolarHBondContact CA-O 3.23Å; V312-I320 WeakPolarHBondContact CB-O 3.4Å; D313-I320 HydrophobicContact CB-CB 4.08Å; D313-I320 HydrophobicContact CB-CD1 4.45Å; D313-I320 PolarHBondContact N-O 2.75Å; D313-I320 PolarHBondContact OD1-N 3.3Å
321	F	97.9	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.9	177.4	-60.1	-96.7	0	0	0	109.3	L202 Y236 F237 I284 C311 V312 P318	L202-F321 HydrophobicContact CD1-CB 3.96Å; L202-F321 HydrophobicContact CD1-CD2 3.55Å; L202-F321 HydrophobicContact CD1-CE2 4.14Å; L202-F321 HydrophobicContact CD1-CG 3.76Å; L202-F321 HydrophobicContact CD2-CD2 3.85Å; L202-F321 HydrophobicContact CD2-CE2 3.74Å; L202-F321 HydrophobicContact CG-CD2 4.37Å; Y236-F321 CarbonylContact C-O 3.44Å; Y236-F321 WeakPolarHBondContact CA-O 3.49Å; F237-F321 HydrophobicContact CB-CB 4.46Å; F237-F321 PolarHBondContact N-O 3.35Å; F237-F321 PolarHBondContact O-N 3.1Å; I284-F321 HydrophobicContact CD1-CB 3.84Å; I284-F321 HydrophobicContact CD1-CD1 3.63Å; I284-F321 HydrophobicContact CD1-CE1 4.41Å; I284-F321 HydrophobicContact CD1-CG 3.88Å; I284-F321 HydrophobicContact CG1-CD1 4.03Å; I284-F321 HydrophobicContact CG1-CE1 4.34Å; I284-F321 HydrophobicContact CG2-CD1 3.82Å; I284-F321 HydrophobicContact CG2-CE1 3.92Å; C311-F321 CarbonylContact O-C 3.58Å; C311-F321 WeakPolarHBondContact O-CA 3.35Å; V312-F321 HydrophobicContact CG1-CD1 3.39Å; V312-F321 HydrophobicContact CG1-CE1 3.67Å; V312-F321 HydrophobicContact CG1-CG 4.17Å; P318-F321 HydrophobicContact CB-CE1 3.79Å; P318-F321 HydrophobicContact CB-CE2 4.2Å; P318-F321 HydrophobicContact CB-CZ 3.56Å; P318-F321 HydrophobicContact CG-CE1 3.97Å; P318-F321 HydrophobicContact CG-CZ 3.68Å
322	V	97.2	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	177.1	-172.1	0	0	0	0	109.2	F231 T235 Y236 S310 C311 F324	F231-V322 HydrophobicContact CB-CG2 3.72Å; T235-V322 WeakPolarHBondContact O-CA 3.17Å; Y236-V322 HydrophobicContact CD1-CG2 3.75Å; Y236-V322 HydrophobicContact CD2-CG1 4.34Å; Y236-V322 HydrophobicContact CD2-CG2 4.25Å; Y236-V322 HydrophobicContact CE1-CG2 3.43Å; Y236-V322 VanDerWaalsContact CE1-CG2 3.43Å; Y236-V322 HydrophobicContact CE2-CG1 3.96Å; Y236-V322 HydrophobicContact CE2-CG2 3.94Å; Y236-V322 HydrophobicContact CG-CG2 4.13Å; Y236-V322 VanDerWaalsContact CZ-CG2 3.49Å; S310-V322 WeakPolarHBondContact CB-O 3.38Å; C311-V322 HydrophobicContact CB-CB 4.26Å; C311-V322 PolarHBondContact N-O 2.93Å; C311-V322 PolarHBondContact O-N 2.8Å; V322-F324 HydrophobicContact CB-CE2 4.44Å; V322-F324 HydrophobicContact CB-CZ 4.43Å; V322-F324 HydrophobicContact CG1-CE1 4.18Å; V322-F324 HydrophobicContact CG1-CE2 4.14Å; V322-F324 HydrophobicContact CG1-CZ 3.85Å
323	V	96.8	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.1	-179.2	180	0	0	0	0	109.6	G234 T235 V282 I284 Q328 I329	G234-V323 CarbonylContact C-O 3.57Å; G234-V323 WeakPolarHBondContact CA-O 3.3Å; T235-V323 PolarHBondContact N-O 3.39Å; T235-V323 PolarHBondContact O-N 3.48Å; V282-V323 HydrophobicContact CG1-CG2 3.57Å; I284-V323 HydrophobicContact CD1-CG2 4.27Å; V323-Q328 HydrophobicContact CG1-CB 3.6Å; V323-Q328 HydrophobicContact CG1-CG 4.31Å; V323-I329 HydrophobicContact CB-CD1 4.24Å; V323-I329 HydrophobicContact CB-CG1 4.43Å; V323-I329 HydrophobicContact CG1-CD1 4.06Å; V323-I329 HydrophobicContact CG1-CG1 4.01Å
324	F	94.3	Very high	96.8	Very high	30 Å²	30	34.6 Å²	34.6	13%	0.132	17%	0.167	C	C	.	.			trans	-107.3	-13.9	-168.9	-57.3	-96.3	0	0	0	113.3	K233 M295 P297 C311 V322	K233-F324 WeakPolarHBondContact O-CD1 3.38Å; M295-F324 WeakPolarHBondContact O-CD1 3.49Å; P297-F324 VanDerWaalsContact CD-CD2 3.4Å; P297-F324 HydrophobicContact CG-CD2 3.57Å; P297-F324 HydrophobicContact CG-CE2 3.98Å; P297-F324 HydrophobicContact CG-CG 4.4Å; C311-F324 HydrophobicContact CB-CE2 4.1Å; C311-F324 HydrophobicContact CB-CZ 4.27Å; V322-F324 HydrophobicContact CB-CE2 4.44Å; V322-F324 HydrophobicContact CB-CZ 4.43Å; V322-F324 HydrophobicContact CG1-CE1 4.18Å; V322-F324 HydrophobicContact CG1-CE2 4.14Å; V322-F324 HydrophobicContact CG1-CZ 3.85Å
325	D	94.2	Very high	96.9	Very high	46 Å²	46	32 Å²	32	25%	0.246	15%	0.154	C	C	.	.			trans	-116.9	120.3	177.2	-176.6	-14.6	0	0	0	109.4	K184 N327 Q328	K184-D325 VanDerWaalsContact CE-OD2 3.23Å; K184-D325 WeakPolarHBondContact CE-OD2 3.37Å; K184-D325 IonicContact NZ-OD2 3.74Å; K184-D325 PolarHBondContact NZ-OD2 3.07Å; D325-N327 PolarHBondContact O-N 3.28Å; D325-N327 WeakPolarHBondContact OD1-CB 3.47Å; D325-N327 PolarHBondContact OD1-N 3.33Å; D325-N327 PolarHBondContact OD1-ND2 2.79Å; D325-Q328 HydrophobicContact CB-CG 4.33Å; D325-Q328 WeakPolarHBondContact O-CB 3.26Å; D325-Q328 PolarHBondContact O-N 3.34Å
326	A	93.4	Very high	96.8	Very high	34 Å²	34	30 Å²	30	28%	0.281	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-59.4	-29.6	-179.3	0	0	0	0	0	112.7	N218 Q328 I329	N218-A326 PolarHBondContact ND2-O 3.06Å; N218-A326 VanDerWaalsContact ND2-O 3.1Å; A326-Q328 PolarHBondContact O-N 2.67Å; A326-Q328 VanDerWaalsContact O-N 3.17Å; A326-I329 WeakPolarHBondContact O-CB 3.34Å; A326-I329 PolarHBondContact O-N 2.9Å
327	N	94.6	Very high	96.8	Very high	49 Å²	49	19 Å²	19	26%	0.262	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-71	-9.8	179.3	-54.1	-60.5	0	0	0	113	F180 F181 K184 D325 I329	F180-N327 HydrophobicContact CB-CB 4.5Å; F180-N327 WeakPolarHBondContact CB-OD1 3.35Å; F181-N327 WeakPolarHBondContact CA-O 3.5Å; K184-N327 HydrophobicContact CB-CB 4.01Å; K184-N327 WeakPolarHBondContact CB-O 3.4Å; K184-N327 HydrophobicContact CD-CB 4.28Å; K184-N327 HydrophobicContact CG-CB 4.15Å; K184-N327 WeakPolarHBondContact CG-O 3.25Å; D325-N327 PolarHBondContact O-N 3.28Å; D325-N327 WeakPolarHBondContact OD1-CB 3.47Å; D325-N327 PolarHBondContact OD1-N 3.33Å; D325-N327 PolarHBondContact OD1-ND2 2.79Å; N327-I329 PolarHBondContact O-N 3.14Å
328	Q	97.7	Very high	96.5	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-78	-3.1	169.2	-72.9	176.1	-110	0	0	112.6	K184 L188 V282 L283 D309 V323 D325 A326	K184-Q328 HydrophobicContact CD-CG 4.46Å; K184-Q328 HydrophobicContact CG-CG 3.94Å; L188-Q328 HydrophobicContact CD1-CG 4.35Å; V282-Q328 WeakPolarHBondContact CA-O 3.23Å; L283-Q328 HydrophobicContact CB-CB 4.07Å; L283-Q328 HydrophobicContact CB-CG 4.24Å; L283-Q328 PolarHBondContact N-O 3.06Å; L283-Q328 PolarHBondContact O-NE2 2.89Å; D309-Q328 PolarHBondContact O-NE2 3.18Å; V323-Q328 HydrophobicContact CG1-CB 3.6Å; V323-Q328 HydrophobicContact CG1-CG 4.31Å; D325-Q328 HydrophobicContact CB-CG 4.33Å; D325-Q328 WeakPolarHBondContact O-CB 3.26Å; D325-Q328 PolarHBondContact O-N 3.34Å; A326-Q328 PolarHBondContact O-N 2.67Å; A326-Q328 VanDerWaalsContact O-N 3.17Å
329	I	98.3	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.5	-170.1	-51	158.7	0	0	0	109.9	N218 F219 T235 F237 A280 R281 V282 V323 A326 N327	N218-I329 PolarHBondContact ND2-O 2.7Å; F219-I329 HydrophobicContact CB-CD1 4.35Å; F219-I329 HydrophobicContact CD2-CB 4.11Å; F219-I329 HydrophobicContact CD2-CD1 4.27Å; F219-I329 HydrophobicContact CD2-CG2 3.33Å; F219-I329 HydrophobicContact CE2-CG2 3.34Å; F219-I329 HydrophobicContact CG-CG2 4.48Å; F219-I329 HydrophobicContact CZ-CG2 4.49Å; T235-I329 HydrophobicContact CG2-CD1 4.28Å; F237-I329 HydrophobicContact CE1-CG2 4.21Å; F237-I329 HydrophobicContact CE2-CD1 3.55Å; F237-I329 HydrophobicContact CE2-CG1 3.94Å; F237-I329 HydrophobicContact CE2-CG2 4.33Å; F237-I329 HydrophobicContact CZ-CB 4.49Å; F237-I329 HydrophobicContact CZ-CD1 3.77Å; F237-I329 HydrophobicContact CZ-CG1 4.07Å; F237-I329 HydrophobicContact CZ-CG2 3.62Å; A280-I329 HydrophobicContact CB-CG2 3.99Å; R281-I329 WeakPolarHBondContact O-CA 3.21Å; V282-I329 HydrophobicContact CG1-CG1 4.3Å; V282-I329 HydrophobicContact CG2-CG2 4.39Å; V323-I329 HydrophobicContact CB-CD1 4.24Å; V323-I329 HydrophobicContact CB-CG1 4.43Å; V323-I329 HydrophobicContact CG1-CD1 4.06Å; V323-I329 HydrophobicContact CG1-CG1 4.01Å; A326-I329 WeakPolarHBondContact O-CB 3.34Å; A326-I329 PolarHBondContact O-N 2.9Å; N327-I329 PolarHBondContact O-N 3.14Å
330	Y	98	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.6	166.2	-175	-106.3	0	0	0	110	W129 I172 N174 L177 W178 A280 R281 E332	W129-Y330 WeakPolarHBondContact CH2-OH 3.21Å; W129-Y330 HydrophobicContact CZ2-CE1 4.08Å; W129-Y330 AromaticContact CZ2-CZ 3.67Å; W129-Y330 WeakPolarHBondContact CZ2-OH 3.43Å; I172-Y330 PolarHBondContact O-OH 2.76Å; I172-Y330 VanDerWaalsContact O-OH 3.04Å; N174-Y330 PolarHBondContact N-OH 3.39Å; N174-Y330 VanDerWaalsContact N-OH 3.08Å; N174-Y330 WeakPolarHBondContact O-CE2 3.3Å; N174-Y330 PolarHBondContact O-OH 2.92Å; L177-Y330 HydrophobicContact CB-CD2 4.06Å; L177-Y330 HydrophobicContact CB-CE2 3.95Å; W178-Y330 HydrophobicContact CB-CD2 4.29Å; W178-Y330 HydrophobicContact CB-CE2 3.81Å; W178-Y330 AromaticContact CE3-CD1 3.69Å; W178-Y330 HydrophobicContact CE3-CD1 3.69Å; W178-Y330 AromaticContact CE3-CD2 3.99Å; W178-Y330 HydrophobicContact CE3-CD2 3.99Å; W178-Y330 AromaticContact CE3-CE1 3.86Å; W178-Y330 HydrophobicContact CE3-CE1 3.86Å; W178-Y330 HydrophobicContact CE3-CE2 4.14Å; W178-Y330 AromaticContact CE3-CG 3.77Å; W178-Y330 HydrophobicContact CE3-CG 3.77Å; W178-Y330 AromaticContact CZ3-CD1 3.92Å; W178-Y330 HydrophobicContact CZ3-CD1 3.92Å; W178-Y330 HydrophobicContact CZ3-CE1 4.34Å; W178-Y330 HydrophobicContact CZ3-CG 4.21Å; A280-Y330 CarbonylContact C-O 3.57Å; A280-Y330 VanDerWaalsContact CA-O 3.32Å; A280-Y330 WeakPolarHBondContact CA-O 3.24Å; A280-Y330 WeakPolarHBondContact CB-O 3.22Å; R281-Y330 PolarHBondContact N-O 3.2Å; R281-Y330 PolarHBondContact O-N 3.32Å; Y330-E332 HydrophobicContact CD1-CB 3.83Å; Y330-E332 HydrophobicContact CD1-CG 4.14Å; Y330-E332 HydrophobicContact CE1-CB 4.08Å; Y330-E332 HydrophobicContact CE1-CG 4.09Å; Y330-E332 PolarHBondContact O-N 3.4Å
331	P	97.8	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	95.6	174.8	29.7	-31.5	0	0	0	108.7	I172 L177 I214 F219 F278	I172-P331 VanDerWaalsContact CB-O 3.24Å; I172-P331 WeakPolarHBondContact CB-O 3.21Å; I172-P331 HydrophobicContact CD1-CB 4.02Å; I172-P331 WeakPolarHBondContact CD1-O 3.32Å; L177-P331 HydrophobicContact CD1-CG 4.25Å; I214-P331 HydrophobicContact CG2-CB 4.19Å; I214-P331 HydrophobicContact CG2-CG 4.5Å; F219-P331 HydrophobicContact CE2-CB 3.71Å; F219-P331 HydrophobicContact CE2-CG 4.32Å; F219-P331 HydrophobicContact CZ-CB 3.91Å; F278-P331 HydrophobicContact CD1-CB 3.84Å; F278-P331 HydrophobicContact CE1-CB 4.08Å
332	E	97.8	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-39.5	-169.5	-165.3	166.3	-174.9	0	0	113.4	H128 I172 M201 L279 R281 Y330	H128-E332 IonicContact CE1-OE1 3.59Å; H128-E332 IonicContact NE2-OE1 3.16Å; I172-E332 PolarHBondContact N-O 3.23Å; M201-E332 HydrophobicContact CE-CB 4.16Å; M201-E332 WeakPolarHBondContact CE-OE2 3.4Å; L279-E332 PolarHBondContact O-N 3.47Å; R281-E332 IonicContact CZ-OE1 3.3Å; R281-E332 IonicContact CZ-OE2 2.74Å; R281-E332 IonicContact NE-OE1 3.63Å; R281-E332 IonicContact NE-OE2 3.43Å; R281-E332 PolarHBondContact NE-OE2 2.91Å; R281-E332 IonicContact NH2-OE1 3.42Å; R281-E332 PolarHBondContact NH2-OE1 3.31Å; R281-E332 IonicContact NH2-OE2 3.65Å; R281-E332 PolarHBondContact NH2-OE2 3.02Å; Y330-E332 HydrophobicContact CD1-CB 3.83Å; Y330-E332 HydrophobicContact CD1-CG 4.14Å; Y330-E332 HydrophobicContact CE1-CB 4.08Å; Y330-E332 HydrophobicContact CE1-CG 4.09Å; Y330-E332 PolarHBondContact O-N 3.4Å
333	Y	98.6	Very high	96.2	Very high	15 Å²	15	18.7 Å²	18.7	6%	0.059	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141	179.1	-56.9	-75.3	0	0	0	112	L143 E149 V153 I169 Q170 R171 M201 F278 L279	L143-Y333 HydrophobicContact CD1-CD1 4.03Å; L143-Y333 HydrophobicContact CD1-CE1 3.78Å; E149-Y333 HydrophobicContact CG-CE1 4.05Å; E149-Y333 VanDerWaalsContact CG-OH 3.31Å; E149-Y333 WeakPolarHBondContact CG-OH 3.43Å; E149-Y333 VanDerWaalsContact OE1-CE1 3.24Å; E149-Y333 WeakPolarHBondContact OE1-CE1 3.24Å; E149-Y333 PolarHBondContact OE1-OH 2.88Å; V153-Y333 HydrophobicContact CG1-CG 4.45Å; V153-Y333 HydrophobicContact CG2-CD1 4.09Å; V153-Y333 HydrophobicContact CG2-CD2 3.59Å; V153-Y333 HydrophobicContact CG2-CE1 4.12Å; V153-Y333 HydrophobicContact CG2-CE2 3.59Å; V153-Y333 HydrophobicContact CG2-CG 3.84Å; I169-Y333 HydrophobicContact CG2-CD1 4.19Å; Q170-Y333 CarbonylContact O-C 3.55Å; Q170-Y333 WeakPolarHBondContact O-CA 3.39Å; R171-Y333 HydrophobicContact CB-CD1 4.03Å; R171-Y333 HydrophobicContact CB-CE1 3.87Å; R171-Y333 HydrophobicContact CG-CD1 4.45Å; R171-Y333 HydrophobicContact CG-CE1 4.05Å; M201-Y333 HydrophobicContact CE-CD2 3.89Å; M201-Y333 HydrophobicContact CE-CE2 3.93Å; F278-Y333 CarbonylContact C-O 3.5Å; F278-Y333 VanDerWaalsContact CA-O 3.29Å; F278-Y333 WeakPolarHBondContact CA-O 3.27Å; L279-Y333 HydrophobicContact CD2-CD2 4.16Å; L279-Y333 PolarHBondContact N-O 3.27Å; L279-Y333 PolarHBondContact O-N 3.04Å
334	L	98.3	Very high	96.2	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124	164.9	-174.9	67.2	0	0	0	108.9	L140 Q170 I172 V211 F278	L140-L334 HydrophobicContact CD1-CD2 4.45Å; Q170-L334 PolarHBondContact N-O 2.87Å; Q170-L334 PolarHBondContact O-N 3.49Å; I172-L334 HydrophobicContact CD1-CB 4.26Å; V211-L334 HydrophobicContact CG1-CD1 3.91Å; V211-L334 HydrophobicContact CG1-CD2 3.68Å; V211-L334 HydrophobicContact CG1-CG 4.47Å; V211-L334 HydrophobicContact CG2-CD1 4.31Å; F278-L334 HydrophobicContact CD1-CD1 4.27Å; F278-L334 HydrophobicContact CD2-CD1 4.39Å; F278-L334 HydrophobicContact CE1-CD1 4.01Å; F278-L334 HydrophobicContact CE2-CD1 4.11Å; F278-L334 HydrophobicContact CG-CD1 4.46Å; F278-L334 HydrophobicContact CZ-CD1 3.93Å
335	I	98.1	Very high	96.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.6	179.2	-54.5	171.8	0	0	0	108	V153 F157 I166 I169 F203 S276 M277 L279	V153-I335 HydrophobicContact CG1-CD1 3.65Å; V153-I335 HydrophobicContact CG1-CG1 4.01Å; F157-I335 HydrophobicContact CD2-CD1 4.35Å; F157-I335 HydrophobicContact CD2-CG2 4.28Å; F157-I335 HydrophobicContact CE2-CG2 4.36Å; I166-I335 HydrophobicContact CG1-CG2 4.46Å; I166-I335 HydrophobicContact CG2-CG2 4.38Å; I169-I335 HydrophobicContact CG1-CG1 4.46Å; I169-I335 HydrophobicContact CG1-CG2 4.47Å; I169-I335 HydrophobicContact CG2-CG1 4.5Å; F203-I335 HydrophobicContact CD1-CD1 4.47Å; F203-I335 HydrophobicContact CE1-CD1 3.87Å; S276-I335 WeakPolarHBondContact CA-O 2.98Å; M277-I335 HydrophobicContact CG-CB 4.12Å; M277-I335 PolarHBondContact N-O 3.45Å; M277-I335 PolarHBondContact O-N 3.41Å; L279-I335 HydrophobicContact CB-CD1 4.11Å
336	D	95.7	Very high	96.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.3	171	-73	-22.8	0	0	0	109.1	K167 R168 Y274 K275 S276	K167-D336 WeakPolarHBondContact CA-O 3.35Å; K167-D336 HydrophobicContact CB-CB 4.35Å; K167-D336 WeakPolarHBondContact CB-O 3.34Å; K167-D336 PolarHBondContact N-O 3.14Å; R168-D336 HydrophobicContact CG-CB 3.85Å; R168-D336 IonicContact CZ-OD2 3.23Å; R168-D336 VanDerWaalsContact CZ-OD2 3.24Å; R168-D336 PolarHBondContact N-O 3.03Å; R168-D336 IonicContact NE-OD2 2.73Å; R168-D336 PolarHBondContact NE-OD2 3.37Å; R168-D336 IonicContact NH2-OD2 3.64Å; R168-D336 PolarHBondContact NH2-OD2 3.34Å; R168-D336 PolarHBondContact O-N 2.9Å; Y274-D336 HydrophobicContact CD2-CB 3.71Å; Y274-D336 HydrophobicContact CE2-CB 3.92Å; Y274-D336 VanDerWaalsContact CE2-CG 3.44Å; Y274-D336 WeakPolarHBondContact CE2-OD2 3.44Å; K275-D336 CarbonylContact O-C 3.57Å; K275-D336 VanDerWaalsContact O-CA 3.32Å; K275-D336 WeakPolarHBondContact O-CA 3.38Å; S276-D336 WeakPolarHBondContact CB-OD1 3.18Å; S276-D336 PolarHBondContact OG-OD1 3.4Å
337	F	95.3	Very high	96.8	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.9	-175.7	66.6	-79.7	0	0	0	112.3	F157 M161 R165 C248 Y274 K275 M277	F157-F337 HydrophobicContact CE2-CD1 4.31Å; F157-F337 HydrophobicContact CE2-CG 4.24Å; F157-F337 HydrophobicContact CZ-CB 4.1Å; F157-F337 HydrophobicContact CZ-CD2 4.21Å; F157-F337 HydrophobicContact CZ-CG 4.03Å; M161-F337 HydrophobicContact CE-CD2 4Å; M161-F337 HydrophobicContact CE-CE2 3.8Å; R165-F337 CarbonylContact O-C 3.55Å; R165-F337 WeakPolarHBondContact O-CA 3.12Å; R165-F337 VanDerWaalsContact O-CB 3.3Å; R165-F337 WeakPolarHBondContact O-CB 3.49Å; C248-F337 HydrophobicContact CB-CZ 4.11Å; Y274-F337 CarbonylContact C-O 3.15Å; Y274-F337 WeakPolarHBondContact CA-O 3.45Å; Y274-F337 WeakPolarHBondContact CB-O 3.41Å; K275-F337 HydrophobicContact CB-CD1 4.25Å; K275-F337 HydrophobicContact CB-CD2 4.32Å; K275-F337 HydrophobicContact CB-CE1 3.68Å; K275-F337 HydrophobicContact CB-CE2 3.79Å; K275-F337 HydrophobicContact CB-CZ 3.43Å; K275-F337 VanDerWaalsContact CB-CZ 3.43Å; K275-F337 HydrophobicContact CD-CE2 4.02Å; K275-F337 HydrophobicContact CD-CZ 4.11Å; K275-F337 HydrophobicContact CG-CZ 4.41Å; K275-F337 PolarHBondContact N-O 2.86Å; K275-F337 WeakPolarHBondContact O-CD1 3.3Å; K275-F337 PolarHBondContact O-N 3.05Å; M277-F337 HydrophobicContact CB-CE1 4.15Å; M277-F337 HydrophobicContact CE-CD1 4.09Å; M277-F337 HydrophobicContact CE-CE1 3.3Å; M277-F337 HydrophobicContact CE-CE2 4.17Å; M277-F337 HydrophobicContact CE-CZ 3.34Å; M277-F337 HydrophobicContact CG-CD1 4.29Å; M277-F337 HydrophobicContact CG-CE1 3.84Å; M277-F337 HydrophobicContact SD-CE1 4.33Å
338	H	91.3	Very high	97	Very high	108 Å²	108	12.7 Å²	12.7	50%	0.5	6%	0.058	S	C	.	.			trans	-86	0	175	-68.5	-68.8	0	0	0	111.6	R165 T273	R165-H338 PolarHBondContact NE-O 3.05Å; R165-H338 PolarHBondContact NH2-O 3.21Å; R165-H338 PolarHBondContact NH2-OXT 3.2Å; R165-H338 PolarHBondContact O-N 3.38Å; T273-H338 PolarHBondContact O-ND1 3.36Å

Retrieved 338 of 338 residues in 61.1 ms (Link to these results)

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