A0A096NXN7_PAPAN Loading...

2-phosphoxylose phosphatase 1

Responsible for the 2-O-dephosphorylation of xylose in the glycosaminoglycan-protein linkage region of proteoglycans thereby regulating the amount of mature glycosaminoglycan (GAG) chains. Sulfated glycosaminoglycans (GAGs), including heparan sulfate and chondroitin sulfate, are synthesized on the so-called common GAG-protein linkage region (GlcUAbeta1-3Galbeta1-3Galbeta1-4Xylbeta1-O-Ser) of core proteins, which is formed by the stepwise addition of monosaccharide residues by the respective specific glycosyltransferases. Xylose 2-O-dephosphorylation during completion of linkage region formation is a prerequisite for the initiation and efficient elongation of the repeating disaccharide region of GAG chains.

AlphaFold DB , UniProt , Accession A0A096NXN7, Species PAPAN (Papio anubis, Olive baboon), Gene PXYLP1, Length 480 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	46	Very low	62	Low	247 Å²	247	146.9 Å²	146.9	100%	1.217	68%	0.682	S	S	*	*				0	102.5	0	-75.5	-179.4	175.8	0	0	108.5
2	L	44.8	Very low	63.2	Low	159 Å²	159	139.7 Å²	139.7	83%	0.832	67%	0.667	S	S	*	*			trans	-67.8	132.9	171.9	-82.3	122.4	0	0	0	110.1
3	F	53.5	Low	64.5	Low	118 Å²	118	136.6 Å²	136.6	52%	0.518	66%	0.656	S	S	.	*			trans	31.5	102.8	155.7	-64.1	-91.2	0	0	0	119	L9	F3-L9 HydrophobicContact CB-CB 4.45Å; F3-L9 HydrophobicContact CB-CD1 4.41Å; F3-L9 HydrophobicContact CB-CD2 4.48Å; F3-L9 HydrophobicContact CD1-CB 3.72Å; F3-L9 HydrophobicContact CD1-CD1 3.62Å; F3-L9 HydrophobicContact CD1-CG 4.22Å; F3-L9 HydrophobicContact CD2-CD1 3.52Å; F3-L9 HydrophobicContact CE1-CB 4.15Å; F3-L9 HydrophobicContact CE1-CD1 3.58Å; F3-L9 HydrophobicContact CE1-CG 4.48Å; F3-L9 HydrophobicContact CE2-CD1 3.49Å; F3-L9 VanDerWaalsContact CE2-CD1 3.49Å; F3-L9 HydrophobicContact CG-CB 4.13Å; F3-L9 HydrophobicContact CG-CD1 3.58Å; F3-L9 HydrophobicContact CG-CD2 4.47Å; F3-L9 HydrophobicContact CG-CG 4.26Å; F3-L9 HydrophobicContact CZ-CD1 3.51Å
4	R	55.3	Low	65.6	Low	253 Å²	253	130.9 Å²	130.9	96%	0.955	64%	0.642	S	S	*	*	S	Bend	trans	-109.2	18.7	167.7	-142.5	176.2	168	-175.2	-4.7	114.1
5	N	64.9	Low	66.3	Low	109 Å²	109	126.5 Å²	126.5	58%	0.583	64%	0.635	S	S	*	*			trans	-132.7	92.4	164.4	-142.3	-10.6	0	0	0	109.5	F7 L8	N5-F7 PolarHBondContact O-N 2.93Å; N5-L8 PolarHBondContact O-N 3.28Å
6	R	64.1	Low	67.3	Low	207 Å²	207	126 Å²	126	78%	0.781	63%	0.634	S	S	*	*	H	α-helix	trans	-55.2	-25.9	-170.5	-72.8	179.5	167.6	-174.9	-4.2	113.2	L10	R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 WeakPolarHBondContact O-CD1 3.46Å; R6-L10 VanDerWaalsContact O-CG 3.25Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 2.96Å; R6-L10 VanDerWaalsContact O-N 3.12Å
7	F	69	Low	67.9	Low	141 Å²	141	124.7 Å²	124.7	62%	0.618	63%	0.629	S	S	*	*	H	α-helix	trans	-67.5	-42.2	-178.4	-168.9	-106.7	0	0	0	113.5	N5 L10 L11	N5-F7 PolarHBondContact O-N 2.93Å; F7-L10 PolarHBondContact O-N 3Å; F7-L11 HydrophobicContact CD1-CD1 3.64Å; F7-L11 HydrophobicContact CE1-CD1 3.3Å; F7-L11 HydrophobicContact CE1-CG 4.37Å; F7-L11 HydrophobicContact CZ-CD1 3.91Å; F7-L11 PolarHBondContact O-N 3.21Å
8	L	66.8	Low	68	Low	109 Å²	109	121.1 Å²	121.1	57%	0.571	62%	0.621	S	S	*	*	H	α-helix	trans	-73.5	-33.2	-179.2	-73.9	167.4	0	0	0	112.3	N5 L10 L11 A12	N5-L8 PolarHBondContact O-N 3.28Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.14Å; L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 2.76Å
9	L	72.7	Confident	68.2	Low	70 Å²	70	122.8 Å²	122.8	37%	0.366	62%	0.624	S	S	.	*	H	α-helix	trans	-63.6	-42.9	171.1	-173	78.1	0	0	0	110.7	F3 A12 L13	F3-L9 HydrophobicContact CB-CB 4.45Å; F3-L9 HydrophobicContact CB-CD1 4.41Å; F3-L9 HydrophobicContact CB-CD2 4.48Å; F3-L9 HydrophobicContact CD1-CB 3.72Å; F3-L9 HydrophobicContact CD1-CD1 3.62Å; F3-L9 HydrophobicContact CD1-CG 4.22Å; F3-L9 HydrophobicContact CD2-CD1 3.52Å; F3-L9 HydrophobicContact CE1-CB 4.15Å; F3-L9 HydrophobicContact CE1-CD1 3.58Å; F3-L9 HydrophobicContact CE1-CG 4.48Å; F3-L9 HydrophobicContact CE2-CD1 3.49Å; F3-L9 VanDerWaalsContact CE2-CD1 3.49Å; F3-L9 HydrophobicContact CG-CB 4.13Å; F3-L9 HydrophobicContact CG-CD1 3.58Å; F3-L9 HydrophobicContact CG-CD2 4.47Å; F3-L9 HydrophobicContact CG-CG 4.26Å; F3-L9 HydrophobicContact CZ-CD1 3.51Å; L9-A12 PolarHBondContact O-N 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.93Å
10	L	73.1	Confident	68.1	Low	111 Å²	111	120.2 Å²	120.2	58%	0.581	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-38.6	178.4	-75.9	164.9	0	0	0	112.3	R6 F7 L8 L13 A14	R6-L10 WeakPolarHBondContact O-CB 3.5Å; R6-L10 WeakPolarHBondContact O-CD1 3.46Å; R6-L10 VanDerWaalsContact O-CG 3.25Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 2.96Å; R6-L10 VanDerWaalsContact O-N 3.12Å; F7-L10 PolarHBondContact O-N 3Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.11Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.2Å
11	L	71.6	Confident	67.6	Low	92 Å²	92	117.4 Å²	117.4	48%	0.482	61%	0.605	S	S	.	*	H	α-helix	trans	-64.8	-45.2	175.1	-90.9	159.9	0	0	0	112.4	F7 L8 A14 A15	F7-L11 HydrophobicContact CD1-CD1 3.64Å; F7-L11 HydrophobicContact CE1-CD1 3.3Å; F7-L11 HydrophobicContact CE1-CG 4.37Å; F7-L11 HydrophobicContact CZ-CD1 3.91Å; F7-L11 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.21Å
12	A	76.3	Confident	67.7	Low	60 Å²	60	110.8 Å²	110.8	50%	0.496	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-40.1	177.2	0	0	0	0	0	111.8	L8 L9 L16	L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 2.76Å; L9-A12 PolarHBondContact O-N 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.37Å; A12-L16 PolarHBondContact O-N 3.46Å
13	L	80.6	Confident	68.1	Low	100 Å²	100	105.6 Å²	105.6	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-41.6	178.4	-149.8	92.5	0	0	0	111.8	L9 L10 L16 L17	L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.3Å; L13-L17 HydrophobicContact CD2-CD1 4.22Å; L13-L17 HydrophobicContact CG-CD1 4.39Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.19Å
14	A	79.5	Confident	67.9	Low	57 Å²	57	103.6 Å²	103.6	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-68.7	-41.8	-179.5	0	0	0	0	0	112.2	L10 L11 L16 L17 A18	L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.2Å; L11-A14 PolarHBondContact O-N 3.26Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 2.51Å; A14-A18 WeakPolarHBondContact O-CB 2.89Å; A14-A18 PolarHBondContact O-N 3.05Å
15	A	77	Confident	67.4	Low	64 Å²	64	98.1 Å²	98.1	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-40.6	176.1	0	0	0	0	0	111.7	L11 A18 F19	L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.21Å; A15-A18 PolarHBondContact O-N 3.02Å; A15-F19 WeakPolarHBondContact O-CB 3.26Å; A15-F19 PolarHBondContact O-N 2.7Å
16	L	81.4	Confident	66.4	Low	119 Å²	119	101.7 Å²	101.7	62%	0.623	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-42.1	176.7	-158.6	113.7	0	0	0	111.7	A12 L13 A14 F19 V20	A12-L16 WeakPolarHBondContact O-CB 3.37Å; A12-L16 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 3.3Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.41Å; L16-F19 PolarHBondContact O-N 2.87Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.39Å
17	L	77.9	Confident	65.4	Low	104 Å²	104	99.4 Å²	99.4	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-37.3	175.5	-73.2	168.2	0	0	0	112.4	L13 A14 V20 S21	L13-L17 HydrophobicContact CD2-CD1 4.22Å; L13-L17 HydrophobicContact CG-CD1 4.39Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.19Å; A14-L17 PolarHBondContact O-N 2.51Å; L17-V20 PolarHBondContact O-N 2.94Å; L17-S21 VanDerWaalsContact O-CB 3.27Å; L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.13Å
18	A	70.3	Confident	64.2	Low	59 Å²	59	101.4 Å²	101.4	49%	0.488	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-41.2	174.4	0	0	0	0	0	111.5	A14 A15 S21 L22	A14-A18 WeakPolarHBondContact O-CB 2.89Å; A14-A18 PolarHBondContact O-N 3.05Å; A15-A18 PolarHBondContact O-N 3.02Å; A18-S21 PolarHBondContact O-N 3.16Å; A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 PolarHBondContact O-N 3.27Å
19	F	70.4	Confident	62.9	Low	155 Å²	155	101.4 Å²	101.4	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-67	-40.1	177.8	-152.9	-88.2	0	0	0	112.3	A15 L16 S23	A15-F19 WeakPolarHBondContact O-CB 3.26Å; A15-F19 PolarHBondContact O-N 2.7Å; L16-F19 PolarHBondContact O-N 2.87Å; F19-S23 WeakPolarHBondContact O-CB 3.4Å; F19-S23 PolarHBondContact O-N 3.45Å; F19-S23 PolarHBondContact O-OG 3.18Å
20	V	67.1	Low	61.2	Low	70 Å²	70	104.8 Å²	104.8	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-67.2	-40.2	174.2	172.5	0	0	0	0	111.1	L16 L17 S23 L24	L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.39Å; L17-V20 PolarHBondContact O-N 2.94Å; V20-S23 PolarHBondContact O-N 3.15Å; V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.42Å; V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.09Å
21	S	58.3	Low	59.3	Low	61 Å²	61	105.7 Å²	105.7	43%	0.427	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-43	175.7	-178	0	0	0	0	112.4	L17 A18 S23 L24 Q25	L17-S21 VanDerWaalsContact O-CB 3.27Å; L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.13Å; A18-S21 PolarHBondContact O-N 3.16Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S21-S23 PolarHBondContact O-N 3.43Å; S21-L24 PolarHBondContact O-N 3.44Å; S21-Q25 PolarHBondContact O-N 3.42Å; S21-Q25 VanDerWaalsContact O-N 3.08Å
22	L	46.4	Very low	57.5	Low	108 Å²	108	107.4 Å²	107.4	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-65.3	-37.1	177.4	-138.3	89.3	0	0	0	111.6	A18 Q25 F26	A18-L22 WeakPolarHBondContact O-CB 3.41Å; A18-L22 PolarHBondContact O-N 3.27Å; L22-Q25 PolarHBondContact O-N 3.42Å; L22-F26 PolarHBondContact O-N 2.85Å; L22-F26 VanDerWaalsContact O-N 3.14Å
23	S	54.5	Low	55.2	Low	50 Å²	50	110.1 Å²	110.1	35%	0.35	61%	0.607	S	S	.	*	H	α-helix	trans	-69.6	-39.6	177.4	-57.9	0	0	0	0	112	F19 V20 S21 Q25 F26 F27	F19-S23 WeakPolarHBondContact O-CB 3.4Å; F19-S23 PolarHBondContact O-N 3.45Å; F19-S23 PolarHBondContact O-OG 3.18Å; V20-S23 PolarHBondContact O-N 3.15Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S21-S23 PolarHBondContact O-N 3.43Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.26Å; S23-F26 PolarHBondContact O-N 3.31Å; S23-F27 WeakPolarHBondContact O-CD2 3.41Å; S23-F27 PolarHBondContact O-N 3.11Å
24	L	48.4	Very low	52.7	Low	77 Å²	77	111.8 Å²	111.8	40%	0.403	62%	0.622	S	S	.	*	H	α-helix	trans	-69.1	-28.5	176.2	-72.4	166.7	0	0	0	112.8	V20 S21 H28 L29	V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.42Å; V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.09Å; S21-L24 PolarHBondContact O-N 3.44Å; L24-H28 PolarHBondContact O-N 3.17Å; L24-L29 HydrophobicContact CD2-CB 4.29Å; L24-L29 PolarHBondContact O-N 3.05Å
25	Q	46	Very low	50.5	Low	137 Å²	137	113.4 Å²	113.4	64%	0.64	64%	0.635	S	S	*	*	H	α-helix	trans	-73	-38.3	172.5	-79.1	178.8	-22.6	0	0	112.9	S21 L22 S23 F27	S21-Q25 PolarHBondContact O-N 3.42Å; S21-Q25 VanDerWaalsContact O-N 3.08Å; L22-Q25 PolarHBondContact O-N 3.42Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.26Å; Q25-F27 VanDerWaalsContact C-N 3.3Å; Q25-F27 PolarHBondContact O-N 3.46Å
26	F	43.5	Very low	48.2	Very low	184 Å²	184	120.2 Å²	120.2	81%	0.807	65%	0.653	S	S	*	*	H	α-helix	trans	-69.1	-25.2	175.4	-105.7	-87.2	0	0	0	113.5	L22 S23	L22-F26 PolarHBondContact O-N 2.85Å; L22-F26 VanDerWaalsContact O-N 3.14Å; S23-F26 PolarHBondContact O-N 3.31Å
27	F	42.5	Very low	46.1	Very low	159 Å²	159	122.7 Å²	122.7	70%	0.697	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	9.6	-179.9	-79.7	-74.5	0	0	0	115.5	S23 Q25 L29	S23-F27 WeakPolarHBondContact O-CD2 3.41Å; S23-F27 PolarHBondContact O-N 3.11Å; Q25-F27 VanDerWaalsContact C-N 3.3Å; Q25-F27 PolarHBondContact O-N 3.46Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 HydrophobicContact CB-CD1 4.37Å; F27-L29 PolarHBondContact O-N 3.33Å
28	H	44.5	Very low	43.8	Very low	183 Å²	183	121.4 Å²	121.4	85%	0.847	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.8	46.9	178.5	-85.6	-28.1	0	0	0	114.2	L24	L24-H28 PolarHBondContact O-N 3.17Å
29	L	39.9	Very low	42.2	Very low	109 Å²	109	126 Å²	126	57%	0.571	70%	0.701	S	S	*	*			trans	-118.6	86.8	178	-72.9	168	0	0	0	111.2	L24 F27	L24-L29 HydrophobicContact CD2-CB 4.29Å; L24-L29 PolarHBondContact O-N 3.05Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 HydrophobicContact CB-CD1 4.37Å; F27-L29 PolarHBondContact O-N 3.33Å
30	I	36.4	Very low	40.3	Very low	142 Å²	142	123.6 Å²	123.6	73%	0.728	70%	0.703	S	S	*	*			trans	127	123.4	157.2	-62.5	157	0	0	0	112.4
31	P	32.9	Very low	38.7	Very low	129 Å²	129	125.9 Å²	125.9	84%	0.838	72%	0.722	S	S	*	*				-129.2	140.9	95	22.3	-3.8	0	0	0	115
32	V	32.6	Very low	37.3	Very low	128 Å²	128	132.3 Å²	132.3	78%	0.776	74%	0.742	S	S	*	*			trans	-95.5	126.4	157.7	171.5	0	0	0	0	107.7
33	S	29.3	Very low	36.9	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	75%	0.753	S	S	*	*			trans	-154.4	131.9	134.6	69.8	0	0	0	0	111.4
34	T	28.6	Very low	36	Very low	135 Å²	135	141.5 Å²	141.5	83%	0.828	78%	0.779	S	S	*	*			trans	-79.2	155.1	158.3	43.6	0	0	0	0	108
35	A	32.2	Very low	35.4	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	80%	0.797	S	S	*	*			cis	-158.6	151.4	1.1	0	0	0	0	0	108.2
36	K	28.3	Very low	35.2	Very low	207 Å²	207	149.3 Å²	149.3	90%	0.9	80%	0.802	S	S	*	*			trans	-176.3	125.2	136.8	-104.1	173.7	-176.4	-179	0	110.6
37	N	37.8	Very low	35	Very low	171 Å²	171	147.4 Å²	147.4	91%	0.914	80%	0.799	S	S	*	*			trans	-7.1	122.4	169.6	-61.2	-19.6	0	0	0	118.2
38	G	29.4	Very low	35	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	79%	0.786	S	S	*	*			trans	166.5	123.6	166.2	0	0	0	0	0	113.4	S40	G38-S40 PolarHBondContact O-N 3.17Å
39	V	37.1	Very low	35.1	Very low	156 Å²	156	138.4 Å²	138.4	95%	0.945	77%	0.766	S	S	*	*			trans	-57.1	122.6	-177	175.7	0	0	0	0	112.7
40	S	30.6	Very low	35.7	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	75%	0.75	S	S	*	*			trans	-170.2	100.8	157.7	165.7	0	0	0	0	111.5	G38 K42	G38-S40 PolarHBondContact O-N 3.17Å; S40-K42 PolarHBondContact O-N 2.71Å
41	S	32.9	Very low	36.6	Very low	118 Å²	118	129.5 Å²	129.5	83%	0.825	72%	0.722	S	S	*	*			trans	-84.8	110.3	174.3	65.2	0	0	0	0	111.6	S43	S41-S43 PolarHBondContact O-N 3Å
42	K	30.5	Very low	37.6	Very low	195 Å²	195	124.8 Å²	124.8	85%	0.848	69%	0.691	S	S	*	*			trans	-68.9	124.6	166.5	-73.3	-179.3	176.4	177.7	0	110	S40 R44	S40-K42 PolarHBondContact O-N 2.71Å; K42-R44 PolarHBondContact O-N 3.24Å
43	S	36.1	Very low	38.4	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	68%	0.682	S	S	*	*			trans	-59.6	101.9	176.7	164.1	0	0	0	0	111.9	S41 K45	S41-S43 PolarHBondContact O-N 3Å; S43-K45 PolarHBondContact O-N 3.43Å
44	R	35.6	Very low	39.4	Very low	238 Å²	238	120.5 Å²	120.5	90%	0.898	66%	0.656	S	S	*	*			trans	-65.9	116.8	161.9	-88.1	-176.3	-173.3	176.3	2.9	108.5	K42 R46	K42-R44 PolarHBondContact O-N 3.24Å; R44-R46 PolarHBondContact O-N 2.85Å
45	K	37.7	Very low	40.4	Very low	181 Å²	181	118.9 Å²	118.9	79%	0.787	65%	0.648	S	S	*	*			trans	-57.5	92.6	167.4	-90.6	-173.9	-176.4	179.3	0	109.3	S43 I47	S43-K45 PolarHBondContact O-N 3.43Å; K45-I47 PolarHBondContact O-N 2.91Å
46	R	40.9	Very low	41.5	Very low	196 Å²	196	120.1 Å²	120.1	74%	0.74	65%	0.648	S	S	*	*			trans	-64.5	115.9	176.9	-146.4	178.1	-151.3	-178.9	4.6	109.5	R44 M48 R76	R44-R46 PolarHBondContact O-N 2.85Å; R46-M48 PolarHBondContact O-N 3.17Å; R46-R76 PolarHBondContact O-NE 3.11Å; R46-R76 PolarHBondContact O-NH1 3.27Å; R46-R76 VanDerWaalsContact O-NH1 3.08Å; R46-R76 PolarHBondContact O-NH2 2.97Å
47	I	39.2	Very low	43	Very low	144 Å²	144	112 Å²	112	74%	0.738	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.4	162.8	-63.3	168.4	0	0	0	105.3	K45 P49	K45-I47 PolarHBondContact O-N 2.91Å; I47-P49 WeakPolarHBondContact O-CD 3.16Å
48	M	42.3	Very low	44.2	Very low	86 Å²	86	110.1 Å²	110.1	42%	0.424	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-74.1	121.4	173.6	-63.9	-128.3	74.9	0	0	106.8	R46 R76	R46-M48 PolarHBondContact O-N 3.17Å; M48-R76 HydrophobicContact CG-CB 3.91Å; M48-R76 HydrophobicContact CG-CG 4.32Å; M48-R76 HydrophobicContact SD-CB 4.08Å
49	P	47.6	Very low	47	Very low	67 Å²	67	110.1 Å²	110.1	44%	0.435	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-64	144.1	170.8	27.4	-31.3	0	0	0	108.7	I47 E54	I47-P49 WeakPolarHBondContact O-CD 3.16Å; P49-E54 HydrophobicContact CB-CG 3.92Å; P49-E54 HydrophobicContact CG-CG 4.25Å; P49-E54 WeakPolarHBondContact CG-OE1 3.36Å
50	D	52.4	Low	49.6	Very low	42 Å²	42	103.2 Å²	103.2	23%	0.225	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-67.6	121.5	174.2	157.1	24.2	0	0	0	108.4	V52 T53 E54 H431	D50-V52 PolarHBondContact O-N 2.9Å; D50-V52 VanDerWaalsContact O-N 3.09Å; D50-V52 WeakPolarHBondContact OD1-CB 3.41Å; D50-V52 PolarHBondContact OD1-N 2.93Å; D50-T53 WeakPolarHBondContact CB-OG1 3.36Å; D50-T53 PolarHBondContact O-N 3.16Å; D50-T53 PolarHBondContact O-OG1 2.75Å; D50-T53 WeakPolarHBondContact OD2-CB 3.32Å; D50-T53 WeakPolarHBondContact OD2-CG2 2.98Å; D50-T53 PolarHBondContact OD2-OG1 3.39Å; D50-E54 PolarHBondContact O-N 3.29Å; D50-H431 IonicContact OD2-CE1 3.97Å; D50-H431 IonicContact OD2-NE2 3.44Å
51	P	54.1	Low	52.6	Low	23 Å²	23	99.5 Å²	99.5	15%	0.149	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.1	-174.6	27.4	-31.5	0	0	0	112.8	V426	P51-V426 HydrophobicContact CG-CB 3.76Å; P51-V426 HydrophobicContact CG-CG1 3.92Å; P51-V426 HydrophobicContact CG-CG2 3.93Å
52	V	53.8	Low	55.3	Low	30 Å²	30	98.5 Å²	98.5	18%	0.182	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-14.1	174.3	-163.6	0	0	0	0	112.1	D50 E393 V428 H431	D50-V52 PolarHBondContact O-N 2.9Å; D50-V52 VanDerWaalsContact O-N 3.09Å; D50-V52 WeakPolarHBondContact OD1-CB 3.41Å; D50-V52 PolarHBondContact OD1-N 2.93Å; V52-E393 HydrophobicContact CG1-CB 4.18Å; V52-V428 HydrophobicContact CG2-CG1 3.93Å; V52-H431 HydrophobicContact CG1-CB 4.04Å; V52-H431 WeakPolarHBondContact CG1-ND1 3.24Å; V52-H431 HydrophobicContact CG2-CB 4.13Å
53	T	50.3	Low	58.2	Low	95 Å²	95	89.9 Å²	89.9	58%	0.583	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	7.6	-176.6	52.8	0	0	0	0	115	D50	D50-T53 WeakPolarHBondContact CB-OG1 3.36Å; D50-T53 PolarHBondContact O-N 3.16Å; D50-T53 PolarHBondContact O-OG1 2.75Å; D50-T53 WeakPolarHBondContact OD2-CB 3.32Å; D50-T53 WeakPolarHBondContact OD2-CG2 2.98Å; D50-T53 PolarHBondContact OD2-OG1 3.39Å
54	E	50.5	Low	60.9	Low	59 Å²	59	84.4 Å²	84.4	28%	0.276	43%	0.427	S	S	.	.	S	Bend	trans	-64.1	141.8	169.9	-81.7	-158.8	-135.6	0	0	111.5	P49 D50 R395	P49-E54 HydrophobicContact CB-CG 3.92Å; P49-E54 HydrophobicContact CG-CG 4.25Å; P49-E54 WeakPolarHBondContact CG-OE1 3.36Å; D50-E54 PolarHBondContact O-N 3.29Å; E54-R395 IonicContact OE1-CZ 2.74Å; E54-R395 IonicContact OE1-NH1 2.75Å; E54-R395 PolarHBondContact OE1-NH1 3.12Å; E54-R395 IonicContact OE1-NH2 2.76Å; E54-R395 PolarHBondContact OE1-NH2 2.68Å; E54-R395 IonicContact OE2-CZ 3.42Å; E54-R395 IonicContact OE2-NH1 3.37Å; E54-R395 PolarHBondContact OE2-NH1 3.41Å; E54-R395 IonicContact OE2-NH2 3.22Å; E54-R395 PolarHBondContact OE2-NH2 2.9Å
55	P	49.6	Very low	63.6	Low	101 Å²	101	77.3 Å²	77.3	66%	0.656	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-58.9	151.7	172.6	25.4	-32.5	0	0	0	110.4	V57	P55-V57 PolarHBondContact O-N 2.92Å; P55-V57 VanDerWaalsContact O-N 3.14Å
56	P	54.9	Low	66.2	Low	118 Å²	118	71.3 Å²	71.3	77%	0.766	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-56	124.6	-178.9	22	-31.6	0	0	0	110.1	T58	P56-T58 PolarHBondContact O-N 2.68Å; P56-T58 VanDerWaalsContact O-N 3.16Å
57	V	58.7	Low	68.7	Low	36 Å²	36	62.6 Å²	62.6	22%	0.218	35%	0.35	C	S	.	.			trans	-68.5	111.7	-173.9	-174.4	0	0	0	0	109.1	P55 Y62 E63	P55-V57 PolarHBondContact O-N 2.92Å; P55-V57 VanDerWaalsContact O-N 3.14Å; V57-Y62 HydrophobicContact CG1-CD1 4.32Å; V57-E63 HydrophobicContact CG1-CB 3.96Å; V57-E63 HydrophobicContact CG1-CG 4.41Å
58	T	65.1	Low	71.4	Confident	133 Å²	133	55.8 Å²	55.8	82%	0.816	32%	0.315	S	S	*	.			trans	-92.9	-15.8	178.3	45.3	0	0	0	0	113.4	P56 P60	P56-T58 PolarHBondContact O-N 2.68Å; P56-T58 VanDerWaalsContact O-N 3.16Å; T58-P60 VanDerWaalsContact O-CD 3.3Å; T58-P60 WeakPolarHBondContact O-CD 3.47Å
59	D	87.1	Confident	73.8	Confident	76 Å²	76	53 Å²	53	41%	0.406	30%	0.302	S	S	.	.			trans	-95.8	108.2	179.1	-177.3	-0	0	0	0	111.8	V61 Y62 E63	D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.41Å; D59-V61 PolarHBondContact OD1-N 3.39Å; D59-Y62 PolarHBondContact O-N 3.34Å; D59-Y62 PolarHBondContact OD1-N 3.08Å; D59-E63 PolarHBondContact O-N 3.22Å; D59-E63 VanDerWaalsContact O-N 3.13Å
60	P	91.4	Very high	76	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.071	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-30	178.6	25.4	-35.6	0	0	0	113.9	T58 A64 K322 K325 T326 I329	T58-P60 VanDerWaalsContact O-CD 3.3Å; T58-P60 WeakPolarHBondContact O-CD 3.47Å; P60-A64 WeakPolarHBondContact O-CB 3.47Å; P60-A64 PolarHBondContact O-N 2.97Å; P60-A64 VanDerWaalsContact O-N 3.15Å; P60-K322 HydrophobicContact CG-CB 4.05Å; P60-K322 HydrophobicContact CG-CG 4.01Å; P60-K325 HydrophobicContact CB-CB 3.71Å; P60-K325 HydrophobicContact CB-CG 3.55Å; P60-K325 WeakPolarHBondContact O-CG 3.17Å; P60-T326 WeakPolarHBondContact CG-OG1 3.34Å; P60-I329 HydrophobicContact CB-CD1 4.28Å
61	V	92.9	Very high	77.7	Confident	27 Å²	27	52.4 Å²	52.4	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-74.9	-45	-179	-178	0	0	0	0	109.9	D59 E63 A64 L65 M318 K322	D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.41Å; D59-V61 PolarHBondContact OD1-N 3.39Å; V61-E63 VanDerWaalsContact C-N 3.34Å; V61-E63 PolarHBondContact O-N 3.35Å; V61-A64 PolarHBondContact O-N 3.06Å; V61-L65 HydrophobicContact CG1-CD1 4.29Å; V61-L65 WeakPolarHBondContact O-CG 3.2Å; V61-L65 PolarHBondContact O-N 3.46Å; V61-M318 HydrophobicContact CG2-SD 3.86Å; V61-K322 HydrophobicContact CG2-CD 4.45Å; V61-K322 HydrophobicContact CG2-CG 3.84Å
62	Y	90.5	Very high	78.8	Confident	97 Å²	97	56.1 Å²	56.1	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-43.5	176	-179.7	-107.5	0	0	0	112.2	V57 D59 A64 L65 L66	V57-Y62 HydrophobicContact CG1-CD1 4.32Å; D59-Y62 PolarHBondContact O-N 3.34Å; D59-Y62 PolarHBondContact OD1-N 3.08Å; Y62-A64 VanDerWaalsContact C-N 3.31Å; Y62-A64 PolarHBondContact O-N 3.38Å; Y62-L65 PolarHBondContact O-N 2.94Å; Y62-L66 HydrophobicContact CD1-CD1 4.02Å; Y62-L66 HydrophobicContact CE1-CD1 3.5Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.5Å; Y62-L66 HydrophobicContact CE1-CG 4.19Å; Y62-L66 WeakPolarHBondContact O-CG 3.26Å; Y62-L66 PolarHBondContact O-N 3.21Å; Y62-L66 VanDerWaalsContact O-N 3.1Å
63	E	90.6	Very high	79.5	Confident	13 Å²	13	60 Å²	60	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-47.1	174.5	-162.5	-73.1	164.7	0	0	110.8	V57 D59 V61 L65 L66 Y67 K325 I329	V57-E63 HydrophobicContact CG1-CB 3.96Å; V57-E63 HydrophobicContact CG1-CG 4.41Å; D59-E63 PolarHBondContact O-N 3.22Å; D59-E63 VanDerWaalsContact O-N 3.13Å; V61-E63 VanDerWaalsContact C-N 3.34Å; V61-E63 PolarHBondContact O-N 3.35Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.43Å; E63-L66 WeakPolarHBondContact O-CB 3.3Å; E63-L66 PolarHBondContact O-N 3.05Å; E63-L66 VanDerWaalsContact O-N 3.11Å; E63-Y67 PolarHBondContact O-N 3.4Å; E63-K325 IonicContact OE1-NZ 2.9Å; E63-K325 WeakPolarHBondContact OE2-CE 3.44Å; E63-K325 IonicContact OE2-NZ 3.56Å; E63-K325 PolarHBondContact OE2-NZ 3.23Å; E63-I329 HydrophobicContact CB-CD1 4.27Å; E63-I329 HydrophobicContact CG-CD1 4.45Å
64	A	94	Very high	80.4	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-36.5	-178.8	0	0	0	0	0	112.6	P60 V61 Y62 L66 Y67 C68 L299 L302 F321	P60-A64 WeakPolarHBondContact O-CB 3.47Å; P60-A64 PolarHBondContact O-N 2.97Å; P60-A64 VanDerWaalsContact O-N 3.15Å; V61-A64 PolarHBondContact O-N 3.06Å; Y62-A64 VanDerWaalsContact C-N 3.31Å; Y62-A64 PolarHBondContact O-N 3.38Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-Y67 WeakPolarHBondContact O-CB 3.27Å; A64-Y67 PolarHBondContact O-N 3.35Å; A64-C68 PolarHBondContact O-N 3.46Å; A64-C68 PolarHBondContact O-SG 2.75Å; A64-L299 HydrophobicContact CB-CD2 3.8Å; A64-L302 HydrophobicContact CB-CD2 3.4Å; A64-L302 VanDerWaalsContact CB-CD2 3.4Å; A64-F321 HydrophobicContact CB-CE1 3.79Å; A64-F321 HydrophobicContact CB-CZ 3.52Å
65	L	92.7	Very high	81.5	Confident	88 Å²	88	60 Å²	60	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-37.1	174.4	-70	171.2	0	0	0	112.3	V61 Y62 E63 C68	V61-L65 HydrophobicContact CG1-CD1 4.29Å; V61-L65 WeakPolarHBondContact O-CG 3.2Å; V61-L65 PolarHBondContact O-N 3.46Å; Y62-L65 PolarHBondContact O-N 2.94Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.43Å; L65-C68 PolarHBondContact O-N 3.42Å
66	L	90.9	Very high	82.8	Confident	56 Å²	56	60.7 Å²	60.7	29%	0.293	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-38.6	172.6	-68.1	173.9	0	0	0	111.8	Y62 E63 A64 C68 N69 R395	Y62-L66 HydrophobicContact CD1-CD1 4.02Å; Y62-L66 HydrophobicContact CE1-CD1 3.5Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.5Å; Y62-L66 HydrophobicContact CE1-CG 4.19Å; Y62-L66 WeakPolarHBondContact O-CG 3.26Å; Y62-L66 PolarHBondContact O-N 3.21Å; Y62-L66 VanDerWaalsContact O-N 3.1Å; E63-L66 WeakPolarHBondContact O-CB 3.3Å; E63-L66 PolarHBondContact O-N 3.05Å; E63-L66 VanDerWaalsContact O-N 3.11Å; A64-L66 VanDerWaalsContact C-N 3.34Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.46Å; L66-N69 PolarHBondContact O-N 3.17Å; L66-R395 VanDerWaalsContact CD1-NH1 3.34Å
67	Y	93.8	Very high	84.4	Confident	13 Å²	13	56.1 Å²	56.1	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-41.3	174.6	167.8	-85	0	0	0	112.3	E63 A64 N69 R96 L299 F396 R398 F399	E63-Y67 PolarHBondContact O-N 3.4Å; A64-Y67 WeakPolarHBondContact O-CB 3.27Å; A64-Y67 PolarHBondContact O-N 3.35Å; Y67-N69 PolarHBondContact O-N 3Å; Y67-R96 PolarHBondContact OH-NH2 2.85Å; Y67-L299 HydrophobicContact CD1-CD1 4.41Å; Y67-L299 HydrophobicContact CD1-CD2 4.04Å; Y67-L299 HydrophobicContact CE1-CB 4.34Å; Y67-L299 HydrophobicContact CE1-CD1 4.02Å; Y67-L299 HydrophobicContact CE1-CD2 4.33Å; Y67-L299 HydrophobicContact CE1-CG 4.48Å; Y67-F396 HydrophobicContact CD2-CD1 4.16Å; Y67-F396 HydrophobicContact CE2-CD1 4.13Å; Y67-F396 HydrophobicContact CE2-CE1 4.03Å; Y67-R398 WeakPolarHBondContact O-CB 3.13Å; Y67-F399 HydrophobicContact CD1-CD2 4.35Å; Y67-F399 HydrophobicContact CD1-CE2 4.24Å; Y67-F399 AromaticContact CE1-CD2 3.86Å; Y67-F399 HydrophobicContact CE1-CD2 3.86Å; Y67-F399 HydrophobicContact CE1-CE1 4.47Å; Y67-F399 AromaticContact CE1-CE2 3.4Å; Y67-F399 HydrophobicContact CE1-CE2 3.4Å; Y67-F399 VanDerWaalsContact CE1-CE2 3.4Å; Y67-F399 AromaticContact CE1-CZ 3.76Å; Y67-F399 HydrophobicContact CE1-CZ 3.76Å; Y67-F399 AromaticContact CZ-CE2 3.95Å; Y67-F399 AromaticContact CZ-CZ 3.85Å; Y67-F399 PolarHBondContact O-N 3.38Å; Y67-F399 VanDerWaalsContact OH-CZ 3.32Å; Y67-F399 WeakPolarHBondContact OH-CZ 2.69Å
68	C	95.6	Very high	86.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-31.7	178.9	-64.1	0	0	0	0	112.8	A64 L65 L66 I70 Q172 C303	A64-C68 PolarHBondContact O-N 3.46Å; A64-C68 PolarHBondContact O-SG 2.75Å; L65-C68 PolarHBondContact O-N 3.42Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.46Å; C68-I70 VanDerWaalsContact C-N 3.33Å; C68-I70 HydrophobicContact CB-CD1 4.41Å; C68-I70 HydrophobicContact CB-CG1 3.95Å; C68-I70 PolarHBondContact O-N 2.95Å; C68-Q172 PolarHBondContact O-NE2 3.38Å; C68-C303 WeakPolarHBondContact CA-SG 3.3Å; C68-C303 HydrophobicContact CB-CB 3.66Å; C68-C303 WeakPolarHBondContact CB-SG 3.18Å; C68-C303 WeakPolarHBondContact SG-CA 3.5Å; C68-C303 WeakPolarHBondContact SG-CB 3.41Å; C68-C303 CovalentContact SG-SG 2.03Å; C68-C303 PolarHBondContact SG-SG 2.9Å
69	N	94.2	Very high	87.6	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.144	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	48.2	177.8	-174.6	30.5	0	0	0	113.6	L66 Y67 P71 Q172 R398 F399	L66-N69 PolarHBondContact O-N 3.17Å; Y67-N69 PolarHBondContact O-N 3Å; N69-P71 VanDerWaalsContact O-CD 3.27Å; N69-P71 WeakPolarHBondContact O-CD 3.36Å; N69-Q172 PolarHBondContact O-NE2 3.45Å; N69-R398 HydrophobicContact CB-CB 4.36Å; N69-R398 HydrophobicContact CB-CG 4.33Å; N69-R398 PolarHBondContact ND2-NH1 3.41Å; N69-R398 PolarHBondContact OD1-NH1 3.16Å; N69-F399 HydrophobicContact CB-CB 4.48Å; N69-F399 WeakPolarHBondContact CB-O 3.38Å; N69-F399 PolarHBondContact ND2-O 3.17Å
70	I	92.9	Very high	88.1	Confident	76 Å²	76	48.6 Å²	48.6	39%	0.39	27%	0.268	S	S	.	.			trans	-67.5	123.4	-174.9	-57.8	177.4	0	0	0	109.8	C68 S72 C303	C68-I70 VanDerWaalsContact C-N 3.33Å; C68-I70 HydrophobicContact CB-CD1 4.41Å; C68-I70 HydrophobicContact CB-CG1 3.95Å; C68-I70 PolarHBondContact O-N 2.95Å; I70-S72 PolarHBondContact O-N 2.82Å; I70-S72 PolarHBondContact O-OG 3.38Å; I70-S72 VanDerWaalsContact O-OG 3.06Å; I70-C303 WeakPolarHBondContact CD1-O 3.37Å
71	P	87.9	Confident	88.2	Confident	21 Å²	21	51.9 Å²	51.9	14%	0.136	28%	0.282	C	S	.	.	S	Bend	trans	-56.2	100.9	176.2	-29.3	39	0	0	0	112.1	N69 P124 V171 Q172	N69-P71 VanDerWaalsContact O-CD 3.27Å; N69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-P124 HydrophobicContact CB-CB 3.99Å; P71-P124 HydrophobicContact CG-CB 4.14Å; P71-P124 HydrophobicContact CG-CG 4.4Å; P71-V171 HydrophobicContact CB-CG1 3.92Å; P71-V171 HydrophobicContact CG-CB 4.49Å; P71-V171 HydrophobicContact CG-CG1 3.89Å; P71-Q172 HydrophobicContact CG-CB 4.43Å; P71-Q172 HydrophobicContact CG-CG 3.56Å
72	S	76.2	Confident	88.3	Confident	102 Å²	102	52.3 Å²	52.3	71%	0.713	29%	0.288	S	S	*	.			trans	-140.1	-26.3	-174.5	54.5	0	0	0	0	114.1	I70	I70-S72 PolarHBondContact O-N 2.82Å; I70-S72 PolarHBondContact O-OG 3.38Å; I70-S72 VanDerWaalsContact O-OG 3.06Å
73	V	68.6	Low	88.4	Confident	112 Å²	112	49.5 Å²	49.5	68%	0.679	28%	0.282	S	S	*	.	S	Bend	trans	-142.1	144.7	-179.2	-172.8	0	0	0	0	109.4	E75	V73-E75 PolarHBondContact O-N 3.36Å
74	A	69.4	Low	88.5	Confident	95 Å²	95	56.8 Å²	56.8	79%	0.785	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-61.6	122	170.5	0	0	0	0	0	110.2
75	E	73.8	Confident	88.4	Confident	58 Å²	58	58.7 Å²	58.7	27%	0.271	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-69.9	136.3	173.4	-64.6	-174.8	172.1	0	0	109.8	V73 R398 R402	V73-E75 PolarHBondContact O-N 3.36Å; E75-R398 VanDerWaalsContact CD-NH2 3.34Å; E75-R398 IonicContact OE1-CZ 3.29Å; E75-R398 VanDerWaalsContact OE1-CZ 3.22Å; E75-R398 IonicContact OE1-NH1 3.33Å; E75-R398 PolarHBondContact OE1-NH1 3.17Å; E75-R398 IonicContact OE1-NH2 2.92Å; E75-R398 PolarHBondContact OE1-NH2 3.31Å; E75-R398 IonicContact OE2-NH2 3.27Å; E75-R398 PolarHBondContact OE2-NH2 2.86Å; E75-R402 IonicContact OE2-CZ 2.92Å; E75-R402 IonicContact OE2-NH1 3.95Å; E75-R402 PolarHBondContact OE2-NH1 3.44Å; E75-R402 IonicContact OE2-NH2 2.68Å; E75-R402 PolarHBondContact OE2-NH2 3.25Å
76	R	76.4	Confident	88.6	Confident	115 Å²	115	55.5 Å²	55.5	43%	0.434	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-76.1	144.9	163.4	-64.6	-178.1	176.1	-178.4	3.7	108	R46 M48	R46-R76 PolarHBondContact O-NE 3.11Å; R46-R76 PolarHBondContact O-NH1 3.27Å; R46-R76 VanDerWaalsContact O-NH1 3.08Å; R46-R76 PolarHBondContact O-NH2 2.97Å; M48-R76 HydrophobicContact CG-CB 3.91Å; M48-R76 HydrophobicContact CG-CG 4.32Å; M48-R76 HydrophobicContact SD-CB 4.08Å
77	S	89.2	Confident	88.9	Confident	23 Å²	23	57.8 Å²	57.8	16%	0.161	32%	0.315	C	S	.	.			trans	-143.8	133.4	-173.1	111.3	0	0	0	0	110.6	E79 H81 I183 G425	S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 WeakPolarHBondContact CA-OE2 3.38Å; S77-E79 WeakPolarHBondContact CB-OE2 3.28Å; S77-E79 PolarHBondContact OG-OE2 2.85Å; S77-H81 PolarHBondContact O-CE1 2.84Å; S77-I183 VanDerWaalsContact OG-CD1 3.24Å; S77-I183 WeakPolarHBondContact OG-CD1 3.15Å; S77-G425 CarbonylContact C-O 3.51Å; S77-G425 WeakPolarHBondContact CA-O 3.41Å
78	M	94.9	Very high	89.1	Confident	84 Å²	84	57.5 Å²	57.5	41%	0.414	31%	0.314	S	S	.	.			trans	-88.4	-2.9	177.4	-70.8	-61.4	-64.8	0	0	112.8	G80 H81 R420 L422 G425 D427	M78-G80 PolarHBondContact O-N 3.46Å; M78-H81 HydrophobicContact CE-CB 4.24Å; M78-H81 WeakPolarHBondContact O-CB 3.23Å; M78-H81 PolarHBondContact O-N 3.41Å; M78-H81 VanDerWaalsContact O-N 3.14Å; M78-H81 PolarHBondContact O-ND1 3.32Å; M78-H81 VanDerWaalsContact O-ND1 3.13Å; M78-R420 PolarHBondContact O-NH1 2.94Å; M78-L422 VanDerWaalsContact C-CD2 3.47Å; M78-L422 HydrophobicContact CB-CD2 3.57Å; M78-G425 WeakPolarHBondContact CB-O 3.46Å; M78-G425 PolarHBondContact N-O 3.15Å; M78-D427 HydrophobicContact CB-CB 4.31Å
79	E	96.5	Very high	89.1	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	134	173	-72	84.7	145.9	0	0	109.4	S77 H81 L180 I183 Y184 R402 I404 E406 L422 G425	S77-E79 VanDerWaalsContact C-N 3.34Å; S77-E79 WeakPolarHBondContact CA-OE2 3.38Å; S77-E79 WeakPolarHBondContact CB-OE2 3.28Å; S77-E79 PolarHBondContact OG-OE2 2.85Å; E79-H81 PolarHBondContact O-N 2.78Å; E79-H81 PolarHBondContact O-ND1 2.9Å; E79-H81 VanDerWaalsContact O-ND1 3.07Å; E79-L180 HydrophobicContact CG-CD2 4.27Å; E79-I183 HydrophobicContact CB-CD1 3.65Å; E79-I183 HydrophobicContact CB-CG2 4.25Å; E79-I183 WeakPolarHBondContact O-CG2 3.43Å; E79-Y184 HydrophobicContact CB-CE1 4.41Å; E79-Y184 WeakPolarHBondContact CB-OH 3.35Å; E79-Y184 WeakPolarHBondContact CG-OH 3.46Å; E79-R402 IonicContact OE1-CZ 2.84Å; E79-R402 VanDerWaalsContact OE1-CZ 3.31Å; E79-R402 IonicContact OE1-NE 3.39Å; E79-R402 PolarHBondContact OE1-NE 2.93Å; E79-R402 IonicContact OE1-NH2 3.07Å; E79-R402 PolarHBondContact OE1-NH2 2.99Å; E79-I404 HydrophobicContact CG-CD1 3.66Å; E79-E406 WeakPolarHBondContact CA-OE1 3.17Å; E79-L422 HydrophobicContact CG-CD1 4.23Å; E79-L422 HydrophobicContact CG-CD2 4.42Å; E79-G425 WeakPolarHBondContact OE1-CA 3.23Å; E79-G425 VanDerWaalsContact OE2-CA 3.23Å; E79-G425 WeakPolarHBondContact OE2-CA 3.47Å
80	G	96.5	Very high	89.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	20	178.2	0	0	0	0	0	115	M78 K187 H188 E406	M78-G80 PolarHBondContact O-N 3.46Å; G80-K187 PolarHBondContact O-NZ 2.91Å; G80-H188 WeakPolarHBondContact CA-NE2 3.02Å; G80-H188 PolarHBondContact O-CE1 3.3Å; G80-H188 PolarHBondContact O-NE2 3.23Å; G80-E406 PolarHBondContact N-OE1 3.34Å
81	H	94.9	Very high	89.6	Confident	80 Å²	80	53.8 Å²	53.8	37%	0.37	30%	0.296	S	S	.	.			trans	-91.8	138.1	167.8	-68	75.1	0	0	0	109.2	S77 M78 E79 R420	S77-H81 PolarHBondContact O-CE1 2.84Å; M78-H81 HydrophobicContact CE-CB 4.24Å; M78-H81 WeakPolarHBondContact O-CB 3.23Å; M78-H81 PolarHBondContact O-N 3.41Å; M78-H81 VanDerWaalsContact O-N 3.14Å; M78-H81 PolarHBondContact O-ND1 3.32Å; M78-H81 VanDerWaalsContact O-ND1 3.13Å; E79-H81 PolarHBondContact O-N 2.78Å; E79-H81 PolarHBondContact O-ND1 2.9Å; E79-H81 VanDerWaalsContact O-ND1 3.07Å; H81-R420 PolarHBondContact O-NH1 2.84Å; H81-R420 PolarHBondContact O-NH2 2.81Å
82	A	93.8	Very high	90.1	Very high	36 Å²	36	52.8 Å²	52.8	30%	0.298	29%	0.29	S	S	.	.			trans	-163.6	164.7	171.7	0	0	0	0	0	107.7	F86 W408 M446	A82-F86 HydrophobicContact CB-CB 3.82Å; A82-F86 HydrophobicContact CB-CG 4.5Å; A82-W408 HydrophobicContact CB-CD2 3.91Å; A82-W408 HydrophobicContact CB-CE3 3.65Å; A82-W408 HydrophobicContact CB-CH2 3.65Å; A82-W408 HydrophobicContact CB-CZ2 3.92Å; A82-W408 HydrophobicContact CB-CZ3 3.51Å; A82-M446 HydrophobicContact CB-CE 4.47Å
83	P	93.4	Very high	91.2	Very high	39 Å²	39	48 Å²	48	25%	0.253	26%	0.256	S	S	.	.			trans	-54.6	148.5	166.5	-18.5	29.1	0	0	0	110.8	H85 F86 P445	P83-H85 PolarHBondContact O-N 2.6Å; P83-H85 VanDerWaalsContact O-N 3.09Å; P83-F86 HydrophobicContact CB-CD2 3.85Å; P83-F86 HydrophobicContact CB-CE2 4.26Å; P83-F86 HydrophobicContact CG-CD2 3.8Å; P83-F86 HydrophobicContact CG-CE2 3.94Å; P83-F86 WeakPolarHBondContact O-CB 3.39Å; P83-F86 PolarHBondContact O-N 3.22Å; P83-P445 HydrophobicContact CG-CB 3.94Å; P83-P445 HydrophobicContact CG-CG 3.64Å
84	H	92.3	Very high	92.7	Very high	166 Å²	166	42.7 Å²	42.7	77%	0.769	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.2	-167.2	82.5	-75.4	0	0	0	114.8	F86	H84-F86 VanDerWaalsContact C-N 3.28Å; H84-F86 PolarHBondContact O-N 2.9Å
85	H	92.7	Very high	94.1	Very high	40 Å²	40	38.2 Å²	38.2	19%	0.185	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.8	177.3	55.3	-98.6	0	0	0	113	P83 D410 R411 E412	P83-H85 PolarHBondContact O-N 2.6Å; P83-H85 VanDerWaalsContact O-N 3.09Å; H85-D410 IonicContact CD2-OD1 3.44Å; H85-D410 PolarHBondContact CD2-OD1 3.43Å; H85-R411 WeakPolarHBondContact O-CB 3.44Å; H85-R411 WeakPolarHBondContact O-CD 3.37Å; H85-R411 WeakPolarHBondContact O-CG 3.49Å; H85-R411 PolarHBondContact O-N 2.77Å; H85-E412 HydrophobicContact CB-CG 4.11Å; H85-E412 IonicContact CG-OE1 2.6Å
86	F	96.2	Very high	95.2	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.088	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.7	174.9	-77.7	-89.3	0	0	0	111.8	A82 P83 H84 W408 Q409 D410 M446	A82-F86 HydrophobicContact CB-CB 3.82Å; A82-F86 HydrophobicContact CB-CG 4.5Å; P83-F86 HydrophobicContact CB-CD2 3.85Å; P83-F86 HydrophobicContact CB-CE2 4.26Å; P83-F86 HydrophobicContact CG-CD2 3.8Å; P83-F86 HydrophobicContact CG-CE2 3.94Å; P83-F86 WeakPolarHBondContact O-CB 3.39Å; P83-F86 PolarHBondContact O-N 3.22Å; H84-F86 VanDerWaalsContact C-N 3.28Å; H84-F86 PolarHBondContact O-N 2.9Å; F86-W408 HydrophobicContact CB-CB 4.42Å; F86-W408 HydrophobicContact CB-CE3 3.83Å; F86-W408 HydrophobicContact CD1-CB 3.76Å; F86-W408 HydrophobicContact CG-CB 4.46Å; F86-Q409 CarbonylContact C-O 3.12Å; F86-Q409 WeakPolarHBondContact CA-O 3.28Å; F86-D410 HydrophobicContact CD1-CB 4.36Å; F86-D410 HydrophobicContact CE1-CB 3.95Å; F86-D410 HydrophobicContact CZ-CB 4.3Å; F86-M446 HydrophobicContact CD2-CG 4.23Å; F86-M446 HydrophobicContact CE1-CB 4.36Å; F86-M446 HydrophobicContact CE1-CG 4.1Å; F86-M446 HydrophobicContact CE2-CG 3.76Å; F86-M446 HydrophobicContact CZ-CB 4.04Å; F86-M446 HydrophobicContact CZ-CG 3.69Å
87	K	96.8	Very high	96.3	Very high	104 Å²	104	30 Å²	30	45%	0.452	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.2	172	-173.1	-175.3	173.4	-171.3	0	109.5	W408 Q409 R411	K87-W408 CarbonylContact O-C 3.58Å; K87-W408 WeakPolarHBondContact O-CA 3.45Å; K87-Q409 PolarHBondContact N-O 3.13Å; K87-Q409 PolarHBondContact O-N 3.01Å; K87-R411 HydrophobicContact CB-CG 4.18Å
88	L	98	Very high	96.8	Very high	8 Å²	8	29 Å²	29	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.6	171.6	-172.5	70	0	0	0	109.6	V91 Y184 H188 L190 E406 W408	L88-V91 HydrophobicContact CD1-CG2 3.99Å; L88-V91 HydrophobicContact CD2-CG2 3.8Å; L88-V91 HydrophobicContact CG-CG2 4.14Å; L88-Y184 HydrophobicContact CD2-CD1 3.41Å; L88-Y184 VanDerWaalsContact CD2-CD1 3.41Å; L88-Y184 HydrophobicContact CD2-CE1 3.88Å; L88-Y184 HydrophobicContact CD2-CG 4.28Å; L88-H188 HydrophobicContact CB-CB 4.25Å; L88-H188 HydrophobicContact CD2-CB 3.86Å; L88-L190 HydrophobicContact CD2-CD1 4.28Å; L88-L190 HydrophobicContact CG-CD1 4.23Å; L88-E406 HydrophobicContact CD1-CB 3.88Å; L88-E406 HydrophobicContact CD1-CG 4.29Å; L88-W408 HydrophobicContact CB-CE3 3.99Å; L88-W408 HydrophobicContact CB-CH2 4.06Å; L88-W408 HydrophobicContact CB-CZ3 3.75Å; L88-W408 HydrophobicContact CD1-CD2 3.99Å; L88-W408 HydrophobicContact CD1-CE3 4.32Å; L88-W408 HydrophobicContact CD1-CH2 4.16Å; L88-W408 HydrophobicContact CD1-CZ2 3.79Å; L88-W408 HydrophobicContact CD1-CZ3 4.4Å
89	V	97.3	Very high	96.9	Very high	24 Å²	24	25 Å²	25	15%	0.145	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-44.8	-175.4	-176.8	0	0	0	0	111.9	L190 A363 L407 Q409	V89-L190 WeakPolarHBondContact O-CD1 3.5Å; V89-A363 HydrophobicContact CG1-CB 4.05Å; V89-L407 HydrophobicContact CB-CD2 4.19Å; V89-L407 HydrophobicContact CB-CG 4.24Å; V89-L407 HydrophobicContact CG1-CD2 4.21Å; V89-L407 PolarHBondContact N-O 3.34Å; V89-Q409 HydrophobicContact CG2-CB 3.52Å
90	S	98.4	Very high	97	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	151	-177.5	169.5	0	0	0	0	110.6	H92 L371 L407	S90-H92 PolarHBondContact OG-NE2 2.99Å; S90-L371 CarbonylContact C-O 3.57Å; S90-L371 WeakPolarHBondContact CA-O 3.29Å; S90-L371 PolarHBondContact OG-O 2.66Å; S90-L407 PolarHBondContact O-N 3.38Å
91	V	98.8	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.5	179	179.9	0	0	0	0	110.3	L88 V93 Y184 L190 L371 F372 A373 I404 F405	L88-V91 HydrophobicContact CD1-CG2 3.99Å; L88-V91 HydrophobicContact CD2-CG2 3.8Å; L88-V91 HydrophobicContact CG-CG2 4.14Å; V91-V93 HydrophobicContact CG1-CG2 3.74Å; V91-Y184 HydrophobicContact CB-CE2 4.41Å; V91-Y184 HydrophobicContact CG1-CD2 4.14Å; V91-Y184 HydrophobicContact CG1-CE2 3.58Å; V91-Y184 HydrophobicContact CG2-CD1 4.14Å; V91-Y184 HydrophobicContact CG2-CD2 4.26Å; V91-Y184 HydrophobicContact CG2-CE1 4.06Å; V91-Y184 HydrophobicContact CG2-CE2 4.15Å; V91-Y184 HydrophobicContact CG2-CG 4.25Å; V91-L190 HydrophobicContact CB-CD2 3.98Å; V91-L190 HydrophobicContact CG2-CD2 3.67Å; V91-L371 PolarHBondContact N-O 3.47Å; V91-F372 HydrophobicContact CB-CD2 4.29Å; V91-F372 HydrophobicContact CG1-CD2 4.4Å; V91-F372 HydrophobicContact CG1-CE2 4.44Å; V91-F372 WeakPolarHBondContact O-CA 3.35Å; V91-A373 PolarHBondContact O-N 2.04Å; V91-I404 HydrophobicContact CG1-CG2 3.75Å; V91-F405 WeakPolarHBondContact CA-O 3.47Å
92	H	98.8	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124	170.8	-64.1	-98.7	0	0	0	110	S90 F94 T356 R359 A373 Y375 I404 F405	S90-H92 PolarHBondContact OG-NE2 2.99Å; H92-F94 HydrophobicContact CB-CE2 4.21Å; H92-T356 HydrophobicContact CB-CG2 4.11Å; H92-R359 WeakPolarHBondContact CE1-CB 3.17Å; H92-R359 VanDerWaalsContact CE1-CD 3.48Å; H92-R359 WeakPolarHBondContact CE1-CD 3.45Å; H92-A373 CarbonylContact C-O 3.01Å; H92-A373 WeakPolarHBondContact CA-O 3.35Å; H92-A373 HydrophobicContact CB-CB 4.48Å; H92-A373 VanDerWaalsContact ND1-CB 3.33Å; H92-A373 WeakPolarHBondContact ND1-CB 3Å; H92-Y375 HydrophobicContact CB-CE2 4.22Å; H92-Y375 AromaticContact ND1-CE2 3.84Å; H92-Y375 PolarHBondContact ND1-OH 3.41Å; H92-I404 CarbonylContact O-C 3.51Å; H92-I404 VanDerWaalsContact O-CA 3.27Å; H92-I404 WeakPolarHBondContact O-CA 3.49Å; H92-F405 HydrophobicContact CB-CB 4.24Å; H92-F405 PolarHBondContact N-O 3.46Å; H92-F405 PolarHBondContact O-N 2.96Å
93	V	98.9	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.6	-176.1	-173.4	0	0	0	0	109.3	V91 I95 L180 F372 A373 L374 Y375 I404	V91-V93 HydrophobicContact CG1-CG2 3.74Å; V93-I95 HydrophobicContact CG1-CG2 3.87Å; V93-L180 HydrophobicContact CG1-CD1 4.09Å; V93-L180 HydrophobicContact CG2-CD1 4.14Å; V93-F372 HydrophobicContact CB-CZ 4.48Å; V93-F372 HydrophobicContact CG2-CE2 3.68Å; V93-F372 HydrophobicContact CG2-CZ 3.81Å; V93-A373 PolarHBondContact N-O 2.99Å; V93-L374 HydrophobicContact CB-CD1 4.11Å; V93-L374 HydrophobicContact CG1-CD1 4.07Å; V93-L374 WeakPolarHBondContact O-CA 3.49Å; V93-Y375 PolarHBondContact O-N 2.98Å; V93-I404 HydrophobicContact CG1-CG1 4.16Å; V93-I404 HydrophobicContact CG2-CG1 4.25Å
94	F	98.8	Very high	97.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.9	170.4	-63.2	-93.6	0	0	0	108.6	H92 I352 T356 Y375 L382 R402 L403 F405	H92-F94 HydrophobicContact CB-CE2 4.21Å; F94-I352 HydrophobicContact CE1-CD1 3.94Å; F94-I352 HydrophobicContact CE1-CG1 3.45Å; F94-I352 VanDerWaalsContact CE1-CG1 3.45Å; F94-I352 HydrophobicContact CZ-CD1 4.33Å; F94-I352 HydrophobicContact CZ-CG1 3.92Å; F94-T356 WeakPolarHBondContact CZ-OG1 3.29Å; F94-Y375 AromaticContact CD1-CD2 3.64Å; F94-Y375 HydrophobicContact CD1-CD2 3.64Å; F94-Y375 HydrophobicContact CD1-CE2 4.47Å; F94-Y375 AromaticContact CD1-CG 3.81Å; F94-Y375 HydrophobicContact CD1-CG 3.81Å; F94-Y375 HydrophobicContact CD2-CD2 4.15Å; F94-Y375 HydrophobicContact CE1-CD1 4.19Å; F94-Y375 AromaticContact CE1-CD2 3.27Å; F94-Y375 HydrophobicContact CE1-CD2 3.27Å; F94-Y375 AromaticContact CE1-CE2 3.71Å; F94-Y375 HydrophobicContact CE1-CE2 3.71Å; F94-Y375 AromaticContact CE1-CG 3.52Å; F94-Y375 HydrophobicContact CE1-CG 3.52Å; F94-Y375 AromaticContact CE2-CD2 3.84Å; F94-Y375 HydrophobicContact CE2-CD2 3.84Å; F94-Y375 AromaticContact CE2-CE2 3.89Å; F94-Y375 HydrophobicContact CE2-CE2 3.89Å; F94-Y375 HydrophobicContact CG-CD2 4.05Å; F94-Y375 AromaticContact CZ-CD2 3.39Å; F94-Y375 HydrophobicContact CZ-CD2 3.39Å; F94-Y375 AromaticContact CZ-CE2 3.38Å; F94-Y375 HydrophobicContact CZ-CE2 3.38Å; F94-Y375 HydrophobicContact CZ-CG 4.1Å; F94-L382 HydrophobicContact CB-CD1 4.25Å; F94-R402 CarbonylContact O-C 3.56Å; F94-R402 VanDerWaalsContact O-CA 3.28Å; F94-R402 WeakPolarHBondContact O-CA 3.41Å; F94-L403 HydrophobicContact CB-CB 4.19Å; F94-L403 PolarHBondContact N-O 3.33Å; F94-L403 PolarHBondContact O-N 3.26Å; F94-F405 HydrophobicContact CD2-CD2 4.01Å; F94-F405 AromaticContact CD2-CE2 3.92Å; F94-F405 HydrophobicContact CD2-CE2 3.92Å; F94-F405 AromaticContact CE2-CD2 3.76Å; F94-F405 HydrophobicContact CE2-CD2 3.76Å; F94-F405 AromaticContact CE2-CE2 3.7Å; F94-F405 HydrophobicContact CE2-CE2 3.7Å
95	I	98.8	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.6	176.3	62.6	171	0	0	0	111.7	V93 H173 L217 L374 Y375 S376 A377 A401 R402	V93-I95 HydrophobicContact CG1-CG2 3.87Å; I95-H173 VanDerWaalsContact CD1-CE1 3.49Å; I95-H173 WeakPolarHBondContact CD1-CE1 3.24Å; I95-L217 HydrophobicContact CD1-CB 4.48Å; I95-L217 HydrophobicContact CD1-CD1 4.08Å; I95-L217 HydrophobicContact CG2-CD1 3.66Å; I95-L374 HydrophobicContact CD1-CD1 4.17Å; I95-L374 HydrophobicContact CG1-CD1 4.23Å; I95-L374 HydrophobicContact CG2-CD1 4.3Å; I95-Y375 PolarHBondContact N-O 3.49Å; I95-S376 WeakPolarHBondContact CD1-OG 3.43Å; I95-A377 CarbonylContact O-C 3.5Å; I95-A377 WeakPolarHBondContact O-CA 3.28Å; I95-A377 WeakPolarHBondContact O-CB 3.33Å; I95-A377 PolarHBondContact O-N 3.24Å; I95-A401 VanDerWaalsContact CA-O 3.29Å; I95-A401 WeakPolarHBondContact CA-O 3.4Å; I95-R402 HydrophobicContact CG2-CB 4.11Å
96	R	98.8	Very high	97.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.8	153.6	-174.4	-174.6	-173.7	-152	-2.8	107.7	Y67 H173 D379 L382 P397 R398 F399 A400 A401	Y67-R96 PolarHBondContact OH-NH2 2.85Å; R96-H173 PolarHBondContact O-CE1 3.32Å; R96-H173 PolarHBondContact O-NE2 3.35Å; R96-H173 VanDerWaalsContact O-NE2 3.12Å; R96-D379 IonicContact CZ-OD2 3.45Å; R96-D379 VanDerWaalsContact CZ-OD2 3.3Å; R96-D379 IonicContact NE-OD2 3.49Å; R96-D379 PolarHBondContact NE-OD2 3.27Å; R96-D379 IonicContact NH2-OD2 3.04Å; R96-D379 PolarHBondContact NH2-OD2 3.42Å; R96-L382 HydrophobicContact CB-CD2 4.33Å; R96-P397 VanDerWaalsContact CD-O 3.24Å; R96-P397 WeakPolarHBondContact CD-O 3.35Å; R96-P397 VanDerWaalsContact CZ-O 3.32Å; R96-P397 PolarHBondContact NE-O 3.44Å; R96-P397 PolarHBondContact NH1-O 3.03Å; R96-R398 VanDerWaalsContact CD-O 3.23Å; R96-R398 WeakPolarHBondContact CD-O 3.42Å; R96-F399 VanDerWaalsContact NH1-N 3.2Å; R96-A400 WeakPolarHBondContact O-CA 3.18Å; R96-A401 HydrophobicContact CB-CB 4.39Å; R96-A401 PolarHBondContact N-O 3Å
97	H	98.8	Very high	97.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.096	C	C	.	.			trans	-52.5	159.6	167.5	67	70.6	0	0	0	112.6	R100 R209 T210 S213 A377 H378 F399 A400	H97-R100 VanDerWaalsContact CE1-CD 3.47Å; H97-R100 WeakPolarHBondContact CE1-CD 3.4Å; H97-R100 PolarHBondContact CE1-NE 3.07Å; H97-R209 HydrophobicContact CB-CG 4.49Å; H97-R209 PolarHBondContact NE2-NE 2.75Å; H97-T210 HydrophobicContact CB-CG2 4.1Å; H97-S213 WeakPolarHBondContact CA-OG 3.37Å; H97-S213 WeakPolarHBondContact CB-OG 3.3Å; H97-A377 PolarHBondContact N-O 3.32Å; H97-H378 AromaticContact CD2-ND1 3.73Å; H97-F399 AromaticContact CE1-CE1 3.95Å; H97-A400 PolarHBondContact O-N 2.91Å
98	G	98.6	Very high	97.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.			trans	-73.1	-176.4	178.2	0	0	0	0	0	113.6	Q172 H173 S213 F399	G98-Q172 VanDerWaalsContact CA-OE1 3.28Å; G98-H173 PolarHBondContact N-CD2 2.79Å; G98-H173 PolarHBondContact N-NE2 3.34Å; G98-S213 PolarHBondContact N-OG 3.21Å; G98-F399 WeakPolarHBondContact O-CD1 3.33Å
99	D	98.5	Very high	97.1	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	11%	0.11	C	C	.	.			trans	-52.9	141.6	172.1	177.9	-96.9	0	0	0	112	L165 T166 T168 G169 H304 F399	D99-L165 VanDerWaalsContact O-CD1 3.29Å; D99-L165 WeakPolarHBondContact O-CD1 3.46Å; D99-T166 PolarHBondContact O-N 2.87Å; D99-T166 VanDerWaalsContact O-N 3.1Å; D99-T166 PolarHBondContact O-OG1 2.89Å; D99-T166 PolarHBondContact OD1-OG1 2.86Å; D99-T168 HydrophobicContact CB-CG2 3.67Å; D99-G169 VanDerWaalsContact N-CA 3.33Å; D99-G169 WeakPolarHBondContact O-CA 3.26Å; D99-H304 IonicContact OD1-CE1 2.82Å; D99-H304 PolarHBondContact OD1-CE1 3.46Å; D99-H304 IonicContact OD1-NE2 2.76Å; D99-H304 PolarHBondContact OD1-NE2 3.49Å; D99-H304 IonicContact OD2-NE2 3.31Å; D99-F399 HydrophobicContact CB-CB 4.4Å; D99-F399 HydrophobicContact CB-CD2 3.92Å; D99-F399 HydrophobicContact CB-CE2 4.33Å; D99-F399 HydrophobicContact CB-CG 4.16Å; D99-F399 WeakPolarHBondContact OD2-CE2 3.24Å
100	R	97.9	Very high	96.8	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-148.2	158.2	-169.3	58.7	161.2	179.3	70.4	4.7	111.5	H97 E164 D296 F399	H97-R100 VanDerWaalsContact CE1-CD 3.47Å; H97-R100 WeakPolarHBondContact CE1-CD 3.4Å; H97-R100 PolarHBondContact CE1-NE 3.07Å; R100-E164 CarbonylContact C-O 3.41Å; R100-E164 WeakPolarHBondContact CA-O 3.33Å; R100-E164 VanDerWaalsContact CB-O 3.22Å; R100-E164 WeakPolarHBondContact CB-O 3.34Å; R100-D296 IonicContact CZ-OD1 3.91Å; R100-D296 IonicContact NH1-OD1 2.8Å; R100-D296 PolarHBondContact NH1-OD1 2.99Å; R100-D296 IonicContact NH1-OD2 3.63Å; R100-D296 PolarHBondContact NH1-OD2 3.45Å; R100-D296 IonicContact NH2-OD1 3.28Å; R100-D296 PolarHBondContact NH2-OD1 3.14Å; R100-F399 HydrophobicContact CG-CE1 3.89Å; R100-F399 HydrophobicContact CG-CZ 4.07Å
101	Y	97.6	Very high	96.4	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	17%	0.17	C	C	.	.			trans	-61.2	155.7	165.2	-158.8	-109.2	0	0	0	110.7	R111 P112 I114 C160 E161 G163 E164	Y101-R111 WeakPolarHBondContact OH-CB 3.3Å; Y101-P112 HydrophobicContact CE2-CB 4.27Å; Y101-P112 HydrophobicContact CE2-CG 4.01Å; Y101-P112 VanDerWaalsContact OH-CD 3.3Å; Y101-P112 WeakPolarHBondContact OH-CD 3.44Å; Y101-P112 PolarHBondContact OH-O 3.15Å; Y101-I114 HydrophobicContact CD2-CB 4.03Å; Y101-I114 HydrophobicContact CD2-CD1 4.34Å; Y101-I114 HydrophobicContact CD2-CG2 4.26Å; Y101-I114 HydrophobicContact CE2-CB 3.97Å; Y101-I114 HydrophobicContact CE2-CD1 4.32Å; Y101-C160 HydrophobicContact CD1-CB 3.69Å; Y101-C160 HydrophobicContact CD2-CB 3.51Å; Y101-C160 HydrophobicContact CE1-CB 4.18Å; Y101-C160 HydrophobicContact CE2-CB 4.03Å; Y101-C160 HydrophobicContact CG-CB 3.34Å; Y101-E161 VanDerWaalsContact CD1-O 3.3Å; Y101-E161 WeakPolarHBondContact CD1-O 3.49Å; Y101-G163 WeakPolarHBondContact O-CA 3.32Å; Y101-G163 PolarHBondContact O-N 3.17Å; Y101-E164 PolarHBondContact N-O 2.79Å
102	P	96.4	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.173	C	C	.	.			trans	-60	143.9	-176.9	-22.7	34.2	0	0	0	112.5	Y104 P112 M162 G163 C300	P102-Y104 WeakPolarHBondContact CB-O 3.09Å; P102-P112 HydrophobicContact CG-CG 4.44Å; P102-M162 CarbonylContact O-C 3.54Å; P102-M162 VanDerWaalsContact O-CA 3.28Å; P102-M162 WeakPolarHBondContact O-CA 3.41Å; P102-G163 PolarHBondContact O-N 2.8Å; P102-C300 WeakPolarHBondContact CD-SG 3.35Å; P102-C300 HydrophobicContact CG-CB 3.52Å
103	L	94.8	Very high	95.7	Very high	55 Å²	55	47.1 Å²	47.1	29%	0.288	21%	0.214	S	C	.	.	S	Bend	trans	-79.4	-29.5	165.4	-73	170.8	0	0	0	111.4	D296	L103-D296 WeakPolarHBondContact CA-OD2 3.4Å; L103-D296 WeakPolarHBondContact CB-OD2 3.17Å; L103-D296 PolarHBondContact N-OD2 3.27Å
104	Y	94.6	Very high	95.4	Very high	111 Å²	111	47.9 Å²	47.9	44%	0.435	22%	0.218	S	C	.	.	S	Bend	trans	-122.5	150.9	179	-55.9	-83.6	0	0	0	110.8	P102 A292 N293 D296 S297	P102-Y104 WeakPolarHBondContact CB-O 3.09Å; Y104-A292 VanDerWaalsContact CB-O 3.24Å; Y104-A292 WeakPolarHBondContact CB-O 3.49Å; Y104-N293 HydrophobicContact CD1-CB 4.47Å; Y104-N293 HydrophobicContact CD2-CB 4.05Å; Y104-N293 HydrophobicContact CE2-CB 4.45Å; Y104-N293 HydrophobicContact CG-CB 4.06Å; Y104-D296 HydrophobicContact CD2-CB 4.06Å; Y104-D296 PolarHBondContact N-OD2 3.32Å; Y104-D296 VanDerWaalsContact N-OD2 3.13Å; Y104-S297 WeakPolarHBondContact O-CB 3.12Å
105	V	92.4	Very high	95.1	Very high	66 Å²	66	50 Å²	50	40%	0.4	23%	0.23	S	C	.	.			trans	-119.8	144.7	179.6	-63	0	0	0	0	110.1	P107 M162	V105-P107 WeakPolarHBondContact O-CD 3.49Å; V105-M162 HydrophobicContact CG1-SD 4.46Å
106	I	96.1	Very high	95	Very high	3 Å²	3	50 Å²	50	2%	0.015	23%	0.23	C	C	.	.			trans	-68.4	125.1	168.2	-58.5	178.4	0	0	0	107.2	T109 V282 L289 P294 M298 P309	I106-T109 HydrophobicContact CB-CG2 3.96Å; I106-T109 HydrophobicContact CG2-CG2 3.67Å; I106-T109 PolarHBondContact O-OG1 2.82Å; I106-V282 HydrophobicContact CG2-CG1 3.75Å; I106-L289 HydrophobicContact CG2-CD1 4.07Å; I106-P294 HydrophobicContact CD1-CB 4.17Å; I106-P294 HydrophobicContact CG1-CB 3.91Å; I106-M298 HydrophobicContact CD1-CG 3.94Å; I106-P309 HydrophobicContact CD1-CG 3.86Å
107	P	95.8	Very high	94.9	Very high	22 Å²	22	51.5 Å²	51.5	14%	0.143	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	150.8	-177.6	-24.9	35	0	0	0	112.2	V105 T109 V282 V284 A292	V105-P107 WeakPolarHBondContact O-CD 3.49Å; P107-T109 PolarHBondContact O-N 2.63Å; P107-T109 VanDerWaalsContact O-N 3.08Å; P107-V282 WeakPolarHBondContact O-CB 3.43Å; P107-V284 HydrophobicContact CB-CG1 4.06Å; P107-A292 HydrophobicContact CG-CB 3.8Å
108	K	95.3	Very high	94.8	Very high	135 Å²	135	52.7 Å²	52.7	59%	0.587	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	19.2	177.2	-66.7	179.4	165.6	180	0	114.8	V282 D283 V284	K108-V282 WeakPolarHBondContact CB-O 3.33Å; K108-V282 WeakPolarHBondContact CD-O 3.28Å; K108-D283 HydrophobicContact CD-CB 4.37Å; K108-D283 PolarHBondContact NZ-O 3.06Å; K108-D283 IonicContact NZ-OD2 2.75Å; K108-D283 PolarHBondContact NZ-OD2 3.27Å; K108-V284 HydrophobicContact CD-CG1 3.83Å; K108-V284 HydrophobicContact CG-CG1 4.29Å
109	T	94.1	Very high	94.6	Very high	32 Å²	32	55.8 Å²	55.8	20%	0.196	26%	0.264	C	S	.	.			trans	-106.5	160.4	172.4	69.6	0	0	0	0	112.1	I106 P107 V282 P309	I106-T109 HydrophobicContact CB-CG2 3.96Å; I106-T109 HydrophobicContact CG2-CG2 3.67Å; I106-T109 PolarHBondContact O-OG1 2.82Å; P107-T109 PolarHBondContact O-N 2.63Å; P107-T109 VanDerWaalsContact O-N 3.08Å; T109-V282 HydrophobicContact CG2-CG1 3.74Å; T109-P309 HydrophobicContact CG2-CB 3.56Å; T109-P309 HydrophobicContact CG2-CG 3.79Å
110	K	91.7	Very high	94.3	Very high	179 Å²	179	57.3 Å²	57.3	78%	0.778	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-67	155	169.2	-66.5	-175.4	-180	-178.7	0	110.4
111	R	89.9	Confident	94	Very high	170 Å²	170	64.2 Å²	64.2	64%	0.642	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-66.4	137.3	169.8	-72.1	-175.5	178.2	-167.8	0.8	109.4	Y101 E113	Y101-R111 WeakPolarHBondContact OH-CB 3.3Å; R111-E113 PolarHBondContact O-N 3.08Å
112	P	91.5	Very high	93.8	Very high	10 Å²	10	67.1 Å²	67.1	7%	0.065	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-53.8	137.3	168	-5.2	0.9	0	0	0	110.8	Y101 P102 I114	Y101-P112 HydrophobicContact CE2-CB 4.27Å; Y101-P112 HydrophobicContact CE2-CG 4.01Å; Y101-P112 VanDerWaalsContact OH-CD 3.3Å; Y101-P112 WeakPolarHBondContact OH-CD 3.44Å; Y101-P112 PolarHBondContact OH-O 3.15Å; P102-P112 HydrophobicContact CG-CG 4.44Å; P112-I114 HydrophobicContact CB-CD1 3.73Å; P112-I114 HydrophobicContact CB-CG1 4.04Å; P112-I114 HydrophobicContact CG-CD1 4.49Å; P112-I114 PolarHBondContact O-N 3.46Å
113	E	91.3	Very high	93.6	Very high	183 Å²	183	75.5 Å²	75.5	86%	0.855	36%	0.362	S	S	*	.	S	Bend	trans	-76.9	68.4	178.8	-65.5	-179.6	177.9	0	0	110.4	R111	R111-E113 PolarHBondContact O-N 3.08Å
114	I	92.3	Very high	93.6	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.087	36%	0.355	C	S	.	.			trans	-125	127.7	179.7	-56.1	166.1	0	0	0	107.3	Y101 P112 C160 T166 C300 H304 V306	Y101-I114 HydrophobicContact CD2-CB 4.03Å; Y101-I114 HydrophobicContact CD2-CD1 4.34Å; Y101-I114 HydrophobicContact CD2-CG2 4.26Å; Y101-I114 HydrophobicContact CE2-CB 3.97Å; Y101-I114 HydrophobicContact CE2-CD1 4.32Å; P112-I114 HydrophobicContact CB-CD1 3.73Å; P112-I114 HydrophobicContact CB-CG1 4.04Å; P112-I114 HydrophobicContact CG-CD1 4.49Å; P112-I114 PolarHBondContact O-N 3.46Å; I114-C160 PolarHBondContact O-SG 2.86Å; I114-C160 VanDerWaalsContact O-SG 3.37Å; I114-T166 HydrophobicContact CG2-CG2 4.33Å; I114-C300 WeakPolarHBondContact CD1-SG 3.34Å; I114-H304 HydrophobicContact CD1-CB 3.71Å; I114-H304 VanDerWaalsContact CD1-CG 3.48Å; I114-H304 HydrophobicContact CG1-CB 4.1Å; I114-V306 HydrophobicContact CD1-CG2 4.43Å; I114-V306 HydrophobicContact CG1-CG2 4.07Å
115	D	92.3	Very high	93.5	Very high	47 Å²	47	74.8 Å²	74.8	25%	0.251	36%	0.358	S	S	.	.			trans	-102.7	159.6	170.3	72.5	85.3	0	0	0	111.8	T117 R122 P158	D115-T117 WeakPolarHBondContact OD1-CB 3.49Å; D115-T117 PolarHBondContact OD1-N 3.46Å; D115-T117 PolarHBondContact OD1-OG1 3.1Å; D115-R122 IonicContact OD1-CZ 3.6Å; D115-R122 VanDerWaalsContact OD1-CZ 3.28Å; D115-R122 IonicContact OD1-NH1 3.87Å; D115-R122 PolarHBondContact OD1-NH1 3.09Å; D115-R122 IonicContact OD1-NH2 2.68Å; D115-R122 PolarHBondContact OD1-NH2 3.16Å; D115-R122 IonicContact OD2-CZ 3.98Å; D115-R122 IonicContact OD2-NH1 3.82Å; D115-R122 PolarHBondContact OD2-NH1 3.34Å; D115-R122 IonicContact OD2-NH2 3.69Å; D115-P158 WeakPolarHBondContact CB-O 3.35Å
116	C	95.8	Very high	93.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-112.9	23.2	-178.1	-74	0	0	0	0	110.8	P155 N156 H157 C160 E164	C116-P155 HydrophobicContact CB-CB 4.24Å; C116-P155 CarbonylContact O-C 3.56Å; C116-P155 WeakPolarHBondContact O-CB 3.13Å; C116-N156 PolarHBondContact O-N 3.13Å; C116-H157 CarbonylContact C-O 3.54Å; C116-H157 WeakPolarHBondContact CA-O 3.48Å; C116-H157 PolarHBondContact N-O 2.95Å; C116-C160 VanDerWaalsContact CA-SG 3.59Å; C116-C160 HydrophobicContact CB-CB 4.09Å; C116-C160 WeakPolarHBondContact CB-SG 3.36Å; C116-C160 PolarHBondContact N-SG 3.28Å; C116-C160 WeakPolarHBondContact SG-CB 3.43Å; C116-C160 CovalentContact SG-SG 2.03Å; C116-C160 PolarHBondContact SG-SG 3.09Å; C116-E164 VanDerWaalsContact CB-CD 3.47Å; C116-E164 HydrophobicContact CB-CG 3.95Å; C116-E164 VanDerWaalsContact CB-OE1 3.29Å; C116-E164 WeakPolarHBondContact CB-OE1 3.29Å
117	T	96.4	Very high	93.5	Very high	31 Å²	31	77.7 Å²	77.7	19%	0.19	38%	0.377	C	S	.	.			trans	-78.5	156.7	172.1	68	0	0	0	0	110.5	D115 R122 H157 P158	D115-T117 WeakPolarHBondContact OD1-CB 3.49Å; D115-T117 PolarHBondContact OD1-N 3.46Å; D115-T117 PolarHBondContact OD1-OG1 3.1Å; T117-R122 PolarHBondContact O-NH2 2.89Å; T117-H157 PolarHBondContact N-O 2.82Å; T117-P158 HydrophobicContact CG2-CB 4.39Å
118	L	97	Very high	93.5	Very high	26 Å²	26	78.3 Å²	78.3	14%	0.136	38%	0.378	C	S	.	.			trans	-107.7	113.3	176	-60.5	-177	0	0	0	109.5	L129 F132 V133 Y154 P155 Q167 V170	L118-L129 HydrophobicContact CB-CD1 4.48Å; L118-L129 HydrophobicContact CD1-CD1 4.31Å; L118-F132 HydrophobicContact CD1-CD1 4.35Å; L118-F132 HydrophobicContact CD1-CE1 4Å; L118-V133 HydrophobicContact CB-CG2 3.87Å; L118-V133 HydrophobicContact CD1-CG2 3.66Å; L118-V133 HydrophobicContact CG-CG2 4.42Å; L118-Y154 HydrophobicContact CD1-CD2 4.01Å; L118-P155 HydrophobicContact CD1-CG 4.34Å; L118-P155 HydrophobicContact CD2-CG 4.03Å; L118-P155 HydrophobicContact CG-CG 4.25Å; L118-Q167 HydrophobicContact CD2-CB 3.73Å; L118-Q167 HydrophobicContact CD2-CG 3.99Å; L118-V170 HydrophobicContact CD1-CG1 4.33Å; L118-V170 HydrophobicContact CD1-CG2 4.22Å; L118-V170 HydrophobicContact CD2-CB 4.23Å; L118-V170 HydrophobicContact CD2-CG2 3.95Å
119	V	95.8	Very high	93.6	Very high	66 Å²	66	72 Å²	72	40%	0.4	35%	0.35	S	S	.	.			trans	-118.9	116.3	-176.6	-178.5	0	0	0	0	109.2	N121 R122 Q167	V119-N121 VanDerWaalsContact C-N 3.25Å; V119-N121 PolarHBondContact O-N 3.23Å; V119-N121 VanDerWaalsContact O-N 3.13Å; V119-R122 HydrophobicContact CB-CB 3.86Å; V119-R122 HydrophobicContact CG1-CB 4.09Å; V119-R122 PolarHBondContact O-N 3.03Å; V119-Q167 PolarHBondContact O-NE2 3.2Å; V119-Q167 VanDerWaalsContact O-NE2 3.16Å; V119-Q167 PolarHBondContact O-OE1 2.68Å
120	A	92.2	Very high	93.8	Very high	34 Å²	34	77.3 Å²	77.3	28%	0.281	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38	-172.2	0	0	0	0	0	114.1	Y125 E130	A120-Y125 WeakPolarHBondContact O-CB 3.31Å; A120-E130 HydrophobicContact CB-CB 4.3Å
121	N	90.6	Very high	94	Very high	155 Å²	155	70.9 Å²	70.9	83%	0.829	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.8	-175.9	-64.4	-33	0	0	0	114.1	V119	V119-N121 VanDerWaalsContact C-N 3.25Å; V119-N121 PolarHBondContact O-N 3.23Å; V119-N121 VanDerWaalsContact O-N 3.13Å
122	R	93.4	Very high	94.4	Very high	68 Å²	68	62.8 Å²	62.8	26%	0.257	32%	0.322	S	S	.	.	S	Bend	trans	-82.7	136.5	-179.9	173.6	167.7	68	176.6	10	110.9	D115 T117 V119 P124 Y125 Q167	D115-R122 IonicContact OD1-CZ 3.6Å; D115-R122 VanDerWaalsContact OD1-CZ 3.28Å; D115-R122 IonicContact OD1-NH1 3.87Å; D115-R122 PolarHBondContact OD1-NH1 3.09Å; D115-R122 IonicContact OD1-NH2 2.68Å; D115-R122 PolarHBondContact OD1-NH2 3.16Å; D115-R122 IonicContact OD2-CZ 3.98Å; D115-R122 IonicContact OD2-NH1 3.82Å; D115-R122 PolarHBondContact OD2-NH1 3.34Å; D115-R122 IonicContact OD2-NH2 3.69Å; T117-R122 PolarHBondContact O-NH2 2.89Å; V119-R122 HydrophobicContact CB-CB 3.86Å; V119-R122 HydrophobicContact CG1-CB 4.09Å; V119-R122 PolarHBondContact O-N 3.03Å; R122-P124 CarbonylContact O-C 3.39Å; R122-Y125 WeakPolarHBondContact O-CA 3.2Å; R122-Y125 VanDerWaalsContact O-CB 3.27Å; R122-Y125 WeakPolarHBondContact O-CB 3.42Å; R122-Y125 PolarHBondContact O-N 3.09Å; R122-Q167 PolarHBondContact O-NE2 3.5Å
123	K	93.1	Very high	94.7	Very high	175 Å²	175	64 Å²	64	76%	0.761	33%	0.329	S	S	*	.	S	Bend	trans	-79	142.5	172.7	-71.3	-177.1	-178.9	177.5	0	111.4	Y125	K123-Y125 HydrophobicContact CG-CD1 4.21Å
124	P	93.6	Very high	94.9	Very high	22 Å²	22	57.9 Å²	57.9	14%	0.143	31%	0.307	C	S	.	.	S	Bend	cis	-68.6	138.6	-10.8	31.4	-35.2	0	0	0	110.4	P71 R122 Q167 T168 V171	P71-P124 HydrophobicContact CB-CB 3.99Å; P71-P124 HydrophobicContact CG-CB 4.14Å; P71-P124 HydrophobicContact CG-CG 4.4Å; R122-P124 CarbonylContact O-C 3.39Å; P124-Q167 PolarHBondContact O-NE2 2.84Å; P124-T168 WeakPolarHBondContact CD-OG1 3.48Å; P124-T168 HydrophobicContact CG-CG2 4.04Å; P124-T168 WeakPolarHBondContact CG-OG1 3.43Å; P124-V171 HydrophobicContact CB-CG1 4.17Å; P124-V171 WeakPolarHBondContact O-CG2 3.36Å
125	Y	92.3	Very high	95.1	Very high	130 Å²	130	58.1 Å²	58.1	51%	0.51	31%	0.308	S	S	.	.			trans	-116.1	162.2	176.9	76.4	-83.4	0	0	0	110.6	A120 R122 K123	A120-Y125 WeakPolarHBondContact O-CB 3.31Å; R122-Y125 WeakPolarHBondContact O-CA 3.2Å; R122-Y125 VanDerWaalsContact O-CB 3.27Å; R122-Y125 WeakPolarHBondContact O-CB 3.42Å; R122-Y125 PolarHBondContact O-N 3.09Å; K123-Y125 HydrophobicContact CG-CD1 4.21Å
126	H	94.9	Very high	95.3	Very high	16 Å²	16	56 Å²	56	7%	0.074	30%	0.296	C	S	.	.			trans	-134.8	139.4	171.4	-169.7	-92.9	0	0	0	109.1	K128 L129 V171 L174 Q178	H126-K128 WeakPolarHBondContact ND1-CB 3.34Å; H126-K128 PolarHBondContact ND1-N 3.41Å; H126-K128 PolarHBondContact O-N 3.27Å; H126-K128 VanDerWaalsContact O-N 3.07Å; H126-L129 HydrophobicContact CB-CB 4.38Å; H126-L129 WeakPolarHBondContact O-CB 3.4Å; H126-L129 PolarHBondContact O-N 2.93Å; H126-V171 HydrophobicContact CB-CG1 4.1Å; H126-V171 HydrophobicContact CB-CG2 4.05Å; H126-L174 HydrophobicContact CB-CB 4.35Å; H126-L174 HydrophobicContact CB-CD1 3.96Å; H126-Q178 PolarHBondContact CE1-OE1 3.05Å; H126-Q178 PolarHBondContact NE2-OE1 2.76Å
127	P	95	Very high	95.3	Very high	113 Å²	113	59.5 Å²	59.5	73%	0.734	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.9	-179.8	-27.2	35.3	0	0	0	114.2
128	K	95.9	Very high	95	Very high	36 Å²	36	64.3 Å²	64.3	16%	0.157	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.5	176.6	-57.4	-176.2	-178.9	169.6	0	114.8	H126 E130 A131 F132 Q178 Y219 G220 P223	H126-K128 WeakPolarHBondContact ND1-CB 3.34Å; H126-K128 PolarHBondContact ND1-N 3.41Å; H126-K128 PolarHBondContact O-N 3.27Å; H126-K128 VanDerWaalsContact O-N 3.07Å; K128-E130 PolarHBondContact O-N 2.88Å; K128-A131 PolarHBondContact O-N 3.1Å; K128-F132 VanDerWaalsContact O-CB 3.26Å; K128-F132 WeakPolarHBondContact O-CB 3.4Å; K128-F132 PolarHBondContact O-N 3.04Å; K128-Q178 VanDerWaalsContact CE-OE1 3.31Å; K128-Y219 HydrophobicContact CB-CE1 4.17Å; K128-G220 PolarHBondContact NZ-O 3.32Å; K128-P223 HydrophobicContact CD-CG 4.37Å
129	L	97	Very high	94.2	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-44.7	-172.5	-177.9	60.6	0	0	0	111.9	L118 H126 F132 V133 Q167 V170 V171 L174	L118-L129 HydrophobicContact CB-CD1 4.48Å; L118-L129 HydrophobicContact CD1-CD1 4.31Å; H126-L129 HydrophobicContact CB-CB 4.38Å; H126-L129 WeakPolarHBondContact O-CB 3.4Å; H126-L129 PolarHBondContact O-N 2.93Å; L129-F132 HydrophobicContact CD1-CD1 4.44Å; L129-F132 WeakPolarHBondContact O-CB 3.26Å; L129-F132 PolarHBondContact O-N 3.34Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.37Å; L129-Q167 HydrophobicContact CD2-CG 4.06Å; L129-V170 HydrophobicContact CD1-CG1 3.72Å; L129-V171 HydrophobicContact CD2-CG2 4.35Å; L129-L174 HydrophobicContact CB-CD1 4.31Å; L129-L174 HydrophobicContact CD1-CD1 3.94Å
130	E	97	Very high	92.6	Very high	143 Å²	143	66.3 Å²	66.3	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-65.9	-45.2	178.4	-175.8	175	-159.4	0	0	112.1	A120 K128 F132 V133 S134	A120-E130 HydrophobicContact CB-CB 4.3Å; K128-E130 PolarHBondContact O-N 2.88Å; E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 3.26Å; E130-V133 PolarHBondContact O-N 3.19Å; E130-S134 PolarHBondContact O-N 3.46Å
131	A	97.7	Very high	91	Very high	44 Å²	44	66.9 Å²	66.9	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-37.6	176.8	0	0	0	0	0	111.8	K128 S134 H135 Y219	K128-A131 PolarHBondContact O-N 3.1Å; A131-S134 PolarHBondContact O-N 2.92Å; A131-H135 VanDerWaalsContact O-CB 3.27Å; A131-H135 WeakPolarHBondContact O-CB 3.47Å; A131-H135 PolarHBondContact O-N 3.47Å; A131-Y219 HydrophobicContact CB-CE1 4.3Å; A131-Y219 WeakPolarHBondContact CB-OH 3.41Å; A131-Y219 PolarHBondContact O-OH 3.27Å
132	F	97.8	Very high	89.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-51.9	171.8	166.4	-100.9	0	0	0	111.4	L118 K128 L129 E130 S134 H135 M136 V170 L174 A216 Y219	L118-F132 HydrophobicContact CD1-CD1 4.35Å; L118-F132 HydrophobicContact CD1-CE1 4Å; K128-F132 VanDerWaalsContact O-CB 3.26Å; K128-F132 WeakPolarHBondContact O-CB 3.4Å; K128-F132 PolarHBondContact O-N 3.04Å; L129-F132 HydrophobicContact CD1-CD1 4.44Å; L129-F132 WeakPolarHBondContact O-CB 3.26Å; L129-F132 PolarHBondContact O-N 3.34Å; E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 3.26Å; F132-S134 VanDerWaalsContact C-N 3.35Å; F132-S134 PolarHBondContact O-N 2.84Å; F132-H135 PolarHBondContact O-N 3.47Å; F132-M136 HydrophobicContact CD1-CG 4.45Å; F132-M136 HydrophobicContact CD2-CE 3.6Å; F132-M136 HydrophobicContact CD2-CG 3.82Å; F132-M136 HydrophobicContact CD2-SD 4.41Å; F132-M136 HydrophobicContact CE1-CG 4.11Å; F132-M136 HydrophobicContact CE2-CE 3.49Å; F132-M136 VanDerWaalsContact CE2-CE 3.49Å; F132-M136 HydrophobicContact CE2-CG 3.43Å; F132-M136 VanDerWaalsContact CE2-CG 3.43Å; F132-M136 HydrophobicContact CE2-SD 3.86Å; F132-M136 HydrophobicContact CG-CG 4.33Å; F132-M136 HydrophobicContact CZ-CG 3.6Å; F132-M136 HydrophobicContact CZ-SD 4.39Å; F132-M136 VanDerWaalsContact O-CG 3.3Å; F132-M136 WeakPolarHBondContact O-CG 3.26Å; F132-M136 PolarHBondContact O-N 3.42Å; F132-V170 HydrophobicContact CD1-CG1 3.9Å; F132-V170 HydrophobicContact CE1-CG1 3.6Å; F132-V170 HydrophobicContact CZ-CG1 4.22Å; F132-L174 HydrophobicContact CB-CD1 4.48Å; F132-L174 HydrophobicContact CB-CD2 4.1Å; F132-L174 HydrophobicContact CD2-CD2 4.18Å; F132-L174 HydrophobicContact CG-CD2 4.19Å; F132-A216 HydrophobicContact CE2-CB 4.04Å; F132-A216 HydrophobicContact CZ-CB 4.1Å; F132-Y219 VanDerWaalsContact CA-CE1 3.49Å; F132-Y219 HydrophobicContact CB-CD1 3.59Å; F132-Y219 HydrophobicContact CB-CE1 3.75Å; F132-Y219 HydrophobicContact CB-CG 4.26Å; F132-Y219 AromaticContact CD2-CD1 3.94Å; F132-Y219 HydrophobicContact CD2-CD1 3.94Å; F132-Y219 AromaticContact CD2-CG 3.84Å; F132-Y219 HydrophobicContact CD2-CG 3.84Å; F132-Y219 HydrophobicContact CG-CD1 4.26Å
133	V	97.1	Very high	89.1	Confident	35 Å²	35	61 Å²	61	21%	0.212	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-46.9	179.2	173.8	0	0	0	0	111	L118 L129 E130 H135 M136 S137 Y154	L118-V133 HydrophobicContact CB-CG2 3.87Å; L118-V133 HydrophobicContact CD1-CG2 3.66Å; L118-V133 HydrophobicContact CG-CG2 4.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.37Å; E130-V133 PolarHBondContact O-N 3.19Å; V133-H135 VanDerWaalsContact C-N 3.32Å; V133-H135 PolarHBondContact O-N 2.89Å; V133-M136 PolarHBondContact O-N 3.44Å; V133-S137 PolarHBondContact O-N 3.2Å; V133-Y154 HydrophobicContact CG1-CE2 4.03Å
134	S	96.7	Very high	88.9	Confident	56 Å²	56	53.6 Å²	53.6	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-42.8	176.5	-175.6	0	0	0	0	112	E130 A131 F132 S137 K138	E130-S134 PolarHBondContact O-N 3.46Å; A131-S134 PolarHBondContact O-N 2.92Å; F132-S134 VanDerWaalsContact C-N 3.35Å; F132-S134 PolarHBondContact O-N 2.84Å; S134-S137 PolarHBondContact O-OG 3.01Å; S134-K138 WeakPolarHBondContact O-CG 3.39Å
135	H	96.4	Very high	88.9	Confident	21 Å²	21	56.2 Å²	56.2	10%	0.097	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-43.8	178.8	-170.7	82.8	0	0	0	112.7	A131 F132 V133 S137 K138 Y219 F225 W227	A131-H135 VanDerWaalsContact O-CB 3.27Å; A131-H135 WeakPolarHBondContact O-CB 3.47Å; A131-H135 PolarHBondContact O-N 3.47Å; F132-H135 PolarHBondContact O-N 3.47Å; V133-H135 VanDerWaalsContact C-N 3.32Å; V133-H135 PolarHBondContact O-N 2.89Å; H135-S137 VanDerWaalsContact C-N 3.31Å; H135-S137 PolarHBondContact O-N 2.87Å; H135-K138 PolarHBondContact O-N 3.41Å; H135-K138 VanDerWaalsContact O-N 3.16Å; H135-Y219 HydrophobicContact CB-CD2 4.11Å; H135-Y219 HydrophobicContact CB-CE2 3.53Å; H135-Y219 AromaticContact CD2-CD2 3.82Å; H135-Y219 AromaticContact CD2-CE2 3.92Å; H135-Y219 AromaticContact CG-CD2 3.96Å; H135-Y219 AromaticContact CG-CE2 3.57Å; H135-F225 AromaticContact CD2-CZ 3.94Å; H135-F225 PolarHBondContact CE1-O 3.45Å; H135-F225 AromaticContact NE2-CD2 3.51Å; H135-F225 AromaticContact NE2-CE2 3.3Å; H135-F225 VanDerWaalsContact NE2-CE2 3.3Å; H135-F225 WeakPolarHBondContact NE2-CE2 3.4Å; H135-F225 AromaticContact NE2-CZ 3.65Å; H135-F225 PolarHBondContact NE2-O 3.03Å; H135-W227 AromaticContact CD2-CE2 3.9Å; H135-W227 AromaticContact CD2-CZ2 3.78Å; H135-W227 AromaticContact CD2-NE1 3.69Å; H135-W227 AromaticContact CE1-NE1 3.72Å; H135-W227 AromaticContact NE2-CD1 3.98Å; H135-W227 AromaticContact NE2-CE2 3.62Å; H135-W227 AromaticContact NE2-CZ2 3.94Å; H135-W227 AromaticContact NE2-NE1 3.27Å; H135-W227 PolarHBondContact NE2-NE1 3.12Å; H135-W227 PolarHBondContact O-NE1 2.99Å
136	M	96	Very high	88.8	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-34.9	177.4	-65	-52.4	131.6	0	0	112.1	F132 V133 K138 G139 L153 Y154 L215 Y219 F225 W227	F132-M136 HydrophobicContact CD1-CG 4.45Å; F132-M136 HydrophobicContact CD2-CE 3.6Å; F132-M136 HydrophobicContact CD2-CG 3.82Å; F132-M136 HydrophobicContact CD2-SD 4.41Å; F132-M136 HydrophobicContact CE1-CG 4.11Å; F132-M136 HydrophobicContact CE2-CE 3.49Å; F132-M136 VanDerWaalsContact CE2-CE 3.49Å; F132-M136 HydrophobicContact CE2-CG 3.43Å; F132-M136 VanDerWaalsContact CE2-CG 3.43Å; F132-M136 HydrophobicContact CE2-SD 3.86Å; F132-M136 HydrophobicContact CG-CG 4.33Å; F132-M136 HydrophobicContact CZ-CG 3.6Å; F132-M136 HydrophobicContact CZ-SD 4.39Å; F132-M136 VanDerWaalsContact O-CG 3.3Å; F132-M136 WeakPolarHBondContact O-CG 3.26Å; F132-M136 PolarHBondContact O-N 3.42Å; V133-M136 PolarHBondContact O-N 3.44Å; M136-K138 PolarHBondContact O-N 3.4Å; M136-K138 VanDerWaalsContact O-N 3.13Å; M136-G139 PolarHBondContact O-N 2.85Å; M136-G139 VanDerWaalsContact O-N 3.09Å; M136-L153 HydrophobicContact CB-CB 4.11Å; M136-L153 VanDerWaalsContact O-CD1 3.25Å; M136-L153 WeakPolarHBondContact O-CD1 3.4Å; M136-L153 HydrophobicContact SD-CB 4.48Å; M136-Y154 HydrophobicContact CB-CD1 3.59Å; M136-Y154 HydrophobicContact CB-CE1 4.22Å; M136-Y154 HydrophobicContact CB-CG 4.37Å; M136-L215 HydrophobicContact CE-CB 4.43Å; M136-L215 HydrophobicContact SD-CB 4.05Å; M136-L215 HydrophobicContact SD-CD1 4.22Å; M136-L215 HydrophobicContact SD-CD2 4.25Å; M136-L215 HydrophobicContact SD-CG 4.42Å; M136-Y219 HydrophobicContact CE-CD2 4.06Å; M136-Y219 HydrophobicContact CE-CG 4.24Å; M136-F225 HydrophobicContact CE-CE1 4.26Å; M136-F225 HydrophobicContact CE-CZ 3.91Å; M136-W227 HydrophobicContact CE-CH2 4.36Å; M136-W227 HydrophobicContact CE-CZ2 4.23Å; M136-W227 HydrophobicContact SD-CH2 3.65Å; M136-W227 HydrophobicContact SD-CZ2 3.75Å
137	S	94.5	Very high	88.7	Confident	74 Å²	74	55.8 Å²	55.8	52%	0.517	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-21.3	175.8	76.3	0	0	0	0	114	V133 S134 H135	V133-S137 PolarHBondContact O-N 3.2Å; S134-S137 PolarHBondContact O-OG 3.01Å; H135-S137 VanDerWaalsContact C-N 3.31Å; H135-S137 PolarHBondContact O-N 2.87Å
138	K	90.7	Very high	88.6	Confident	132 Å²	132	50.4 Å²	50.4	57%	0.574	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	2.1	-179.8	-60.6	169.6	-172.1	173.5	0	113.1	S134 H135 M136 S140	S134-K138 WeakPolarHBondContact O-CG 3.39Å; H135-K138 PolarHBondContact O-N 3.41Å; H135-K138 VanDerWaalsContact O-N 3.16Å; M136-K138 PolarHBondContact O-N 3.4Å; M136-K138 VanDerWaalsContact O-N 3.13Å; K138-S140 PolarHBondContact O-N 3.11Å
139	G	80.6	Confident	88.3	Confident	8 Å²	8	53.7 Å²	53.7	8%	0.082	33%	0.331	C	S	.	.			trans	-72.4	19.2	-173.6	0	0	0	0	0	116.2	M136 G141 A142	M136-G139 PolarHBondContact O-N 2.85Å; M136-G139 VanDerWaalsContact O-N 3.09Å; G139-G141 PolarHBondContact O-N 2.81Å; G139-A142 PolarHBondContact O-N 3.43Å
140	S	63.1	Low	88.1	Confident	127 Å²	127	57.9 Å²	57.9	89%	0.888	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-5	179.5	60.9	0	0	0	0	114.4	K138	K138-S140 PolarHBondContact O-N 3.11Å
141	G	57.3	Low	87.9	Confident	46 Å²	46	52.8 Å²	52.8	47%	0.474	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.5	177.5	0	0	0	0	0	115.3	G139	G139-G141 PolarHBondContact O-N 2.81Å
142	A	65.7	Low	87.8	Confident	24 Å²	24	53.9 Å²	53.9	20%	0.198	34%	0.341	C	S	.	.			trans	-76.3	127.2	-179	0	0	0	0	0	111.7	G139 F144 W227	G139-A142 PolarHBondContact O-N 3.43Å; A142-F144 HydrophobicContact CB-CD1 3.8Å; A142-F144 HydrophobicContact CB-CD2 4.48Å; A142-F144 HydrophobicContact CB-CE1 3.42Å; A142-F144 VanDerWaalsContact CB-CE1 3.42Å; A142-F144 HydrophobicContact CB-CE2 4.18Å; A142-F144 HydrophobicContact CB-CG 4.31Å; A142-F144 HydrophobicContact CB-CZ 3.63Å; A142-F144 PolarHBondContact O-N 3.28Å; A142-W227 HydrophobicContact CB-CD2 4.38Å; A142-W227 HydrophobicContact CB-CE3 3.39Å; A142-W227 HydrophobicContact CB-CZ3 3.69Å
143	S	78.3	Confident	87.7	Confident	75 Å²	75	55.3 Å²	55.3	52%	0.524	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	94.5	171.6	-69.3	0	0	0	0	108.6	Y231	S143-Y231 WeakPolarHBondContact O-CA 3.49Å; S143-Y231 WeakPolarHBondContact O-CD2 3.31Å; S143-Y231 WeakPolarHBondContact O-CE2 3.5Å
144	F	90.3	Very high	87.7	Confident	20 Å²	20	56 Å²	56	9%	0.088	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.1	176.5	-69.3	-9.8	0	0	0	111	A142 L148 N149 L153 L211 L215 W227 I230 F232	A142-F144 HydrophobicContact CB-CD1 3.8Å; A142-F144 HydrophobicContact CB-CD2 4.48Å; A142-F144 HydrophobicContact CB-CE1 3.42Å; A142-F144 VanDerWaalsContact CB-CE1 3.42Å; A142-F144 HydrophobicContact CB-CE2 4.18Å; A142-F144 HydrophobicContact CB-CG 4.31Å; A142-F144 HydrophobicContact CB-CZ 3.63Å; A142-F144 PolarHBondContact O-N 3.28Å; F144-L148 HydrophobicContact CB-CB 4Å; F144-L148 HydrophobicContact CD2-CB 4.43Å; F144-L148 HydrophobicContact CG-CB 4.5Å; F144-N149 HydrophobicContact CB-CB 4.12Å; F144-L153 HydrophobicContact CD2-CD2 4.4Å; F144-L153 HydrophobicContact CE2-CD2 3.37Å; F144-L153 HydrophobicContact CZ-CD2 3.98Å; F144-L211 HydrophobicContact CD2-CD2 4.41Å; F144-L211 HydrophobicContact CE2-CD1 4.2Å; F144-L211 HydrophobicContact CE2-CD2 4.12Å; F144-L211 HydrophobicContact CZ-CD1 4.41Å; F144-L215 HydrophobicContact CZ-CD2 4.29Å; F144-W227 HydrophobicContact CE1-CZ3 4.4Å; F144-W227 AromaticContact CZ-CZ3 3.96Å; F144-W227 HydrophobicContact CZ-CZ3 3.96Å; F144-I230 HydrophobicContact CE1-CG2 4.29Å; F144-F232 HydrophobicContact CD1-CB 3.99Å; F144-F232 HydrophobicContact CD1-CD2 4.37Å; F144-F232 HydrophobicContact CE1-CB 4.2Å; F144-F232 AromaticContact CE1-CD2 3.73Å; F144-F232 HydrophobicContact CE1-CD2 3.73Å; F144-F232 HydrophobicContact CE1-CG 4.41Å; F144-F232 HydrophobicContact CZ-CD2 4.2Å
145	E	92.4	Very high	87.7	Confident	76 Å²	76	53.4 Å²	53.4	36%	0.355	33%	0.33	S	S	.	.			trans	-67.5	138	173.4	-167.3	176.1	168.3	0	0	110.7	L148 F232 R233 H234	E145-L148 WeakPolarHBondContact O-CB 3.16Å; E145-L148 WeakPolarHBondContact O-CG 3.33Å; E145-L148 PolarHBondContact O-N 2.86Å; E145-F232 PolarHBondContact N-O 3.03Å; E145-R233 WeakPolarHBondContact OE2-CA 3.39Å; E145-H234 HydrophobicContact CB-CB 3.98Å; E145-H234 HydrophobicContact CG-CB 4Å; E145-H234 PolarHBondContact OE2-N 3.04Å
146	S	90.2	Very high	87.6	Confident	86 Å²	86	56.6 Å²	56.6	60%	0.601	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	137.7	176.8	-177.5	0	0	0	0	111.2	H234	S146-H234 PolarHBondContact O-ND1 2.72Å
147	P	92.6	Very high	87.6	Confident	51 Å²	51	60.1 Å²	60.1	33%	0.331	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	11.9	7.5	37.7	-35.1	0	0	0	114.3	N149 S150 H234	P147-N149 PolarHBondContact O-N 3.43Å; P147-N149 PolarHBondContact O-OD1 3.04Å; P147-S150 PolarHBondContact O-N 3.29Å; P147-S150 VanDerWaalsContact O-N 3.11Å; P147-S150 PolarHBondContact O-OG 2.84Å; P147-H234 WeakPolarHBondContact CD-CE1 3.39Å; P147-H234 VanDerWaalsContact CD-ND1 3.29Å; P147-H234 WeakPolarHBondContact CD-ND1 3.38Å
148	L	93.9	Very high	87.5	Confident	0 Å²	0	61 Å²	61	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30.5	-172.3	-59.1	176.1	0	0	0	113.1	F144 E145 S150 L151 T204 L211 F232 H234	F144-L148 HydrophobicContact CB-CB 4Å; F144-L148 HydrophobicContact CD2-CB 4.43Å; F144-L148 HydrophobicContact CG-CB 4.5Å; E145-L148 WeakPolarHBondContact O-CB 3.16Å; E145-L148 WeakPolarHBondContact O-CG 3.33Å; E145-L148 PolarHBondContact O-N 2.86Å; L148-S150 PolarHBondContact O-N 3.21Å; L148-S150 VanDerWaalsContact O-N 3.17Å; L148-L151 HydrophobicContact CD2-CD1 3.88Å; L148-L151 WeakPolarHBondContact O-CB 3.4Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-T204 HydrophobicContact CD1-CG2 3.69Å; L148-T204 HydrophobicContact CD2-CG2 3.82Å; L148-T204 HydrophobicContact CG-CG2 4.43Å; L148-L211 HydrophobicContact CB-CD2 4.46Å; L148-F232 HydrophobicContact CD1-CB 3.99Å; L148-H234 HydrophobicContact CD1-CB 3.96Å; L148-H234 HydrophobicContact CG-CB 4.04Å
149	N	90.2	Very high	87.5	Confident	105 Å²	105	60.9 Å²	60.9	56%	0.561	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.7	-22.3	175.9	64.1	-26.5	0	0	0	114.2	F144 P147	F144-N149 HydrophobicContact CB-CB 4.12Å; P147-N149 PolarHBondContact O-N 3.43Å; P147-N149 PolarHBondContact O-OD1 3.04Å
150	S	90.9	Very high	88.2	Confident	90 Å²	90	60.7 Å²	60.7	63%	0.629	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-89.5	-8.1	177.4	68.6	0	0	0	0	113.9	P147 L148	P147-S150 PolarHBondContact O-N 3.29Å; P147-S150 VanDerWaalsContact O-N 3.11Å; P147-S150 PolarHBondContact O-OG 2.84Å; L148-S150 PolarHBondContact O-N 3.21Å; L148-S150 VanDerWaalsContact O-N 3.17Å
151	L	94	Very high	89.7	Confident	37 Å²	37	60.9 Å²	60.9	19%	0.194	36%	0.357	C	S	.	.	S	Bend	trans	-87.9	143.9	-174.7	-61.9	179.2	0	0	0	111.5	L148 L211	L148-L151 HydrophobicContact CD2-CD1 3.88Å; L148-L151 WeakPolarHBondContact O-CB 3.4Å; L148-L151 PolarHBondContact O-N 3.19Å; L151-L211 HydrophobicContact CB-CD2 3.78Å; L151-L211 HydrophobicContact CD1-CD2 4.19Å
152	P	94.8	Very high	91.4	Very high	67 Å²	67	64.8 Å²	64.8	44%	0.435	36%	0.364	S	S	.	.			trans	-65.8	138	174.8	25.5	-32.1	0	0	0	111.4	Y154 Q212	P152-Y154 VanDerWaalsContact C-N 3.3Å; P152-Y154 PolarHBondContact O-N 3.45Å; P152-Q212 WeakPolarHBondContact O-CG 3.49Å; P152-Q212 PolarHBondContact O-NE2 3.14Å
153	L	95.8	Very high	92.9	Very high	29 Å²	29	63.7 Å²	63.7	15%	0.152	36%	0.355	C	S	.	.	S	Bend	trans	-74.3	-18.4	-176.5	-56.5	-176.2	0	0	0	113.9	M136 F144 L215 W227	M136-L153 HydrophobicContact CB-CB 4.11Å; M136-L153 VanDerWaalsContact O-CD1 3.25Å; M136-L153 WeakPolarHBondContact O-CD1 3.4Å; M136-L153 HydrophobicContact SD-CB 4.48Å; F144-L153 HydrophobicContact CD2-CD2 4.4Å; F144-L153 HydrophobicContact CE2-CD2 3.37Å; F144-L153 HydrophobicContact CZ-CD2 3.98Å; L153-L215 HydrophobicContact CB-CD1 4.09Å; L153-L215 HydrophobicContact CD2-CD1 3.89Å; L153-W227 HydrophobicContact CD1-CH2 4.07Å; L153-W227 HydrophobicContact CD1-CZ2 4.46Å
154	Y	96.7	Very high	93.8	Very high	51 Å²	51	60.4 Å²	60.4	20%	0.2	33%	0.331	C	S	.	.	S	Bend	trans	-153.4	155.6	175.4	64.9	-80.8	0	0	0	109.8	L118 V133 M136 P152 N156 Q212	L118-Y154 HydrophobicContact CD1-CD2 4.01Å; V133-Y154 HydrophobicContact CG1-CE2 4.03Å; M136-Y154 HydrophobicContact CB-CD1 3.59Å; M136-Y154 HydrophobicContact CB-CE1 4.22Å; M136-Y154 HydrophobicContact CB-CG 4.37Å; P152-Y154 VanDerWaalsContact C-N 3.3Å; P152-Y154 PolarHBondContact O-N 3.45Å; Y154-N156 HydrophobicContact CD2-CB 4.22Å; Y154-N156 HydrophobicContact CE2-CB 3.81Å; Y154-Q212 PolarHBondContact O-NE2 2.6Å
155	P	97	Very high	94.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	33%	0.327	C	S	.	.			trans	-74.6	141.8	175.7	33.4	-37.6	0	0	0	110.8	C116 L118 E164 L165 V170	C116-P155 HydrophobicContact CB-CB 4.24Å; C116-P155 CarbonylContact O-C 3.56Å; C116-P155 WeakPolarHBondContact O-CB 3.13Å; L118-P155 HydrophobicContact CD1-CG 4.34Å; L118-P155 HydrophobicContact CD2-CG 4.03Å; L118-P155 HydrophobicContact CG-CG 4.25Å; P155-E164 HydrophobicContact CB-CG 4.15Å; P155-E164 WeakPolarHBondContact CB-OE1 3.33Å; P155-L165 WeakPolarHBondContact CB-O 3.44Å; P155-L165 HydrophobicContact CG-CB 4.39Å; P155-L165 WeakPolarHBondContact CG-O 3.41Å; P155-V170 HydrophobicContact CG-CG2 3.97Å
156	N	95.6	Very high	94.5	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	31%	0.311	S	S	.	.			trans	-153.5	28.4	-178.8	-164.8	33.9	0	0	0	113.6	C116 Y154	C116-N156 PolarHBondContact O-N 3.13Å; Y154-N156 HydrophobicContact CD2-CB 4.22Å; Y154-N156 HydrophobicContact CE2-CB 3.81Å
157	H	94.7	Very high	94.9	Very high	76 Å²	76	52 Å²	52	35%	0.352	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-98	130.1	-179.3	-58.4	121.5	0	0	0	112	C116 T117 L159 E164	C116-H157 CarbonylContact C-O 3.54Å; C116-H157 WeakPolarHBondContact CA-O 3.48Å; C116-H157 PolarHBondContact N-O 2.95Å; T117-H157 PolarHBondContact N-O 2.82Å; H157-L159 WeakPolarHBondContact CB-O 3.37Å; H157-L159 PolarHBondContact O-N 2.85Å; H157-E164 IonicContact CE1-OE1 2.68Å; H157-E164 IonicContact CE1-OE2 3.63Å; H157-E164 IonicContact CG-OE1 2.92Å; H157-E164 IonicContact CG-OE2 3.39Å; H157-E164 IonicContact ND1-OE1 3.41Å; H157-E164 PolarHBondContact ND1-OE1 2.92Å; H157-E164 IonicContact ND1-OE2 3.78Å; H157-E164 PolarHBondContact ND1-OE2 3.49Å
158	P	92.3	Very high	95.1	Very high	94 Å²	94	50.5 Å²	50.5	61%	0.61	27%	0.273	S	S	*	.	S	Bend	trans	-66.3	-25.9	172.8	27.6	-34.1	0	0	0	112.1	D115 T117	D115-P158 WeakPolarHBondContact CB-O 3.35Å; T117-P158 HydrophobicContact CG2-CB 4.39Å
159	L	92.2	Very high	95.3	Very high	129 Å²	129	50.5 Å²	50.5	68%	0.675	27%	0.273	S	S	*	.	S	Bend	trans	-117.4	109.3	169.9	-67.5	172.9	0	0	0	107.6	H157	H157-L159 WeakPolarHBondContact CB-O 3.37Å; H157-L159 PolarHBondContact O-N 2.85Å
160	C	93.9	Very high	95.7	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.02	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.8	140	-179.2	-66.4	0	0	0	0	112.4	Y101 I114 C116	Y101-C160 HydrophobicContact CD1-CB 3.69Å; Y101-C160 HydrophobicContact CD2-CB 3.51Å; Y101-C160 HydrophobicContact CE1-CB 4.18Å; Y101-C160 HydrophobicContact CE2-CB 4.03Å; Y101-C160 HydrophobicContact CG-CB 3.34Å; I114-C160 PolarHBondContact O-SG 2.86Å; I114-C160 VanDerWaalsContact O-SG 3.37Å; C116-C160 VanDerWaalsContact CA-SG 3.59Å; C116-C160 HydrophobicContact CB-CB 4.09Å; C116-C160 WeakPolarHBondContact CB-SG 3.36Å; C116-C160 PolarHBondContact N-SG 3.28Å; C116-C160 WeakPolarHBondContact SG-CB 3.43Å; C116-C160 CovalentContact SG-SG 2.03Å; C116-C160 PolarHBondContact SG-SG 3.09Å
161	E	94.1	Very high	96.1	Very high	132 Å²	132	41.2 Å²	41.2	62%	0.617	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-78.5	160.9	162.9	-62.2	-164.6	143.7	0	0	111.7	Y101 G163 E164	Y101-E161 VanDerWaalsContact CD1-O 3.3Å; Y101-E161 WeakPolarHBondContact CD1-O 3.49Å; E161-G163 PolarHBondContact O-N 2.93Å; E161-E164 HydrophobicContact CB-CB 4.36Å; E161-E164 PolarHBondContact N-OE2 2.85Å; E161-E164 VanDerWaalsContact O-CB 3.24Å; E161-E164 WeakPolarHBondContact O-CB 3.39Å; E161-E164 PolarHBondContact O-N 2.98Å; E161-E164 VanDerWaalsContact O-N 3.07Å
162	M	94.9	Very high	96.3	Very high	127 Å²	127	39.6 Å²	39.6	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	125.2	178.6	-70.9	-169.5	-64.6	0	0	111.2	P102 V105 E164	P102-M162 CarbonylContact O-C 3.54Å; P102-M162 VanDerWaalsContact O-CA 3.28Å; P102-M162 WeakPolarHBondContact O-CA 3.41Å; V105-M162 HydrophobicContact CG1-SD 4.46Å; M162-E164 PolarHBondContact O-N 3.39Å
163	G	96.4	Very high	96.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	16.5	-178.4	0	0	0	0	0	115.2	Y101 P102 E161 R209	Y101-G163 WeakPolarHBondContact O-CA 3.32Å; Y101-G163 PolarHBondContact O-N 3.17Å; P102-G163 PolarHBondContact O-N 2.8Å; E161-G163 PolarHBondContact O-N 2.93Å; G163-R209 VanDerWaalsContact O-CD 3.32Å; G163-R209 WeakPolarHBondContact O-CD 3.16Å; G163-R209 PolarHBondContact O-NH1 3.33Å
164	E	97.6	Very high	96.5	Very high	6 Å²	6	35 Å²	35	3%	0.028	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-69.8	142.1	172.4	-172.5	172.2	171.4	0	0	111.1	R100 Y101 C116 P155 H157 E161 M162	R100-E164 CarbonylContact C-O 3.41Å; R100-E164 WeakPolarHBondContact CA-O 3.33Å; R100-E164 VanDerWaalsContact CB-O 3.22Å; R100-E164 WeakPolarHBondContact CB-O 3.34Å; Y101-E164 PolarHBondContact N-O 2.79Å; C116-E164 VanDerWaalsContact CB-CD 3.47Å; C116-E164 HydrophobicContact CB-CG 3.95Å; C116-E164 VanDerWaalsContact CB-OE1 3.29Å; C116-E164 WeakPolarHBondContact CB-OE1 3.29Å; P155-E164 HydrophobicContact CB-CG 4.15Å; P155-E164 WeakPolarHBondContact CB-OE1 3.33Å; H157-E164 IonicContact CE1-OE1 2.68Å; H157-E164 IonicContact CE1-OE2 3.63Å; H157-E164 IonicContact CG-OE1 2.92Å; H157-E164 IonicContact CG-OE2 3.39Å; H157-E164 IonicContact ND1-OE1 3.41Å; H157-E164 PolarHBondContact ND1-OE1 2.92Å; H157-E164 IonicContact ND1-OE2 3.78Å; H157-E164 PolarHBondContact ND1-OE2 3.49Å; E161-E164 HydrophobicContact CB-CB 4.36Å; E161-E164 PolarHBondContact N-OE2 2.85Å; E161-E164 VanDerWaalsContact O-CB 3.24Å; E161-E164 WeakPolarHBondContact O-CB 3.39Å; E161-E164 PolarHBondContact O-N 2.98Å; E161-E164 VanDerWaalsContact O-N 3.07Å; M162-E164 PolarHBondContact O-N 3.39Å
165	L	98.5	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-69.3	138.2	177.5	-164.5	74.8	0	0	0	110	D99 P155 V170 R209 Q212 S213	D99-L165 VanDerWaalsContact O-CD1 3.29Å; D99-L165 WeakPolarHBondContact O-CD1 3.46Å; P155-L165 WeakPolarHBondContact CB-O 3.44Å; P155-L165 HydrophobicContact CG-CB 4.39Å; P155-L165 WeakPolarHBondContact CG-O 3.41Å; L165-V170 HydrophobicContact CD2-CG2 3.65Å; L165-V170 HydrophobicContact CG-CG2 4.37Å; L165-R209 HydrophobicContact CB-CB 4.1Å; L165-R209 HydrophobicContact CD1-CB 4.22Å; L165-Q212 HydrophobicContact CD2-CB 3.7Å; L165-S213 WeakPolarHBondContact CD1-OG 3.23Å
166	T	98.1	Very high	96.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-94.9	172.5	177.7	69.8	0	0	0	0	110.4	D99 I114 T168 G169 V170	D99-T166 PolarHBondContact O-N 2.87Å; D99-T166 VanDerWaalsContact O-N 3.1Å; D99-T166 PolarHBondContact O-OG1 2.89Å; D99-T166 PolarHBondContact OD1-OG1 2.86Å; I114-T166 HydrophobicContact CG2-CG2 4.33Å; T166-T168 PolarHBondContact O-N 2.93Å; T166-T168 WeakPolarHBondContact OG1-CB 3.33Å; T166-T168 PolarHBondContact OG1-N 3.08Å; T166-G169 PolarHBondContact O-N 2.83Å; T166-G169 VanDerWaalsContact O-N 3.08Å; T166-G169 PolarHBondContact OG1-N 2.8Å; T166-V170 PolarHBondContact O-N 2.76Å; T166-V170 VanDerWaalsContact O-N 3.11Å
167	Q	97.8	Very high	96.7	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-37	169.4	-178.6	171.4	-44.5	0	0	112.6	L118 V119 R122 P124 L129 G169 V170 V171	L118-Q167 HydrophobicContact CD2-CB 3.73Å; L118-Q167 HydrophobicContact CD2-CG 3.99Å; V119-Q167 PolarHBondContact O-NE2 3.2Å; V119-Q167 VanDerWaalsContact O-NE2 3.16Å; V119-Q167 PolarHBondContact O-OE1 2.68Å; R122-Q167 PolarHBondContact O-NE2 3.5Å; P124-Q167 PolarHBondContact O-NE2 2.84Å; L129-Q167 HydrophobicContact CD2-CG 4.06Å; Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 2.81Å; Q167-V170 PolarHBondContact O-N 3.42Å; Q167-V171 HydrophobicContact CG-CG2 4.26Å; Q167-V171 WeakPolarHBondContact O-CG2 3.47Å; Q167-V171 PolarHBondContact O-N 3.49Å
168	T	97.8	Very high	96.9	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-45.8	174.7	-59.1	0	0	0	0	110.5	D99 P124 T166 V170 V171 Q172	D99-T168 HydrophobicContact CB-CG2 3.67Å; P124-T168 WeakPolarHBondContact CD-OG1 3.48Å; P124-T168 HydrophobicContact CG-CG2 4.04Å; P124-T168 WeakPolarHBondContact CG-OG1 3.43Å; T166-T168 PolarHBondContact O-N 2.93Å; T166-T168 WeakPolarHBondContact OG1-CB 3.33Å; T166-T168 PolarHBondContact OG1-N 3.08Å; T168-V170 PolarHBondContact O-N 2.86Å; T168-V171 PolarHBondContact O-N 3.28Å; T168-Q172 HydrophobicContact CG2-CG 4.42Å; T168-Q172 WeakPolarHBondContact O-CB 3.46Å; T168-Q172 VanDerWaalsContact O-CG 3.23Å; T168-Q172 WeakPolarHBondContact O-CG 3.47Å; T168-Q172 PolarHBondContact O-N 2.77Å
169	G	98.4	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-41.6	177.7	0	0	0	0	0	113.6	D99 T166 Q167 H173	D99-G169 VanDerWaalsContact N-CA 3.33Å; D99-G169 WeakPolarHBondContact O-CA 3.26Å; T166-G169 PolarHBondContact O-N 2.83Å; T166-G169 VanDerWaalsContact O-N 3.08Å; T166-G169 PolarHBondContact OG1-N 2.8Å; Q167-G169 VanDerWaalsContact C-N 3.29Å; Q167-G169 PolarHBondContact O-N 2.81Å; G169-H173 PolarHBondContact O-CD2 3.07Å; G169-H173 PolarHBondContact O-N 3.49Å
170	V	98.6	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-47.2	174.8	175.2	0	0	0	0	110.9	L118 L129 F132 P155 L165 T166 Q167 T168 Q172 H173 L174 A216	L118-V170 HydrophobicContact CD1-CG1 4.33Å; L118-V170 HydrophobicContact CD1-CG2 4.22Å; L118-V170 HydrophobicContact CD2-CB 4.23Å; L118-V170 HydrophobicContact CD2-CG2 3.95Å; L129-V170 HydrophobicContact CD1-CG1 3.72Å; F132-V170 HydrophobicContact CD1-CG1 3.9Å; F132-V170 HydrophobicContact CE1-CG1 3.6Å; F132-V170 HydrophobicContact CZ-CG1 4.22Å; P155-V170 HydrophobicContact CG-CG2 3.97Å; L165-V170 HydrophobicContact CD2-CG2 3.65Å; L165-V170 HydrophobicContact CG-CG2 4.37Å; T166-V170 PolarHBondContact O-N 2.76Å; T166-V170 VanDerWaalsContact O-N 3.11Å; Q167-V170 PolarHBondContact O-N 3.42Å; T168-V170 PolarHBondContact O-N 2.86Å; V170-Q172 PolarHBondContact O-N 3.39Å; V170-H173 PolarHBondContact O-N 2.98Å; V170-L174 HydrophobicContact CG1-CD1 3.94Å; V170-L174 HydrophobicContact CG1-CG 4.31Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; V170-L174 PolarHBondContact O-N 2.94Å; V170-A216 HydrophobicContact CG1-CB 4.19Å
171	V	98	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-40.4	-179.2	168.9	0	0	0	0	112.1	P71 P124 H126 L129 Q167 T168 H173 L174 Q175	P71-V171 HydrophobicContact CB-CG1 3.92Å; P71-V171 HydrophobicContact CG-CB 4.49Å; P71-V171 HydrophobicContact CG-CG1 3.89Å; P124-V171 HydrophobicContact CB-CG1 4.17Å; P124-V171 WeakPolarHBondContact O-CG2 3.36Å; H126-V171 HydrophobicContact CB-CG1 4.1Å; H126-V171 HydrophobicContact CB-CG2 4.05Å; L129-V171 HydrophobicContact CD2-CG2 4.35Å; Q167-V171 HydrophobicContact CG-CG2 4.26Å; Q167-V171 WeakPolarHBondContact O-CG2 3.47Å; Q167-V171 PolarHBondContact O-N 3.49Å; T168-V171 PolarHBondContact O-N 3.28Å; V171-H173 VanDerWaalsContact C-N 3.27Å; V171-H173 PolarHBondContact O-N 3.49Å; V171-L174 PolarHBondContact O-N 3.47Å; V171-Q175 WeakPolarHBondContact O-CG 3.28Å; V171-Q175 PolarHBondContact O-N 3.44Å
172	Q	98.2	Very high	97.7	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-54.9	-44.7	173.8	-75.1	168.1	-18.1	0	0	111.5	C68 N69 P71 G98 T168 V170 Q175 N176 A400	C68-Q172 PolarHBondContact O-NE2 3.38Å; N69-Q172 PolarHBondContact O-NE2 3.45Å; P71-Q172 HydrophobicContact CG-CB 4.43Å; P71-Q172 HydrophobicContact CG-CG 3.56Å; G98-Q172 VanDerWaalsContact CA-OE1 3.28Å; T168-Q172 HydrophobicContact CG2-CG 4.42Å; T168-Q172 WeakPolarHBondContact O-CB 3.46Å; T168-Q172 VanDerWaalsContact O-CG 3.23Å; T168-Q172 WeakPolarHBondContact O-CG 3.47Å; T168-Q172 PolarHBondContact O-N 2.77Å; V170-Q172 PolarHBondContact O-N 3.39Å; Q172-Q175 PolarHBondContact O-N 3.34Å; Q172-N176 PolarHBondContact O-N 3.25Å; Q172-A400 HydrophobicContact CB-CB 3.48Å; Q172-A400 VanDerWaalsContact CB-CB 3.48Å; Q172-A400 HydrophobicContact CG-CB 4.16Å
173	H	98.6	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-77.6	-33.2	-179.7	-79.9	-64.7	0	0	0	113.9	I95 R96 G98 G169 V170 V171 Q175 N176 G177 S213 A216 L217 A400	I95-H173 VanDerWaalsContact CD1-CE1 3.49Å; I95-H173 WeakPolarHBondContact CD1-CE1 3.24Å; R96-H173 PolarHBondContact O-CE1 3.32Å; R96-H173 PolarHBondContact O-NE2 3.35Å; R96-H173 VanDerWaalsContact O-NE2 3.12Å; G98-H173 PolarHBondContact N-CD2 2.79Å; G98-H173 PolarHBondContact N-NE2 3.34Å; G169-H173 PolarHBondContact O-CD2 3.07Å; G169-H173 PolarHBondContact O-N 3.49Å; V170-H173 PolarHBondContact O-N 2.98Å; V171-H173 VanDerWaalsContact C-N 3.27Å; V171-H173 PolarHBondContact O-N 3.49Å; H173-Q175 VanDerWaalsContact C-N 3.25Å; H173-Q175 PolarHBondContact O-N 2.79Å; H173-N176 PolarHBondContact O-N 3.36Å; H173-G177 PolarHBondContact O-N 2.95Å; H173-S213 WeakPolarHBondContact CB-O 3.43Å; H173-S213 WeakPolarHBondContact CD2-CB 3.42Å; H173-S213 PolarHBondContact CD2-OG 3.21Å; H173-A216 HydrophobicContact CB-CB 3.72Å; H173-L217 HydrophobicContact CB-CB 4.16Å; H173-L217 WeakPolarHBondContact O-CA 3.04Å; H173-A400 WeakPolarHBondContact NE2-CB 3.49Å
174	L	98.1	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-40.6	169.9	-73.7	171.1	0	0	0	111.4	H126 L129 F132 V170 V171 G177 Q178 A216 Y219	H126-L174 HydrophobicContact CB-CB 4.35Å; H126-L174 HydrophobicContact CB-CD1 3.96Å; L129-L174 HydrophobicContact CB-CD1 4.31Å; L129-L174 HydrophobicContact CD1-CD1 3.94Å; F132-L174 HydrophobicContact CB-CD1 4.48Å; F132-L174 HydrophobicContact CB-CD2 4.1Å; F132-L174 HydrophobicContact CD2-CD2 4.18Å; F132-L174 HydrophobicContact CG-CD2 4.19Å; V170-L174 HydrophobicContact CG1-CD1 3.94Å; V170-L174 HydrophobicContact CG1-CG 4.31Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; V170-L174 PolarHBondContact O-N 2.94Å; V171-L174 PolarHBondContact O-N 3.47Å; L174-G177 PolarHBondContact O-N 3.01Å; L174-Q178 WeakPolarHBondContact O-CB 3.43Å; L174-Q178 PolarHBondContact O-N 2.74Å; L174-A216 WeakPolarHBondContact CD2-O 3.22Å; L174-A216 HydrophobicContact CG-CB 4.43Å; L174-Y219 HydrophobicContact CD2-CD1 3.91Å
175	Q	97.2	Very high	97.9	Very high	76 Å²	76	18.9 Å²	18.9	36%	0.355	9%	0.091	S	C	.	.	H	α-helix	trans	-66.2	-48.2	175.3	-73.1	-178.4	-18	0	0	112.3	V171 Q172 H173 G177 Q178 L179	V171-Q175 WeakPolarHBondContact O-CG 3.28Å; V171-Q175 PolarHBondContact O-N 3.44Å; Q172-Q175 PolarHBondContact O-N 3.34Å; H173-Q175 VanDerWaalsContact C-N 3.25Å; H173-Q175 PolarHBondContact O-N 2.79Å; Q175-G177 VanDerWaalsContact C-N 3.31Å; Q175-G177 PolarHBondContact O-N 2.98Å; Q175-Q178 PolarHBondContact O-N 3.01Å; Q175-L179 WeakPolarHBondContact O-CB 3.39Å; Q175-L179 PolarHBondContact O-N 3.06Å
176	N	97.6	Very high	97.8	Very high	8 Å²	8	24 Å²	24	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-54.4	-50	173.9	-82.6	-26.1	0	0	0	110.5	Q172 H173 Q178 L179 L180 L217 A400 R402	Q172-N176 PolarHBondContact O-N 3.25Å; H173-N176 PolarHBondContact O-N 3.36Å; N176-Q178 PolarHBondContact O-N 3.44Å; N176-L179 PolarHBondContact O-N 3.13Å; N176-L180 VanDerWaalsContact O-CG 3.29Å; N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.32Å; N176-L217 HydrophobicContact CB-CD1 4.04Å; N176-L217 HydrophobicContact CB-CG 4.46Å; N176-A400 PolarHBondContact ND2-O 2.91Å; N176-R402 PolarHBondContact OD1-NH1 3.15Å
177	G	98.3	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-44.7	179.2	0	0	0	0	0	112.9	H173 L174 Q175 L180 R181 L217 G220 F221	H173-G177 PolarHBondContact O-N 2.95Å; L174-G177 PolarHBondContact O-N 3.01Å; Q175-G177 VanDerWaalsContact C-N 3.31Å; Q175-G177 PolarHBondContact O-N 2.98Å; G177-L180 PolarHBondContact O-N 3.16Å; G177-R181 PolarHBondContact O-N 2Å; G177-L217 VanDerWaalsContact CA-O 3.23Å; G177-L217 WeakPolarHBondContact CA-O 3.29Å; G177-G220 CarbonylContact C-O 3.56Å; G177-G220 CarbonylContact O-C 3.38Å; G177-F221 VanDerWaalsContact O-CA 3.28Å; G177-F221 WeakPolarHBondContact O-CA 3.35Å; G177-F221 PolarHBondContact O-N 2.9Å
178	Q	97.3	Very high	97.7	Very high	59 Å²	59	31.6 Å²	31.6	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-41.3	178.6	179.6	148.4	-1.8	0	0	112.5	H126 K128 L174 Q175 N176 R181 D182	H126-Q178 PolarHBondContact CE1-OE1 3.05Å; H126-Q178 PolarHBondContact NE2-OE1 2.76Å; K128-Q178 VanDerWaalsContact CE-OE1 3.31Å; L174-Q178 WeakPolarHBondContact O-CB 3.43Å; L174-Q178 PolarHBondContact O-N 2.74Å; Q175-Q178 PolarHBondContact O-N 3.01Å; N176-Q178 PolarHBondContact O-N 3.44Å; Q178-R181 WeakPolarHBondContact O-CB 3.44Å; Q178-R181 PolarHBondContact O-N 3.16Å; Q178-D182 PolarHBondContact O-N 2.8Å; Q178-D182 VanDerWaalsContact O-N 3.1Å
179	L	96.8	Very high	97.6	Very high	36 Å²	36	37 Å²	37	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-49.1	173.8	178.8	152.6	0	0	0	110.9	Q175 N176 R181 D182 I183	Q175-L179 WeakPolarHBondContact O-CB 3.39Å; Q175-L179 PolarHBondContact O-N 3.06Å; N176-L179 PolarHBondContact O-N 3.13Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 3.07Å; L179-D182 PolarHBondContact O-N 2.62Å; L179-I183 HydrophobicContact CD2-CD1 3.69Å; L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 WeakPolarHBondContact O-CG1 3.44Å; L179-I183 PolarHBondContact O-N 2.85Å
180	L	98.1	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-31.6	179.3	-58.7	-179.6	0	0	0	112.1	E79 V93 N176 G177 I183 Y184 L217 F221 I404	E79-L180 HydrophobicContact CG-CD2 4.27Å; V93-L180 HydrophobicContact CG1-CD1 4.09Å; V93-L180 HydrophobicContact CG2-CD1 4.14Å; N176-L180 VanDerWaalsContact O-CG 3.29Å; N176-L180 WeakPolarHBondContact O-CG 3.31Å; N176-L180 PolarHBondContact O-N 3.32Å; G177-L180 PolarHBondContact O-N 3.16Å; L180-I183 PolarHBondContact O-N 3.05Å; L180-Y184 HydrophobicContact CB-CD2 4.05Å; L180-Y184 HydrophobicContact CB-CE2 4.27Å; L180-Y184 HydrophobicContact CD2-CD2 4.28Å; L180-Y184 HydrophobicContact CD2-CE2 3.63Å; L180-Y184 HydrophobicContact CG-CE2 4.36Å; L180-Y184 WeakPolarHBondContact O-CB 3.49Å; L180-Y184 PolarHBondContact O-N 3.29Å; L180-L217 HydrophobicContact CD1-CD1 4.4Å; L180-L217 HydrophobicContact CD1-CD2 4.35Å; L180-F221 HydrophobicContact CB-CD2 3.8Å; L180-F221 HydrophobicContact CB-CE2 4.16Å; L180-I404 HydrophobicContact CD2-CD1 3.68Å
181	R	97.7	Very high	97.5	Very high	82 Å²	82	38 Å²	38	31%	0.309	17%	0.173	S	C	.	.	I	π-helix	trans	-60.5	-50.5	173.7	-179.4	174	-179.5	177.5	0.1	110.9	G177 Q178 L179 I183 L185 K186 F221	G177-R181 PolarHBondContact O-N 2Å; Q178-R181 WeakPolarHBondContact O-CB 3.44Å; Q178-R181 PolarHBondContact O-N 3.16Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 3.07Å; R181-I183 PolarHBondContact O-N 2.9Å; R181-L185 HydrophobicContact CG-CB 4.41Å; R181-L185 HydrophobicContact CG-CD1 4.31Å; R181-L185 WeakPolarHBondContact O-CA 3.29Å; R181-L185 WeakPolarHBondContact O-CB 3.43Å; R181-L185 PolarHBondContact O-N 2.61Å; R181-K186 PolarHBondContact O-N 3.17Å; R181-F221 HydrophobicContact CB-CD2 4.4Å; R181-F221 WeakPolarHBondContact CB-O 3.21Å; R181-F221 VanDerWaalsContact CD-O 3.28Å; R181-F221 WeakPolarHBondContact CD-O 3.39Å; R181-F221 VanDerWaalsContact CG-O 3.23Å; R181-F221 WeakPolarHBondContact CG-O 3.43Å
182	D	96.8	Very high	97.2	Very high	62 Å²	62	40.6 Å²	40.6	33%	0.332	19%	0.19	S	C	.	.	I	π-helix	trans	-63.6	-33.9	-175.3	-69.7	-20.7	0	0	0	111	Q178 L179 K186 K187	Q178-D182 PolarHBondContact O-N 2.8Å; Q178-D182 VanDerWaalsContact O-N 3.1Å; L179-D182 PolarHBondContact O-N 2.62Å; D182-K186 WeakPolarHBondContact O-CB 3.41Å; D182-K186 WeakPolarHBondContact OD1-CD 3.36Å; D182-K186 WeakPolarHBondContact OD1-CE 3.48Å; D182-K186 IonicContact OD1-NZ 3.62Å; D182-K186 PolarHBondContact OD1-NZ 3.31Å; D182-K187 PolarHBondContact O-N 3.08Å
183	I	97.3	Very high	96.8	Very high	21 Å²	21	48 Å²	48	11%	0.108	23%	0.23	C	C	.	.	I	π-helix	trans	-82.6	-59.8	179.8	-60.6	174.4	0	0	0	111.2	S77 E79 L179 L180 R181 K187 H188	S77-I183 VanDerWaalsContact OG-CD1 3.24Å; S77-I183 WeakPolarHBondContact OG-CD1 3.15Å; E79-I183 HydrophobicContact CB-CD1 3.65Å; E79-I183 HydrophobicContact CB-CG2 4.25Å; E79-I183 WeakPolarHBondContact O-CG2 3.43Å; L179-I183 HydrophobicContact CD2-CD1 3.69Å; L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 WeakPolarHBondContact O-CG1 3.44Å; L179-I183 PolarHBondContact O-N 2.85Å; L180-I183 PolarHBondContact O-N 3.05Å; R181-I183 PolarHBondContact O-N 2.9Å; I183-K187 VanDerWaalsContact O-CB 3.32Å; I183-K187 WeakPolarHBondContact O-CB 3.21Å; I183-K187 PolarHBondContact O-N 3.11Å; I183-H188 PolarHBondContact O-CD2 3.37Å; I183-H188 VanDerWaalsContact O-CD2 3.28Å; I183-H188 PolarHBondContact O-N 2.9Å
184	Y	98.3	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-84.1	-31.8	-168	-56.6	-40.4	0	0	0	113.7	E79 L88 V91 L180 H188 K189 L190 F221 F372 E406	E79-Y184 HydrophobicContact CB-CE1 4.41Å; E79-Y184 WeakPolarHBondContact CB-OH 3.35Å; E79-Y184 WeakPolarHBondContact CG-OH 3.46Å; L88-Y184 HydrophobicContact CD2-CD1 3.41Å; L88-Y184 VanDerWaalsContact CD2-CD1 3.41Å; L88-Y184 HydrophobicContact CD2-CE1 3.88Å; L88-Y184 HydrophobicContact CD2-CG 4.28Å; V91-Y184 HydrophobicContact CB-CE2 4.41Å; V91-Y184 HydrophobicContact CG1-CD2 4.14Å; V91-Y184 HydrophobicContact CG1-CE2 3.58Å; V91-Y184 HydrophobicContact CG2-CD1 4.14Å; V91-Y184 HydrophobicContact CG2-CD2 4.26Å; V91-Y184 HydrophobicContact CG2-CE1 4.06Å; V91-Y184 HydrophobicContact CG2-CE2 4.15Å; V91-Y184 HydrophobicContact CG2-CG 4.25Å; L180-Y184 HydrophobicContact CB-CD2 4.05Å; L180-Y184 HydrophobicContact CB-CE2 4.27Å; L180-Y184 HydrophobicContact CD2-CD2 4.28Å; L180-Y184 HydrophobicContact CD2-CE2 3.63Å; L180-Y184 HydrophobicContact CG-CE2 4.36Å; L180-Y184 WeakPolarHBondContact O-CB 3.49Å; L180-Y184 PolarHBondContact O-N 3.29Å; Y184-H188 CarbonylContact O-C 3.59Å; Y184-K189 PolarHBondContact O-N 2.9Å; Y184-K189 VanDerWaalsContact O-N 3.11Å; Y184-L190 VanDerWaalsContact O-CB 3.3Å; Y184-L190 WeakPolarHBondContact O-CB 3.46Å; Y184-L190 PolarHBondContact O-N 3.27Å; Y184-F221 HydrophobicContact CD2-CE2 4.37Å; Y184-F372 HydrophobicContact CD2-CE2 4.36Å; Y184-E406 VanDerWaalsContact CE1-OE1 3.24Å; Y184-E406 WeakPolarHBondContact CE1-OE1 3.42Å; Y184-E406 PolarHBondContact OH-OE1 3.4Å
185	L	97.7	Very high	96.4	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.131	27%	0.269	C	S	.	.	I	π-helix	trans	-95	-46	179.4	-55.9	-172.3	0	0	0	112.2	R181 K189 L191 F221 L222	R181-L185 HydrophobicContact CG-CB 4.41Å; R181-L185 HydrophobicContact CG-CD1 4.31Å; R181-L185 WeakPolarHBondContact O-CA 3.29Å; R181-L185 WeakPolarHBondContact O-CB 3.43Å; R181-L185 PolarHBondContact O-N 2.61Å; L185-K189 WeakPolarHBondContact O-CD 2.97Å; L185-K189 PolarHBondContact O-N 2.86Å; L185-L191 HydrophobicContact CD2-CB 3.8Å; L185-L191 HydrophobicContact CD2-CD1 4.07Å; L185-L191 HydrophobicContact CD2-CG 3.93Å; L185-F221 HydrophobicContact CD1-CD2 4.42Å; L185-F221 HydrophobicContact CD1-CE1 4.18Å; L185-F221 HydrophobicContact CD1-CE2 4.09Å; L185-F221 HydrophobicContact CD1-CZ 3.96Å; L185-F221 WeakPolarHBondContact CD1-O 3.49Å; L185-F221 HydrophobicContact CD2-CE1 4.3Å; L185-F221 HydrophobicContact CD2-CE2 4.2Å; L185-F221 HydrophobicContact CD2-CZ 3.65Å; L185-F221 HydrophobicContact CG-CD2 4.48Å; L185-F221 HydrophobicContact CG-CE1 4.39Å; L185-F221 HydrophobicContact CG-CE2 3.76Å; L185-F221 HydrophobicContact CG-CZ 3.7Å; L185-L222 HydrophobicContact CD1-CD2 3.39Å; L185-L222 HydrophobicContact CD1-CG 4.14Å
186	K	96.9	Very high	96.3	Very high	108 Å²	108	54.6 Å²	54.6	47%	0.47	27%	0.27	S	S	.	.	I	π-helix	trans	-76.9	-50	-177.3	-61.3	-175.1	-175.9	163.2	0	112.2	R181 D182 K189	R181-K186 PolarHBondContact O-N 3.17Å; D182-K186 WeakPolarHBondContact O-CB 3.41Å; D182-K186 WeakPolarHBondContact OD1-CD 3.36Å; D182-K186 WeakPolarHBondContact OD1-CE 3.48Å; D182-K186 IonicContact OD1-NZ 3.62Å; D182-K186 PolarHBondContact OD1-NZ 3.31Å; K186-K189 WeakPolarHBondContact O-CE 3.48Å; K186-K189 PolarHBondContact O-NZ 3.49Å
187	K	96.2	Very high	96.1	Very high	117 Å²	117	56.4 Å²	56.4	51%	0.509	29%	0.286	S	S	.	.	I	π-helix	trans	-80.6	-48.8	-178.2	177	-171.9	-177.7	-169.7	0	112.8	G80 D182 I183	G80-K187 PolarHBondContact O-NZ 2.91Å; D182-K187 PolarHBondContact O-N 3.08Å; I183-K187 VanDerWaalsContact O-CB 3.32Å; I183-K187 WeakPolarHBondContact O-CB 3.21Å; I183-K187 PolarHBondContact O-N 3.11Å
188	H	97.3	Very high	96	Very high	49 Å²	49	60.2 Å²	60.2	23%	0.227	31%	0.306	C	S	.	.	S	Bend	trans	-95.5	-14.6	-172.5	-74.7	-68.9	0	0	0	116.3	G80 L88 I183 Y184 L190 W408	G80-H188 WeakPolarHBondContact CA-NE2 3.02Å; G80-H188 PolarHBondContact O-CE1 3.3Å; G80-H188 PolarHBondContact O-NE2 3.23Å; L88-H188 HydrophobicContact CB-CB 4.25Å; L88-H188 HydrophobicContact CD2-CB 3.86Å; I183-H188 PolarHBondContact O-CD2 3.37Å; I183-H188 VanDerWaalsContact O-CD2 3.28Å; I183-H188 PolarHBondContact O-N 2.9Å; Y184-H188 CarbonylContact O-C 3.59Å; H188-L190 PolarHBondContact O-N 3.48Å; H188-W408 AromaticContact CE1-CH2 3.47Å; H188-W408 VanDerWaalsContact CE1-CH2 3.47Å; H188-W408 WeakPolarHBondContact CE1-CH2 3.02Å; H188-W408 AromaticContact CE1-CZ3 3.73Å; H188-W408 AromaticContact NE2-CH2 3.73Å
189	K	97.1	Very high	96	Very high	131 Å²	131	58 Å²	58	57%	0.57	30%	0.296	S	S	*	.			trans	53.2	39.7	-177.4	-51.2	-68.8	169.7	-162.8	0	112.1	Y184 L185 K186 L191	Y184-K189 PolarHBondContact O-N 2.9Å; Y184-K189 VanDerWaalsContact O-N 3.11Å; L185-K189 WeakPolarHBondContact O-CD 2.97Å; L185-K189 PolarHBondContact O-N 2.86Å; K186-K189 WeakPolarHBondContact O-CE 3.48Å; K186-K189 PolarHBondContact O-NZ 3.49Å; K189-L191 PolarHBondContact O-N 3.42Å
190	L	97.6	Very high	96.1	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	29%	0.289	C	S	.	.			trans	-55.3	-42.7	-178.1	179.3	67.4	0	0	0	111.3	L88 V89 V91 Y184 H188 F372	L88-L190 HydrophobicContact CD2-CD1 4.28Å; L88-L190 HydrophobicContact CG-CD1 4.23Å; V89-L190 WeakPolarHBondContact O-CD1 3.5Å; V91-L190 HydrophobicContact CB-CD2 3.98Å; V91-L190 HydrophobicContact CG2-CD2 3.67Å; Y184-L190 VanDerWaalsContact O-CB 3.3Å; Y184-L190 WeakPolarHBondContact O-CB 3.46Å; Y184-L190 PolarHBondContact O-N 3.27Å; H188-L190 PolarHBondContact O-N 3.48Å; L190-F372 HydrophobicContact CD2-CB 4.31Å; L190-F372 HydrophobicContact CD2-CD2 4.26Å
191	L	96.3	Very high	96.1	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-105	139.9	170.1	-58.7	179.1	0	0	0	109.5	L185 K189 W195 Q199 F221 L222 L371	L185-L191 HydrophobicContact CD2-CB 3.8Å; L185-L191 HydrophobicContact CD2-CD1 4.07Å; L185-L191 HydrophobicContact CD2-CG 3.93Å; K189-L191 PolarHBondContact O-N 3.42Å; L191-W195 HydrophobicContact CB-CB 4.08Å; L191-Q199 HydrophobicContact CD2-CB 3.85Å; L191-F221 HydrophobicContact CD1-CE1 4.26Å; L191-L222 HydrophobicContact CD1-CD1 4.37Å; L191-L371 HydrophobicContact CD2-CB 4.06Å; L191-L371 HydrophobicContact CD2-CD1 4.34Å
192	P	91.9	Very high	96.1	Very high	55 Å²	55	53.4 Å²	53.4	36%	0.357	28%	0.277	S	S	.	.			trans	-69.5	165.7	171.4	32.9	-35.6	0	0	0	110.8	D194 W195	P192-D194 WeakPolarHBondContact CB-OD1 3.49Å; P192-D194 PolarHBondContact O-N 3.47Å; P192-W195 HydrophobicContact CG-CB 4.21Å; P192-W195 WeakPolarHBondContact O-CB 3.23Å; P192-W195 PolarHBondContact O-N 3.01Å
193	N	90.2	Very high	96.1	Very high	159 Å²	159	50.8 Å²	50.8	85%	0.85	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.7	-178.9	-70.6	-23.5	0	0	0	112.1
194	D	91.9	Very high	96.1	Very high	133 Å²	133	49.8 Å²	49.8	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	28.4	-179.2	62.3	-29.5	0	0	0	113	P192	P192-D194 WeakPolarHBondContact CB-OD1 3.49Å; P192-D194 PolarHBondContact O-N 3.47Å
195	W	95.1	Very high	96.1	Very high	27 Å²	27	50.1 Å²	50.1	10%	0.102	26%	0.259	C	S	.	.			trans	-47.2	146.8	-176.8	66.3	-88.4	0	0	0	114.6	L191 P192 Q199 L222 K229 I230	L191-W195 HydrophobicContact CB-CB 4.08Å; P192-W195 HydrophobicContact CG-CB 4.21Å; P192-W195 WeakPolarHBondContact O-CB 3.23Å; P192-W195 PolarHBondContact O-N 3.01Å; W195-Q199 VanDerWaalsContact CB-OE1 3.23Å; W195-L222 HydrophobicContact CH2-CD1 4.49Å; W195-L222 HydrophobicContact CZ2-CD1 4.14Å; W195-K229 HydrophobicContact CE3-CD 4.23Å; W195-K229 HydrophobicContact CH2-CB 3.56Å; W195-K229 HydrophobicContact CH2-CD 3.63Å; W195-K229 HydrophobicContact CH2-CG 4.26Å; W195-K229 HydrophobicContact CZ2-CD 4.07Å; W195-K229 HydrophobicContact CZ3-CB 3.72Å; W195-K229 HydrophobicContact CZ3-CD 3.73Å; W195-K229 HydrophobicContact CZ3-CG 4.35Å; W195-K229 PolarHBondContact O-NZ 3.44Å; W195-I230 HydrophobicContact CH2-CD1 4.24Å
196	S	95.3	Very high	96	Very high	53 Å²	53	50 Å²	50	37%	0.371	27%	0.265	S	S	.	.			trans	-105.5	157.2	-179.9	50.4	0	0	0	0	112.4	D198 Q199	S196-D198 WeakPolarHBondContact CB-OD1 3.39Å; S196-D198 PolarHBondContact O-N 3.38Å; S196-D198 PolarHBondContact OG-OD1 3.04Å; S196-Q199 VanDerWaalsContact N-OE1 3.13Å; S196-Q199 WeakPolarHBondContact O-CB 3.27Å; S196-Q199 WeakPolarHBondContact O-CG 3.41Å; S196-Q199 PolarHBondContact O-N 3.33Å; S196-Q199 WeakPolarHBondContact OG-CG 3.33Å
197	A	94.8	Very high	96	Very high	46 Å²	46	50.1 Å²	50.1	38%	0.38	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.8	-172.3	0	0	0	0	0	114	Q199 L200 K229	A197-Q199 VanDerWaalsContact C-N 3.26Å; A197-Q199 PolarHBondContact O-N 2.9Å; A197-L200 PolarHBondContact O-N 3.35Å; A197-K229 HydrophobicContact CB-CB 4.02Å; A197-K229 HydrophobicContact CB-CG 4.4Å
198	D	96.3	Very high	96	Very high	80 Å²	80	46 Å²	46	43%	0.428	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.5	-22.3	176.2	62.7	-30.2	0	0	0	113.3	S196 L200 E369 E370	S196-D198 WeakPolarHBondContact CB-OD1 3.39Å; S196-D198 PolarHBondContact O-N 3.38Å; S196-D198 PolarHBondContact OG-OD1 3.04Å; D198-L200 PolarHBondContact O-N 3.41Å; D198-E369 HydrophobicContact CB-CG 4.29Å; D198-E369 CarbonylContact O-C 3.56Å; D198-E369 WeakPolarHBondContact O-CA 3.33Å; D198-E370 PolarHBondContact O-N 2.95Å
199	Q	97.4	Very high	96.1	Very high	12 Å²	12	45 Å²	45	6%	0.056	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-75.3	-9.4	176.3	-47.4	-166.1	-83.4	0	0	112.9	L191 W195 S196 A197 K368 E370 L371 F372	L191-Q199 HydrophobicContact CD2-CB 3.85Å; W195-Q199 VanDerWaalsContact CB-OE1 3.23Å; S196-Q199 VanDerWaalsContact N-OE1 3.13Å; S196-Q199 WeakPolarHBondContact O-CB 3.27Å; S196-Q199 WeakPolarHBondContact O-CG 3.41Å; S196-Q199 PolarHBondContact O-N 3.33Å; S196-Q199 WeakPolarHBondContact OG-CG 3.33Å; A197-Q199 VanDerWaalsContact C-N 3.26Å; A197-Q199 PolarHBondContact O-N 2.9Å; Q199-K368 WeakPolarHBondContact CG-O 3.27Å; Q199-K368 PolarHBondContact NE2-O 3.3Å; Q199-E370 CarbonylContact O-C 3.5Å; Q199-L371 PolarHBondContact O-N 2.94Å; Q199-F372 PolarHBondContact O-N 3.3Å
200	L	97.3	Very high	96.1	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.9	-177.6	-167.4	74.3	0	0	0	110.3	A197 D198 L202 L218 L222 I230 F372	A197-L200 PolarHBondContact O-N 3.35Å; D198-L200 PolarHBondContact O-N 3.41Å; L200-L202 HydrophobicContact CD1-CD2 4.04Å; L200-L202 HydrophobicContact CD2-CD1 3.64Å; L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CD2-CG 3.79Å; L200-L202 HydrophobicContact CG-CD1 4.27Å; L200-L202 HydrophobicContact CG-CD2 3.75Å; L200-L202 HydrophobicContact CG-CG 3.84Å; L200-L218 HydrophobicContact CD1-CD1 4.49Å; L200-L218 HydrophobicContact CD2-CD1 4.2Å; L200-L222 HydrophobicContact CD1-CD1 4.43Å; L200-I230 HydrophobicContact CD2-CD1 3.81Å; L200-F372 HydrophobicContact CD1-CB 4.26Å; L200-F372 HydrophobicContact CD1-CD1 3.61Å; L200-F372 HydrophobicContact CD1-CE1 4.44Å; L200-F372 HydrophobicContact CD1-CG 4.36Å
201	Y	97.9	Very high	96.2	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.2	170.4	-175.8	-90.7	0	0	0	109.9	E203 R359 E370 F372 A373 L374 Y375	Y201-E203 HydrophobicContact CD1-CB 4.42Å; Y201-E203 HydrophobicContact CE1-CB 3.58Å; Y201-E203 HydrophobicContact CE1-CG 4.45Å; Y201-E203 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E203 VanDerWaalsContact CZ-OE2 3.3Å; Y201-E203 PolarHBondContact OH-OE2 3.07Å; Y201-R359 PolarHBondContact OH-NH2 2.88Å; Y201-E370 HydrophobicContact CD2-CG 4.33Å; Y201-E370 WeakPolarHBondContact CD2-OE1 3.42Å; Y201-F372 PolarHBondContact N-O 3.5Å; Y201-A373 HydrophobicContact CD1-CB 4.13Å; Y201-A373 HydrophobicContact CG-CB 4.45Å; Y201-A373 CarbonylContact O-C 3.58Å; Y201-A373 VanDerWaalsContact O-CA 3.28Å; Y201-A373 WeakPolarHBondContact O-CA 3.49Å; Y201-L374 PolarHBondContact O-N 2.57Å; Y201-Y375 HydrophobicContact CD1-CE1 4.04Å; Y201-Y375 HydrophobicContact CE1-CD1 4.11Å; Y201-Y375 AromaticContact CE1-CE1 3.51Å; Y201-Y375 HydrophobicContact CE1-CE1 3.51Å
202	L	98	Very high	96.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	178.7	-51.2	174.2	0	0	0	109.3	L200 L218 I230 F232 R233 L374	L200-L202 HydrophobicContact CD1-CD2 4.04Å; L200-L202 HydrophobicContact CD2-CD1 3.64Å; L200-L202 HydrophobicContact CD2-CD2 3.87Å; L200-L202 HydrophobicContact CD2-CG 3.79Å; L200-L202 HydrophobicContact CG-CD1 4.27Å; L200-L202 HydrophobicContact CG-CD2 3.75Å; L200-L202 HydrophobicContact CG-CG 3.84Å; L202-L218 HydrophobicContact CD1-CD2 3.75Å; L202-L218 HydrophobicContact CD2-CD1 4.3Å; L202-L218 HydrophobicContact CD2-CD2 4.47Å; L202-I230 HydrophobicContact CD1-CG2 3.73Å; L202-F232 HydrophobicContact CB-CD1 3.8Å; L202-F232 HydrophobicContact CB-CD2 4.23Å; L202-F232 HydrophobicContact CB-CE1 3.88Å; L202-F232 HydrophobicContact CB-CE2 4.3Å; L202-F232 HydrophobicContact CB-CG 3.99Å; L202-F232 HydrophobicContact CB-CZ 4.14Å; L202-F232 HydrophobicContact CD1-CD2 3.86Å; L202-F232 HydrophobicContact CD1-CE2 3.61Å; L202-F232 HydrophobicContact CD1-CG 4.45Å; L202-F232 HydrophobicContact CD1-CZ 3.99Å; L202-F232 HydrophobicContact CG-CE2 4.49Å; L202-F232 HydrophobicContact CG-CZ 4.46Å; L202-R233 WeakPolarHBondContact O-CB 3.19Å; L202-R233 PolarHBondContact O-N 3.44Å; L202-L374 HydrophobicContact CD2-CB 3.85Å; L202-L374 HydrophobicContact CD2-CD2 4.22Å
203	E	97.6	Very high	96.6	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138	179.4	-171.6	178.1	176.7	0	0	110.5	Y201 R233 Q235 F240 L374 Y375 S376	Y201-E203 HydrophobicContact CD1-CB 4.42Å; Y201-E203 HydrophobicContact CE1-CB 3.58Å; Y201-E203 HydrophobicContact CE1-CG 4.45Å; Y201-E203 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E203 VanDerWaalsContact CZ-OE2 3.3Å; Y201-E203 PolarHBondContact OH-OE2 3.07Å; E203-R233 WeakPolarHBondContact CA-O 3.44Å; E203-R233 HydrophobicContact CB-CB 4.25Å; E203-R233 HydrophobicContact CG-CB 4.1Å; E203-Q235 HydrophobicContact CG-CB 3.93Å; E203-Q235 WeakPolarHBondContact OE1-CB 3.49Å; E203-Q235 PolarHBondContact OE1-NE2 3.23Å; E203-F240 HydrophobicContact CB-CE1 4.31Å; E203-F240 HydrophobicContact CG-CD1 4.21Å; E203-F240 HydrophobicContact CG-CE1 3.81Å; E203-L374 PolarHBondContact N-O 2.82Å; E203-Y375 HydrophobicContact CB-CD1 4.14Å; E203-Y375 WeakPolarHBondContact O-CA 3.4Å; E203-Y375 WeakPolarHBondContact OE2-CE1 3.4Å; E203-S376 PolarHBondContact O-N 3.19Å
204	T	97.9	Very high	97	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.9	178.3	-167.5	0	0	0	0	112.2	L148 T210 L211 F232 R233 Q235 S376	L148-T204 HydrophobicContact CD1-CG2 3.69Å; L148-T204 HydrophobicContact CD2-CG2 3.82Å; L148-T204 HydrophobicContact CG-CG2 4.43Å; T204-T210 VanDerWaalsContact OG1-CB 3.28Å; T204-T210 WeakPolarHBondContact OG1-CB 3.09Å; T204-T210 PolarHBondContact OG1-OG1 3.19Å; T204-L211 HydrophobicContact CG2-CB 4.24Å; T204-L211 HydrophobicContact CG2-CD1 3.99Å; T204-F232 HydrophobicContact CG2-CD1 3.78Å; T204-F232 HydrophobicContact CG2-CE1 4.44Å; T204-R233 PolarHBondContact N-O 3.41Å; T204-Q235 PolarHBondContact O-N 2.81Å; T204-S376 WeakPolarHBondContact CA-O 3.46Å; T204-S376 PolarHBondContact OG1-O 3.45Å
205	T	97.1	Very high	97.3	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	159.8	170.9	67.4	0	0	0	0	112.5	K207 T210 Q235 F240 H378	T205-K207 PolarHBondContact O-N 3.43Å; T205-T210 PolarHBondContact O-OG1 3Å; T205-T210 PolarHBondContact OG1-OG1 3.14Å; T205-Q235 VanDerWaalsContact CA-O 3.31Å; T205-Q235 WeakPolarHBondContact CA-O 3.37Å; T205-F240 HydrophobicContact CG2-CE2 3.72Å; T205-F240 HydrophobicContact CG2-CZ 4.09Å; T205-H378 WeakPolarHBondContact CG2-NE2 3.41Å; T205-H378 PolarHBondContact OG1-NE2 3.1Å
206	G	95.5	Very high	97.5	Very high	24 Å²	24	20 Å²	20	25%	0.247	12%	0.117	C	C	.	.	S	Bend	trans	-68.4	32.3	177.7	0	0	0	0	0	116.5	H234	G206-H234 PolarHBondContact N-CD2 3.05Å; G206-H234 PolarHBondContact N-NE2 3.12Å
207	K	97	Very high	97.7	Very high	110 Å²	110	17.4 Å²	17.4	48%	0.478	10%	0.099	S	C	.	.			trans	-107.9	133.9	174.9	-59.9	-56.8	-179.7	-170.1	0	109.7	T205 R209 T210 L211	T205-K207 PolarHBondContact O-N 3.43Å; K207-R209 VanDerWaalsContact C-N 3.31Å; K207-R209 HydrophobicContact CB-CG 4.21Å; K207-R209 PolarHBondContact O-N 2.92Å; K207-T210 HydrophobicContact CB-CG2 4.44Å; K207-T210 PolarHBondContact O-N 3Å; K207-T210 PolarHBondContact O-OG1 3.47Å; K207-L211 PolarHBondContact O-N 3.47Å; K207-L211 VanDerWaalsContact O-N 3.14Å
208	S	97.1	Very high	97.8	Very high	31 Å²	31	15.2 Å²	15.2	22%	0.217	8%	0.081	C	C	.	.	H	α-helix	trans	-51.7	-49.4	178.9	53.6	0	0	0	0	111.8	T210 L211 Q212	S208-T210 VanDerWaalsContact C-N 3.27Å; S208-T210 PolarHBondContact O-N 3.07Å; S208-L211 PolarHBondContact O-N 3.27Å; S208-Q212 WeakPolarHBondContact O-CB 3.29Å; S208-Q212 WeakPolarHBondContact O-CG 3.38Å; S208-Q212 PolarHBondContact O-N 3.41Å
209	R	98.3	Very high	97.9	Very high	26 Å²	26	11.7 Å²	11.7	10%	0.098	6%	0.062	C	C	.	.	H	α-helix	trans	-56.8	-32.6	178.2	62.1	173.6	173.1	-78	-1.2	114.8	H97 G163 L165 K207 S213	H97-R209 HydrophobicContact CB-CG 4.49Å; H97-R209 PolarHBondContact NE2-NE 2.75Å; G163-R209 VanDerWaalsContact O-CD 3.32Å; G163-R209 WeakPolarHBondContact O-CD 3.16Å; G163-R209 PolarHBondContact O-NH1 3.33Å; L165-R209 HydrophobicContact CB-CB 4.1Å; L165-R209 HydrophobicContact CD1-CB 4.22Å; K207-R209 VanDerWaalsContact C-N 3.31Å; K207-R209 HydrophobicContact CB-CG 4.21Å; K207-R209 PolarHBondContact O-N 2.92Å; R209-S213 WeakPolarHBondContact O-CB 3.38Å; R209-S213 PolarHBondContact O-N 3.19Å; R209-S213 VanDerWaalsContact O-N 3.11Å; R209-S213 PolarHBondContact O-OG 2.83Å
210	T	98.6	Very high	98	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-79.1	-43.3	178.2	53.6	0	0	0	0	110.9	H97 T204 T205 K207 S208 S213 G214 S376 A377 H378	H97-T210 HydrophobicContact CB-CG2 4.1Å; T204-T210 VanDerWaalsContact OG1-CB 3.28Å; T204-T210 WeakPolarHBondContact OG1-CB 3.09Å; T204-T210 PolarHBondContact OG1-OG1 3.19Å; T205-T210 PolarHBondContact O-OG1 3Å; T205-T210 PolarHBondContact OG1-OG1 3.14Å; K207-T210 HydrophobicContact CB-CG2 4.44Å; K207-T210 PolarHBondContact O-N 3Å; K207-T210 PolarHBondContact O-OG1 3.47Å; S208-T210 VanDerWaalsContact C-N 3.27Å; S208-T210 PolarHBondContact O-N 3.07Å; T210-S213 PolarHBondContact O-N 2.68Å; T210-G214 PolarHBondContact O-N 2.94Å; T210-S376 WeakPolarHBondContact O-CB 3.07Å; T210-S376 PolarHBondContact O-OG 3.43Å; T210-A377 WeakPolarHBondContact CG2-O 3.26Å; T210-H378 WeakPolarHBondContact CG2-CE1 3.47Å
211	L	98.1	Very high	98	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-50.4	174.1	177.1	62.5	0	0	0	111.3	F144 L148 L151 T204 K207 S208 S213 G214 L215 F232	F144-L211 HydrophobicContact CD2-CD2 4.41Å; F144-L211 HydrophobicContact CE2-CD1 4.2Å; F144-L211 HydrophobicContact CE2-CD2 4.12Å; F144-L211 HydrophobicContact CZ-CD1 4.41Å; L148-L211 HydrophobicContact CB-CD2 4.46Å; L151-L211 HydrophobicContact CB-CD2 3.78Å; L151-L211 HydrophobicContact CD1-CD2 4.19Å; T204-L211 HydrophobicContact CG2-CB 4.24Å; T204-L211 HydrophobicContact CG2-CD1 3.99Å; K207-L211 PolarHBondContact O-N 3.47Å; K207-L211 VanDerWaalsContact O-N 3.14Å; S208-L211 PolarHBondContact O-N 3.27Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.04Å; L211-G214 PolarHBondContact O-N 2.6Å; L211-G214 VanDerWaalsContact O-N 3.13Å; L211-L215 HydrophobicContact CD1-CD1 4.13Å; L211-L215 HydrophobicContact CD1-CG 4.31Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 WeakPolarHBondContact O-CG 3.24Å; L211-L215 PolarHBondContact O-N 3Å; L211-F232 HydrophobicContact CD1-CB 4.4Å; L211-F232 HydrophobicContact CD1-CD1 4.15Å; L211-F232 HydrophobicContact CD1-CD2 4.25Å; L211-F232 HydrophobicContact CD1-CE1 4.49Å; L211-F232 HydrophobicContact CD1-CG 4.01Å
212	Q	98.5	Very high	98	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-62.7	-39.1	-179.7	-67.1	169	-7.8	0	0	112.3	P152 Y154 L165 S208 L215 A216	P152-Q212 WeakPolarHBondContact O-CG 3.49Å; P152-Q212 PolarHBondContact O-NE2 3.14Å; Y154-Q212 PolarHBondContact O-NE2 2.6Å; L165-Q212 HydrophobicContact CD2-CB 3.7Å; S208-Q212 WeakPolarHBondContact O-CB 3.29Å; S208-Q212 WeakPolarHBondContact O-CG 3.38Å; S208-Q212 PolarHBondContact O-N 3.41Å; Q212-L215 PolarHBondContact O-N 2.76Å; Q212-A216 WeakPolarHBondContact O-CB 3.21Å; Q212-A216 PolarHBondContact O-N 2.89Å
213	S	98.9	Very high	97.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-41.5	173.5	-67	0	0	0	0	112	H97 G98 L165 H173 R209 T210 L211 A216 L217	H97-S213 WeakPolarHBondContact CA-OG 3.37Å; H97-S213 WeakPolarHBondContact CB-OG 3.3Å; G98-S213 PolarHBondContact N-OG 3.21Å; L165-S213 WeakPolarHBondContact CD1-OG 3.23Å; H173-S213 WeakPolarHBondContact CB-O 3.43Å; H173-S213 WeakPolarHBondContact CD2-CB 3.42Å; H173-S213 PolarHBondContact CD2-OG 3.21Å; R209-S213 WeakPolarHBondContact O-CB 3.38Å; R209-S213 PolarHBondContact O-N 3.19Å; R209-S213 VanDerWaalsContact O-N 3.11Å; R209-S213 PolarHBondContact O-OG 2.83Å; T210-S213 PolarHBondContact O-N 2.68Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.04Å; S213-A216 PolarHBondContact O-N 2.57Å; S213-L217 PolarHBondContact O-N 3.04Å
214	G	98.7	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-43.7	175.9	0	0	0	0	0	112	T210 L211 L217 L218 S376	T210-G214 PolarHBondContact O-N 2.94Å; L211-G214 PolarHBondContact O-N 2.6Å; L211-G214 VanDerWaalsContact O-N 3.13Å; G214-L217 PolarHBondContact O-N 3.24Å; G214-L218 VanDerWaalsContact O-CB 3.26Å; G214-L218 WeakPolarHBondContact O-CB 3.37Å; G214-L218 PolarHBondContact O-N 2.82Å; G214-S376 PolarHBondContact N-OG 2.79Å
215	L	98.4	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176	-72.8	169	0	0	0	112.5	M136 F144 L153 L211 Q212 L218 Y219 F225 W227 F232	M136-L215 HydrophobicContact CE-CB 4.43Å; M136-L215 HydrophobicContact SD-CB 4.05Å; M136-L215 HydrophobicContact SD-CD1 4.22Å; M136-L215 HydrophobicContact SD-CD2 4.25Å; M136-L215 HydrophobicContact SD-CG 4.42Å; F144-L215 HydrophobicContact CZ-CD2 4.29Å; L153-L215 HydrophobicContact CB-CD1 4.09Å; L153-L215 HydrophobicContact CD2-CD1 3.89Å; L211-L215 HydrophobicContact CD1-CD1 4.13Å; L211-L215 HydrophobicContact CD1-CG 4.31Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 WeakPolarHBondContact O-CG 3.24Å; L211-L215 PolarHBondContact O-N 3Å; Q212-L215 PolarHBondContact O-N 2.76Å; L215-L218 PolarHBondContact O-N 3.43Å; L215-Y219 WeakPolarHBondContact O-CB 3.49Å; L215-Y219 PolarHBondContact O-N 2.8Å; L215-F225 HydrophobicContact CD2-CZ 4.49Å; L215-W227 HydrophobicContact CD2-CH2 3.97Å; L215-W227 HydrophobicContact CD2-CZ3 4.11Å; L215-F232 HydrophobicContact CD2-CD2 4.4Å; L215-F232 HydrophobicContact CD2-CE2 3.66Å; L215-F232 HydrophobicContact CD2-CZ 4.31Å; L215-F232 HydrophobicContact CG-CE2 4.21Å; L215-F232 HydrophobicContact CG-CZ 4.47Å
216	A	98.8	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-43.5	175.6	0	0	0	0	0	111.7	F132 V170 H173 L174 Q212 S213 G220	F132-A216 HydrophobicContact CE2-CB 4.04Å; F132-A216 HydrophobicContact CZ-CB 4.1Å; V170-A216 HydrophobicContact CG1-CB 4.19Å; H173-A216 HydrophobicContact CB-CB 3.72Å; L174-A216 WeakPolarHBondContact CD2-O 3.22Å; L174-A216 HydrophobicContact CG-CB 4.43Å; Q212-A216 WeakPolarHBondContact O-CB 3.21Å; Q212-A216 PolarHBondContact O-N 2.89Å; S213-A216 PolarHBondContact O-N 2.57Å; A216-G220 PolarHBondContact O-N 2.85Å
217	L	98.9	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-47.9	174.2	-173.8	155.5	0	0	0	111	I95 H173 N176 G177 L180 S213 G214 Y219 G220 F221 F372 L374	I95-L217 HydrophobicContact CD1-CB 4.48Å; I95-L217 HydrophobicContact CD1-CD1 4.08Å; I95-L217 HydrophobicContact CG2-CD1 3.66Å; H173-L217 HydrophobicContact CB-CB 4.16Å; H173-L217 WeakPolarHBondContact O-CA 3.04Å; N176-L217 HydrophobicContact CB-CD1 4.04Å; N176-L217 HydrophobicContact CB-CG 4.46Å; G177-L217 VanDerWaalsContact CA-O 3.23Å; G177-L217 WeakPolarHBondContact CA-O 3.29Å; L180-L217 HydrophobicContact CD1-CD1 4.4Å; L180-L217 HydrophobicContact CD1-CD2 4.35Å; S213-L217 PolarHBondContact O-N 3.04Å; G214-L217 PolarHBondContact O-N 3.24Å; L217-Y219 VanDerWaalsContact C-N 3.31Å; L217-Y219 PolarHBondContact O-N 2.84Å; L217-G220 WeakPolarHBondContact O-CA 3.43Å; L217-G220 PolarHBondContact O-N 2.81Å; L217-G220 VanDerWaalsContact O-N 3.09Å; L217-F221 HydrophobicContact CD2-CB 4.47Å; L217-F221 WeakPolarHBondContact O-CB 3.32Å; L217-F221 PolarHBondContact O-N 2.58Å; L217-F372 HydrophobicContact CD2-CZ 4.49Å; L217-L374 HydrophobicContact CD1-CD1 4.15Å; L217-L374 HydrophobicContact CD2-CD1 4.02Å; L217-L374 HydrophobicContact CD2-CD2 4.02Å
218	L	98.6	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-42.4	-179.7	-177.6	63.4	0	0	0	111.5	L200 L202 G214 L215 G220 F221 L222 F225 I230 F232	L200-L218 HydrophobicContact CD1-CD1 4.49Å; L200-L218 HydrophobicContact CD2-CD1 4.2Å; L202-L218 HydrophobicContact CD1-CD2 3.75Å; L202-L218 HydrophobicContact CD2-CD1 4.3Å; L202-L218 HydrophobicContact CD2-CD2 4.47Å; G214-L218 VanDerWaalsContact O-CB 3.26Å; G214-L218 WeakPolarHBondContact O-CB 3.37Å; G214-L218 PolarHBondContact O-N 2.82Å; L215-L218 PolarHBondContact O-N 3.43Å; L218-G220 VanDerWaalsContact C-N 3.35Å; L218-G220 PolarHBondContact O-N 2.84Å; L218-F221 PolarHBondContact O-N 2.75Å; L218-F221 VanDerWaalsContact O-N 3.16Å; L218-L222 HydrophobicContact CD1-CD1 4.06Å; L218-L222 PolarHBondContact O-N 3.46Å; L218-F225 HydrophobicContact CB-CE1 4.32Å; L218-F225 HydrophobicContact CD2-CD1 4.11Å; L218-F225 HydrophobicContact CD2-CE1 3.77Å; L218-F225 HydrophobicContact CD2-CZ 4.12Å; L218-F225 HydrophobicContact CG-CD1 3.87Å; L218-F225 HydrophobicContact CG-CE1 3.71Å; L218-I230 HydrophobicContact CD2-CD1 3.97Å; L218-I230 HydrophobicContact CD2-CG1 4.36Å; L218-I230 HydrophobicContact CD2-CG2 4.09Å; L218-F232 HydrophobicContact CD2-CE2 4.12Å; L218-F232 HydrophobicContact CD2-CZ 4.44Å
219	Y	98.6	Very high	96.8	Very high	5 Å²	5	26 Å²	26	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-36.5	175.6	-171.4	-98.6	0	0	0	111.9	K128 A131 F132 H135 M136 L174 L215 L217 F221 L222 P223 D224 F225	K128-Y219 HydrophobicContact CB-CE1 4.17Å; A131-Y219 HydrophobicContact CB-CE1 4.3Å; A131-Y219 WeakPolarHBondContact CB-OH 3.41Å; A131-Y219 PolarHBondContact O-OH 3.27Å; F132-Y219 VanDerWaalsContact CA-CE1 3.49Å; F132-Y219 HydrophobicContact CB-CD1 3.59Å; F132-Y219 HydrophobicContact CB-CE1 3.75Å; F132-Y219 HydrophobicContact CB-CG 4.26Å; F132-Y219 AromaticContact CD2-CD1 3.94Å; F132-Y219 HydrophobicContact CD2-CD1 3.94Å; F132-Y219 AromaticContact CD2-CG 3.84Å; F132-Y219 HydrophobicContact CD2-CG 3.84Å; F132-Y219 HydrophobicContact CG-CD1 4.26Å; H135-Y219 HydrophobicContact CB-CD2 4.11Å; H135-Y219 HydrophobicContact CB-CE2 3.53Å; H135-Y219 AromaticContact CD2-CD2 3.82Å; H135-Y219 AromaticContact CD2-CE2 3.92Å; H135-Y219 AromaticContact CG-CD2 3.96Å; H135-Y219 AromaticContact CG-CE2 3.57Å; M136-Y219 HydrophobicContact CE-CD2 4.06Å; M136-Y219 HydrophobicContact CE-CG 4.24Å; L174-Y219 HydrophobicContact CD2-CD1 3.91Å; L215-Y219 WeakPolarHBondContact O-CB 3.49Å; L215-Y219 PolarHBondContact O-N 2.8Å; L217-Y219 VanDerWaalsContact C-N 3.31Å; L217-Y219 PolarHBondContact O-N 2.84Å; Y219-F221 VanDerWaalsContact C-N 3.3Å; Y219-F221 PolarHBondContact O-N 2.87Å; Y219-L222 CarbonylContact O-C 3.52Å; Y219-P223 VanDerWaalsContact O-CA 3.3Å; Y219-P223 WeakPolarHBondContact O-CA 3.38Å; Y219-P223 VanDerWaalsContact O-CD 3.26Å; Y219-P223 WeakPolarHBondContact O-CD 3.24Å; Y219-P223 WeakPolarHBondContact O-CG 3.29Å; Y219-P223 VanDerWaalsContact O-N 3.14Å; Y219-D224 PolarHBondContact OH-OD1 2.84Å; Y219-F225 HydrophobicContact CD2-CE1 4.37Å
220	G	98.3	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-41.2	170.7	0	0	0	0	0	112.5	K128 G177 A216 L217 L218	K128-G220 PolarHBondContact NZ-O 3.32Å; G177-G220 CarbonylContact C-O 3.56Å; G177-G220 CarbonylContact O-C 3.38Å; A216-G220 PolarHBondContact O-N 2.85Å; L217-G220 WeakPolarHBondContact O-CA 3.43Å; L217-G220 PolarHBondContact O-N 2.81Å; L217-G220 VanDerWaalsContact O-N 3.09Å; L218-G220 VanDerWaalsContact C-N 3.35Å; L218-G220 PolarHBondContact O-N 2.84Å
221	F	98.4	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-73.8	-52.5	-176.4	-175.4	-116.3	0	0	0	113.3	G177 L180 R181 Y184 L185 L191 L217 L218 Y219 F372	G177-F221 VanDerWaalsContact O-CA 3.28Å; G177-F221 WeakPolarHBondContact O-CA 3.35Å; G177-F221 PolarHBondContact O-N 2.9Å; L180-F221 HydrophobicContact CB-CD2 3.8Å; L180-F221 HydrophobicContact CB-CE2 4.16Å; R181-F221 HydrophobicContact CB-CD2 4.4Å; R181-F221 WeakPolarHBondContact CB-O 3.21Å; R181-F221 VanDerWaalsContact CD-O 3.28Å; R181-F221 WeakPolarHBondContact CD-O 3.39Å; R181-F221 VanDerWaalsContact CG-O 3.23Å; R181-F221 WeakPolarHBondContact CG-O 3.43Å; Y184-F221 HydrophobicContact CD2-CE2 4.37Å; L185-F221 HydrophobicContact CD1-CD2 4.42Å; L185-F221 HydrophobicContact CD1-CE1 4.18Å; L185-F221 HydrophobicContact CD1-CE2 4.09Å; L185-F221 HydrophobicContact CD1-CZ 3.96Å; L185-F221 WeakPolarHBondContact CD1-O 3.49Å; L185-F221 HydrophobicContact CD2-CE1 4.3Å; L185-F221 HydrophobicContact CD2-CE2 4.2Å; L185-F221 HydrophobicContact CD2-CZ 3.65Å; L185-F221 HydrophobicContact CG-CD2 4.48Å; L185-F221 HydrophobicContact CG-CE1 4.39Å; L185-F221 HydrophobicContact CG-CE2 3.76Å; L185-F221 HydrophobicContact CG-CZ 3.7Å; L191-F221 HydrophobicContact CD1-CE1 4.26Å; L217-F221 HydrophobicContact CD2-CB 4.47Å; L217-F221 WeakPolarHBondContact O-CB 3.32Å; L217-F221 PolarHBondContact O-N 2.58Å; L218-F221 PolarHBondContact O-N 2.75Å; L218-F221 VanDerWaalsContact O-N 3.16Å; Y219-F221 VanDerWaalsContact C-N 3.3Å; Y219-F221 PolarHBondContact O-N 2.87Å; F221-F372 HydrophobicContact CD1-CD1 4.34Å; F221-F372 HydrophobicContact CD1-CE1 4.01Å; F221-F372 HydrophobicContact CD1-CE2 4.36Å; F221-F372 HydrophobicContact CD1-CZ 4.02Å; F221-F372 HydrophobicContact CD2-CE2 4.37Å; F221-F372 HydrophobicContact CD2-CZ 4.43Å; F221-F372 HydrophobicContact CE1-CB 4.47Å; F221-F372 AromaticContact CE1-CD1 3.87Å; F221-F372 HydrophobicContact CE1-CD1 3.87Å; F221-F372 AromaticContact CE1-CD2 3.79Å; F221-F372 HydrophobicContact CE1-CD2 3.79Å; F221-F372 AromaticContact CE1-CE1 3.94Å; F221-F372 HydrophobicContact CE1-CE1 3.94Å; F221-F372 AromaticContact CE1-CE2 3.88Å; F221-F372 HydrophobicContact CE1-CE2 3.88Å; F221-F372 AromaticContact CE1-CG 3.77Å; F221-F372 HydrophobicContact CE1-CG 3.77Å; F221-F372 AromaticContact CE1-CZ 3.94Å; F221-F372 HydrophobicContact CE1-CZ 3.94Å; F221-F372 HydrophobicContact CE2-CD2 4.21Å; F221-F372 AromaticContact CE2-CE2 3.87Å; F221-F372 HydrophobicContact CE2-CE2 3.87Å; F221-F372 HydrophobicContact CE2-CZ 4.34Å; F221-F372 HydrophobicContact CG-CZ 4.29Å; F221-F372 HydrophobicContact CZ-CD1 4.45Å; F221-F372 AromaticContact CZ-CD2 3.53Å; F221-F372 HydrophobicContact CZ-CD2 3.53Å; F221-F372 AromaticContact CZ-CE2 3.61Å; F221-F372 HydrophobicContact CZ-CE2 3.61Å; F221-F372 AromaticContact CZ-CG 3.97Å; F221-F372 HydrophobicContact CZ-CG 3.97Å; F221-F372 HydrophobicContact CZ-CZ 4.11Å
222	L	97.4	Very high	96.4	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.089	14%	0.138	C	C	.	.	S	Bend	trans	-123.6	75.4	178.3	-68.3	166.6	0	0	0	109.8	L185 L191 W195 L200 L218 Y219 D224 F225	L185-L222 HydrophobicContact CD1-CD2 3.39Å; L185-L222 HydrophobicContact CD1-CG 4.14Å; L191-L222 HydrophobicContact CD1-CD1 4.37Å; W195-L222 HydrophobicContact CH2-CD1 4.49Å; W195-L222 HydrophobicContact CZ2-CD1 4.14Å; L200-L222 HydrophobicContact CD1-CD1 4.43Å; L218-L222 HydrophobicContact CD1-CD1 4.06Å; L218-L222 PolarHBondContact O-N 3.46Å; Y219-L222 CarbonylContact O-C 3.52Å; L222-D224 PolarHBondContact O-N 2.86Å; L222-F225 HydrophobicContact CB-CB 4.28Å; L222-F225 HydrophobicContact CB-CD1 4.49Å; L222-F225 WeakPolarHBondContact O-CD1 3.4Å; L222-F225 PolarHBondContact O-N 3.07Å
223	P	95.8	Very high	96.2	Very high	27 Å²	27	33 Å²	33	18%	0.175	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	142.7	174.3	-30.8	38.7	0	0	0	112.3	K128 Y219 F225	K128-P223 HydrophobicContact CD-CG 4.37Å; Y219-P223 VanDerWaalsContact O-CA 3.3Å; Y219-P223 WeakPolarHBondContact O-CA 3.38Å; Y219-P223 VanDerWaalsContact O-CD 3.26Å; Y219-P223 WeakPolarHBondContact O-CD 3.24Å; Y219-P223 WeakPolarHBondContact O-CG 3.29Å; Y219-P223 VanDerWaalsContact O-N 3.14Å; P223-F225 PolarHBondContact O-N 3.24Å
224	D	93.3	Very high	96.1	Very high	112 Å²	112	34.9 Å²	34.9	60%	0.599	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	34.6	175.6	-45.7	-48	0	0	0	113.2	Y219 L222	Y219-D224 PolarHBondContact OH-OD1 2.84Å; L222-D224 PolarHBondContact O-N 2.86Å
225	F	94.7	Very high	95.9	Very high	10 Å²	10	35 Å²	35	4%	0.044	16%	0.161	C	C	.	.			trans	-56.3	152.3	175.3	58	-114.5	0	0	0	111.8	H135 M136 L215 L218 Y219 L222 P223 W227 I230	H135-F225 AromaticContact CD2-CZ 3.94Å; H135-F225 PolarHBondContact CE1-O 3.45Å; H135-F225 AromaticContact NE2-CD2 3.51Å; H135-F225 AromaticContact NE2-CE2 3.3Å; H135-F225 VanDerWaalsContact NE2-CE2 3.3Å; H135-F225 WeakPolarHBondContact NE2-CE2 3.4Å; H135-F225 AromaticContact NE2-CZ 3.65Å; H135-F225 PolarHBondContact NE2-O 3.03Å; M136-F225 HydrophobicContact CE-CE1 4.26Å; M136-F225 HydrophobicContact CE-CZ 3.91Å; L215-F225 HydrophobicContact CD2-CZ 4.49Å; L218-F225 HydrophobicContact CB-CE1 4.32Å; L218-F225 HydrophobicContact CD2-CD1 4.11Å; L218-F225 HydrophobicContact CD2-CE1 3.77Å; L218-F225 HydrophobicContact CD2-CZ 4.12Å; L218-F225 HydrophobicContact CG-CD1 3.87Å; L218-F225 HydrophobicContact CG-CE1 3.71Å; Y219-F225 HydrophobicContact CD2-CE1 4.37Å; L222-F225 HydrophobicContact CB-CB 4.28Å; L222-F225 HydrophobicContact CB-CD1 4.49Å; L222-F225 WeakPolarHBondContact O-CD1 3.4Å; L222-F225 PolarHBondContact O-N 3.07Å; P223-F225 PolarHBondContact O-N 3.24Å; F225-W227 AromaticContact CE2-CD2 3.75Å; F225-W227 HydrophobicContact CE2-CD2 3.75Å; F225-W227 AromaticContact CE2-CE2 3.76Å; F225-W227 AromaticContact CE2-CE3 3.77Å; F225-W227 HydrophobicContact CE2-CE3 3.77Å; F225-W227 HydrophobicContact CE2-CG 4.42Å; F225-W227 AromaticContact CE2-CH2 3.96Å; F225-W227 HydrophobicContact CE2-CH2 3.96Å; F225-W227 AromaticContact CE2-CZ2 3.87Å; F225-W227 HydrophobicContact CE2-CZ2 3.87Å; F225-W227 AromaticContact CE2-CZ3 3.89Å; F225-W227 HydrophobicContact CE2-CZ3 3.89Å; F225-W227 AromaticContact CZ-CH2 3.99Å; F225-W227 HydrophobicContact CZ-CH2 3.99Å; F225-W227 HydrophobicContact CZ-CZ2 4.07Å; F225-W227 HydrophobicContact CZ-CZ3 4.22Å; F225-W227 PolarHBondContact O-N 3.34Å; F225-I230 HydrophobicContact CB-CD1 4.28Å; F225-I230 HydrophobicContact CD2-CD1 3.92Å; F225-I230 HydrophobicContact CD2-CG1 3.32Å; F225-I230 HydrophobicContact CE2-CB 4.49Å; F225-I230 HydrophobicContact CE2-CD1 4.44Å; F225-I230 HydrophobicContact CE2-CG1 3.56Å; F225-I230 HydrophobicContact CG-CD1 4.06Å; F225-I230 HydrophobicContact CG-CG1 3.98Å; F225-I230 HydrophobicContact CZ-CG1 4.38Å
226	D	93.4	Very high	95.6	Very high	78 Å²	78	40.2 Å²	40.2	42%	0.417	19%	0.194	S	C	.	.			trans	-77.4	118.2	172	-180	1.5	0	0	0	109.9	K228 K229	D226-K228 PolarHBondContact O-N 3.1Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.42Å; D226-K228 PolarHBondContact OD1-N 3.22Å; D226-K229 HydrophobicContact CB-CD 4.42Å; D226-K229 HydrophobicContact CB-CG 4.28Å; D226-K229 WeakPolarHBondContact O-CB 3.29Å; D226-K229 PolarHBondContact O-N 2.85Å
227	W	93.1	Very high	95.4	Very high	21 Å²	21	41.3 Å²	41.3	8%	0.08	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-53.9	-29.1	177.4	-77.7	107.1	0	0	0	113.6	H135 M136 A142 F144 L153 L215 F225 K229 I230	H135-W227 AromaticContact CD2-CE2 3.9Å; H135-W227 AromaticContact CD2-CZ2 3.78Å; H135-W227 AromaticContact CD2-NE1 3.69Å; H135-W227 AromaticContact CE1-NE1 3.72Å; H135-W227 AromaticContact NE2-CD1 3.98Å; H135-W227 AromaticContact NE2-CE2 3.62Å; H135-W227 AromaticContact NE2-CZ2 3.94Å; H135-W227 AromaticContact NE2-NE1 3.27Å; H135-W227 PolarHBondContact NE2-NE1 3.12Å; H135-W227 PolarHBondContact O-NE1 2.99Å; M136-W227 HydrophobicContact CE-CH2 4.36Å; M136-W227 HydrophobicContact CE-CZ2 4.23Å; M136-W227 HydrophobicContact SD-CH2 3.65Å; M136-W227 HydrophobicContact SD-CZ2 3.75Å; A142-W227 HydrophobicContact CB-CD2 4.38Å; A142-W227 HydrophobicContact CB-CE3 3.39Å; A142-W227 HydrophobicContact CB-CZ3 3.69Å; F144-W227 HydrophobicContact CE1-CZ3 4.4Å; F144-W227 AromaticContact CZ-CZ3 3.96Å; F144-W227 HydrophobicContact CZ-CZ3 3.96Å; L153-W227 HydrophobicContact CD1-CH2 4.07Å; L153-W227 HydrophobicContact CD1-CZ2 4.46Å; L215-W227 HydrophobicContact CD2-CH2 3.97Å; L215-W227 HydrophobicContact CD2-CZ3 4.11Å; F225-W227 AromaticContact CE2-CD2 3.75Å; F225-W227 HydrophobicContact CE2-CD2 3.75Å; F225-W227 AromaticContact CE2-CE2 3.76Å; F225-W227 AromaticContact CE2-CE3 3.77Å; F225-W227 HydrophobicContact CE2-CE3 3.77Å; F225-W227 HydrophobicContact CE2-CG 4.42Å; F225-W227 AromaticContact CE2-CH2 3.96Å; F225-W227 HydrophobicContact CE2-CH2 3.96Å; F225-W227 AromaticContact CE2-CZ2 3.87Å; F225-W227 HydrophobicContact CE2-CZ2 3.87Å; F225-W227 AromaticContact CE2-CZ3 3.89Å; F225-W227 HydrophobicContact CE2-CZ3 3.89Å; F225-W227 AromaticContact CZ-CH2 3.99Å; F225-W227 HydrophobicContact CZ-CH2 3.99Å; F225-W227 HydrophobicContact CZ-CZ2 4.07Å; F225-W227 HydrophobicContact CZ-CZ3 4.22Å; F225-W227 PolarHBondContact O-N 3.34Å; W227-K229 PolarHBondContact O-N 2.81Å; W227-I230 HydrophobicContact CE3-CB 4.44Å; W227-I230 PolarHBondContact O-N 2.97Å; W227-I230 VanDerWaalsContact O-N 3.14Å
228	K	92.3	Very high	95.2	Very high	181 Å²	181	43 Å²	43	79%	0.787	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-66.7	-21.9	177.1	-63	178.3	-178.3	177.8	0	113.2	D226	D226-K228 PolarHBondContact O-N 3.1Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.42Å; D226-K228 PolarHBondContact OD1-N 3.22Å
229	K	92.8	Very high	94.9	Very high	67 Å²	67	44 Å²	44	29%	0.291	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-92.2	-4.3	177.3	-61.9	-174.3	178.9	-175.4	0	112.8	W195 A197 D226 W227	W195-K229 HydrophobicContact CE3-CD 4.23Å; W195-K229 HydrophobicContact CH2-CB 3.56Å; W195-K229 HydrophobicContact CH2-CD 3.63Å; W195-K229 HydrophobicContact CH2-CG 4.26Å; W195-K229 HydrophobicContact CZ2-CD 4.07Å; W195-K229 HydrophobicContact CZ3-CB 3.72Å; W195-K229 HydrophobicContact CZ3-CD 3.73Å; W195-K229 HydrophobicContact CZ3-CG 4.35Å; W195-K229 PolarHBondContact O-NZ 3.44Å; A197-K229 HydrophobicContact CB-CB 4.02Å; A197-K229 HydrophobicContact CB-CG 4.4Å; D226-K229 HydrophobicContact CB-CD 4.42Å; D226-K229 HydrophobicContact CB-CG 4.28Å; D226-K229 WeakPolarHBondContact O-CB 3.29Å; D226-K229 PolarHBondContact O-N 2.85Å; W227-K229 PolarHBondContact O-N 2.81Å
230	I	94.1	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.22	C	C	.	.			trans	-101.3	118.5	-175.6	-57.1	-44.1	0	0	0	109.9	F144 W195 L200 L202 L218 F225 W227 F232	F144-I230 HydrophobicContact CE1-CG2 4.29Å; W195-I230 HydrophobicContact CH2-CD1 4.24Å; L200-I230 HydrophobicContact CD2-CD1 3.81Å; L202-I230 HydrophobicContact CD1-CG2 3.73Å; L218-I230 HydrophobicContact CD2-CD1 3.97Å; L218-I230 HydrophobicContact CD2-CG1 4.36Å; L218-I230 HydrophobicContact CD2-CG2 4.09Å; F225-I230 HydrophobicContact CB-CD1 4.28Å; F225-I230 HydrophobicContact CD2-CD1 3.92Å; F225-I230 HydrophobicContact CD2-CG1 3.32Å; F225-I230 HydrophobicContact CE2-CB 4.49Å; F225-I230 HydrophobicContact CE2-CD1 4.44Å; F225-I230 HydrophobicContact CE2-CG1 3.56Å; F225-I230 HydrophobicContact CG-CD1 4.06Å; F225-I230 HydrophobicContact CG-CG1 3.98Å; F225-I230 HydrophobicContact CZ-CG1 4.38Å; W227-I230 HydrophobicContact CE3-CB 4.44Å; W227-I230 PolarHBondContact O-N 2.97Å; W227-I230 VanDerWaalsContact O-N 3.14Å; I230-F232 HydrophobicContact CG2-CD2 3.94Å; I230-F232 HydrophobicContact CG2-CE2 4Å
231	Y	95.2	Very high	94.2	Very high	96 Å²	96	43.9 Å²	43.9	38%	0.376	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	106.8	175.3	-176.1	-95.9	0	0	0	110.3	S143 R233	S143-Y231 WeakPolarHBondContact O-CA 3.49Å; S143-Y231 WeakPolarHBondContact O-CD2 3.31Å; S143-Y231 WeakPolarHBondContact O-CE2 3.5Å; Y231-R233 HydrophobicContact CD1-CG 3.9Å; Y231-R233 HydrophobicContact CE1-CG 3.52Å
232	F	95.5	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.4	172.5	-88.4	-91.8	0	0	0	110.2	F144 E145 L148 L202 T204 L211 L215 L218 I230	F144-F232 HydrophobicContact CD1-CB 3.99Å; F144-F232 HydrophobicContact CD1-CD2 4.37Å; F144-F232 HydrophobicContact CE1-CB 4.2Å; F144-F232 AromaticContact CE1-CD2 3.73Å; F144-F232 HydrophobicContact CE1-CD2 3.73Å; F144-F232 HydrophobicContact CE1-CG 4.41Å; F144-F232 HydrophobicContact CZ-CD2 4.2Å; E145-F232 PolarHBondContact N-O 3.03Å; L148-F232 HydrophobicContact CD1-CB 3.99Å; L202-F232 HydrophobicContact CB-CD1 3.8Å; L202-F232 HydrophobicContact CB-CD2 4.23Å; L202-F232 HydrophobicContact CB-CE1 3.88Å; L202-F232 HydrophobicContact CB-CE2 4.3Å; L202-F232 HydrophobicContact CB-CG 3.99Å; L202-F232 HydrophobicContact CB-CZ 4.14Å; L202-F232 HydrophobicContact CD1-CD2 3.86Å; L202-F232 HydrophobicContact CD1-CE2 3.61Å; L202-F232 HydrophobicContact CD1-CG 4.45Å; L202-F232 HydrophobicContact CD1-CZ 3.99Å; L202-F232 HydrophobicContact CG-CE2 4.49Å; L202-F232 HydrophobicContact CG-CZ 4.46Å; T204-F232 HydrophobicContact CG2-CD1 3.78Å; T204-F232 HydrophobicContact CG2-CE1 4.44Å; L211-F232 HydrophobicContact CD1-CB 4.4Å; L211-F232 HydrophobicContact CD1-CD1 4.15Å; L211-F232 HydrophobicContact CD1-CD2 4.25Å; L211-F232 HydrophobicContact CD1-CE1 4.49Å; L211-F232 HydrophobicContact CD1-CG 4.01Å; L215-F232 HydrophobicContact CD2-CD2 4.4Å; L215-F232 HydrophobicContact CD2-CE2 3.66Å; L215-F232 HydrophobicContact CD2-CZ 4.31Å; L215-F232 HydrophobicContact CG-CE2 4.21Å; L215-F232 HydrophobicContact CG-CZ 4.47Å; L218-F232 HydrophobicContact CD2-CE2 4.12Å; L218-F232 HydrophobicContact CD2-CZ 4.44Å; I230-F232 HydrophobicContact CG2-CD2 3.94Å; I230-F232 HydrophobicContact CG2-CE2 4Å
233	R	95.9	Very high	92.5	Very high	78 Å²	78	48.6 Å²	48.6	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.2	171.5	-71.3	166.3	-172.9	81.2	-3.4	110.6	E145 L202 E203 T204 Y231	E145-R233 WeakPolarHBondContact OE2-CA 3.39Å; L202-R233 WeakPolarHBondContact O-CB 3.19Å; L202-R233 PolarHBondContact O-N 3.44Å; E203-R233 WeakPolarHBondContact CA-O 3.44Å; E203-R233 HydrophobicContact CB-CB 4.25Å; E203-R233 HydrophobicContact CG-CB 4.1Å; T204-R233 PolarHBondContact N-O 3.41Å; Y231-R233 HydrophobicContact CD1-CG 3.9Å; Y231-R233 HydrophobicContact CE1-CG 3.52Å
234	H	95.6	Very high	92	Very high	39 Å²	39	50.6 Å²	50.6	18%	0.181	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.3	176.8	176.3	-130.1	0	0	0	110.6	E145 S146 P147 L148 G206 P236	E145-H234 HydrophobicContact CB-CB 3.98Å; E145-H234 HydrophobicContact CG-CB 4Å; E145-H234 PolarHBondContact OE2-N 3.04Å; S146-H234 PolarHBondContact O-ND1 2.72Å; P147-H234 WeakPolarHBondContact CD-CE1 3.39Å; P147-H234 VanDerWaalsContact CD-ND1 3.29Å; P147-H234 WeakPolarHBondContact CD-ND1 3.38Å; L148-H234 HydrophobicContact CD1-CB 3.96Å; L148-H234 HydrophobicContact CG-CB 4.04Å; G206-H234 PolarHBondContact N-CD2 3.05Å; G206-H234 PolarHBondContact N-NE2 3.12Å; H234-P236 WeakPolarHBondContact O-CD 3.33Å
235	Q	94.9	Very high	91.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.019	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.6	171.5	179	51.2	-109.3	0	0	110.4	E203 T204 T205 S237 F240	E203-Q235 HydrophobicContact CG-CB 3.93Å; E203-Q235 WeakPolarHBondContact OE1-CB 3.49Å; E203-Q235 PolarHBondContact OE1-NE2 3.23Å; T204-Q235 PolarHBondContact O-N 2.81Å; T205-Q235 VanDerWaalsContact CA-O 3.31Å; T205-Q235 WeakPolarHBondContact CA-O 3.37Å; Q235-S237 WeakPolarHBondContact CG-O 3.27Å; Q235-S237 PolarHBondContact O-N 3.25Å; Q235-S237 PolarHBondContact OE1-O 3.46Å; Q235-F240 HydrophobicContact CB-CD1 4.21Å; Q235-F240 HydrophobicContact CB-CE1 4.01Å; Q235-F240 HydrophobicContact CB-CZ 4.22Å; Q235-F240 HydrophobicContact CG-CB 4.28Å; Q235-F240 HydrophobicContact CG-CD1 3.77Å; Q235-F240 HydrophobicContact CG-CD2 3.93Å; Q235-F240 HydrophobicContact CG-CE1 4.01Å; Q235-F240 HydrophobicContact CG-CE2 4.14Å; Q235-F240 HydrophobicContact CG-CG 3.74Å; Q235-F240 HydrophobicContact CG-CZ 4.18Å
236	P	92.8	Very high	91.6	Very high	108 Å²	108	54.9 Å²	54.9	70%	0.701	30%	0.296	S	S	*	.	S	Bend	trans	-67.9	-22.5	-178.5	26	-34.9	0	0	0	113.4	H234	H234-P236 WeakPolarHBondContact O-CD 3.33Å
237	S	94.2	Very high	91.6	Very high	24 Å²	24	51.1 Å²	51.1	17%	0.168	28%	0.276	C	S	.	.	S	Bend	trans	-107.1	130	-177.8	179.7	0	0	0	0	112.6	Q235 L239 F240 C245	Q235-S237 WeakPolarHBondContact CG-O 3.27Å; Q235-S237 PolarHBondContact O-N 3.25Å; Q235-S237 PolarHBondContact OE1-O 3.46Å; S237-L239 PolarHBondContact O-N 2.93Å; S237-L239 PolarHBondContact OG-N 2.88Å; S237-F240 PolarHBondContact O-N 3.33Å; S237-C245 WeakPolarHBondContact CB-SG 3.35Å; S237-C245 PolarHBondContact OG-SG 3.47Å; S237-C245 VanDerWaalsContact OG-SG 3.32Å
238	A	93.7	Very high	91.6	Very high	35 Å²	35	51.9 Å²	51.9	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.9	172.4	0	0	0	0	0	113.6	V380 T381	A238-V380 HydrophobicContact CB-CG2 3.93Å; A238-T381 VanDerWaalsContact O-CB 3.31Å; A238-T381 WeakPolarHBondContact O-CB 3.37Å; A238-T381 WeakPolarHBondContact O-CG2 3.32Å; A238-T381 PolarHBondContact O-OG1 2.77Å
239	L	92.1	Very high	91.6	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.6	173.2	-68.5	178.4	0	0	0	114.1	S237 C241 P384	S237-L239 PolarHBondContact O-N 2.93Å; S237-L239 PolarHBondContact OG-N 2.88Å; L239-C241 VanDerWaalsContact C-N 3.25Å; L239-C241 PolarHBondContact O-N 3.17Å; L239-P384 HydrophobicContact CD2-CG 4.31Å
240	F	94.6	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.			trans	54	45.7	-175.8	-75.3	-111.6	0	0	0	111.9	E203 T205 Q235 S237 S242 I352 Y375 A377 T381	E203-F240 HydrophobicContact CB-CE1 4.31Å; E203-F240 HydrophobicContact CG-CD1 4.21Å; E203-F240 HydrophobicContact CG-CE1 3.81Å; T205-F240 HydrophobicContact CG2-CE2 3.72Å; T205-F240 HydrophobicContact CG2-CZ 4.09Å; Q235-F240 HydrophobicContact CB-CD1 4.21Å; Q235-F240 HydrophobicContact CB-CE1 4.01Å; Q235-F240 HydrophobicContact CB-CZ 4.22Å; Q235-F240 HydrophobicContact CG-CB 4.28Å; Q235-F240 HydrophobicContact CG-CD1 3.77Å; Q235-F240 HydrophobicContact CG-CD2 3.93Å; Q235-F240 HydrophobicContact CG-CE1 4.01Å; Q235-F240 HydrophobicContact CG-CE2 4.14Å; Q235-F240 HydrophobicContact CG-CG 3.74Å; Q235-F240 HydrophobicContact CG-CZ 4.18Å; S237-F240 PolarHBondContact O-N 3.33Å; F240-S242 PolarHBondContact O-N 3.37Å; F240-I352 HydrophobicContact CB-CB 3.91Å; F240-I352 HydrophobicContact CB-CD1 3.83Å; F240-I352 HydrophobicContact CB-CG1 3.78Å; F240-I352 HydrophobicContact CD1-CD1 4.35Å; F240-I352 WeakPolarHBondContact O-CB 3.41Å; F240-Y375 AromaticContact CD1-CD1 3.98Å; F240-Y375 HydrophobicContact CD1-CD1 3.98Å; F240-Y375 HydrophobicContact CE1-CD1 4.1Å; F240-A377 HydrophobicContact CD2-CB 4.32Å; F240-A377 HydrophobicContact CE2-CB 3.44Å; F240-A377 VanDerWaalsContact CE2-CB 3.44Å; F240-A377 HydrophobicContact CZ-CB 3.72Å; F240-T381 HydrophobicContact CD2-CG2 3.56Å; F240-T381 HydrophobicContact CE2-CG2 4.03Å; F240-T381 HydrophobicContact CG-CG2 4.34Å
241	C	88.4	Confident	91.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.02	25%	0.254	C	S	.	.			trans	-76.6	-11.5	-173.3	69.2	0	0	0	0	113.9	L239 G243 S244 C245 P351	L239-C241 VanDerWaalsContact C-N 3.25Å; L239-C241 PolarHBondContact O-N 3.17Å; C241-G243 VanDerWaalsContact C-N 3.27Å; C241-G243 PolarHBondContact O-N 2.97Å; C241-G243 VanDerWaalsContact O-N 3.15Å; C241-S244 WeakPolarHBondContact O-CA 3.31Å; C241-S244 PolarHBondContact O-N 3.48Å; C241-C245 HydrophobicContact CB-CB 3.83Å; C241-C245 WeakPolarHBondContact CB-SG 3.08Å; C241-C245 WeakPolarHBondContact SG-CA 3.32Å; C241-C245 WeakPolarHBondContact SG-CB 3.19Å; C241-C245 CovalentContact SG-SG 2Å; C241-C245 PolarHBondContact SG-SG 2.04Å; C241-P351 HydrophobicContact CB-CB 4.42Å; C241-P351 HydrophobicContact CB-CG 4.42Å; C241-P351 WeakPolarHBondContact O-CB 3.48Å
242	S	79.9	Confident	91.5	Very high	42 Å²	42	43 Å²	43	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	46.5	177.4	-57.6	0	0	0	0	114.7	F240 S244 Q355	F240-S242 PolarHBondContact O-N 3.37Å; S242-S244 VanDerWaalsContact C-N 3.33Å; S242-S244 PolarHBondContact O-N 3.25Å; S242-Q355 PolarHBondContact OG-NE2 3Å; S242-Q355 PolarHBondContact OG-OE1 3.15Å
243	G	80.6	Confident	91.4	Very high	74 Å²	74	43.7 Å²	43.7	76%	0.763	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-23.9	-178.4	0	0	0	0	0	114.6	C241 C245	C241-G243 VanDerWaalsContact C-N 3.27Å; C241-G243 PolarHBondContact O-N 2.97Å; C241-G243 VanDerWaalsContact O-N 3.15Å; G243-C245 PolarHBondContact O-N 2.89Å; G243-C245 VanDerWaalsContact O-N 3.08Å
244	S	85.9	Confident	91.3	Very high	68 Å²	68	42.3 Å²	42.3	48%	0.476	25%	0.252	S	S	.	.			trans	-86.8	44.4	176.8	-54.6	0	0	0	0	112.5	C241 S242	C241-S244 WeakPolarHBondContact O-CA 3.31Å; C241-S244 PolarHBondContact O-N 3.48Å; S242-S244 VanDerWaalsContact C-N 3.33Å; S242-S244 PolarHBondContact O-N 3.25Å
245	C	87	Confident	91.3	Very high	42 Å²	42	46.3 Å²	46.3	28%	0.284	27%	0.271	S	S	.	.			trans	-78.7	-21.1	-174.4	-104.8	0	0	0	0	114.4	S237 C241 G243 C247 R250	S237-C245 WeakPolarHBondContact CB-SG 3.35Å; S237-C245 PolarHBondContact OG-SG 3.47Å; S237-C245 VanDerWaalsContact OG-SG 3.32Å; C241-C245 HydrophobicContact CB-CB 3.83Å; C241-C245 WeakPolarHBondContact CB-SG 3.08Å; C241-C245 WeakPolarHBondContact SG-CA 3.32Å; C241-C245 WeakPolarHBondContact SG-CB 3.19Å; C241-C245 CovalentContact SG-SG 2Å; C241-C245 PolarHBondContact SG-SG 2.04Å; G243-C245 PolarHBondContact O-N 2.89Å; G243-C245 VanDerWaalsContact O-N 3.08Å; C245-C247 PolarHBondContact O-N 3.4Å; C245-R250 VanDerWaalsContact O-CZ 3.25Å; C245-R250 PolarHBondContact O-NH1 3.15Å; C245-R250 PolarHBondContact O-NH2 3.32Å
246	Y	91.2	Very high	91.4	Very high	170 Å²	170	49.6 Å²	49.6	67%	0.667	29%	0.285	S	S	*	.			trans	-79.8	117.6	-176.1	-176.8	-105.3	0	0	0	110.9	P248 H476	Y246-P248 HydrophobicContact CE1-CG 3.76Å; Y246-P248 HydrophobicContact CE2-CG 4.18Å; Y246-P248 WeakPolarHBondContact OH-CG 3.4Å; Y246-H476 AromaticContact CD1-NE2 3.93Å; Y246-H476 AromaticContact CE1-NE2 3.57Å
247	C	93.3	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.			trans	-157.1	93.6	178.2	-172.9	0	0	0	0	109.4	C245 V249 R250 N251 C475	C245-C247 PolarHBondContact O-N 3.4Å; C247-V249 PolarHBondContact O-N 3.49Å; C247-R250 HydrophobicContact CB-CB 3.9Å; C247-R250 WeakPolarHBondContact O-CB 3.2Å; C247-R250 PolarHBondContact O-N 3.34Å; C247-N251 PolarHBondContact O-N 3Å; C247-C475 HydrophobicContact CB-CB 3.87Å; C247-C475 WeakPolarHBondContact CB-SG 3.36Å; C247-C475 WeakPolarHBondContact SG-CA 3.37Å; C247-C475 WeakPolarHBondContact SG-CB 3.44Å; C247-C475 CovalentContact SG-SG 2.04Å; C247-C475 PolarHBondContact SG-SG 3.3Å
248	P	93.4	Very high	91.6	Very high	37 Å²	37	49 Å²	49	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-46.2	-177.3	-30	36	0	0	0	114.1	Y246 R250 N251 Q252 C475	Y246-P248 HydrophobicContact CE1-CG 3.76Å; Y246-P248 HydrophobicContact CE2-CG 4.18Å; Y246-P248 WeakPolarHBondContact OH-CG 3.4Å; P248-R250 VanDerWaalsContact C-N 3.28Å; P248-R250 PolarHBondContact O-N 3.15Å; P248-N251 WeakPolarHBondContact O-CB 3.34Å; P248-N251 PolarHBondContact O-N 3.42Å; P248-Q252 PolarHBondContact O-N 3.4Å; P248-Q252 VanDerWaalsContact O-N 3.17Å; P248-C475 WeakPolarHBondContact CD-O 3.29Å
249	V	92.8	Very high	91.7	Very high	3 Å²	3	56 Å²	56	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-34.2	-178.5	175.1	0	0	0	0	112	C247 N251 Q252 Y253 L347 C475 R477	C247-V249 PolarHBondContact O-N 3.49Å; V249-N251 VanDerWaalsContact C-N 3.3Å; V249-N251 PolarHBondContact O-N 3.1Å; V249-Q252 WeakPolarHBondContact O-CB 3.05Å; V249-Q252 PolarHBondContact O-N 3.29Å; V249-Y253 HydrophobicContact CG1-CD2 3.97Å; V249-Y253 HydrophobicContact CG1-CE2 3.79Å; V249-Y253 WeakPolarHBondContact O-CD2 3.38Å; V249-Y253 PolarHBondContact O-N 2.85Å; V249-Y253 VanDerWaalsContact O-N 3.08Å; V249-L347 HydrophobicContact CB-CD1 4.07Å; V249-L347 HydrophobicContact CG1-CD1 3.75Å; V249-C475 VanDerWaalsContact CG2-O 3.28Å; V249-C475 WeakPolarHBondContact CG2-O 3.38Å; V249-C475 PolarHBondContact N-O 2.97Å; V249-R477 HydrophobicContact CG2-CG 3.92Å
250	R	93.3	Very high	91.9	Very high	22 Å²	22	55.9 Å²	55.9	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-43	173.7	-178.8	-164.4	65.9	-146	-7.9	111.2	C245 C247 P248 Q252 Y253 L254 Y344 L347	C245-R250 VanDerWaalsContact O-CZ 3.25Å; C245-R250 PolarHBondContact O-NH1 3.15Å; C245-R250 PolarHBondContact O-NH2 3.32Å; C247-R250 HydrophobicContact CB-CB 3.9Å; C247-R250 WeakPolarHBondContact O-CB 3.2Å; C247-R250 PolarHBondContact O-N 3.34Å; P248-R250 VanDerWaalsContact C-N 3.28Å; P248-R250 PolarHBondContact O-N 3.15Å; R250-Q252 VanDerWaalsContact C-N 3.34Å; R250-Y253 PolarHBondContact O-N 3.27Å; R250-L254 PolarHBondContact O-N 3.34Å; R250-Y344 HydrophobicContact CG-CD2 3.56Å; R250-Y344 HydrophobicContact CG-CE2 3.87Å; R250-L347 HydrophobicContact CB-CB 3.82Å; R250-L347 HydrophobicContact CB-CD1 4.08Å; R250-L347 HydrophobicContact CG-CB 4.1Å
251	N	92.1	Very high	92	Very high	66 Å²	66	58.5 Å²	58.5	35%	0.353	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-37.5	-179.4	-64.1	-9.1	0	0	0	111	C247 P248 V249 Y253 L254 E255	C247-N251 PolarHBondContact O-N 3Å; P248-N251 WeakPolarHBondContact O-CB 3.34Å; P248-N251 PolarHBondContact O-N 3.42Å; V249-N251 VanDerWaalsContact C-N 3.3Å; V249-N251 PolarHBondContact O-N 3.1Å; N251-Y253 PolarHBondContact O-N 3Å; N251-L254 WeakPolarHBondContact O-CB 3.41Å; N251-L254 PolarHBondContact O-N 3.26Å; N251-L254 VanDerWaalsContact O-N 3.14Å; N251-E255 WeakPolarHBondContact O-CG 3.26Å; N251-E255 PolarHBondContact O-N 3.29Å
252	Q	93.6	Very high	92.3	Very high	66 Å²	66	65 Å²	65	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-42.9	173.5	-64.8	171.2	-12.6	0	0	112.3	P248 V249 R250 L254 E255 K256	P248-Q252 PolarHBondContact O-N 3.4Å; P248-Q252 VanDerWaalsContact O-N 3.17Å; V249-Q252 WeakPolarHBondContact O-CB 3.05Å; V249-Q252 PolarHBondContact O-N 3.29Å; R250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-L254 VanDerWaalsContact C-N 3.32Å; Q252-L254 PolarHBondContact O-N 2.03Å; Q252-E255 PolarHBondContact O-N 3.31Å; Q252-K256 WeakPolarHBondContact O-CG 3.48Å; Q252-K256 PolarHBondContact O-N 2.78Å
253	Y	94.5	Very high	93	Very high	15 Å²	15	66.7 Å²	66.7	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-41.7	173.1	-84	-71.5	0	0	0	111.9	V249 R250 N251 K256 E257 L340 L347 L464 R477 F480	V249-Y253 HydrophobicContact CG1-CD2 3.97Å; V249-Y253 HydrophobicContact CG1-CE2 3.79Å; V249-Y253 WeakPolarHBondContact O-CD2 3.38Å; V249-Y253 PolarHBondContact O-N 2.85Å; V249-Y253 VanDerWaalsContact O-N 3.08Å; R250-Y253 PolarHBondContact O-N 3.27Å; N251-Y253 PolarHBondContact O-N 3Å; Y253-K256 PolarHBondContact O-N 2.63Å; Y253-E257 VanDerWaalsContact O-CB 3.3Å; Y253-E257 WeakPolarHBondContact O-CB 3.4Å; Y253-E257 PolarHBondContact O-N 3Å; Y253-L340 WeakPolarHBondContact CD1-O 3.19Å; Y253-L347 HydrophobicContact CD2-CD1 4.16Å; Y253-L347 HydrophobicContact CE2-CD1 4.29Å; Y253-L464 HydrophobicContact CE2-CD2 4.14Å; Y253-R477 PolarHBondContact OH-NH2 3.37Å; Y253-F480 AromaticContact CD1-CE1 3.83Å; Y253-F480 HydrophobicContact CD1-CE1 3.83Å; Y253-F480 HydrophobicContact CD1-CZ 4.26Å; Y253-F480 HydrophobicContact CD2-CE1 4.27Å; Y253-F480 HydrophobicContact CE1-CD1 4.44Å; Y253-F480 AromaticContact CE1-CE1 3.31Å; Y253-F480 HydrophobicContact CE1-CE1 3.31Å; Y253-F480 HydrophobicContact CE1-CE2 4.43Å; Y253-F480 AromaticContact CE1-CZ 3.32Å; Y253-F480 HydrophobicContact CE1-CZ 3.32Å; Y253-F480 HydrophobicContact CE2-CD1 4.23Å; Y253-F480 AromaticContact CE2-CE1 3.81Å; Y253-F480 HydrophobicContact CE2-CE1 3.81Å; Y253-F480 HydrophobicContact CE2-CZ 4.13Å; Y253-F480 HydrophobicContact CG-CE1 4.27Å; Y253-F480 AromaticContact CZ-CE1 3.31Å; Y253-F480 AromaticContact CZ-CE2 3.99Å; Y253-F480 AromaticContact CZ-CZ 3.24Å; Y253-F480 WeakPolarHBondContact OH-CE2 3.35Å; Y253-F480 WeakPolarHBondContact OH-CZ 3.27Å
254	L	94.3	Very high	93.7	Very high	49 Å²	49	64.7 Å²	64.7	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-43.5	177.8	-176.5	60.1	0	0	0	111.7	R250 N251 Q252 E257 Q258 Y344	R250-L254 PolarHBondContact O-N 3.34Å; N251-L254 WeakPolarHBondContact O-CB 3.41Å; N251-L254 PolarHBondContact O-N 3.26Å; N251-L254 VanDerWaalsContact O-N 3.14Å; Q252-L254 VanDerWaalsContact C-N 3.32Å; Q252-L254 PolarHBondContact O-N 2.03Å; L254-E257 PolarHBondContact O-N 3.25Å; L254-Q258 HydrophobicContact CD1-CG 4.4Å; L254-Q258 HydrophobicContact CG-CG 4.5Å; L254-Q258 WeakPolarHBondContact O-CB 3.35Å; L254-Q258 VanDerWaalsContact O-CG 3.28Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 2.55Å; L254-Y344 HydrophobicContact CB-CD2 3.79Å; L254-Y344 HydrophobicContact CB-CE2 4.11Å; L254-Y344 HydrophobicContact CD1-CD2 4.19Å; L254-Y344 HydrophobicContact CD1-CE2 4.07Å; L254-Y344 HydrophobicContact CD2-CE2 4.04Å; L254-Y344 HydrophobicContact CG-CD2 4.4Å; L254-Y344 HydrophobicContact CG-CE2 4.3Å
255	E	95.6	Very high	94.1	Very high	124 Å²	124	67 Å²	67	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-45.4	176.9	-73.3	170.6	-165.9	0	0	111.9	N251 Q252 E257 Q258 R259	N251-E255 WeakPolarHBondContact O-CG 3.26Å; N251-E255 PolarHBondContact O-N 3.29Å; Q252-E255 PolarHBondContact O-N 3.31Å; E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.75Å; E255-Q258 PolarHBondContact O-N 3.33Å; E255-R259 WeakPolarHBondContact O-CB 3.45Å; E255-R259 PolarHBondContact O-N 2.92Å
256	K	95.8	Very high	94.3	Very high	73 Å²	73	69.4 Å²	69.4	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-41.4	175.3	-70.5	176.2	-174.5	179.2	0	111	Q252 Y253 R259 R260 L340 F480	Q252-K256 WeakPolarHBondContact O-CG 3.48Å; Q252-K256 PolarHBondContact O-N 2.78Å; Y253-K256 PolarHBondContact O-N 2.63Å; K256-R259 PolarHBondContact O-N 2.81Å; K256-R260 PolarHBondContact O-N 3.13Å; K256-L340 HydrophobicContact CB-CD1 4.11Å; K256-L340 HydrophobicContact CB-CD2 4.1Å; K256-L340 HydrophobicContact CD-CD2 4.44Å; K256-F480 HydrophobicContact CD-CE1 4.3Å; K256-F480 VanDerWaalsContact NZ-CD1 3.28Å; K256-F480 PolarHBondContact NZ-O 3.04Å; K256-F480 PolarHBondContact NZ-OXT 3.23Å
257	E	95.8	Very high	94.5	Very high	11 Å²	11	69.4 Å²	69.4	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-42.5	177.6	176.6	57.3	-160.4	0	0	112.7	Y253 L254 E255 R259 R260 Q261 R335 L340 Y341	Y253-E257 VanDerWaalsContact O-CB 3.3Å; Y253-E257 WeakPolarHBondContact O-CB 3.4Å; Y253-E257 PolarHBondContact O-N 3Å; L254-E257 PolarHBondContact O-N 3.25Å; E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.75Å; E257-R259 VanDerWaalsContact C-N 3.32Å; E257-R259 PolarHBondContact O-N 3.35Å; E257-R260 WeakPolarHBondContact O-CB 3.01Å; E257-R260 PolarHBondContact O-N 3.11Å; E257-R260 IonicContact OE1-CZ 3.95Å; E257-R260 IonicContact OE1-NE 2.93Å; E257-R260 PolarHBondContact OE1-NE 2.82Å; E257-R260 IonicContact OE1-NH2 3.97Å; E257-R260 PolarHBondContact OE1-NH2 2.76Å; E257-R260 IonicContact OE2-CZ 3.3Å; E257-R260 IonicContact OE2-NE 3.56Å; E257-R260 PolarHBondContact OE2-NE 2.82Å; E257-R260 IonicContact OE2-NH2 2.75Å; E257-Q261 PolarHBondContact O-N 2.86Å; E257-R335 WeakPolarHBondContact OE1-CG 3.05Å; E257-R335 IonicContact OE1-NE 3.79Å; E257-L340 HydrophobicContact CB-CB 4.2Å; E257-Y341 HydrophobicContact CG-CD2 4.14Å
258	Q	95.4	Very high	94.7	Very high	107 Å²	107	71.1 Å²	71.1	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-41	174.2	-74.8	173.3	-12.2	0	0	111.4	L254 E255 Q261 Y262	L254-Q258 HydrophobicContact CD1-CG 4.4Å; L254-Q258 HydrophobicContact CG-CG 4.5Å; L254-Q258 WeakPolarHBondContact O-CB 3.35Å; L254-Q258 VanDerWaalsContact O-CG 3.28Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 2.55Å; E255-Q258 PolarHBondContact O-N 3.33Å; Q258-Q261 PolarHBondContact O-N 3.29Å; Q258-Y262 WeakPolarHBondContact O-CB 3.49Å; Q258-Y262 PolarHBondContact O-N 2.92Å
259	R	96.8	Very high	94.8	Very high	184 Å²	184	74 Å²	74	69%	0.694	34%	0.343	S	S	*	.	H	α-helix	trans	-63.3	-42.6	174.7	-174.6	176	-179.5	179.1	0.1	111.6	E255 K256 E257 Y262 L263	E255-R259 WeakPolarHBondContact O-CB 3.45Å; E255-R259 PolarHBondContact O-N 2.92Å; K256-R259 PolarHBondContact O-N 2.81Å; E257-R259 VanDerWaalsContact C-N 3.32Å; E257-R259 PolarHBondContact O-N 3.35Å; R259-Y262 PolarHBondContact O-N 2.75Å; R259-L263 HydrophobicContact CG-CD1 4.22Å; R259-L263 VanDerWaalsContact O-CG 3.3Å; R259-L263 WeakPolarHBondContact O-CG 3.28Å; R259-L263 PolarHBondContact O-N 3.01Å
260	R	96.7	Very high	95	Very high	18 Å²	18	78.2 Å²	78.2	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-53.5	174.1	-178.1	-153.4	62.2	70.4	2	110.6	K256 E257 Y262 L263 L264 D331 E334 K338 L340	K256-R260 PolarHBondContact O-N 3.13Å; E257-R260 WeakPolarHBondContact O-CB 3.01Å; E257-R260 PolarHBondContact O-N 3.11Å; E257-R260 IonicContact OE1-CZ 3.95Å; E257-R260 IonicContact OE1-NE 2.93Å; E257-R260 PolarHBondContact OE1-NE 2.82Å; E257-R260 IonicContact OE1-NH2 3.97Å; E257-R260 PolarHBondContact OE1-NH2 2.76Å; E257-R260 IonicContact OE2-CZ 3.3Å; E257-R260 IonicContact OE2-NE 3.56Å; E257-R260 PolarHBondContact OE2-NE 2.82Å; E257-R260 IonicContact OE2-NH2 2.75Å; R260-Y262 VanDerWaalsContact C-N 3.29Å; R260-Y262 PolarHBondContact O-N 3.36Å; R260-L263 PolarHBondContact O-N 3.04Å; R260-L263 VanDerWaalsContact O-N 3.15Å; R260-L264 PolarHBondContact O-N 2.88Å; R260-D331 IonicContact CZ-OD1 3.95Å; R260-D331 VanDerWaalsContact CZ-OD1 3.27Å; R260-D331 IonicContact NH1-OD1 2.92Å; R260-D331 PolarHBondContact NH1-OD1 3.25Å; R260-D331 IonicContact NH2-OD1 3.94Å; R260-D331 PolarHBondContact NH2-OD1 3.2Å; R260-D331 IonicContact NH2-OD2 2.7Å; R260-E334 IonicContact NH1-OE2 3.79Å; R260-E334 PolarHBondContact NH1-OE2 3.44Å; R260-K338 HydrophobicContact CG-CG 4.42Å; R260-L340 HydrophobicContact CB-CD1 4.22Å
261	Q	95.5	Very high	95.2	Very high	54 Å²	54	77.6 Å²	77.6	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-57.6	-41.9	179.6	-176.8	179.4	52.8	0	0	112	E257 Q258 L264 R265 D331	E257-Q261 PolarHBondContact O-N 2.86Å; Q258-Q261 PolarHBondContact O-N 3.29Å; Q261-L264 PolarHBondContact O-N 2.7Å; Q261-R265 WeakPolarHBondContact O-CG 3.48Å; Q261-R265 PolarHBondContact O-N 3.45Å; Q261-R265 VanDerWaalsContact O-N 3.12Å; Q261-D331 PolarHBondContact NE2-OD2 3.04Å
262	Y	94.1	Very high	95.4	Very high	140 Å²	140	78.3 Å²	78.3	55%	0.549	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-47	175.7	174.2	-105.6	0	0	0	112.3	Q258 R259 R260 L264 R265 L266	Q258-Y262 WeakPolarHBondContact O-CB 3.49Å; Q258-Y262 PolarHBondContact O-N 2.92Å; R259-Y262 PolarHBondContact O-N 2.75Å; R260-Y262 VanDerWaalsContact C-N 3.29Å; R260-Y262 PolarHBondContact O-N 3.36Å; Y262-L264 VanDerWaalsContact C-N 3.32Å; Y262-L264 PolarHBondContact O-N 3.46Å; Y262-R265 WeakPolarHBondContact O-CB 3.4Å; Y262-R265 PolarHBondContact O-N 3.42Å; Y262-L266 HydrophobicContact CD1-CD1 4.08Å; Y262-L266 HydrophobicContact CE1-CD1 3.41Å; Y262-L266 VanDerWaalsContact CE1-CD1 3.41Å; Y262-L266 HydrophobicContact CE1-CG 4.18Å; Y262-L266 HydrophobicContact CE2-CD1 4.31Å; Y262-L266 HydrophobicContact CE2-CD2 4.36Å; Y262-L266 HydrophobicContact CE2-CG 4.28Å; Y262-L266 PolarHBondContact O-N 2.86Å; Y262-L266 VanDerWaalsContact O-N 3.15Å
263	L	95.7	Very high	95.6	Very high	78 Å²	78	81 Å²	81	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-36.1	178.3	-69.2	171.8	0	0	0	112.3	R259 R260 L266 K267	R259-L263 HydrophobicContact CG-CD1 4.22Å; R259-L263 VanDerWaalsContact O-CG 3.3Å; R259-L263 WeakPolarHBondContact O-CG 3.28Å; R259-L263 PolarHBondContact O-N 3.01Å; R260-L263 PolarHBondContact O-N 3.04Å; R260-L263 VanDerWaalsContact O-N 3.15Å; L263-L266 PolarHBondContact O-N 3.25Å; L263-K267 WeakPolarHBondContact O-CG 3.35Å; L263-K267 PolarHBondContact O-N 3.33Å
264	L	95.7	Very high	95.8	Very high	32 Å²	32	80.4 Å²	80.4	17%	0.168	37%	0.371	C	S	.	.	H	α-helix	trans	-63	-44	175.2	-177	65.2	0	0	0	111.3	R260 Q261 Y262 L266 K267 D331 E334	R260-L264 PolarHBondContact O-N 2.88Å; Q261-L264 PolarHBondContact O-N 2.7Å; Y262-L264 VanDerWaalsContact C-N 3.32Å; Y262-L264 PolarHBondContact O-N 3.46Å; L264-L266 PolarHBondContact O-N 3.22Å; L264-K267 PolarHBondContact O-N 3.02Å; L264-D331 HydrophobicContact CD2-CB 3.86Å; L264-E334 WeakPolarHBondContact CD1-OE2 3.43Å; L264-E334 HydrophobicContact CD2-CB 4.49Å; L264-E334 WeakPolarHBondContact CD2-OE2 3.45Å
265	R	93.4	Very high	96	Very high	115 Å²	115	79.1 Å²	79.1	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-58.6	-45.1	175.9	-73.2	171	-168.7	-177.8	8	112.2	Q261 Y262 K267 N268 L271 H327	Q261-R265 WeakPolarHBondContact O-CG 3.48Å; Q261-R265 PolarHBondContact O-N 3.45Å; Q261-R265 VanDerWaalsContact O-N 3.12Å; Y262-R265 WeakPolarHBondContact O-CB 3.4Å; Y262-R265 PolarHBondContact O-N 3.42Å; R265-K267 VanDerWaalsContact C-N 3.25Å; R265-K267 PolarHBondContact O-N 3.07Å; R265-N268 PolarHBondContact O-N 2.88Å; R265-L271 HydrophobicContact CB-CD2 4.41Å; R265-L271 HydrophobicContact CG-CD2 4.29Å; R265-H327 WeakPolarHBondContact CG-NE2 3.46Å
266	L	92.1	Very high	96.1	Very high	94 Å²	94	74 Å²	74	49%	0.492	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-28.4	-179.3	-71.2	-177.8	0	0	0	113.7	Y262 L263 L264 N268	Y262-L266 HydrophobicContact CD1-CD1 4.08Å; Y262-L266 HydrophobicContact CE1-CD1 3.41Å; Y262-L266 VanDerWaalsContact CE1-CD1 3.41Å; Y262-L266 HydrophobicContact CE1-CG 4.18Å; Y262-L266 HydrophobicContact CE2-CD1 4.31Å; Y262-L266 HydrophobicContact CE2-CD2 4.36Å; Y262-L266 HydrophobicContact CE2-CG 4.28Å; Y262-L266 PolarHBondContact O-N 2.86Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; L263-L266 PolarHBondContact O-N 3.25Å; L264-L266 PolarHBondContact O-N 3.22Å; L266-N268 VanDerWaalsContact C-N 3.31Å
267	K	95.4	Very high	96.2	Very high	170 Å²	170	74 Å²	74	74%	0.739	34%	0.344	S	S	*	.	H	α-helix	trans	-78	-15.2	179.1	-71.1	175	-178.2	-177.9	0	113.2	L263 L264 R265 S269	L263-K267 WeakPolarHBondContact O-CG 3.35Å; L263-K267 PolarHBondContact O-N 3.33Å; L264-K267 PolarHBondContact O-N 3.02Å; R265-K267 VanDerWaalsContact C-N 3.25Å; R265-K267 PolarHBondContact O-N 3.07Å; K267-S269 PolarHBondContact O-N 3.48Å
268	N	96.2	Very high	96.3	Very high	35 Å²	35	73.5 Å²	73.5	19%	0.187	34%	0.342	C	S	.	.			trans	-93.3	95.1	-174.3	-168.4	-38.1	0	0	0	111.2	R265 L266 Q270 L271 E272	R265-N268 PolarHBondContact O-N 2.88Å; L266-N268 VanDerWaalsContact C-N 3.31Å; N268-Q270 VanDerWaalsContact C-N 3.33Å; N268-Q270 PolarHBondContact O-N 3.07Å; N268-Q270 PolarHBondContact OD1-N 3.5Å; N268-L271 HydrophobicContact CB-CB 3.82Å; N268-L271 HydrophobicContact CB-CD2 4.45Å; N268-L271 WeakPolarHBondContact O-CB 3.13Å; N268-L271 PolarHBondContact O-N 2.57Å; N268-L271 WeakPolarHBondContact OD1-CB 3.44Å; N268-L271 PolarHBondContact OD1-N 3.38Å; N268-E272 PolarHBondContact O-N 2.96Å
269	S	96.8	Very high	96.5	Very high	99 Å²	99	68.6 Å²	68.6	69%	0.692	32%	0.319	S	S	*	.	H	α-helix	trans	-64.2	-34.3	-179.5	57.4	0	0	0	0	113.3	K267 E272 K273	K267-S269 PolarHBondContact O-N 3.48Å; S269-E272 PolarHBondContact O-N 3.36Å; S269-K273 WeakPolarHBondContact O-CB 3.39Å; S269-K273 PolarHBondContact O-N 2.89Å
270	Q	97.1	Very high	96.5	Very high	91 Å²	91	67.3 Å²	67.3	43%	0.425	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-40.6	177.1	-177	56.7	41.7	0	0	111.2	N268 K273 T274 V323	N268-Q270 VanDerWaalsContact C-N 3.33Å; N268-Q270 PolarHBondContact O-N 3.07Å; N268-Q270 PolarHBondContact OD1-N 3.5Å; Q270-K273 PolarHBondContact O-N 3.26Å; Q270-T274 PolarHBondContact NE2-OG1 3.19Å; Q270-T274 WeakPolarHBondContact O-CB 3.48Å; Q270-T274 PolarHBondContact O-N 3.26Å; Q270-T274 PolarHBondContact O-OG1 2.84Å; Q270-V323 HydrophobicContact CG-CG1 3.99Å; Q270-V323 HydrophobicContact CG-CG2 4.19Å
271	L	97.1	Very high	96.6	Very high	8 Å²	8	67.3 Å²	67.3	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-45.8	173.4	-171.9	70.7	0	0	0	110.9	R265 N268 K273 T274 Y275 V323 I324 H327	R265-L271 HydrophobicContact CB-CD2 4.41Å; R265-L271 HydrophobicContact CG-CD2 4.29Å; N268-L271 HydrophobicContact CB-CB 3.82Å; N268-L271 HydrophobicContact CB-CD2 4.45Å; N268-L271 WeakPolarHBondContact O-CB 3.13Å; N268-L271 PolarHBondContact O-N 2.57Å; N268-L271 WeakPolarHBondContact OD1-CB 3.44Å; N268-L271 PolarHBondContact OD1-N 3.38Å; L271-K273 PolarHBondContact O-N 2.85Å; L271-T274 PolarHBondContact O-N 3.07Å; L271-Y275 HydrophobicContact CD1-CD2 3.98Å; L271-Y275 HydrophobicContact CD1-CE2 3.64Å; L271-Y275 HydrophobicContact CD2-CE2 4.35Å; L271-Y275 HydrophobicContact CG-CD2 3.85Å; L271-Y275 HydrophobicContact CG-CE2 3.81Å; L271-Y275 WeakPolarHBondContact O-CD2 3.23Å; L271-Y275 PolarHBondContact O-N 3.16Å; L271-V323 HydrophobicContact CD1-CG1 4.22Å; L271-I324 HydrophobicContact CD1-CG1 4.09Å; L271-H327 HydrophobicContact CD1-CB 4.03Å; L271-H327 HydrophobicContact CD2-CB 4.28Å; L271-H327 VanDerWaalsContact CD2-CD2 3.45Å; L271-H327 WeakPolarHBondContact CD2-CD2 3.29Å
272	E	96.4	Very high	96.7	Very high	82 Å²	82	64.9 Å²	64.9	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-55.6	-49.7	176.2	-176.7	64.5	-140.3	0	0	111.2	N268 S269 Y275 G276 R290	N268-E272 PolarHBondContact O-N 2.96Å; S269-E272 PolarHBondContact O-N 3.36Å; E272-Y275 PolarHBondContact O-N 2.84Å; E272-G276 PolarHBondContact O-N 2.66Å; E272-R290 IonicContact OE1-CZ 2.79Å; E272-R290 IonicContact OE1-NH1 3.71Å; E272-R290 PolarHBondContact OE1-NH1 3.06Å; E272-R290 VanDerWaalsContact OE1-NH1 3.08Å; E272-R290 IonicContact OE1-NH2 3.77Å; E272-R290 PolarHBondContact OE1-NH2 3.46Å; E272-R290 IonicContact OE2-CZ 3.47Å; E272-R290 IonicContact OE2-NE 3.91Å; E272-R290 IonicContact OE2-NH1 3.16Å; E272-R290 PolarHBondContact OE2-NH1 2.9Å; E272-R290 IonicContact OE2-NH2 3.74Å; E272-R290 PolarHBondContact OE2-NH2 2.84Å
273	K	97.9	Very high	96.9	Very high	122 Å²	122	62.1 Å²	62.1	53%	0.53	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-47.9	176.9	-175.9	-178.2	174.2	-172	0	111.9	S269 Q270 L271 Y275 G276 E277	S269-K273 WeakPolarHBondContact O-CB 3.39Å; S269-K273 PolarHBondContact O-N 2.89Å; Q270-K273 PolarHBondContact O-N 3.26Å; L271-K273 PolarHBondContact O-N 2.85Å; K273-Y275 PolarHBondContact O-N 3.46Å; K273-G276 CarbonylContact O-C 3.58Å; K273-G276 WeakPolarHBondContact O-CA 3.49Å; K273-G276 PolarHBondContact O-N 3.45Å; K273-E277 WeakPolarHBondContact CE-OE1 3.47Å; K273-E277 IonicContact NZ-OE1 3.97Å; K273-E277 WeakPolarHBondContact O-CG 3.44Å; K273-E277 PolarHBondContact O-N 3.38Å
274	T	98.2	Very high	97	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-46	-179.7	-57.6	0	0	0	0	111.3	Q270 L271 G276 E277 M278 H320 V323	Q270-T274 PolarHBondContact NE2-OG1 3.19Å; Q270-T274 WeakPolarHBondContact O-CB 3.48Å; Q270-T274 PolarHBondContact O-N 3.26Å; Q270-T274 PolarHBondContact O-OG1 2.84Å; L271-T274 PolarHBondContact O-N 3.07Å; T274-G276 VanDerWaalsContact C-N 3.29Å; T274-G276 PolarHBondContact O-N 2.01Å; T274-E277 PolarHBondContact O-N 3.06Å; T274-M278 HydrophobicContact CG2-SD 4.22Å; T274-M278 VanDerWaalsContact O-CG 3.32Å; T274-M278 WeakPolarHBondContact O-CG 3.38Å; T274-M278 PolarHBondContact O-N 3.17Å; T274-H320 HydrophobicContact CG2-CB 4.03Å; T274-V323 HydrophobicContact CG2-CB 4.12Å; T274-V323 HydrophobicContact CG2-CG1 4.29Å; T274-V323 WeakPolarHBondContact OG1-CG1 3.47Å
275	Y	97.9	Very high	97.1	Very high	23 Å²	23	61.8 Å²	61.8	9%	0.09	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-36.2	174.2	-88.8	-78.4	0	0	0	112.1	L271 E272 K273 A279 L289 R290 P294 I324	L271-Y275 HydrophobicContact CD1-CD2 3.98Å; L271-Y275 HydrophobicContact CD1-CE2 3.64Å; L271-Y275 HydrophobicContact CD2-CE2 4.35Å; L271-Y275 HydrophobicContact CG-CD2 3.85Å; L271-Y275 HydrophobicContact CG-CE2 3.81Å; L271-Y275 WeakPolarHBondContact O-CD2 3.23Å; L271-Y275 PolarHBondContact O-N 3.16Å; E272-Y275 PolarHBondContact O-N 2.84Å; K273-Y275 PolarHBondContact O-N 3.46Å; Y275-A279 WeakPolarHBondContact O-CB 3.23Å; Y275-A279 PolarHBondContact O-N 3Å; Y275-L289 HydrophobicContact CD1-CD2 4Å; Y275-L289 HydrophobicContact CD1-CG 4.08Å; Y275-L289 HydrophobicContact CE1-CG 4.47Å; Y275-L289 WeakPolarHBondContact O-CD2 3.33Å; Y275-R290 HydrophobicContact CD1-CG 3.59Å; Y275-R290 HydrophobicContact CD2-CG 4.34Å; Y275-R290 HydrophobicContact CE1-CB 4.44Å; Y275-R290 HydrophobicContact CE1-CG 3.81Å; Y275-R290 HydrophobicContact CG-CG 3.89Å; Y275-P294 HydrophobicContact CE1-CG 3.56Å; Y275-I324 HydrophobicContact CE2-CG1 4.26Å
276	G	98.1	Very high	97.2	Very high	16 Å²	16	58.3 Å²	58.3	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-40	175	0	0	0	0	0	113.3	E272 K273 T274 A279 K280	E272-G276 PolarHBondContact O-N 2.66Å; K273-G276 CarbonylContact O-C 3.58Å; K273-G276 WeakPolarHBondContact O-CA 3.49Å; K273-G276 PolarHBondContact O-N 3.45Å; T274-G276 VanDerWaalsContact C-N 3.29Å; T274-G276 PolarHBondContact O-N 2.01Å; G276-A279 PolarHBondContact O-N 2.86Å; G276-K280 WeakPolarHBondContact O-CG 3.27Å; G276-K280 PolarHBondContact O-N 3.47Å; G276-K280 VanDerWaalsContact O-N 3.16Å
277	E	98.3	Very high	97.3	Very high	74 Å²	74	62.2 Å²	62.2	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-50.7	175.4	-72.3	169.7	170.9	0	0	111.3	K273 T274 A279 K280 I281	K273-E277 WeakPolarHBondContact CE-OE1 3.47Å; K273-E277 IonicContact NZ-OE1 3.97Å; K273-E277 WeakPolarHBondContact O-CG 3.44Å; K273-E277 PolarHBondContact O-N 3.38Å; T274-E277 PolarHBondContact O-N 3.06Å; E277-A279 VanDerWaalsContact C-N 3.26Å; E277-A279 PolarHBondContact O-N 3.31Å; E277-K280 WeakPolarHBondContact O-CB 3.3Å; E277-K280 PolarHBondContact O-N 3.24Å; E277-K280 VanDerWaalsContact O-N 3.14Å; E277-I281 PolarHBondContact O-N 3.39Å
278	M	98.4	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-41	174.7	-68.1	174.2	71.1	0	0	111.8	T274 K280 I281 V282 L289 P294 M298 V316 H320 I324	T274-M278 HydrophobicContact CG2-SD 4.22Å; T274-M278 VanDerWaalsContact O-CG 3.32Å; T274-M278 WeakPolarHBondContact O-CG 3.38Å; T274-M278 PolarHBondContact O-N 3.17Å; M278-K280 VanDerWaalsContact C-N 3.31Å; M278-K280 PolarHBondContact O-N 3.4Å; M278-I281 WeakPolarHBondContact O-CB 3.47Å; M278-I281 PolarHBondContact O-N 3.39Å; M278-V282 WeakPolarHBondContact O-CG2 2.94Å; M278-V282 PolarHBondContact O-N 2.81Å; M278-L289 HydrophobicContact CB-CD2 3.32Å; M278-L289 HydrophobicContact CE-CD2 4.44Å; M278-P294 HydrophobicContact CE-CB 3.89Å; M278-P294 HydrophobicContact CE-CG 4.1Å; M278-M298 HydrophobicContact CE-SD 3.85Å; M278-V316 HydrophobicContact CE-CG1 3.94Å; M278-V316 HydrophobicContact CE-CG2 4.26Å; M278-H320 HydrophobicContact CG-CB 4.04Å; M278-H320 WeakPolarHBondContact CG-CD2 3.36Å; M278-H320 HydrophobicContact SD-CB 3.88Å; M278-I324 HydrophobicContact CE-CD1 4.13Å; M278-I324 HydrophobicContact SD-CD1 3.7Å
279	A	98.3	Very high	97.4	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-36	179.7	0	0	0	0	0	112.4	Y275 G276 E277 D283 V284 T286 L289	Y275-A279 WeakPolarHBondContact O-CB 3.23Å; Y275-A279 PolarHBondContact O-N 3Å; G276-A279 PolarHBondContact O-N 2.86Å; E277-A279 VanDerWaalsContact C-N 3.26Å; E277-A279 PolarHBondContact O-N 3.31Å; A279-D283 WeakPolarHBondContact O-CA 3.33Å; A279-D283 PolarHBondContact O-N 3.42Å; A279-V284 WeakPolarHBondContact CB-O 3.46Å; A279-V284 PolarHBondContact O-N 3.17Å; A279-T286 HydrophobicContact CB-CG2 4.49Å; A279-L289 HydrophobicContact CB-CB 4.37Å; A279-L289 HydrophobicContact CB-CD2 4.02Å
280	K	98.3	Very high	97.2	Very high	158 Å²	158	56.7 Å²	56.7	69%	0.687	27%	0.273	S	S	*	.	H	α-helix	trans	-67.9	-41.6	172.1	-69.7	170.8	-176.7	178.7	0	112.1	G276 E277 M278 V282 D283 N313	G276-K280 WeakPolarHBondContact O-CG 3.27Å; G276-K280 PolarHBondContact O-N 3.47Å; G276-K280 VanDerWaalsContact O-N 3.16Å; E277-K280 WeakPolarHBondContact O-CB 3.3Å; E277-K280 PolarHBondContact O-N 3.24Å; E277-K280 VanDerWaalsContact O-N 3.14Å; M278-K280 VanDerWaalsContact C-N 3.31Å; M278-K280 PolarHBondContact O-N 3.4Å; K280-V282 VanDerWaalsContact C-N 3.31Å; K280-V282 PolarHBondContact O-N 3.44Å; K280-D283 PolarHBondContact O-N 2.89Å; K280-N313 PolarHBondContact O-ND2 3.09Å; K280-N313 VanDerWaalsContact O-ND2 3.17Å
281	I	98.2	Very high	97	Very high	18 Å²	18	56.2 Å²	56.2	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-47.9	175.5	-71	158.8	0	0	0	109.8	E277 M278 D283 T311 G314 C315 V316	E277-I281 PolarHBondContact O-N 3.39Å; M278-I281 WeakPolarHBondContact O-CB 3.47Å; M278-I281 PolarHBondContact O-N 3.39Å; I281-D283 VanDerWaalsContact C-N 3.34Å; I281-T311 HydrophobicContact CG2-CG2 4.33Å; I281-T311 WeakPolarHBondContact O-CB 3.33Å; I281-T311 WeakPolarHBondContact O-CG2 3.33Å; I281-T311 PolarHBondContact O-OG1 2.68Å; I281-G314 WeakPolarHBondContact CG2-O 3.28Å; I281-C315 VanDerWaalsContact CD1-O 3.3Å; I281-C315 WeakPolarHBondContact CD1-O 3.49Å; I281-V316 HydrophobicContact CG2-CG2 4.38Å
282	V	97.4	Very high	96.8	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.1	-178	-59.4	0	0	0	0	114.4	I106 P107 K108 T109 M278 K280 V284 L289 T311	I106-V282 HydrophobicContact CG2-CG1 3.75Å; P107-V282 WeakPolarHBondContact O-CB 3.43Å; K108-V282 WeakPolarHBondContact CB-O 3.33Å; K108-V282 WeakPolarHBondContact CD-O 3.28Å; T109-V282 HydrophobicContact CG2-CG1 3.74Å; M278-V282 WeakPolarHBondContact O-CG2 2.94Å; M278-V282 PolarHBondContact O-N 2.81Å; K280-V282 VanDerWaalsContact C-N 3.31Å; K280-V282 PolarHBondContact O-N 3.44Å; V282-V284 HydrophobicContact CG2-CG2 3.57Å; V282-V284 PolarHBondContact O-N 3.45Å; V282-L289 HydrophobicContact CG2-CD1 4.27Å; V282-T311 HydrophobicContact CG1-CG2 4.23Å
283	D	97.3	Very high	96.6	Very high	82 Å²	82	55.5 Å²	55.5	44%	0.439	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	48.7	178.1	-175.5	49.7	0	0	0	113.2	K108 A279 K280 I281	K108-D283 HydrophobicContact CD-CB 4.37Å; K108-D283 PolarHBondContact NZ-O 3.06Å; K108-D283 IonicContact NZ-OD2 2.75Å; K108-D283 PolarHBondContact NZ-OD2 3.27Å; A279-D283 WeakPolarHBondContact O-CA 3.33Å; A279-D283 PolarHBondContact O-N 3.42Å; K280-D283 PolarHBondContact O-N 2.89Å; I281-D283 VanDerWaalsContact C-N 3.34Å
284	V	97.8	Very high	96.5	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	26%	0.26	C	S	.	.	S	Bend	trans	-132.5	161.7	173.8	-60.7	0	0	0	0	111.7	P107 K108 A279 V282 L289	P107-V284 HydrophobicContact CB-CG1 4.06Å; K108-V284 HydrophobicContact CD-CG1 3.83Å; K108-V284 HydrophobicContact CG-CG1 4.29Å; A279-V284 WeakPolarHBondContact CB-O 3.46Å; A279-V284 PolarHBondContact O-N 3.17Å; V282-V284 HydrophobicContact CG2-CG2 3.57Å; V282-V284 PolarHBondContact O-N 3.45Å; V284-L289 HydrophobicContact CG2-CB 4.05Å
285	P	97.9	Very high	96.4	Very high	86 Å²	86	49.9 Å²	49.9	56%	0.558	26%	0.261	S	S	*	.			trans	-60.7	140.8	169.4	-23.6	34.8	0	0	0	112.2	K287 Q288 L289	P285-K287 PolarHBondContact O-N 3.02Å; P285-K287 VanDerWaalsContact O-N 3.14Å; P285-Q288 WeakPolarHBondContact O-CA 3.4Å; P285-Q288 WeakPolarHBondContact O-CB 3.28Å; P285-Q288 PolarHBondContact O-N 3.29Å; P285-L289 PolarHBondContact O-N 3.23Å; P285-L289 VanDerWaalsContact O-N 3.17Å
286	T	96.6	Very high	96.3	Very high	41 Å²	41	49.5 Å²	49.5	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-54.6	-37.4	-179.8	-46.9	0	0	0	0	113.3	A279 Q288 L289 R290	A279-T286 HydrophobicContact CB-CG2 4.49Å; T286-Q288 VanDerWaalsContact C-N 3.32Å; T286-Q288 PolarHBondContact O-N 3.08Å; T286-L289 PolarHBondContact O-N 3.09Å; T286-R290 WeakPolarHBondContact O-CG 3.47Å; T286-R290 PolarHBondContact O-N 3.4Å
287	K	94.4	Very high	96.2	Very high	176 Å²	176	48.8 Å²	48.8	77%	0.765	25%	0.254	S	S	*	.	H	α-helix	trans	-61.5	-39.6	176.1	-174.3	179.1	178.6	-178	0	112.2	P285 R290 A291	P285-K287 PolarHBondContact O-N 3.02Å; P285-K287 VanDerWaalsContact O-N 3.14Å; K287-R290 PolarHBondContact O-N 3.05Å; K287-A291 PolarHBondContact O-N 3.34Å; K287-A291 VanDerWaalsContact O-N 3.14Å
288	Q	96.3	Very high	96.1	Very high	101 Å²	101	45.3 Å²	45.3	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-67.4	-43.3	177.3	-176.1	-179.8	-3.6	0	0	110.8	P285 T286 R290 A291 A292	P285-Q288 WeakPolarHBondContact O-CA 3.4Å; P285-Q288 WeakPolarHBondContact O-CB 3.28Å; P285-Q288 PolarHBondContact O-N 3.29Å; T286-Q288 VanDerWaalsContact C-N 3.32Å; T286-Q288 PolarHBondContact O-N 3.08Å; Q288-R290 VanDerWaalsContact C-N 3.35Å; Q288-R290 PolarHBondContact O-N 3.21Å; Q288-A291 PolarHBondContact O-N 3.29Å; Q288-A292 PolarHBondContact O-N 2.98Å; Q288-A292 VanDerWaalsContact O-N 3.09Å
289	L	96.4	Very high	96.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-41.7	176.6	-179.3	65.4	0	0	0	112	I106 Y275 M278 A279 V282 V284 P285 T286 A291 A292 P294	I106-L289 HydrophobicContact CG2-CD1 4.07Å; Y275-L289 HydrophobicContact CD1-CD2 4Å; Y275-L289 HydrophobicContact CD1-CG 4.08Å; Y275-L289 HydrophobicContact CE1-CG 4.47Å; Y275-L289 WeakPolarHBondContact O-CD2 3.33Å; M278-L289 HydrophobicContact CB-CD2 3.32Å; M278-L289 HydrophobicContact CE-CD2 4.44Å; A279-L289 HydrophobicContact CB-CB 4.37Å; A279-L289 HydrophobicContact CB-CD2 4.02Å; V282-L289 HydrophobicContact CG2-CD1 4.27Å; V284-L289 HydrophobicContact CG2-CB 4.05Å; P285-L289 PolarHBondContact O-N 3.23Å; P285-L289 VanDerWaalsContact O-N 3.17Å; T286-L289 PolarHBondContact O-N 3.09Å; L289-A291 VanDerWaalsContact C-N 3.35Å; L289-A291 PolarHBondContact O-N 3.16Å; L289-A292 WeakPolarHBondContact O-CB 3.46Å; L289-A292 PolarHBondContact O-N 3.33Å; L289-A292 VanDerWaalsContact O-N 3.15Å; L289-P294 HydrophobicContact CD1-CB 4.44Å; L289-P294 WeakPolarHBondContact O-CD 3.32Å
290	R	92.8	Very high	96	Very high	87 Å²	87	45.9 Å²	45.9	33%	0.328	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-44.9	175.4	-75.9	-178.1	-177.5	126.3	29.5	112.4	E272 Y275 T286 K287 Q288 A292 N293	E272-R290 IonicContact OE1-CZ 2.79Å; E272-R290 IonicContact OE1-NH1 3.71Å; E272-R290 PolarHBondContact OE1-NH1 3.06Å; E272-R290 VanDerWaalsContact OE1-NH1 3.08Å; E272-R290 IonicContact OE1-NH2 3.77Å; E272-R290 PolarHBondContact OE1-NH2 3.46Å; E272-R290 IonicContact OE2-CZ 3.47Å; E272-R290 IonicContact OE2-NE 3.91Å; E272-R290 IonicContact OE2-NH1 3.16Å; E272-R290 PolarHBondContact OE2-NH1 2.9Å; E272-R290 IonicContact OE2-NH2 3.74Å; E272-R290 PolarHBondContact OE2-NH2 2.84Å; Y275-R290 HydrophobicContact CD1-CG 3.59Å; Y275-R290 HydrophobicContact CD2-CG 4.34Å; Y275-R290 HydrophobicContact CE1-CB 4.44Å; Y275-R290 HydrophobicContact CE1-CG 3.81Å; Y275-R290 HydrophobicContact CG-CG 3.89Å; T286-R290 WeakPolarHBondContact O-CG 3.47Å; T286-R290 PolarHBondContact O-N 3.4Å; K287-R290 PolarHBondContact O-N 3.05Å; Q288-R290 VanDerWaalsContact C-N 3.35Å; Q288-R290 PolarHBondContact O-N 3.21Å; R290-A292 PolarHBondContact O-N 3.49Å; R290-N293 PolarHBondContact O-N 2.97Å; R290-N293 VanDerWaalsContact O-N 3.15Å
291	A	92.1	Very high	95.9	Very high	81 Å²	81	38.6 Å²	38.6	67%	0.669	21%	0.209	S	C	*	.	H	α-helix	trans	-64.2	-26.3	178.1	0	0	0	0	0	112.5	K287 Q288 L289 N293	K287-A291 PolarHBondContact O-N 3.34Å; K287-A291 VanDerWaalsContact O-N 3.14Å; Q288-A291 PolarHBondContact O-N 3.29Å; L289-A291 VanDerWaalsContact C-N 3.35Å; L289-A291 PolarHBondContact O-N 3.16Å; A291-N293 PolarHBondContact O-N 3.42Å
292	A	93.4	Very high	95.8	Very high	15 Å²	15	39 Å²	39	12%	0.124	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.9	176.3	0	0	0	0	0	114.2	Y104 P107 Q288 L289 R290	Y104-A292 VanDerWaalsContact CB-O 3.24Å; Y104-A292 WeakPolarHBondContact CB-O 3.49Å; P107-A292 HydrophobicContact CG-CB 3.8Å; Q288-A292 PolarHBondContact O-N 2.98Å; Q288-A292 VanDerWaalsContact O-N 3.09Å; L289-A292 WeakPolarHBondContact O-CB 3.46Å; L289-A292 PolarHBondContact O-N 3.33Å; L289-A292 VanDerWaalsContact O-N 3.15Å; R290-A292 PolarHBondContact O-N 3.49Å
293	N	93.5	Very high	95.7	Very high	59 Å²	59	39.5 Å²	39.5	32%	0.316	21%	0.214	S	C	.	.			trans	45.6	60.2	174.4	-169.9	31.8	0	0	0	113.7	Y104 R290 A291 I295 D296	Y104-N293 HydrophobicContact CD1-CB 4.47Å; Y104-N293 HydrophobicContact CD2-CB 4.05Å; Y104-N293 HydrophobicContact CE2-CB 4.45Å; Y104-N293 HydrophobicContact CG-CB 4.06Å; R290-N293 PolarHBondContact O-N 2.97Å; R290-N293 VanDerWaalsContact O-N 3.15Å; A291-N293 PolarHBondContact O-N 3.42Å; N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 WeakPolarHBondContact OD1-CG2 3.15Å; N293-D296 PolarHBondContact O-N 3.32Å
294	P	95.6	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-24.3	-166.1	24.5	-35.5	0	0	0	113.6	I106 Y275 M278 L289 D296 S297 M298 I324	I106-P294 HydrophobicContact CD1-CB 4.17Å; I106-P294 HydrophobicContact CG1-CB 3.91Å; Y275-P294 HydrophobicContact CE1-CG 3.56Å; M278-P294 HydrophobicContact CE-CB 3.89Å; M278-P294 HydrophobicContact CE-CG 4.1Å; L289-P294 HydrophobicContact CD1-CB 4.44Å; L289-P294 WeakPolarHBondContact O-CD 3.32Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.99Å; P294-S297 PolarHBondContact O-N 2.77Å; P294-S297 VanDerWaalsContact O-N 3.14Å; P294-M298 HydrophobicContact CB-SD 4.32Å; P294-M298 VanDerWaalsContact O-CG 3.26Å; P294-M298 WeakPolarHBondContact O-CG 3.47Å; P294-M298 PolarHBondContact O-N 3.27Å; P294-I324 HydrophobicContact CG-CD1 4.2Å
295	I	95.7	Very high	95.5	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-32.5	-179.5	-165.8	56.1	0	0	0	113.5	N293 M298 L299 F321 I324 K325	N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 WeakPolarHBondContact OD1-CG2 3.15Å; I295-M298 PolarHBondContact O-N 3.32Å; I295-L299 HydrophobicContact CD1-CG 4.4Å; I295-L299 HydrophobicContact CG1-CD1 4.19Å; I295-L299 HydrophobicContact CG1-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.24Å; I295-L299 VanDerWaalsContact O-CG 3.28Å; I295-L299 WeakPolarHBondContact O-CG 3.23Å; I295-L299 PolarHBondContact O-N 3.25Å; I295-F321 HydrophobicContact CD1-CD2 3.87Å; I295-F321 HydrophobicContact CD1-CE2 3.58Å; I295-F321 HydrophobicContact CD1-CZ 4.42Å; I295-I324 HydrophobicContact CB-CG2 3.83Å; I295-I324 HydrophobicContact CD1-CB 4.31Å; I295-I324 HydrophobicContact CD1-CG2 3.9Å; I295-I324 HydrophobicContact CG1-CG2 3.99Å; I295-K325 HydrophobicContact CD1-CB 4.43Å
296	D	95.4	Very high	95.4	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-41.7	177.2	-179.2	71.1	0	0	0	111.3	R100 L103 Y104 N293 P294 C300	R100-D296 IonicContact CZ-OD1 3.91Å; R100-D296 IonicContact NH1-OD1 2.8Å; R100-D296 PolarHBondContact NH1-OD1 2.99Å; R100-D296 IonicContact NH1-OD2 3.63Å; R100-D296 PolarHBondContact NH1-OD2 3.45Å; R100-D296 IonicContact NH2-OD1 3.28Å; R100-D296 PolarHBondContact NH2-OD1 3.14Å; L103-D296 WeakPolarHBondContact CA-OD2 3.4Å; L103-D296 WeakPolarHBondContact CB-OD2 3.17Å; L103-D296 PolarHBondContact N-OD2 3.27Å; Y104-D296 HydrophobicContact CD2-CB 4.06Å; Y104-D296 PolarHBondContact N-OD2 3.32Å; Y104-D296 VanDerWaalsContact N-OD2 3.13Å; N293-D296 PolarHBondContact O-N 3.32Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.99Å; D296-C300 PolarHBondContact O-N 3.25Å
297	S	96	Very high	95.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-46.8	173.2	-177.7	0	0	0	0	111.3	Y104 P294 L299 C300 H301	Y104-S297 WeakPolarHBondContact O-CB 3.12Å; P294-S297 PolarHBondContact O-N 2.77Å; P294-S297 VanDerWaalsContact O-N 3.14Å; S297-L299 PolarHBondContact O-N 3.27Å; S297-C300 WeakPolarHBondContact O-CB 3.47Å; S297-C300 PolarHBondContact O-N 3.28Å; S297-C300 VanDerWaalsContact O-N 3.13Å; S297-H301 PolarHBondContact O-CD2 2.79Å; S297-H301 VanDerWaalsContact O-CD2 3.27Å; S297-H301 PolarHBondContact O-N 2.76Å
298	M	97.4	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-39.1	-179.5	-62.3	172.8	78.5	0	0	112.1	I106 M278 P294 I295 C300 H301 L302 F308 V316 H320 F321 I324	I106-M298 HydrophobicContact CD1-CG 3.94Å; M278-M298 HydrophobicContact CE-SD 3.85Å; P294-M298 HydrophobicContact CB-SD 4.32Å; P294-M298 VanDerWaalsContact O-CG 3.26Å; P294-M298 WeakPolarHBondContact O-CG 3.47Å; P294-M298 PolarHBondContact O-N 3.27Å; I295-M298 PolarHBondContact O-N 3.32Å; M298-C300 VanDerWaalsContact C-N 3.29Å; M298-C300 PolarHBondContact O-N 3.01Å; M298-H301 PolarHBondContact O-N 3.34Å; M298-L302 WeakPolarHBondContact O-CB 3.28Å; M298-L302 PolarHBondContact O-N 2.75Å; M298-F308 HydrophobicContact CB-CD1 4.35Å; M298-F308 HydrophobicContact CB-CE1 3.79Å; M298-F308 HydrophobicContact CB-CZ 4.5Å; M298-F308 HydrophobicContact CE-CE1 4.41Å; M298-F308 HydrophobicContact CE-CZ 4.45Å; M298-F308 HydrophobicContact CG-CD1 4.4Å; M298-F308 HydrophobicContact CG-CE1 4.27Å; M298-F308 WeakPolarHBondContact O-CE1 3.32Å; M298-V316 HydrophobicContact CE-CG1 3.54Å; M298-V316 HydrophobicContact SD-CG1 4.17Å; M298-H320 HydrophobicContact CE-CB 4.26Å; M298-F321 HydrophobicContact CB-CD2 3.72Å; M298-F321 HydrophobicContact CB-CE2 4.15Å; M298-F321 VanDerWaalsContact CE-CA 3.42Å; M298-F321 HydrophobicContact CE-CB 3.54Å; M298-F321 HydrophobicContact CE-CD2 4.02Å; M298-F321 HydrophobicContact CE-CG 4.29Å; M298-I324 HydrophobicContact SD-CD1 4.11Å
299	L	96.6	Very high	95.3	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-41	173.3	-79.9	167.4	0	0	0	111.6	A64 Y67 I295 S297 L302 C303 F321	A64-L299 HydrophobicContact CB-CD2 3.8Å; Y67-L299 HydrophobicContact CD1-CD1 4.41Å; Y67-L299 HydrophobicContact CD1-CD2 4.04Å; Y67-L299 HydrophobicContact CE1-CB 4.34Å; Y67-L299 HydrophobicContact CE1-CD1 4.02Å; Y67-L299 HydrophobicContact CE1-CD2 4.33Å; Y67-L299 HydrophobicContact CE1-CG 4.48Å; I295-L299 HydrophobicContact CD1-CG 4.4Å; I295-L299 HydrophobicContact CG1-CD1 4.19Å; I295-L299 HydrophobicContact CG1-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.24Å; I295-L299 VanDerWaalsContact O-CG 3.28Å; I295-L299 WeakPolarHBondContact O-CG 3.23Å; I295-L299 PolarHBondContact O-N 3.25Å; S297-L299 PolarHBondContact O-N 3.27Å; L299-L302 PolarHBondContact O-N 2.71Å; L299-C303 WeakPolarHBondContact O-CB 3.16Å; L299-C303 PolarHBondContact O-N 2.87Å; L299-C303 PolarHBondContact O-SG 3.23Å; L299-F321 HydrophobicContact CD2-CE2 4.01Å; L299-F321 HydrophobicContact CD2-CZ 3.82Å; L299-F321 HydrophobicContact CG-CE2 4.17Å; L299-F321 HydrophobicContact CG-CZ 4.48Å
300	C	96.1	Very high	95.3	Very high	5 Å²	5	37 Å²	37	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-46.5	175.7	-176.9	0	0	0	0	112.3	P102 I114 D296 S297 M298 L302 C303 H304	P102-C300 WeakPolarHBondContact CD-SG 3.35Å; P102-C300 HydrophobicContact CG-CB 3.52Å; I114-C300 WeakPolarHBondContact CD1-SG 3.34Å; D296-C300 PolarHBondContact O-N 3.25Å; S297-C300 WeakPolarHBondContact O-CB 3.47Å; S297-C300 PolarHBondContact O-N 3.28Å; S297-C300 VanDerWaalsContact O-N 3.13Å; M298-C300 VanDerWaalsContact C-N 3.29Å; M298-C300 PolarHBondContact O-N 3.01Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 2.68Å; C300-C303 PolarHBondContact O-N 2.74Å; C300-H304 WeakPolarHBondContact O-CB 3.22Å; C300-H304 PolarHBondContact O-CD2 3.01Å; C300-H304 VanDerWaalsContact O-CD2 3.27Å; C300-H304 PolarHBondContact O-N 3.06Å
301	H	96.4	Very high	95.4	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-53.8	-46.3	173.6	-83.9	-90.2	0	0	0	111.4	S297 M298 N305 V306 S307 F308	S297-H301 PolarHBondContact O-CD2 2.79Å; S297-H301 VanDerWaalsContact O-CD2 3.27Å; S297-H301 PolarHBondContact O-N 2.76Å; M298-H301 PolarHBondContact O-N 3.34Å; H301-N305 PolarHBondContact O-N 3.13Å; H301-N305 VanDerWaalsContact O-N 3.11Å; H301-V306 CarbonylContact C-O 3.57Å; H301-V306 WeakPolarHBondContact CB-O 3.25Å; H301-V306 PolarHBondContact O-N 2.99Å; H301-S307 PolarHBondContact CE1-O 3.01Å; H301-S307 PolarHBondContact ND1-O 3.33Å; H301-F308 HydrophobicContact CB-CD1 3.58Å; H301-F308 HydrophobicContact CB-CE1 3.7Å
302	L	96.7	Very high	95.5	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-50.2	177.3	-174.7	74	0	0	0	112.3	A64 M298 L299 C300 H304 N305 M318 F321	A64-L302 HydrophobicContact CB-CD2 3.4Å; A64-L302 VanDerWaalsContact CB-CD2 3.4Å; M298-L302 WeakPolarHBondContact O-CB 3.28Å; M298-L302 PolarHBondContact O-N 2.75Å; L299-L302 PolarHBondContact O-N 2.71Å; C300-L302 VanDerWaalsContact C-N 3.27Å; C300-L302 PolarHBondContact O-N 2.68Å; L302-H304 VanDerWaalsContact C-N 3.26Å; L302-H304 PolarHBondContact O-N 2.85Å; L302-N305 PolarHBondContact O-N 3.33Å; L302-N305 VanDerWaalsContact O-N 3.1Å; L302-M318 HydrophobicContact CD1-CE 3.82Å; L302-F321 HydrophobicContact CD2-CE1 3.86Å; L302-F321 HydrophobicContact CD2-CE2 4.48Å; L302-F321 HydrophobicContact CD2-CZ 3.69Å
303	C	96.3	Very high	95.7	Very high	12 Å²	12	44.7 Å²	44.7	8%	0.081	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-29.2	-175.9	-62.8	0	0	0	0	113.2	C68 I70 L299 C300	C68-C303 WeakPolarHBondContact CA-SG 3.3Å; C68-C303 HydrophobicContact CB-CB 3.66Å; C68-C303 WeakPolarHBondContact CB-SG 3.18Å; C68-C303 WeakPolarHBondContact SG-CA 3.5Å; C68-C303 WeakPolarHBondContact SG-CB 3.41Å; C68-C303 CovalentContact SG-SG 2.03Å; C68-C303 PolarHBondContact SG-SG 2.9Å; I70-C303 WeakPolarHBondContact CD1-O 3.37Å; L299-C303 WeakPolarHBondContact O-CB 3.16Å; L299-C303 PolarHBondContact O-N 2.87Å; L299-C303 PolarHBondContact O-SG 3.23Å; C300-C303 PolarHBondContact O-N 2.74Å
304	H	95.3	Very high	95.8	Very high	45 Å²	45	43.4 Å²	43.4	21%	0.208	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.8	176.4	-73	-98.6	0	0	0	113.7	D99 I114 C300 L302 V306	D99-H304 IonicContact OD1-CE1 2.82Å; D99-H304 PolarHBondContact OD1-CE1 3.46Å; D99-H304 IonicContact OD1-NE2 2.76Å; D99-H304 PolarHBondContact OD1-NE2 3.49Å; D99-H304 IonicContact OD2-NE2 3.31Å; I114-H304 HydrophobicContact CD1-CB 3.71Å; I114-H304 VanDerWaalsContact CD1-CG 3.48Å; I114-H304 HydrophobicContact CG1-CB 4.1Å; C300-H304 WeakPolarHBondContact O-CB 3.22Å; C300-H304 PolarHBondContact O-CD2 3.01Å; C300-H304 VanDerWaalsContact O-CD2 3.27Å; C300-H304 PolarHBondContact O-N 3.06Å; L302-H304 VanDerWaalsContact C-N 3.26Å; L302-H304 PolarHBondContact O-N 2.85Å; H304-V306 HydrophobicContact CB-CG2 3.84Å; H304-V306 PolarHBondContact O-N 3.2Å
305	N	94.9	Very high	95.9	Very high	156 Å²	156	46.2 Å²	46.2	83%	0.834	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	40.7	-174.9	-168.8	50	0	0	0	112.4	H301 L302	H301-N305 PolarHBondContact O-N 3.13Å; H301-N305 VanDerWaalsContact O-N 3.11Å; L302-N305 PolarHBondContact O-N 3.33Å; L302-N305 VanDerWaalsContact O-N 3.1Å
306	V	94.6	Very high	95.9	Very high	40 Å²	40	46.1 Å²	46.1	24%	0.242	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-101.7	137.1	175.9	178.5	0	0	0	0	108.3	I114 H301 H304 F308	I114-V306 HydrophobicContact CD1-CG2 4.43Å; I114-V306 HydrophobicContact CG1-CG2 4.07Å; H301-V306 CarbonylContact C-O 3.57Å; H301-V306 WeakPolarHBondContact CB-O 3.25Å; H301-V306 PolarHBondContact O-N 2.99Å; H304-V306 HydrophobicContact CB-CG2 3.84Å; H304-V306 PolarHBondContact O-N 3.2Å; V306-F308 PolarHBondContact O-N 3.39Å
307	S	95.3	Very high	96	Very high	99 Å²	99	48.6 Å²	48.6	69%	0.692	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-56.7	139.2	178.1	56.4	0	0	0	0	111.8	H301	H301-S307 PolarHBondContact CE1-O 3.01Å; H301-S307 PolarHBondContact ND1-O 3.33Å
308	F	96.5	Very high	96	Very high	25 Å²	25	51.5 Å²	51.5	11%	0.11	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.5	153.5	169.9	-67.3	-47.2	0	0	0	111.8	M298 H301 V306 V316 D317 M318 F321	M298-F308 HydrophobicContact CB-CD1 4.35Å; M298-F308 HydrophobicContact CB-CE1 3.79Å; M298-F308 HydrophobicContact CB-CZ 4.5Å; M298-F308 HydrophobicContact CE-CE1 4.41Å; M298-F308 HydrophobicContact CE-CZ 4.45Å; M298-F308 HydrophobicContact CG-CD1 4.4Å; M298-F308 HydrophobicContact CG-CE1 4.27Å; M298-F308 WeakPolarHBondContact O-CE1 3.32Å; H301-F308 HydrophobicContact CB-CD1 3.58Å; H301-F308 HydrophobicContact CB-CE1 3.7Å; V306-F308 PolarHBondContact O-N 3.39Å; F308-V316 HydrophobicContact CB-CB 4.43Å; F308-V316 HydrophobicContact CB-CG1 4.48Å; F308-V316 WeakPolarHBondContact CB-O 3.27Å; F308-D317 VanDerWaalsContact CD2-C 3.48Å; F308-M318 HydrophobicContact CE2-CB 4.4Å; F308-M318 HydrophobicContact CE2-CE 4.01Å; F308-M318 HydrophobicContact CE2-SD 4.34Å; F308-M318 HydrophobicContact CZ-CE 4.4Å; F308-F321 HydrophobicContact CE2-CB 4.17Å; F308-F321 HydrophobicContact CZ-CB 4.02Å; F308-F321 HydrophobicContact CZ-CD2 4.14Å; F308-F321 HydrophobicContact CZ-CG 4.08Å
309	P	95.1	Very high	96	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.078	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-70.5	142.1	-172	26.2	-33.8	0	0	0	113.2	I106 T109 V316	I106-P309 HydrophobicContact CD1-CG 3.86Å; T109-P309 HydrophobicContact CG2-CB 3.56Å; T109-P309 HydrophobicContact CG2-CG 3.79Å; P309-V316 HydrophobicContact CG-CB 4.36Å; P309-V316 HydrophobicContact CG-CG2 4.45Å; P309-V316 PolarHBondContact O-N 3.28Å
310	C	95.1	Very high	96.1	Very high	75 Å²	75	57.1 Å²	57.1	51%	0.507	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.8	172.2	-60.9	0	0	0	0	111.6	G314 C315	C310-G314 WeakPolarHBondContact CA-O 3.37Å; C310-C315 HydrophobicContact CB-CB 4.03Å; C310-C315 WeakPolarHBondContact CB-SG 3.3Å; C310-C315 WeakPolarHBondContact SG-CB 3.31Å; C310-C315 CovalentContact SG-SG 2.04Å; C310-C315 PolarHBondContact SG-SG 3.45Å
311	T	95.6	Very high	96.2	Very high	39 Å²	39	56.9 Å²	56.9	24%	0.239	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-176.9	170.5	78.8	0	0	0	0	109.4	I281 V282 N313 G314	I281-T311 HydrophobicContact CG2-CG2 4.33Å; I281-T311 WeakPolarHBondContact O-CB 3.33Å; I281-T311 WeakPolarHBondContact O-CG2 3.33Å; I281-T311 PolarHBondContact O-OG1 2.68Å; V282-T311 HydrophobicContact CG1-CG2 4.23Å; T311-N313 PolarHBondContact O-N 3.35Å; T311-N313 PolarHBondContact OG1-N 3.13Å; T311-G314 PolarHBondContact N-O 3.33Å; T311-G314 PolarHBondContact O-N 2.89Å
312	R	95.1	Very high	96.2	Very high	224 Å²	224	59.9 Å²	59.9	85%	0.845	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20	170.6	65.8	176.4	-177.1	-174.6	-1.4	114
313	N	96.3	Very high	96.2	Very high	82 Å²	82	60 Å²	60	44%	0.439	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	0.5	-176.2	-63.3	-15.4	0	0	0	112.9	K280 T311	K280-N313 PolarHBondContact O-ND2 3.09Å; K280-N313 VanDerWaalsContact O-ND2 3.17Å; T311-N313 PolarHBondContact O-N 3.35Å; T311-N313 PolarHBondContact OG1-N 3.13Å
314	G	96.6	Very high	96.3	Very high	31 Å²	31	59.7 Å²	59.7	32%	0.32	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-169.6	-178.9	0	0	0	0	0	113.1	I281 C310 T311	I281-G314 WeakPolarHBondContact CG2-O 3.28Å; C310-G314 WeakPolarHBondContact CA-O 3.37Å; T311-G314 PolarHBondContact N-O 3.33Å; T311-G314 PolarHBondContact O-N 2.89Å
315	C	96.6	Very high	96.3	Very high	60 Å²	60	58.1 Å²	58.1	41%	0.405	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.1	-179.2	-61.2	0	0	0	0	111.1	I281 C310	I281-C315 VanDerWaalsContact CD1-O 3.3Å; I281-C315 WeakPolarHBondContact CD1-O 3.49Å; C310-C315 HydrophobicContact CB-CB 4.03Å; C310-C315 WeakPolarHBondContact CB-SG 3.3Å; C310-C315 WeakPolarHBondContact SG-CB 3.31Å; C310-C315 CovalentContact SG-SG 2.04Å; C310-C315 PolarHBondContact SG-SG 3.45Å
316	V	97.2	Very high	96.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	29%	0.288	C	S	.	.			trans	-68.5	139.6	158.1	177.9	0	0	0	0	107	M278 I281 M298 F308 P309 H320	M278-V316 HydrophobicContact CE-CG1 3.94Å; M278-V316 HydrophobicContact CE-CG2 4.26Å; I281-V316 HydrophobicContact CG2-CG2 4.38Å; M298-V316 HydrophobicContact CE-CG1 3.54Å; M298-V316 HydrophobicContact SD-CG1 4.17Å; F308-V316 HydrophobicContact CB-CB 4.43Å; F308-V316 HydrophobicContact CB-CG1 4.48Å; F308-V316 WeakPolarHBondContact CB-O 3.27Å; P309-V316 HydrophobicContact CG-CB 4.36Å; P309-V316 HydrophobicContact CG-CG2 4.45Å; P309-V316 PolarHBondContact O-N 3.28Å; V316-H320 HydrophobicContact CG1-CB 4.34Å
317	D	96.6	Very high	96.4	Very high	68 Å²	68	51.8 Å²	51.8	36%	0.364	28%	0.278	S	S	.	.			trans	-139.6	-175.4	-172.3	68.3	21.8	0	0	0	113	F308 E319 H320 F321	F308-D317 VanDerWaalsContact CD2-C 3.48Å; D317-E319 VanDerWaalsContact C-N 3.3Å; D317-E319 PolarHBondContact O-N 3.39Å; D317-E319 PolarHBondContact OD1-N 2.83Å; D317-H320 VanDerWaalsContact CG-ND1 3.3Å; D317-H320 PolarHBondContact N-ND1 3.11Å; D317-H320 PolarHBondContact O-N 3.13Å; D317-H320 IonicContact OD1-CE1 3.08Å; D317-H320 IonicContact OD1-CG 3.81Å; D317-H320 PolarHBondContact OD1-N 3.15Å; D317-H320 VanDerWaalsContact OD1-N 3.08Å; D317-H320 IonicContact OD1-ND1 3.91Å; D317-H320 PolarHBondContact OD1-ND1 3.24Å; D317-H320 IonicContact OD2-CE1 3.98Å; D317-H320 IonicContact OD2-ND1 2.71Å; D317-F321 PolarHBondContact O-N 2.97Å; D317-F321 VanDerWaalsContact O-N 3.15Å
318	M	96.9	Very high	96.3	Very high	63 Å²	63	50 Å²	50	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-26.9	-179.4	-171.7	61.1	69.2	0	0	113.3	V61 L302 F308 F321 K322	V61-M318 HydrophobicContact CG2-SD 3.86Å; L302-M318 HydrophobicContact CD1-CE 3.82Å; F308-M318 HydrophobicContact CE2-CB 4.4Å; F308-M318 HydrophobicContact CE2-CE 4.01Å; F308-M318 HydrophobicContact CE2-SD 4.34Å; F308-M318 HydrophobicContact CZ-CE 4.4Å; M318-F321 WeakPolarHBondContact O-CB 2.98Å; M318-F321 PolarHBondContact O-N 3.19Å; M318-F321 HydrophobicContact SD-CB 4.16Å; M318-F321 HydrophobicContact SD-CD1 3.72Å; M318-F321 HydrophobicContact SD-CG 4.26Å; M318-K322 HydrophobicContact CG-CD 4.34Å; M318-K322 HydrophobicContact CG-CG 4.39Å; M318-K322 WeakPolarHBondContact O-CB 2.87Å; M318-K322 VanDerWaalsContact O-CG 3.23Å; M318-K322 WeakPolarHBondContact O-CG 3.44Å; M318-K322 PolarHBondContact O-N 3.15Å
319	E	97.3	Very high	96.1	Very high	111 Å²	111	50.6 Å²	50.6	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-72.5	-41	178.5	-64.4	-52.9	123.8	0	0	110.5	D317 F321 K322 V323	D317-E319 VanDerWaalsContact C-N 3.3Å; D317-E319 PolarHBondContact O-N 3.39Å; D317-E319 PolarHBondContact OD1-N 2.83Å; E319-F321 VanDerWaalsContact C-N 3.29Å; E319-F321 PolarHBondContact O-N 2.83Å; E319-K322 PolarHBondContact O-N 3.35Å; E319-K322 IonicContact OE1-NZ 2.66Å; E319-K322 PolarHBondContact OE1-NZ 3.3Å; E319-K322 IonicContact OE2-NZ 3.34Å; E319-V323 WeakPolarHBondContact O-CG2 3.41Å; E319-V323 PolarHBondContact O-N 2.83Å; E319-V323 VanDerWaalsContact O-N 3.15Å
320	H	97.9	Very high	96	Very high	16 Å²	16	52.7 Å²	52.7	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-43.2	169.7	-57.5	103.1	0	0	0	111.6	T274 M278 M298 V316 D317 V323 I324	T274-H320 HydrophobicContact CG2-CB 4.03Å; M278-H320 HydrophobicContact CG-CB 4.04Å; M278-H320 WeakPolarHBondContact CG-CD2 3.36Å; M278-H320 HydrophobicContact SD-CB 3.88Å; M298-H320 HydrophobicContact CE-CB 4.26Å; V316-H320 HydrophobicContact CG1-CB 4.34Å; D317-H320 VanDerWaalsContact CG-ND1 3.3Å; D317-H320 PolarHBondContact N-ND1 3.11Å; D317-H320 PolarHBondContact O-N 3.13Å; D317-H320 IonicContact OD1-CE1 3.08Å; D317-H320 IonicContact OD1-CG 3.81Å; D317-H320 PolarHBondContact OD1-N 3.15Å; D317-H320 VanDerWaalsContact OD1-N 3.08Å; D317-H320 IonicContact OD1-ND1 3.91Å; D317-H320 PolarHBondContact OD1-ND1 3.24Å; D317-H320 IonicContact OD2-CE1 3.98Å; D317-H320 IonicContact OD2-ND1 2.71Å; H320-V323 PolarHBondContact O-N 3.29Å; H320-I324 WeakPolarHBondContact O-CG1 3.26Å; H320-I324 PolarHBondContact O-N 3.45Å
321	F	97.9	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-51.6	177.9	-178.5	-103.3	0	0	0	111.7	A64 I295 M298 L299 L302 F308 D317 M318 E319 V323 I324 K325	A64-F321 HydrophobicContact CB-CE1 3.79Å; A64-F321 HydrophobicContact CB-CZ 3.52Å; I295-F321 HydrophobicContact CD1-CD2 3.87Å; I295-F321 HydrophobicContact CD1-CE2 3.58Å; I295-F321 HydrophobicContact CD1-CZ 4.42Å; M298-F321 HydrophobicContact CB-CD2 3.72Å; M298-F321 HydrophobicContact CB-CE2 4.15Å; M298-F321 VanDerWaalsContact CE-CA 3.42Å; M298-F321 HydrophobicContact CE-CB 3.54Å; M298-F321 HydrophobicContact CE-CD2 4.02Å; M298-F321 HydrophobicContact CE-CG 4.29Å; L299-F321 HydrophobicContact CD2-CE2 4.01Å; L299-F321 HydrophobicContact CD2-CZ 3.82Å; L299-F321 HydrophobicContact CG-CE2 4.17Å; L299-F321 HydrophobicContact CG-CZ 4.48Å; L302-F321 HydrophobicContact CD2-CE1 3.86Å; L302-F321 HydrophobicContact CD2-CE2 4.48Å; L302-F321 HydrophobicContact CD2-CZ 3.69Å; F308-F321 HydrophobicContact CE2-CB 4.17Å; F308-F321 HydrophobicContact CZ-CB 4.02Å; F308-F321 HydrophobicContact CZ-CD2 4.14Å; F308-F321 HydrophobicContact CZ-CG 4.08Å; D317-F321 PolarHBondContact O-N 2.97Å; D317-F321 VanDerWaalsContact O-N 3.15Å; M318-F321 WeakPolarHBondContact O-CB 2.98Å; M318-F321 PolarHBondContact O-N 3.19Å; M318-F321 HydrophobicContact SD-CB 4.16Å; M318-F321 HydrophobicContact SD-CD1 3.72Å; M318-F321 HydrophobicContact SD-CG 4.26Å; E319-F321 VanDerWaalsContact C-N 3.29Å; E319-F321 PolarHBondContact O-N 2.83Å; F321-V323 VanDerWaalsContact C-N 3.33Å; F321-V323 PolarHBondContact O-N 3.33Å; F321-I324 PolarHBondContact O-N 3.11Å; F321-K325 HydrophobicContact CE1-CB 4.21Å; F321-K325 HydrophobicContact CE1-CG 4.27Å; F321-K325 HydrophobicContact CZ-CB 4.33Å; F321-K325 HydrophobicContact CZ-CG 4.29Å; F321-K325 VanDerWaalsContact O-CB 3.24Å; F321-K325 WeakPolarHBondContact O-CB 3.5Å; F321-K325 PolarHBondContact O-N 3.43Å
322	K	97.1	Very high	95.7	Very high	69 Å²	69	49.1 Å²	49.1	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-56.8	-45.2	-178.8	-75.8	168.7	178.4	171.7	0	111.3	P60 V61 M318 E319 K325 T326	P60-K322 HydrophobicContact CG-CB 4.05Å; P60-K322 HydrophobicContact CG-CG 4.01Å; V61-K322 HydrophobicContact CG2-CD 4.45Å; V61-K322 HydrophobicContact CG2-CG 3.84Å; M318-K322 HydrophobicContact CG-CD 4.34Å; M318-K322 HydrophobicContact CG-CG 4.39Å; M318-K322 WeakPolarHBondContact O-CB 2.87Å; M318-K322 VanDerWaalsContact O-CG 3.23Å; M318-K322 WeakPolarHBondContact O-CG 3.44Å; M318-K322 PolarHBondContact O-N 3.15Å; E319-K322 PolarHBondContact O-N 3.35Å; E319-K322 IonicContact OE1-NZ 2.66Å; E319-K322 PolarHBondContact OE1-NZ 3.3Å; E319-K322 IonicContact OE2-NZ 3.34Å; K322-K325 PolarHBondContact O-N 3.21Å; K322-T326 VanDerWaalsContact O-CB 3.28Å; K322-T326 WeakPolarHBondContact O-CB 3.15Å; K322-T326 PolarHBondContact O-N 3.48Å; K322-T326 PolarHBondContact O-OG1 3.16Å
323	V	97.4	Very high	95.4	Very high	30 Å²	30	45 Å²	45	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-49.3	179.7	174.6	0	0	0	0	111.6	Q270 L271 T274 E319 H320 F321 K325 T326 H327	Q270-V323 HydrophobicContact CG-CG1 3.99Å; Q270-V323 HydrophobicContact CG-CG2 4.19Å; L271-V323 HydrophobicContact CD1-CG1 4.22Å; T274-V323 HydrophobicContact CG2-CB 4.12Å; T274-V323 HydrophobicContact CG2-CG1 4.29Å; T274-V323 WeakPolarHBondContact OG1-CG1 3.47Å; E319-V323 WeakPolarHBondContact O-CG2 3.41Å; E319-V323 PolarHBondContact O-N 2.83Å; E319-V323 VanDerWaalsContact O-N 3.15Å; H320-V323 PolarHBondContact O-N 3.29Å; F321-V323 VanDerWaalsContact C-N 3.33Å; F321-V323 PolarHBondContact O-N 3.33Å; V323-K325 VanDerWaalsContact C-N 3.28Å; V323-K325 PolarHBondContact O-N 3.4Å; V323-T326 PolarHBondContact O-N 3.48Å; V323-H327 PolarHBondContact O-N 2.93Å
324	I	96.9	Very high	95.3	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-40.1	-179.3	-62	169.3	0	0	0	110.3	L271 Y275 M278 P294 I295 M298 H320 F321 H327 Q328	L271-I324 HydrophobicContact CD1-CG1 4.09Å; Y275-I324 HydrophobicContact CE2-CG1 4.26Å; M278-I324 HydrophobicContact CE-CD1 4.13Å; M278-I324 HydrophobicContact SD-CD1 3.7Å; P294-I324 HydrophobicContact CG-CD1 4.2Å; I295-I324 HydrophobicContact CB-CG2 3.83Å; I295-I324 HydrophobicContact CD1-CB 4.31Å; I295-I324 HydrophobicContact CD1-CG2 3.9Å; I295-I324 HydrophobicContact CG1-CG2 3.99Å; M298-I324 HydrophobicContact SD-CD1 4.11Å; H320-I324 WeakPolarHBondContact O-CG1 3.26Å; H320-I324 PolarHBondContact O-N 3.45Å; F321-I324 PolarHBondContact O-N 3.11Å; I324-H327 WeakPolarHBondContact O-CB 3.43Å; I324-H327 PolarHBondContact O-N 3.26Å; I324-Q328 PolarHBondContact O-N 2.88Å
325	K	95.6	Very high	95	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-39.4	-178.1	-173.8	55.8	174.9	169.2	0	112.8	P60 E63 I295 F321 K322 V323 H327 Q328 I329	P60-K325 HydrophobicContact CB-CB 3.71Å; P60-K325 HydrophobicContact CB-CG 3.55Å; P60-K325 WeakPolarHBondContact O-CG 3.17Å; E63-K325 IonicContact OE1-NZ 2.9Å; E63-K325 WeakPolarHBondContact OE2-CE 3.44Å; E63-K325 IonicContact OE2-NZ 3.56Å; E63-K325 PolarHBondContact OE2-NZ 3.23Å; I295-K325 HydrophobicContact CD1-CB 4.43Å; F321-K325 HydrophobicContact CE1-CB 4.21Å; F321-K325 HydrophobicContact CE1-CG 4.27Å; F321-K325 HydrophobicContact CZ-CB 4.33Å; F321-K325 HydrophobicContact CZ-CG 4.29Å; F321-K325 VanDerWaalsContact O-CB 3.24Å; F321-K325 WeakPolarHBondContact O-CB 3.5Å; F321-K325 PolarHBondContact O-N 3.43Å; K322-K325 PolarHBondContact O-N 3.21Å; V323-K325 VanDerWaalsContact C-N 3.28Å; V323-K325 PolarHBondContact O-N 3.4Å; K325-H327 VanDerWaalsContact C-N 3.28Å; K325-H327 PolarHBondContact O-N 3.14Å; K325-Q328 HydrophobicContact CD-CB 4.46Å; K325-Q328 VanDerWaalsContact CD-OE1 3.23Å; K325-Q328 WeakPolarHBondContact O-CB 3.47Å; K325-Q328 PolarHBondContact O-N 3.46Å; K325-Q328 VanDerWaalsContact O-N 3.13Å; K325-I329 WeakPolarHBondContact O-CG1 3.43Å; K325-I329 PolarHBondContact O-N 3.24Å
326	T	95.2	Very high	94.7	Very high	51 Å²	51	44.6 Å²	44.6	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-57.3	-44.4	169.9	-66	0	0	0	0	110.5	P60 K322 V323 Q328 I329 E330	P60-T326 WeakPolarHBondContact CG-OG1 3.34Å; K322-T326 VanDerWaalsContact O-CB 3.28Å; K322-T326 WeakPolarHBondContact O-CB 3.15Å; K322-T326 PolarHBondContact O-N 3.48Å; K322-T326 PolarHBondContact O-OG1 3.16Å; V323-T326 PolarHBondContact O-N 3.48Å; T326-Q328 VanDerWaalsContact C-N 3.32Å; T326-Q328 PolarHBondContact O-N 3.43Å; T326-I329 WeakPolarHBondContact O-CB 3.42Å; T326-I329 PolarHBondContact O-N 2.86Å; T326-I329 VanDerWaalsContact O-N 3.13Å; T326-E330 WeakPolarHBondContact O-CG 3.48Å; T326-E330 PolarHBondContact O-N 3.01Å
327	H	95.8	Very high	94.4	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-36.9	176	-179.6	69.7	0	0	0	113	R265 L271 V323 I324 K325 I329 E330 D331	R265-H327 WeakPolarHBondContact CG-NE2 3.46Å; L271-H327 HydrophobicContact CD1-CB 4.03Å; L271-H327 HydrophobicContact CD2-CB 4.28Å; L271-H327 VanDerWaalsContact CD2-CD2 3.45Å; L271-H327 WeakPolarHBondContact CD2-CD2 3.29Å; V323-H327 PolarHBondContact O-N 2.93Å; I324-H327 WeakPolarHBondContact O-CB 3.43Å; I324-H327 PolarHBondContact O-N 3.26Å; K325-H327 VanDerWaalsContact C-N 3.28Å; K325-H327 PolarHBondContact O-N 3.14Å; H327-I329 VanDerWaalsContact C-N 3.34Å; H327-E330 IonicContact ND1-OE2 2.8Å; H327-E330 PolarHBondContact O-N 3.11Å; H327-D331 WeakPolarHBondContact O-CB 3.33Å; H327-D331 PolarHBondContact O-N 3.47Å
328	Q	93.9	Very high	94.2	Very high	62 Å²	62	52.5 Å²	52.5	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-43.3	172.9	-71.7	-172.8	-48.2	0	0	111.6	I324 K325 T326 E330 D331 E332	I324-Q328 PolarHBondContact O-N 2.88Å; K325-Q328 HydrophobicContact CD-CB 4.46Å; K325-Q328 VanDerWaalsContact CD-OE1 3.23Å; K325-Q328 WeakPolarHBondContact O-CB 3.47Å; K325-Q328 PolarHBondContact O-N 3.46Å; K325-Q328 VanDerWaalsContact O-N 3.13Å; T326-Q328 VanDerWaalsContact C-N 3.32Å; T326-Q328 PolarHBondContact O-N 3.43Å; Q328-E330 VanDerWaalsContact C-N 3.35Å; Q328-E330 PolarHBondContact O-N 3.08Å; Q328-D331 WeakPolarHBondContact O-CB 3.49Å; Q328-D331 PolarHBondContact O-N 3.07Å; Q328-E332 WeakPolarHBondContact O-CG 3.33Å; Q328-E332 PolarHBondContact O-N 2.77Å
329	I	91.8	Very high	93.9	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-43.1	177.8	-66.3	167.3	0	0	0	110.8	P60 E63 K325 T326 H327 D331 E332 R333	P60-I329 HydrophobicContact CB-CD1 4.28Å; E63-I329 HydrophobicContact CB-CD1 4.27Å; E63-I329 HydrophobicContact CG-CD1 4.45Å; K325-I329 WeakPolarHBondContact O-CG1 3.43Å; K325-I329 PolarHBondContact O-N 3.24Å; T326-I329 WeakPolarHBondContact O-CB 3.42Å; T326-I329 PolarHBondContact O-N 2.86Å; T326-I329 VanDerWaalsContact O-N 3.13Å; H327-I329 VanDerWaalsContact C-N 3.34Å; I329-D331 VanDerWaalsContact C-N 3.34Å; I329-D331 PolarHBondContact O-N 3.26Å; I329-E332 PolarHBondContact O-N 3.48Å; I329-R333 PolarHBondContact O-N 3.48Å; I329-R333 VanDerWaalsContact O-N 3.07Å
330	E	92.6	Very high	93.7	Very high	56 Å²	56	53 Å²	53	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-41.3	173.9	-68.6	174.8	163.9	0	0	112.3	T326 H327 Q328 E332 R333 E334	T326-E330 WeakPolarHBondContact O-CG 3.48Å; T326-E330 PolarHBondContact O-N 3.01Å; H327-E330 IonicContact ND1-OE2 2.8Å; H327-E330 PolarHBondContact O-N 3.11Å; Q328-E330 VanDerWaalsContact C-N 3.35Å; Q328-E330 PolarHBondContact O-N 3.08Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 2.87Å; E330-R333 PolarHBondContact O-N 3.29Å; E330-E334 PolarHBondContact O-N 3.48Å
331	D	93.5	Very high	93.5	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-39.3	175.6	-175.5	51.1	0	0	0	111.9	R260 Q261 L264 H327 Q328 I329 R335	R260-D331 IonicContact CZ-OD1 3.95Å; R260-D331 VanDerWaalsContact CZ-OD1 3.27Å; R260-D331 IonicContact NH1-OD1 2.92Å; R260-D331 PolarHBondContact NH1-OD1 3.25Å; R260-D331 IonicContact NH2-OD1 3.94Å; R260-D331 PolarHBondContact NH2-OD1 3.2Å; R260-D331 IonicContact NH2-OD2 2.7Å; Q261-D331 PolarHBondContact NE2-OD2 3.04Å; L264-D331 HydrophobicContact CD2-CB 3.86Å; H327-D331 WeakPolarHBondContact O-CB 3.33Å; H327-D331 PolarHBondContact O-N 3.47Å; Q328-D331 WeakPolarHBondContact O-CB 3.49Å; Q328-D331 PolarHBondContact O-N 3.07Å; I329-D331 VanDerWaalsContact C-N 3.34Å; I329-D331 PolarHBondContact O-N 3.26Å; D331-R335 WeakPolarHBondContact O-CB 3.1Å; D331-R335 PolarHBondContact O-N 2.87Å; D331-R335 IonicContact OD2-CZ 3.98Å; D331-R335 IonicContact OD2-NH2 3.02Å; D331-R335 PolarHBondContact OD2-NH2 2.89Å
332	E	90.9	Very high	93.3	Very high	35 Å²	35	56.6 Å²	56.6	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-40.2	175.3	-47	-142.8	121.8	0	0	112.1	Q328 I329 E330 R335 R336 F396	Q328-E332 WeakPolarHBondContact O-CG 3.33Å; Q328-E332 PolarHBondContact O-N 2.77Å; I329-E332 PolarHBondContact O-N 3.48Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 2.87Å; E332-R335 WeakPolarHBondContact O-CB 3.48Å; E332-R335 PolarHBondContact O-N 3.1Å; E332-R335 IonicContact OE1-NH1 3.26Å; E332-R335 PolarHBondContact OE1-NH1 3.39Å; E332-R335 VanDerWaalsContact OE1-NH1 3.16Å; E332-R336 WeakPolarHBondContact O-CG 3.38Å; E332-R336 PolarHBondContact O-N 3.27Å; E332-F396 WeakPolarHBondContact OE1-CD2 3.47Å
333	R	90.3	Very high	93.2	Very high	138 Å²	138	53.5 Å²	53.5	52%	0.521	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-51.7	176.5	-175.7	-178.3	66.1	-133.3	-4.3	111.1	I329 E330 R335 R336 E337	I329-R333 PolarHBondContact O-N 3.48Å; I329-R333 VanDerWaalsContact O-N 3.07Å; E330-R333 PolarHBondContact O-N 3.29Å; R333-R335 VanDerWaalsContact C-N 3.31Å; R333-R335 PolarHBondContact O-N 3.35Å; R333-R336 WeakPolarHBondContact O-CB 3.4Å; R333-R336 PolarHBondContact O-N 2.93Å; R333-R336 VanDerWaalsContact O-N 3.17Å; R333-E337 PolarHBondContact O-N 3.28Å
334	E	92.8	Very high	93.1	Very high	35 Å²	35	53.3 Å²	53.3	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-36.9	180	-166.8	-170.9	-164.5	0	0	111.6	R260 L264 E330 R336 E337 K338	R260-E334 IonicContact NH1-OE2 3.79Å; R260-E334 PolarHBondContact NH1-OE2 3.44Å; L264-E334 WeakPolarHBondContact CD1-OE2 3.43Å; L264-E334 HydrophobicContact CD2-CB 4.49Å; L264-E334 WeakPolarHBondContact CD2-OE2 3.45Å; E330-E334 PolarHBondContact O-N 3.48Å; E334-R336 VanDerWaalsContact C-N 3.26Å; E334-R336 PolarHBondContact O-N 3.31Å; E334-E337 PolarHBondContact O-N 3.02Å; E334-E337 VanDerWaalsContact O-N 3.16Å; E334-K338 HydrophobicContact CG-CG 3.91Å; E334-K338 WeakPolarHBondContact O-CG 3.05Å; E334-K338 PolarHBondContact O-N 3.11Å; E334-K338 WeakPolarHBondContact OE1-CE 3.42Å
335	R	91.9	Very high	93	Very high	49 Å²	49	53 Å²	53	19%	0.185	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-42.4	173.4	-179.5	-172.7	-48.3	130.2	6.1	112	E257 D331 E332 R333 K339 Y341	E257-R335 WeakPolarHBondContact OE1-CG 3.05Å; E257-R335 IonicContact OE1-NE 3.79Å; D331-R335 WeakPolarHBondContact O-CB 3.1Å; D331-R335 PolarHBondContact O-N 2.87Å; D331-R335 IonicContact OD2-CZ 3.98Å; D331-R335 IonicContact OD2-NH2 3.02Å; D331-R335 PolarHBondContact OD2-NH2 2.89Å; E332-R335 WeakPolarHBondContact O-CB 3.48Å; E332-R335 PolarHBondContact O-N 3.1Å; E332-R335 IonicContact OE1-NH1 3.26Å; E332-R335 PolarHBondContact OE1-NH1 3.39Å; E332-R335 VanDerWaalsContact OE1-NH1 3.16Å; R333-R335 VanDerWaalsContact C-N 3.31Å; R333-R335 PolarHBondContact O-N 3.35Å; R335-K339 PolarHBondContact O-N 3.08Å; R335-Y341 VanDerWaalsContact CG-CB 3.44Å; R335-Y341 HydrophobicContact CG-CD1 4.2Å; R335-Y341 HydrophobicContact CG-CG 3.88Å
336	R	88.9	Confident	93	Very high	80 Å²	80	52.7 Å²	52.7	30%	0.302	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-45.5	176.6	-66.8	168.6	-173.3	-169.8	-4.3	111.5	E332 R333 E334 S392 E393 A394	E332-R336 WeakPolarHBondContact O-CG 3.38Å; E332-R336 PolarHBondContact O-N 3.27Å; R333-R336 WeakPolarHBondContact O-CB 3.4Å; R333-R336 PolarHBondContact O-N 2.93Å; R333-R336 VanDerWaalsContact O-N 3.17Å; E334-R336 VanDerWaalsContact C-N 3.26Å; E334-R336 PolarHBondContact O-N 3.31Å; R336-S392 PolarHBondContact NE-O 2.9Å; R336-S392 PolarHBondContact NH2-O 3.28Å; R336-S392 VanDerWaalsContact NH2-O 3.09Å; R336-E393 IonicContact CZ-OE2 2.98Å; R336-E393 IonicContact NH1-OE1 2.76Å; R336-E393 IonicContact NH1-OE2 3.32Å; R336-E393 PolarHBondContact NH1-OE2 3.5Å; R336-E393 PolarHBondContact NH2-O 3.47Å; R336-A394 PolarHBondContact NH2-O 3.5Å
337	E	90.9	Very high	93	Very high	123 Å²	123	50.2 Å²	50.2	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-63.9	-43.3	-178.7	-68.7	170.9	-171.7	0	0	112.8	R333 E334	R333-E337 PolarHBondContact O-N 3.28Å; E334-E337 PolarHBondContact O-N 3.02Å; E334-E337 VanDerWaalsContact O-N 3.16Å
338	K	92.2	Very high	93	Very high	114 Å²	114	49.8 Å²	49.8	50%	0.496	22%	0.22	S	C	.	.	H	α-helix	trans	-78.2	-18.7	-175.4	-61.7	-60.6	-179.3	-172.2	0	114	R260 E334 L340	R260-K338 HydrophobicContact CG-CG 4.42Å; E334-K338 HydrophobicContact CG-CG 3.91Å; E334-K338 WeakPolarHBondContact O-CG 3.05Å; E334-K338 PolarHBondContact O-N 3.11Å; E334-K338 WeakPolarHBondContact OE1-CE 3.42Å; K338-L340 HydrophobicContact CB-CG 4.44Å; K338-L340 PolarHBondContact O-N 3.39Å
339	K	91.1	Very high	93.1	Very high	142 Å²	142	46.9 Å²	46.9	62%	0.617	21%	0.207	S	C	*	.			trans	57	10.2	177.8	-58	-178	178.9	-179.9	0	116.1	R335 L342 G343	R335-K339 PolarHBondContact O-N 3.08Å; K339-L342 HydrophobicContact CB-CB 4.35Å; K339-L342 WeakPolarHBondContact O-CB 3.32Å; K339-L342 PolarHBondContact O-N 3.13Å; K339-G343 PolarHBondContact O-N 3.44Å
340	L	92.7	Very high	93.3	Very high	42 Å²	42	45.8 Å²	45.8	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-46.3	174.4	-66.2	173.4	0	0	0	110.9	Y253 K256 E257 R260 K338 L342 G343 Y344	Y253-L340 WeakPolarHBondContact CD1-O 3.19Å; K256-L340 HydrophobicContact CB-CD1 4.11Å; K256-L340 HydrophobicContact CB-CD2 4.1Å; K256-L340 HydrophobicContact CD-CD2 4.44Å; E257-L340 HydrophobicContact CB-CB 4.2Å; R260-L340 HydrophobicContact CB-CD1 4.22Å; K338-L340 HydrophobicContact CB-CG 4.44Å; K338-L340 PolarHBondContact O-N 3.39Å; L340-L342 PolarHBondContact O-N 3.27Å; L340-G343 PolarHBondContact O-N 3.08Å; L340-G343 VanDerWaalsContact O-N 3.16Å; L340-Y344 PolarHBondContact O-N 2.03Å
341	Y	94.4	Very high	93.5	Very high	40 Å²	40	43.5 Å²	43.5	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-28.8	175.1	-171	-104	0	0	0	113.1	E257 R335 Y344 S345 S383 P384	E257-Y341 HydrophobicContact CG-CD2 4.14Å; R335-Y341 VanDerWaalsContact CG-CB 3.44Å; R335-Y341 HydrophobicContact CG-CD1 4.2Å; R335-Y341 HydrophobicContact CG-CG 3.88Å; Y341-Y344 AromaticContact CD2-CD1 3.84Å; Y341-Y344 HydrophobicContact CD2-CD1 3.84Å; Y341-Y344 HydrophobicContact CD2-CE1 4.49Å; Y341-Y344 AromaticContact CE2-CD1 3.58Å; Y341-Y344 HydrophobicContact CE2-CD1 3.58Å; Y341-Y344 AromaticContact CE2-CE1 3.8Å; Y341-Y344 HydrophobicContact CE2-CE1 3.8Å; Y341-Y344 PolarHBondContact O-N 2.84Å; Y341-S345 WeakPolarHBondContact CD1-OG 3.13Å; Y341-S345 VanDerWaalsContact CE1-OG 3.25Å; Y341-S345 WeakPolarHBondContact CE1-OG 3.42Å; Y341-S345 WeakPolarHBondContact O-CB 3.24Å; Y341-S345 PolarHBondContact O-N 3.43Å; Y341-S345 PolarHBondContact O-OG 2.95Å; Y341-S383 WeakPolarHBondContact OH-CB 3.35Å; Y341-P384 WeakPolarHBondContact OH-CD 3.15Å
342	L	94.1	Very high	93.6	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	19%	0.19	S	C	.	.	H	α-helix	trans	-63.7	-44.2	173.7	176.9	62.8	0	0	0	110.8	K339 L340 Y344 S345 L346 S387	K339-L342 HydrophobicContact CB-CB 4.35Å; K339-L342 WeakPolarHBondContact O-CB 3.32Å; K339-L342 PolarHBondContact O-N 3.13Å; L340-L342 PolarHBondContact O-N 3.27Å; L342-Y344 PolarHBondContact O-N 3.13Å; L342-S345 WeakPolarHBondContact O-CB 3.4Å; L342-S345 PolarHBondContact O-N 3Å; L342-S345 VanDerWaalsContact O-N 3.11Å; L342-L346 HydrophobicContact CD1-CD1 4.27Å; L342-L346 HydrophobicContact CD1-CD2 4.47Å; L342-L346 HydrophobicContact CD1-CG 4.13Å; L342-L346 HydrophobicContact CG-CD1 4.07Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.19Å; L342-L346 PolarHBondContact O-N 3.36Å; L342-S387 VanDerWaalsContact CD1-O 3.29Å; L342-S387 WeakPolarHBondContact CD1-O 3.4Å
343	G	94	Very high	94	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175.6	0	0	0	0	0	112.9	K339 L340 S345 L347	K339-G343 PolarHBondContact O-N 3.44Å; L340-G343 PolarHBondContact O-N 3.08Å; L340-G343 VanDerWaalsContact O-N 3.16Å; G343-S345 VanDerWaalsContact C-N 3.32Å; G343-S345 PolarHBondContact O-N 3.49Å; G343-L347 PolarHBondContact O-N 3.29Å
344	Y	95.1	Very high	94.3	Very high	26 Å²	26	37.5 Å²	37.5	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-45.9	170.3	166.6	-100.1	0	0	0	111.9	R250 L254 L340 Y341 L342 L347 G348 P384	R250-Y344 HydrophobicContact CG-CD2 3.56Å; R250-Y344 HydrophobicContact CG-CE2 3.87Å; L254-Y344 HydrophobicContact CB-CD2 3.79Å; L254-Y344 HydrophobicContact CB-CE2 4.11Å; L254-Y344 HydrophobicContact CD1-CD2 4.19Å; L254-Y344 HydrophobicContact CD1-CE2 4.07Å; L254-Y344 HydrophobicContact CD2-CE2 4.04Å; L254-Y344 HydrophobicContact CG-CD2 4.4Å; L254-Y344 HydrophobicContact CG-CE2 4.3Å; L340-Y344 PolarHBondContact O-N 2.03Å; Y341-Y344 AromaticContact CD2-CD1 3.84Å; Y341-Y344 HydrophobicContact CD2-CD1 3.84Å; Y341-Y344 HydrophobicContact CD2-CE1 4.49Å; Y341-Y344 AromaticContact CE2-CD1 3.58Å; Y341-Y344 HydrophobicContact CE2-CD1 3.58Å; Y341-Y344 AromaticContact CE2-CE1 3.8Å; Y341-Y344 HydrophobicContact CE2-CE1 3.8Å; Y341-Y344 PolarHBondContact O-N 2.84Å; L342-Y344 PolarHBondContact O-N 3.13Å; Y344-L347 PolarHBondContact O-N 3.23Å; Y344-G348 WeakPolarHBondContact O-CA 3.45Å; Y344-G348 PolarHBondContact O-N 3.1Å; Y344-P384 HydrophobicContact CE1-CB 4.19Å
345	S	95.6	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-43.3	-174.9	-65.5	0	0	0	0	112.7	Y341 L342 G343 L347 G348 A349 P384 S387	Y341-S345 WeakPolarHBondContact CD1-OG 3.13Å; Y341-S345 VanDerWaalsContact CE1-OG 3.25Å; Y341-S345 WeakPolarHBondContact CE1-OG 3.42Å; Y341-S345 WeakPolarHBondContact O-CB 3.24Å; Y341-S345 PolarHBondContact O-N 3.43Å; Y341-S345 PolarHBondContact O-OG 2.95Å; L342-S345 WeakPolarHBondContact O-CB 3.4Å; L342-S345 PolarHBondContact O-N 3Å; L342-S345 VanDerWaalsContact O-N 3.11Å; G343-S345 VanDerWaalsContact C-N 3.32Å; G343-S345 PolarHBondContact O-N 3.49Å; S345-L347 VanDerWaalsContact C-N 3.34Å; S345-L347 PolarHBondContact O-N 2.94Å; S345-G348 PolarHBondContact O-N 3.11Å; S345-A349 WeakPolarHBondContact O-CB 3.38Å; S345-A349 PolarHBondContact O-N 3.08Å; S345-P384 WeakPolarHBondContact CB-O 3.46Å; S345-P384 WeakPolarHBondContact OG-CA 3.38Å; S345-S387 WeakPolarHBondContact OG-CB 3.28Å
346	L	95.4	Very high	94.7	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-46.3	177.3	-68.6	165	0	0	0	111.1	L342 H350 A388 F455 M460 A463 L464	L342-L346 HydrophobicContact CD1-CD1 4.27Å; L342-L346 HydrophobicContact CD1-CD2 4.47Å; L342-L346 HydrophobicContact CD1-CG 4.13Å; L342-L346 HydrophobicContact CG-CD1 4.07Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.19Å; L342-L346 PolarHBondContact O-N 3.36Å; L346-H350 WeakPolarHBondContact O-CB 3.44Å; L346-H350 PolarHBondContact O-N 2.85Å; L346-A388 HydrophobicContact CD2-CB 4.27Å; L346-F455 HydrophobicContact CD2-CZ 4.39Å; L346-M460 HydrophobicContact CB-CE 4.47Å; L346-M460 HydrophobicContact CD2-CB 4.05Å; L346-M460 HydrophobicContact CD2-CE 4.24Å; L346-M460 WeakPolarHBondContact O-CE 3.36Å; L346-A463 HydrophobicContact CD1-CB 3.83Å; L346-L464 HydrophobicContact CB-CD2 4.23Å; L346-L464 HydrophobicContact CD1-CD2 3.65Å; L346-L464 HydrophobicContact CD1-CG 4.07Å
347	L	95	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-76.7	-33.3	-179.9	-63.3	174.6	0	0	0	113.2	V249 R250 Y253 G343 Y344 S345 L464 Y471 A474	V249-L347 HydrophobicContact CB-CD1 4.07Å; V249-L347 HydrophobicContact CG1-CD1 3.75Å; R250-L347 HydrophobicContact CB-CB 3.82Å; R250-L347 HydrophobicContact CB-CD1 4.08Å; R250-L347 HydrophobicContact CG-CB 4.1Å; Y253-L347 HydrophobicContact CD2-CD1 4.16Å; Y253-L347 HydrophobicContact CE2-CD1 4.29Å; G343-L347 PolarHBondContact O-N 3.29Å; Y344-L347 PolarHBondContact O-N 3.23Å; S345-L347 VanDerWaalsContact C-N 3.34Å; S345-L347 PolarHBondContact O-N 2.94Å; L347-L464 HydrophobicContact CD1-CD1 4.41Å; L347-L464 HydrophobicContact CD2-CD1 3.68Å; L347-L464 HydrophobicContact CG-CD1 3.99Å; L347-Y471 HydrophobicContact CD2-CE2 4.36Å; L347-Y471 VanDerWaalsContact O-CE2 3.29Å; L347-Y471 WeakPolarHBondContact O-CE2 3.46Å; L347-Y471 PolarHBondContact O-OH 2.87Å; L347-A474 HydrophobicContact CD2-CB 3.75Å
348	G	95.3	Very high	95.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-74.8	-39.3	179.6	0	0	0	0	0	113.3	Y344 S345	Y344-G348 WeakPolarHBondContact O-CA 3.45Å; Y344-G348 PolarHBondContact O-N 3.1Å; S345-G348 PolarHBondContact O-N 3.11Å
349	A	96.4	Very high	95.7	Very high	2 Å²	2	23 Å²	23	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-85.9	-19	-178.5	0	0	0	0	0	113.6	S345 I352 L353 V385 A388	S345-A349 WeakPolarHBondContact O-CB 3.38Å; S345-A349 PolarHBondContact O-N 3.08Å; A349-I352 WeakPolarHBondContact O-CG2 3.46Å; A349-I352 PolarHBondContact O-N 3.14Å; A349-L353 HydrophobicContact CB-CD1 4.12Å; A349-L353 WeakPolarHBondContact O-CG 3.25Å; A349-L353 PolarHBondContact O-N 3.47Å; A349-L353 VanDerWaalsContact O-N 3.07Å; A349-V385 HydrophobicContact CB-CB 4.47Å; A349-V385 HydrophobicContact CB-CG2 3.93Å; A349-A388 HydrophobicContact CB-CB 3.79Å
350	H	96.3	Very high	96.1	Very high	14 Å²	14	16.3 Å²	16.3	7%	0.065	8%	0.084	C	C	.	.	H	α-helix	trans	-52.2	-49.7	-177.4	166.4	-94.3	0	0	0	113.6	L346 I352 L353 N354 V456 M460 F461 Y471	L346-H350 WeakPolarHBondContact O-CB 3.44Å; L346-H350 PolarHBondContact O-N 2.85Å; H350-I352 PolarHBondContact O-N 3.25Å; H350-L353 PolarHBondContact O-N 2.79Å; H350-N354 VanDerWaalsContact O-CB 3.23Å; H350-N354 WeakPolarHBondContact O-CB 3.25Å; H350-N354 PolarHBondContact O-N 3.29Å; H350-V456 PolarHBondContact CD2-O 3.46Å; H350-M460 HydrophobicContact CB-CE 3.88Å; H350-M460 HydrophobicContact CB-SD 3.77Å; H350-M460 PolarHBondContact CD2-SD 2.9Å; H350-F461 AromaticContact CD2-CZ 3.51Å; H350-F461 AromaticContact CG-CZ 3.93Å; H350-F461 AromaticContact NE2-CZ 3.82Å; H350-Y471 HydrophobicContact CB-CD2 3.79Å; H350-Y471 HydrophobicContact CB-CE2 3.77Å; H350-Y471 WeakPolarHBondContact CE1-CB 3.21Å; H350-Y471 AromaticContact CE1-CD2 3.79Å; H350-Y471 AromaticContact CE1-CG 3.46Å; H350-Y471 VanDerWaalsContact CE1-CG 3.46Å; H350-Y471 AromaticContact CG-CD2 3.46Å; H350-Y471 VanDerWaalsContact CG-CD2 3.46Å; H350-Y471 AromaticContact CG-CE2 3.88Å; H350-Y471 AromaticContact CG-CG 3.97Å; H350-Y471 AromaticContact ND1-CD1 3.7Å; H350-Y471 AromaticContact ND1-CD2 3.05Å; H350-Y471 WeakPolarHBondContact ND1-CD2 3.41Å; H350-Y471 AromaticContact ND1-CE2 3.51Å; H350-Y471 AromaticContact ND1-CG 3.15Å
351	P	96.2	Very high	96.3	Very high	7 Å²	7	17.3 Å²	17.3	5%	0.045	9%	0.087	C	C	.	.	H	α-helix	trans	-56.6	-46.2	-176.6	-27.7	35.9	0	0	0	113.6	C241 N354 Q355 Y471	C241-P351 HydrophobicContact CB-CB 4.42Å; C241-P351 HydrophobicContact CB-CG 4.42Å; C241-P351 WeakPolarHBondContact O-CB 3.48Å; P351-N354 PolarHBondContact O-N 3Å; P351-Q355 WeakPolarHBondContact O-CG 3.4Å; P351-Q355 PolarHBondContact O-N 3.09Å; P351-Y471 HydrophobicContact CG-CE1 4.35Å
352	I	97.1	Very high	96.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-71.7	-35.2	-178.8	-170.8	52.8	0	0	0	112.4	F94 F240 A349 H350 Q355 T356 Y375 V385	F94-I352 HydrophobicContact CE1-CD1 3.94Å; F94-I352 HydrophobicContact CE1-CG1 3.45Å; F94-I352 VanDerWaalsContact CE1-CG1 3.45Å; F94-I352 HydrophobicContact CZ-CD1 4.33Å; F94-I352 HydrophobicContact CZ-CG1 3.92Å; F240-I352 HydrophobicContact CB-CB 3.91Å; F240-I352 HydrophobicContact CB-CD1 3.83Å; F240-I352 HydrophobicContact CB-CG1 3.78Å; F240-I352 HydrophobicContact CD1-CD1 4.35Å; F240-I352 WeakPolarHBondContact O-CB 3.41Å; A349-I352 WeakPolarHBondContact O-CG2 3.46Å; A349-I352 PolarHBondContact O-N 3.14Å; H350-I352 PolarHBondContact O-N 3.25Å; I352-Q355 PolarHBondContact O-N 3.38Å; I352-T356 WeakPolarHBondContact O-CB 3.45Å; I352-T356 PolarHBondContact O-N 3.21Å; I352-T356 PolarHBondContact O-OG1 3Å; I352-Y375 HydrophobicContact CD1-CD1 3.97Å; I352-Y375 HydrophobicContact CD1-CE1 3.66Å; I352-V385 HydrophobicContact CG2-CG2 4.03Å
353	L	97.7	Very high	96.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-65.3	-42.6	172.5	-70.4	176.2	0	0	0	111.1	A349 H350 Q355 T356 I357 V385 A388 L389 F405 V456 M460	A349-L353 HydrophobicContact CB-CD1 4.12Å; A349-L353 WeakPolarHBondContact O-CG 3.25Å; A349-L353 PolarHBondContact O-N 3.47Å; A349-L353 VanDerWaalsContact O-N 3.07Å; H350-L353 PolarHBondContact O-N 2.79Å; L353-Q355 VanDerWaalsContact C-N 3.32Å; L353-Q355 PolarHBondContact O-N 3.33Å; L353-T356 WeakPolarHBondContact O-CB 3.21Å; L353-T356 PolarHBondContact O-N 3.15Å; L353-T356 VanDerWaalsContact O-N 3.16Å; L353-I357 PolarHBondContact O-N 3.33Å; L353-V385 HydrophobicContact CD2-CG1 4.13Å; L353-A388 HydrophobicContact CD1-CB 4.37Å; L353-L389 HydrophobicContact CD1-CD2 4.18Å; L353-L389 HydrophobicContact CD2-CD2 4.02Å; L353-F405 HydrophobicContact CD2-CE1 4.09Å; L353-F405 HydrophobicContact CD2-CZ 3.72Å; L353-V456 HydrophobicContact CB-CG1 4.06Å; L353-V456 HydrophobicContact CB-CG2 3.9Å; L353-M460 HydrophobicContact CD1-CE 4.27Å
354	N	97	Very high	96.7	Very high	48 Å²	48	19.3 Å²	19.3	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-62.2	-39.6	177.9	-174.4	47.8	0	0	0	111.7	H350 P351 I357 G358 V456 K457	H350-N354 VanDerWaalsContact O-CB 3.23Å; H350-N354 WeakPolarHBondContact O-CB 3.25Å; H350-N354 PolarHBondContact O-N 3.29Å; P351-N354 PolarHBondContact O-N 3Å; N354-I357 WeakPolarHBondContact O-CG1 3.39Å; N354-G358 PolarHBondContact O-N 3.38Å; N354-V456 HydrophobicContact CB-CG1 4.04Å; N354-K457 PolarHBondContact OD1-NZ 2.72Å
355	Q	96.4	Very high	96.7	Very high	58 Å²	58	23.9 Å²	23.9	27%	0.271	12%	0.119	S	C	.	.	H	α-helix	trans	-67.7	-39.7	172.9	-71.3	-164.4	-26	0	0	113.2	S242 P351 I352 L353 G358 R359	S242-Q355 PolarHBondContact OG-NE2 3Å; S242-Q355 PolarHBondContact OG-OE1 3.15Å; P351-Q355 WeakPolarHBondContact O-CG 3.4Å; P351-Q355 PolarHBondContact O-N 3.09Å; I352-Q355 PolarHBondContact O-N 3.38Å; L353-Q355 VanDerWaalsContact C-N 3.32Å; L353-Q355 PolarHBondContact O-N 3.33Å; Q355-G358 PolarHBondContact O-N 3.46Å; Q355-R359 PolarHBondContact O-N 3.46Å
356	T	97.8	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-48.6	178.2	-59.7	0	0	0	0	110.9	H92 F94 I352 L353 G358 R359 M360 F405	H92-T356 HydrophobicContact CB-CG2 4.11Å; F94-T356 WeakPolarHBondContact CZ-OG1 3.29Å; I352-T356 WeakPolarHBondContact O-CB 3.45Å; I352-T356 PolarHBondContact O-N 3.21Å; I352-T356 PolarHBondContact O-OG1 3Å; L353-T356 WeakPolarHBondContact O-CB 3.21Å; L353-T356 PolarHBondContact O-N 3.15Å; L353-T356 VanDerWaalsContact O-N 3.16Å; T356-G358 VanDerWaalsContact C-N 3.29Å; T356-G358 PolarHBondContact O-N 3.15Å; T356-R359 PolarHBondContact O-N 3.46Å; T356-M360 HydrophobicContact CG2-CE 4.5Å; T356-M360 WeakPolarHBondContact O-CG 3.45Å; T356-M360 PolarHBondContact O-N 3.31Å; T356-F405 HydrophobicContact CG2-CD1 4.27Å; T356-F405 HydrophobicContact CG2-CG 4.28Å
357	I	97.9	Very high	96.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-34.9	175.9	64.1	161	0	0	0	111.8	L353 N354 R359 M360 Q361 L452 V453 V456 K457	L353-I357 PolarHBondContact O-N 3.33Å; N354-I357 WeakPolarHBondContact O-CG1 3.39Å; I357-R359 VanDerWaalsContact C-N 3.33Å; I357-R359 PolarHBondContact O-N 3.09Å; I357-M360 PolarHBondContact O-N 2.8Å; I357-Q361 WeakPolarHBondContact O-CB 3.28Å; I357-Q361 VanDerWaalsContact O-CG 3.26Å; I357-Q361 WeakPolarHBondContact O-CG 3.42Å; I357-Q361 PolarHBondContact O-N 3.48Å; I357-L452 HydrophobicContact CG2-CD2 3.96Å; I357-L452 HydrophobicContact CG2-CG 3.79Å; I357-V453 HydrophobicContact CB-CG2 4.46Å; I357-V453 HydrophobicContact CD1-CG1 4.47Å; I357-V456 HydrophobicContact CD1-CB 3.83Å; I357-V456 HydrophobicContact CD1-CG1 3.71Å; I357-V456 HydrophobicContact CG1-CG1 4.17Å; I357-V456 HydrophobicContact CG2-CB 4.44Å; I357-V456 HydrophobicContact CG2-CG2 4.07Å; I357-K457 HydrophobicContact CD1-CD 4.1Å; I357-K457 HydrophobicContact CD1-CG 4.01Å
358	G	97.4	Very high	96.5	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-37.6	177	0	0	0	0	0	112.7	N354 Q355 T356 R362	N354-G358 PolarHBondContact O-N 3.38Å; Q355-G358 PolarHBondContact O-N 3.46Å; T356-G358 VanDerWaalsContact C-N 3.29Å; T356-G358 PolarHBondContact O-N 3.15Å; G358-R362 WeakPolarHBondContact O-CG 3.45Å; G358-R362 PolarHBondContact O-N 2.91Å; G358-R362 VanDerWaalsContact O-N 3.14Å; G358-R362 PolarHBondContact O-NH1 3.01Å
359	R	97.6	Very high	96.5	Very high	23 Å²	23	42.8 Å²	42.8	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-45.2	172.2	-76.3	179	179.6	101.8	8.6	111.8	H92 Y201 Q355 T356 I357 Q361 R362 A363 E370 Y375	H92-R359 WeakPolarHBondContact CE1-CB 3.17Å; H92-R359 VanDerWaalsContact CE1-CD 3.48Å; H92-R359 WeakPolarHBondContact CE1-CD 3.45Å; Y201-R359 PolarHBondContact OH-NH2 2.88Å; Q355-R359 PolarHBondContact O-N 3.46Å; T356-R359 PolarHBondContact O-N 3.46Å; I357-R359 VanDerWaalsContact C-N 3.33Å; I357-R359 PolarHBondContact O-N 3.09Å; R359-Q361 VanDerWaalsContact C-N 3.34Å; R359-Q361 PolarHBondContact O-N 3.29Å; R359-R362 WeakPolarHBondContact O-CB 3.38Å; R359-R362 PolarHBondContact O-N 3.49Å; R359-A363 PolarHBondContact O-N 2.81Å; R359-E370 WeakPolarHBondContact CG-OE2 3.5Å; R359-E370 IonicContact CZ-OE1 3.17Å; R359-E370 IonicContact NE-OE1 3.02Å; R359-E370 PolarHBondContact NE-OE1 3.24Å; R359-E370 IonicContact NE-OE2 3.46Å; R359-E370 PolarHBondContact NE-OE2 2.94Å; R359-E370 IonicContact NH2-OE1 3.95Å; R359-E370 PolarHBondContact NH2-OE1 3.02Å; R359-Y375 PolarHBondContact NH1-OH 3.14Å
360	M	98.1	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-43.6	176.4	-70.7	-173.7	159.8	0	0	112.2	T356 I357 A363 T364 F405 L407 V419 L449 L452	T356-M360 HydrophobicContact CG2-CE 4.5Å; T356-M360 WeakPolarHBondContact O-CG 3.45Å; T356-M360 PolarHBondContact O-N 3.31Å; I357-M360 PolarHBondContact O-N 2.8Å; M360-A363 WeakPolarHBondContact O-CB 3.41Å; M360-A363 PolarHBondContact O-N 2.66Å; M360-A363 VanDerWaalsContact O-N 3.13Å; M360-T364 WeakPolarHBondContact O-CG2 3.46Å; M360-T364 PolarHBondContact O-N 3.16Å; M360-F405 HydrophobicContact CE-CB 3.34Å; M360-F405 HydrophobicContact CE-CG 4.4Å; M360-L407 HydrophobicContact CB-CD2 4.18Å; M360-L407 HydrophobicContact CE-CB 4.29Å; M360-L407 HydrophobicContact CG-CB 4.48Å; M360-L407 WeakPolarHBondContact O-CD2 3.13Å; M360-V419 HydrophobicContact CE-CG2 4.42Å; M360-V419 HydrophobicContact SD-CG2 4.45Å; M360-L449 HydrophobicContact CB-CD1 4.27Å; M360-L449 HydrophobicContact SD-CD1 4.02Å; M360-L452 HydrophobicContact SD-CD2 4.49Å
361	Q	97.8	Very high	96.6	Very high	64 Å²	64	44.1 Å²	44.1	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-44.4	176.7	-74.1	176.7	-55.9	0	0	111.5	I357 R359 A363 T364 E365 V453	I357-Q361 WeakPolarHBondContact O-CB 3.28Å; I357-Q361 VanDerWaalsContact O-CG 3.26Å; I357-Q361 WeakPolarHBondContact O-CG 3.42Å; I357-Q361 PolarHBondContact O-N 3.48Å; R359-Q361 VanDerWaalsContact C-N 3.34Å; R359-Q361 PolarHBondContact O-N 3.29Å; Q361-A363 VanDerWaalsContact C-N 3.28Å; Q361-A363 PolarHBondContact O-N 3.17Å; Q361-T364 WeakPolarHBondContact O-CB 3.38Å; Q361-T364 PolarHBondContact O-N 3.38Å; Q361-T364 PolarHBondContact O-OG1 3.06Å; Q361-E365 PolarHBondContact O-N 3.46Å; Q361-V453 HydrophobicContact CG-CG2 4.32Å
362	R	97.6	Very high	96.7	Very high	83 Å²	83	43.8 Å²	43.8	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-56.3	-43	171.7	-77.2	-166.5	-59.9	-86.1	16.1	112.2	G358 R359 T364 E365 R367 E370	G358-R362 WeakPolarHBondContact O-CG 3.45Å; G358-R362 PolarHBondContact O-N 2.91Å; G358-R362 VanDerWaalsContact O-N 3.14Å; G358-R362 PolarHBondContact O-NH1 3.01Å; R359-R362 WeakPolarHBondContact O-CB 3.38Å; R359-R362 PolarHBondContact O-N 3.49Å; R362-T364 VanDerWaalsContact C-N 3.28Å; R362-T364 PolarHBondContact O-N 3.26Å; R362-E365 WeakPolarHBondContact O-CB 3.28Å; R362-E365 PolarHBondContact O-N 3.09Å; R362-R367 HydrophobicContact CB-CB 4.34Å; R362-R367 HydrophobicContact CB-CG 4.42Å; R362-R367 VanDerWaalsContact O-CB 3.24Å; R362-R367 WeakPolarHBondContact O-CB 3.31Å; R362-R367 WeakPolarHBondContact O-CG 3.4Å; R362-R367 PolarHBondContact O-N 2.83Å; R362-E370 IonicContact CZ-OE2 2.79Å; R362-E370 IonicContact NE-OE2 3.41Å; R362-E370 IonicContact NH2-OE2 2.62Å; R362-E370 PolarHBondContact NH2-OE2 3.41Å
363	A	96.7	Very high	96.8	Very high	6 Å²	6	43.8 Å²	43.8	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-32.7	176.6	0	0	0	0	0	112.6	V89 R359 M360 Q361 E365 G366 L407	V89-A363 HydrophobicContact CG1-CB 4.05Å; R359-A363 PolarHBondContact O-N 2.81Å; M360-A363 WeakPolarHBondContact O-CB 3.41Å; M360-A363 PolarHBondContact O-N 2.66Å; M360-A363 VanDerWaalsContact O-N 3.13Å; Q361-A363 VanDerWaalsContact C-N 3.28Å; Q361-A363 PolarHBondContact O-N 3.17Å; A363-E365 PolarHBondContact O-N 3.45Å; A363-G366 PolarHBondContact O-N 2.91Å; A363-G366 VanDerWaalsContact O-N 3.08Å; A363-L407 HydrophobicContact CB-CD2 3.81Å
364	T	96.8	Very high	96.8	Very high	48 Å²	48	43.7 Å²	43.7	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-24.4	172.6	71.6	0	0	0	0	113.5	M360 Q361 R362 G366 L407 H417 L449	M360-T364 WeakPolarHBondContact O-CG2 3.46Å; M360-T364 PolarHBondContact O-N 3.16Å; Q361-T364 WeakPolarHBondContact O-CB 3.38Å; Q361-T364 PolarHBondContact O-N 3.38Å; Q361-T364 PolarHBondContact O-OG1 3.06Å; R362-T364 VanDerWaalsContact C-N 3.28Å; R362-T364 PolarHBondContact O-N 3.26Å; T364-G366 PolarHBondContact O-N 2.93Å; T364-L407 HydrophobicContact CG2-CD1 4.4Å; T364-L407 HydrophobicContact CG2-CD2 4.09Å; T364-H417 HydrophobicContact CG2-CB 4.07Å; T364-L449 HydrophobicContact CG2-CD2 3.57Å
365	E	95.5	Very high	96.9	Very high	122 Å²	122	41.4 Å²	41.4	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	2	173.4	-59.3	166	-174.5	0	0	112.4	Q361 R362 A363 R367	Q361-E365 PolarHBondContact O-N 3.46Å; R362-E365 WeakPolarHBondContact O-CB 3.28Å; R362-E365 PolarHBondContact O-N 3.09Å; A363-E365 PolarHBondContact O-N 3.45Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 HydrophobicContact CB-CG 4.42Å; E365-R367 IonicContact OE2-CZ 3.56Å; E365-R367 IonicContact OE2-NE 3.02Å; E365-R367 PolarHBondContact OE2-NE 3.41Å; E365-R367 IonicContact OE2-NH2 3.19Å; E365-R367 PolarHBondContact OE2-NH2 3.35Å
366	G	93.1	Very high	97	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	7.4	-178	0	0	0	0	0	114.5	A363 T364	A363-G366 PolarHBondContact O-N 2.91Å; A363-G366 VanDerWaalsContact O-N 3.08Å; T364-G366 PolarHBondContact O-N 2.93Å
367	R	95.4	Very high	97	Very high	118 Å²	118	38.6 Å²	38.6	45%	0.445	19%	0.193	S	C	.	.			trans	-62.3	142.1	171.8	-62.5	-157.5	-157.2	-150.4	-1.4	110.6	R362 E365 E369	R362-R367 HydrophobicContact CB-CB 4.34Å; R362-R367 HydrophobicContact CB-CG 4.42Å; R362-R367 VanDerWaalsContact O-CB 3.24Å; R362-R367 WeakPolarHBondContact O-CB 3.31Å; R362-R367 WeakPolarHBondContact O-CG 3.4Å; R362-R367 PolarHBondContact O-N 2.83Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 HydrophobicContact CB-CG 4.42Å; E365-R367 IonicContact OE2-CZ 3.56Å; E365-R367 IonicContact OE2-NE 3.02Å; E365-R367 PolarHBondContact OE2-NE 3.41Å; E365-R367 IonicContact OE2-NH2 3.19Å; E365-R367 PolarHBondContact OE2-NH2 3.35Å; R367-E369 VanDerWaalsContact CB-OE2 3.26Å; R367-E369 WeakPolarHBondContact CB-OE2 3.08Å
368	K	93.3	Very high	97.1	Very high	145 Å²	145	39.3 Å²	39.3	63%	0.63	20%	0.196	S	C	*	.			trans	-110.8	5.7	-174.3	-66.4	-172.8	-178.2	176.4	0	113.2	Q199 L371	Q199-K368 WeakPolarHBondContact CG-O 3.27Å; Q199-K368 PolarHBondContact NE2-O 3.3Å; K368-L371 VanDerWaalsContact O-CG 3.32Å; K368-L371 WeakPolarHBondContact O-CG 3.36Å
369	E	95.4	Very high	97	Very high	85 Å²	85	40 Å²	40	40%	0.397	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	147.1	173.6	-54.2	95.1	126.6	0	0	110.5	D198 R367 L371	D198-E369 HydrophobicContact CB-CG 4.29Å; D198-E369 CarbonylContact O-C 3.56Å; D198-E369 WeakPolarHBondContact O-CA 3.33Å; R367-E369 VanDerWaalsContact CB-OE2 3.26Å; R367-E369 WeakPolarHBondContact CB-OE2 3.08Å; E369-L371 PolarHBondContact O-N 2.95Å; E369-L371 VanDerWaalsContact O-N 3.16Å
370	E	95.9	Very high	96.9	Very high	29 Å²	29	42.5 Å²	42.5	14%	0.136	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	32.8	172.8	-48.7	175.7	115.8	0	0	114.2	D198 Q199 Y201 R359 R362 F372	D198-E370 PolarHBondContact O-N 2.95Å; Q199-E370 CarbonylContact O-C 3.5Å; Y201-E370 HydrophobicContact CD2-CG 4.33Å; Y201-E370 WeakPolarHBondContact CD2-OE1 3.42Å; R359-E370 WeakPolarHBondContact CG-OE2 3.5Å; R359-E370 IonicContact CZ-OE1 3.17Å; R359-E370 IonicContact NE-OE1 3.02Å; R359-E370 PolarHBondContact NE-OE1 3.24Å; R359-E370 IonicContact NE-OE2 3.46Å; R359-E370 PolarHBondContact NE-OE2 2.94Å; R359-E370 IonicContact NH2-OE1 3.95Å; R359-E370 PolarHBondContact NH2-OE1 3.02Å; R362-E370 IonicContact CZ-OE2 2.79Å; R362-E370 IonicContact NE-OE2 3.41Å; R362-E370 IonicContact NH2-OE2 2.62Å; R362-E370 PolarHBondContact NH2-OE2 3.41Å; E370-F372 PolarHBondContact O-N 3.48Å
371	L	97.8	Very high	96.9	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	21%	0.214	C	C	.	.	S	Bend	trans	-58.8	-33.2	178	-60.5	-177.2	0	0	0	112.6	S90 V91 L191 Q199 K368 E369	S90-L371 CarbonylContact C-O 3.57Å; S90-L371 WeakPolarHBondContact CA-O 3.29Å; S90-L371 PolarHBondContact OG-O 2.66Å; V91-L371 PolarHBondContact N-O 3.47Å; L191-L371 HydrophobicContact CD2-CB 4.06Å; L191-L371 HydrophobicContact CD2-CD1 4.34Å; Q199-L371 PolarHBondContact O-N 2.94Å; K368-L371 VanDerWaalsContact O-CG 3.32Å; K368-L371 WeakPolarHBondContact O-CG 3.36Å; E369-L371 PolarHBondContact O-N 2.95Å; E369-L371 VanDerWaalsContact O-N 3.16Å
372	F	98.7	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.4	169.2	-175.5	-89	0	0	0	109.8	V91 V93 Y184 L190 Q199 L200 Y201 L217 F221 E370 L374	V91-F372 HydrophobicContact CB-CD2 4.29Å; V91-F372 HydrophobicContact CG1-CD2 4.4Å; V91-F372 HydrophobicContact CG1-CE2 4.44Å; V91-F372 WeakPolarHBondContact O-CA 3.35Å; V93-F372 HydrophobicContact CB-CZ 4.48Å; V93-F372 HydrophobicContact CG2-CE2 3.68Å; V93-F372 HydrophobicContact CG2-CZ 3.81Å; Y184-F372 HydrophobicContact CD2-CE2 4.36Å; L190-F372 HydrophobicContact CD2-CB 4.31Å; L190-F372 HydrophobicContact CD2-CD2 4.26Å; Q199-F372 PolarHBondContact O-N 3.3Å; L200-F372 HydrophobicContact CD1-CB 4.26Å; L200-F372 HydrophobicContact CD1-CD1 3.61Å; L200-F372 HydrophobicContact CD1-CE1 4.44Å; L200-F372 HydrophobicContact CD1-CG 4.36Å; Y201-F372 PolarHBondContact N-O 3.5Å; L217-F372 HydrophobicContact CD2-CZ 4.49Å; F221-F372 HydrophobicContact CD1-CD1 4.34Å; F221-F372 HydrophobicContact CD1-CE1 4.01Å; F221-F372 HydrophobicContact CD1-CE2 4.36Å; F221-F372 HydrophobicContact CD1-CZ 4.02Å; F221-F372 HydrophobicContact CD2-CE2 4.37Å; F221-F372 HydrophobicContact CD2-CZ 4.43Å; F221-F372 HydrophobicContact CE1-CB 4.47Å; F221-F372 AromaticContact CE1-CD1 3.87Å; F221-F372 HydrophobicContact CE1-CD1 3.87Å; F221-F372 AromaticContact CE1-CD2 3.79Å; F221-F372 HydrophobicContact CE1-CD2 3.79Å; F221-F372 AromaticContact CE1-CE1 3.94Å; F221-F372 HydrophobicContact CE1-CE1 3.94Å; F221-F372 AromaticContact CE1-CE2 3.88Å; F221-F372 HydrophobicContact CE1-CE2 3.88Å; F221-F372 AromaticContact CE1-CG 3.77Å; F221-F372 HydrophobicContact CE1-CG 3.77Å; F221-F372 AromaticContact CE1-CZ 3.94Å; F221-F372 HydrophobicContact CE1-CZ 3.94Å; F221-F372 HydrophobicContact CE2-CD2 4.21Å; F221-F372 AromaticContact CE2-CE2 3.87Å; F221-F372 HydrophobicContact CE2-CE2 3.87Å; F221-F372 HydrophobicContact CE2-CZ 4.34Å; F221-F372 HydrophobicContact CG-CZ 4.29Å; F221-F372 HydrophobicContact CZ-CD1 4.45Å; F221-F372 AromaticContact CZ-CD2 3.53Å; F221-F372 HydrophobicContact CZ-CD2 3.53Å; F221-F372 AromaticContact CZ-CE2 3.61Å; F221-F372 HydrophobicContact CZ-CE2 3.61Å; F221-F372 AromaticContact CZ-CG 3.97Å; F221-F372 HydrophobicContact CZ-CG 3.97Å; F221-F372 HydrophobicContact CZ-CZ 4.11Å; E370-F372 PolarHBondContact O-N 3.48Å; F372-L374 HydrophobicContact CE1-CB 3.99Å
373	A	98.7	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.8	175.7	0	0	0	0	0	111	V91 H92 V93 Y201 Y375	V91-A373 PolarHBondContact O-N 2.04Å; H92-A373 CarbonylContact C-O 3.01Å; H92-A373 WeakPolarHBondContact CA-O 3.35Å; H92-A373 HydrophobicContact CB-CB 4.48Å; H92-A373 VanDerWaalsContact ND1-CB 3.33Å; H92-A373 WeakPolarHBondContact ND1-CB 3Å; V93-A373 PolarHBondContact N-O 2.99Å; Y201-A373 HydrophobicContact CD1-CB 4.13Å; Y201-A373 HydrophobicContact CG-CB 4.45Å; Y201-A373 CarbonylContact O-C 3.58Å; Y201-A373 VanDerWaalsContact O-CA 3.28Å; Y201-A373 WeakPolarHBondContact O-CA 3.49Å; A373-Y375 HydrophobicContact CB-CE2 3.99Å
374	L	98.8	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.9	175.3	178.9	64.6	0	0	0	110.7	V93 I95 Y201 L202 E203 L217 F372	V93-L374 HydrophobicContact CB-CD1 4.11Å; V93-L374 HydrophobicContact CG1-CD1 4.07Å; V93-L374 WeakPolarHBondContact O-CA 3.49Å; I95-L374 HydrophobicContact CD1-CD1 4.17Å; I95-L374 HydrophobicContact CG1-CD1 4.23Å; I95-L374 HydrophobicContact CG2-CD1 4.3Å; Y201-L374 PolarHBondContact O-N 2.57Å; L202-L374 HydrophobicContact CD2-CB 3.85Å; L202-L374 HydrophobicContact CD2-CD2 4.22Å; E203-L374 PolarHBondContact N-O 2.82Å; L217-L374 HydrophobicContact CD1-CD1 4.15Å; L217-L374 HydrophobicContact CD2-CD1 4.02Å; L217-L374 HydrophobicContact CD2-CD2 4.02Å; F372-L374 HydrophobicContact CE1-CB 3.99Å
375	Y	98.7	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104	173.1	-51.2	-87.9	0	0	0	109.2	H92 V93 F94 I95 Y201 E203 F240 I352 R359 A373	H92-Y375 HydrophobicContact CB-CE2 4.22Å; H92-Y375 AromaticContact ND1-CE2 3.84Å; H92-Y375 PolarHBondContact ND1-OH 3.41Å; V93-Y375 PolarHBondContact O-N 2.98Å; F94-Y375 AromaticContact CD1-CD2 3.64Å; F94-Y375 HydrophobicContact CD1-CD2 3.64Å; F94-Y375 HydrophobicContact CD1-CE2 4.47Å; F94-Y375 AromaticContact CD1-CG 3.81Å; F94-Y375 HydrophobicContact CD1-CG 3.81Å; F94-Y375 HydrophobicContact CD2-CD2 4.15Å; F94-Y375 HydrophobicContact CE1-CD1 4.19Å; F94-Y375 AromaticContact CE1-CD2 3.27Å; F94-Y375 HydrophobicContact CE1-CD2 3.27Å; F94-Y375 AromaticContact CE1-CE2 3.71Å; F94-Y375 HydrophobicContact CE1-CE2 3.71Å; F94-Y375 AromaticContact CE1-CG 3.52Å; F94-Y375 HydrophobicContact CE1-CG 3.52Å; F94-Y375 AromaticContact CE2-CD2 3.84Å; F94-Y375 HydrophobicContact CE2-CD2 3.84Å; F94-Y375 AromaticContact CE2-CE2 3.89Å; F94-Y375 HydrophobicContact CE2-CE2 3.89Å; F94-Y375 HydrophobicContact CG-CD2 4.05Å; F94-Y375 AromaticContact CZ-CD2 3.39Å; F94-Y375 HydrophobicContact CZ-CD2 3.39Å; F94-Y375 AromaticContact CZ-CE2 3.38Å; F94-Y375 HydrophobicContact CZ-CE2 3.38Å; F94-Y375 HydrophobicContact CZ-CG 4.1Å; I95-Y375 PolarHBondContact N-O 3.49Å; Y201-Y375 HydrophobicContact CD1-CE1 4.04Å; Y201-Y375 HydrophobicContact CE1-CD1 4.11Å; Y201-Y375 AromaticContact CE1-CE1 3.51Å; Y201-Y375 HydrophobicContact CE1-CE1 3.51Å; E203-Y375 HydrophobicContact CB-CD1 4.14Å; E203-Y375 WeakPolarHBondContact O-CA 3.4Å; E203-Y375 WeakPolarHBondContact OE2-CE1 3.4Å; F240-Y375 AromaticContact CD1-CD1 3.98Å; F240-Y375 HydrophobicContact CD1-CD1 3.98Å; F240-Y375 HydrophobicContact CE1-CD1 4.1Å; I352-Y375 HydrophobicContact CD1-CD1 3.97Å; I352-Y375 HydrophobicContact CD1-CE1 3.66Å; R359-Y375 PolarHBondContact NH1-OH 3.14Å; A373-Y375 HydrophobicContact CB-CE2 3.99Å
376	S	98.7	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.7	-179.8	-171.2	0	0	0	0	112	I95 E203 T204 T210 G214	I95-S376 WeakPolarHBondContact CD1-OG 3.43Å; E203-S376 PolarHBondContact O-N 3.19Å; T204-S376 WeakPolarHBondContact CA-O 3.46Å; T204-S376 PolarHBondContact OG1-O 3.45Å; T210-S376 WeakPolarHBondContact O-CB 3.07Å; T210-S376 PolarHBondContact O-OG 3.43Å; G214-S376 PolarHBondContact N-OG 2.79Å
377	A	98.3	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	-158.3	-155.6	0	0	0	0	0	113.2	I95 H97 T210 F240 T381 L382	I95-A377 CarbonylContact O-C 3.5Å; I95-A377 WeakPolarHBondContact O-CA 3.28Å; I95-A377 WeakPolarHBondContact O-CB 3.33Å; I95-A377 PolarHBondContact O-N 3.24Å; H97-A377 PolarHBondContact N-O 3.32Å; T210-A377 WeakPolarHBondContact CG2-O 3.26Å; F240-A377 HydrophobicContact CD2-CB 4.32Å; F240-A377 HydrophobicContact CE2-CB 3.44Å; F240-A377 VanDerWaalsContact CE2-CB 3.44Å; F240-A377 HydrophobicContact CZ-CB 3.72Å; A377-T381 HydrophobicContact CB-CG2 3.85Å; A377-L382 HydrophobicContact CB-CD1 4.27Å
378	H	98.3	Very high	97	Very high	16 Å²	16	21.3 Å²	21.3	7%	0.074	11%	0.109	C	C	.	.			trans	-122.7	170.3	-174.6	-54.1	-86.8	0	0	0	111.8	H97 T205 T210 V380 T381 L382	H97-H378 AromaticContact CD2-ND1 3.73Å; T205-H378 WeakPolarHBondContact CG2-NE2 3.41Å; T205-H378 PolarHBondContact OG1-NE2 3.1Å; T210-H378 WeakPolarHBondContact CG2-CE1 3.47Å; H378-V380 VanDerWaalsContact C-N 3.28Å; H378-V380 HydrophobicContact CB-CG2 3.62Å; H378-V380 PolarHBondContact O-N 3.48Å; H378-T381 PolarHBondContact N-OG1 2.93Å; H378-T381 WeakPolarHBondContact O-CB 3.21Å; H378-T381 PolarHBondContact O-N 2.99Å; H378-T381 VanDerWaalsContact O-N 3.07Å; H378-L382 WeakPolarHBondContact O-CD1 3.46Å; H378-L382 PolarHBondContact O-N 3.43Å
379	D	96.3	Very high	97.2	Very high	29 Å²	29	14.4 Å²	14.4	16%	0.155	8%	0.079	C	C	.	.	H	α-helix	trans	-56.8	-43.3	165.2	38.9	26.1	0	0	0	111.5	R96 T381 L382 S383 F396 P397	R96-D379 IonicContact CZ-OD2 3.45Å; R96-D379 VanDerWaalsContact CZ-OD2 3.3Å; R96-D379 IonicContact NE-OD2 3.49Å; R96-D379 PolarHBondContact NE-OD2 3.27Å; R96-D379 IonicContact NH2-OD2 3.04Å; R96-D379 PolarHBondContact NH2-OD2 3.42Å; D379-T381 PolarHBondContact O-N 2.6Å; D379-T381 VanDerWaalsContact O-N 3.07Å; D379-L382 PolarHBondContact O-N 3.15Å; D379-S383 VanDerWaalsContact O-CB 3.25Å; D379-S383 WeakPolarHBondContact O-CB 3.36Å; D379-S383 PolarHBondContact O-N 2.62Å; D379-S383 PolarHBondContact O-OG 3.13Å; D379-S383 VanDerWaalsContact O-OG 3.06Å; D379-F396 HydrophobicContact CB-CE1 3.66Å; D379-F396 HydrophobicContact CB-CE2 4.45Å; D379-F396 HydrophobicContact CB-CZ 3.49Å; D379-F396 VanDerWaalsContact CB-CZ 3.49Å; D379-P397 HydrophobicContact CB-CB 4.32Å
380	V	95.7	Very high	97.1	Very high	76 Å²	76	11.9 Å²	11.9	46%	0.461	8%	0.075	S	C	.	.	H	α-helix	trans	-64.7	-9	175.3	-62.9	0	0	0	0	114	A238 H378 P384	A238-V380 HydrophobicContact CB-CG2 3.93Å; H378-V380 VanDerWaalsContact C-N 3.28Å; H378-V380 HydrophobicContact CB-CG2 3.62Å; H378-V380 PolarHBondContact O-N 3.48Å; V380-P384 WeakPolarHBondContact O-CD 3.42Å; V380-P384 WeakPolarHBondContact O-CG 3.47Å
381	T	97.2	Very high	96.9	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-92.8	-50.9	169.1	-43.2	0	0	0	0	111	A238 F240 A377 H378 D379 P384 V385	A238-T381 VanDerWaalsContact O-CB 3.31Å; A238-T381 WeakPolarHBondContact O-CB 3.37Å; A238-T381 WeakPolarHBondContact O-CG2 3.32Å; A238-T381 PolarHBondContact O-OG1 2.77Å; F240-T381 HydrophobicContact CD2-CG2 3.56Å; F240-T381 HydrophobicContact CE2-CG2 4.03Å; F240-T381 HydrophobicContact CG-CG2 4.34Å; A377-T381 HydrophobicContact CB-CG2 3.85Å; H378-T381 PolarHBondContact N-OG1 2.93Å; H378-T381 WeakPolarHBondContact O-CB 3.21Å; H378-T381 PolarHBondContact O-N 2.99Å; H378-T381 VanDerWaalsContact O-N 3.07Å; D379-T381 PolarHBondContact O-N 2.6Å; D379-T381 VanDerWaalsContact O-N 3.07Å; T381-P384 VanDerWaalsContact O-CD 3.27Å; T381-P384 WeakPolarHBondContact O-CD 3.4Å; T381-P384 VanDerWaalsContact O-CG 3.31Å; T381-P384 WeakPolarHBondContact O-CG 3.13Å; T381-V385 WeakPolarHBondContact O-CG2 3.42Å; T381-V385 PolarHBondContact O-N 3.44Å
382	L	97.8	Very high	95.9	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-70.7	-41	-175.2	-88.5	67.2	0	0	0	112.1	F94 R96 A377 H378 D379 V385 L386 P397 A401	F94-L382 HydrophobicContact CB-CD1 4.25Å; R96-L382 HydrophobicContact CB-CD2 4.33Å; A377-L382 HydrophobicContact CB-CD1 4.27Å; H378-L382 WeakPolarHBondContact O-CD1 3.46Å; H378-L382 PolarHBondContact O-N 3.43Å; D379-L382 PolarHBondContact O-N 3.15Å; L382-V385 PolarHBondContact O-N 2.7Å; L382-V385 VanDerWaalsContact O-N 3.16Å; L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.98Å; L382-P397 HydrophobicContact CB-CB 4.14Å; L382-P397 HydrophobicContact CB-CG 3.71Å; L382-P397 HydrophobicContact CD2-CB 4.38Å; L382-A401 HydrophobicContact CD2-CB 4.24Å
383	S	95.8	Very high	94.9	Very high	18 Å²	18	17 Å²	17	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-55.6	-50.7	-179.7	-67.1	0	0	0	0	113.5	Y341 D379 S387 P397	Y341-S383 WeakPolarHBondContact OH-CB 3.35Å; D379-S383 VanDerWaalsContact O-CB 3.25Å; D379-S383 WeakPolarHBondContact O-CB 3.36Å; D379-S383 PolarHBondContact O-N 2.62Å; D379-S383 PolarHBondContact O-OG 3.13Å; D379-S383 VanDerWaalsContact O-OG 3.06Å; S383-S387 WeakPolarHBondContact O-CB 3.5Å; S383-S387 PolarHBondContact O-N 3.4Å; S383-P397 WeakPolarHBondContact OG-CD 3.36Å; S383-P397 WeakPolarHBondContact OG-CG 3.06Å
384	P	95.8	Very high	94.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.013	11%	0.11	C	C	.	.	H	α-helix	trans	-67.8	-33	175.8	26	-32.9	0	0	0	112.9	L239 Y341 Y344 S345 V380 T381 S387 A388	L239-P384 HydrophobicContact CD2-CG 4.31Å; Y341-P384 WeakPolarHBondContact OH-CD 3.15Å; Y344-P384 HydrophobicContact CE1-CB 4.19Å; S345-P384 WeakPolarHBondContact CB-O 3.46Å; S345-P384 WeakPolarHBondContact OG-CA 3.38Å; V380-P384 WeakPolarHBondContact O-CD 3.42Å; V380-P384 WeakPolarHBondContact O-CG 3.47Å; T381-P384 VanDerWaalsContact O-CD 3.27Å; T381-P384 WeakPolarHBondContact O-CD 3.4Å; T381-P384 VanDerWaalsContact O-CG 3.31Å; T381-P384 WeakPolarHBondContact O-CG 3.13Å; P384-S387 PolarHBondContact O-N 3.36Å; P384-A388 VanDerWaalsContact O-CB 3.26Å; P384-A388 WeakPolarHBondContact O-CB 3.41Å; P384-A388 PolarHBondContact O-N 3.04Å
385	V	97.6	Very high	93.4	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-49.9	174.5	175.8	0	0	0	0	110.6	A349 I352 L353 T381 L382 S387 A388 L389 L403	A349-V385 HydrophobicContact CB-CB 4.47Å; A349-V385 HydrophobicContact CB-CG2 3.93Å; I352-V385 HydrophobicContact CG2-CG2 4.03Å; L353-V385 HydrophobicContact CD2-CG1 4.13Å; T381-V385 WeakPolarHBondContact O-CG2 3.42Å; T381-V385 PolarHBondContact O-N 3.44Å; L382-V385 PolarHBondContact O-N 2.7Å; L382-V385 VanDerWaalsContact O-N 3.16Å; V385-S387 VanDerWaalsContact C-N 3.34Å; V385-S387 PolarHBondContact O-N 3.06Å; V385-A388 PolarHBondContact O-N 3.13Å; V385-A388 VanDerWaalsContact O-N 3.17Å; V385-L389 HydrophobicContact CG1-CD1 4.25Å; V385-L389 HydrophobicContact CG1-CG 4.45Å; V385-L389 WeakPolarHBondContact O-CG 3.04Å; V385-L389 PolarHBondContact O-N 3.43Å; V385-L403 HydrophobicContact CB-CD2 4.29Å; V385-L403 HydrophobicContact CG1-CD2 3.47Å; V385-L403 VanDerWaalsContact CG1-CD2 3.47Å
386	L	97.1	Very high	93	Very high	6 Å²	6	23 Å²	23	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-57	-46.9	177	-68.8	169	0	0	0	111.5	L382 A388 L389 G390 L391 A394 P397 L403 Y423	L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.98Å; L386-A388 PolarHBondContact O-N 3.13Å; L386-L389 PolarHBondContact O-N 3.3Å; L386-G390 PolarHBondContact O-N 3.17Å; L386-L391 HydrophobicContact CD2-CD1 3.91Å; L386-L391 WeakPolarHBondContact O-CB 3.3Å; L386-L391 PolarHBondContact O-N 3.44Å; L386-A394 HydrophobicContact CD1-CB 4.4Å; L386-P397 HydrophobicContact CD1-CG 4.14Å; L386-L403 HydrophobicContact CD2-CD1 4.1Å; L386-L403 HydrophobicContact CD2-CD2 4.26Å; L386-Y423 HydrophobicContact CD1-CD2 4.34Å; L386-Y423 HydrophobicContact CD1-CE1 4.21Å; L386-Y423 HydrophobicContact CD1-CE2 3.78Å; L386-Y423 HydrophobicContact CD2-CD1 4.48Å; L386-Y423 HydrophobicContact CD2-CD2 3.99Å; L386-Y423 HydrophobicContact CD2-CE2 4.28Å; L386-Y423 HydrophobicContact CD2-CG 4.11Å
387	S	95.4	Very high	92.8	Very high	17 Å²	17	23 Å²	23	12%	0.119	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-41.1	177	-176.1	0	0	0	0	112.2	L342 S345 S383 P384 V385 G390	L342-S387 VanDerWaalsContact CD1-O 3.29Å; L342-S387 WeakPolarHBondContact CD1-O 3.4Å; S345-S387 WeakPolarHBondContact OG-CB 3.28Å; S383-S387 WeakPolarHBondContact O-CB 3.5Å; S383-S387 PolarHBondContact O-N 3.4Å; P384-S387 PolarHBondContact O-N 3.36Å; V385-S387 VanDerWaalsContact C-N 3.34Å; V385-S387 PolarHBondContact O-N 3.06Å; S387-G390 PolarHBondContact O-N 2.92Å; S387-G390 VanDerWaalsContact O-N 3.13Å
388	A	96.1	Very high	92.7	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-38.4	178.8	0	0	0	0	0	111.9	L346 A349 L353 P384 V385 L386 G390 F455	L346-A388 HydrophobicContact CD2-CB 4.27Å; A349-A388 HydrophobicContact CB-CB 3.79Å; L353-A388 HydrophobicContact CD1-CB 4.37Å; P384-A388 VanDerWaalsContact O-CB 3.26Å; P384-A388 WeakPolarHBondContact O-CB 3.41Å; P384-A388 PolarHBondContact O-N 3.04Å; V385-A388 PolarHBondContact O-N 3.13Å; V385-A388 VanDerWaalsContact O-N 3.17Å; L386-A388 PolarHBondContact O-N 3.13Å; A388-G390 PolarHBondContact O-N 2.98Å; A388-G390 VanDerWaalsContact O-N 3.09Å; A388-F455 WeakPolarHBondContact O-CZ 3.04Å
389	L	96.6	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.4	175.1	-59.9	178.9	0	0	0	113.6	L353 V385 L386 L391 L403 F405 I421 T432 S433 F434 F455	L353-L389 HydrophobicContact CD1-CD2 4.18Å; L353-L389 HydrophobicContact CD2-CD2 4.02Å; V385-L389 HydrophobicContact CG1-CD1 4.25Å; V385-L389 HydrophobicContact CG1-CG 4.45Å; V385-L389 WeakPolarHBondContact O-CG 3.04Å; V385-L389 PolarHBondContact O-N 3.43Å; L386-L389 PolarHBondContact O-N 3.3Å; L389-L391 VanDerWaalsContact C-N 3.35Å; L389-L391 HydrophobicContact CB-CD1 4.26Å; L389-L391 HydrophobicContact CB-CG 4.21Å; L389-L391 HydrophobicContact CD1-CD1 4.36Å; L389-L403 HydrophobicContact CD1-CD2 4.45Å; L389-F405 HydrophobicContact CD1-CE1 4.39Å; L389-F405 HydrophobicContact CD1-CZ 3.82Å; L389-F405 HydrophobicContact CD2-CE1 4.47Å; L389-F405 HydrophobicContact CD2-CZ 4.4Å; L389-I421 HydrophobicContact CD1-CG2 4.17Å; L389-T432 HydrophobicContact CB-CG2 4.35Å; L389-T432 CarbonylContact O-C 3.54Å; L389-T432 WeakPolarHBondContact O-CA 3.49Å; L389-T432 WeakPolarHBondContact O-CB 3.1Å; L389-S433 PolarHBondContact O-N 3.14Å; L389-S433 PolarHBondContact O-OG 3.45Å; L389-F434 HydrophobicContact CD2-CE1 4.03Å; L389-F455 HydrophobicContact CD2-CE1 4.37Å
390	G	93.9	Very high	92.8	Very high	31 Å²	31	23 Å²	23	32%	0.32	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	8.7	-177.3	0	0	0	0	0	114.2	L386 S387 A388 S392	L386-G390 PolarHBondContact O-N 3.17Å; S387-G390 PolarHBondContact O-N 2.92Å; S387-G390 VanDerWaalsContact O-N 3.13Å; A388-G390 PolarHBondContact O-N 2.98Å; A388-G390 VanDerWaalsContact O-N 3.09Å; G390-S392 PolarHBondContact O-N 3.4Å
391	L	92.6	Very high	92.8	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.108	C	C	.	.			trans	-85.4	51.8	-179.8	-57	172.5	0	0	0	110.8	L386 L389 E393 A394 V428 H431 T432	L386-L391 HydrophobicContact CD2-CD1 3.91Å; L386-L391 WeakPolarHBondContact O-CB 3.3Å; L386-L391 PolarHBondContact O-N 3.44Å; L389-L391 VanDerWaalsContact C-N 3.35Å; L389-L391 HydrophobicContact CB-CD1 4.26Å; L389-L391 HydrophobicContact CB-CG 4.21Å; L389-L391 HydrophobicContact CD1-CD1 4.36Å; L391-E393 PolarHBondContact O-N 2.97Å; L391-A394 HydrophobicContact CB-CB 4.13Å; L391-A394 WeakPolarHBondContact O-CB 3.42Å; L391-A394 PolarHBondContact O-N 3.2Å; L391-V428 HydrophobicContact CD1-CB 4.23Å; L391-V428 HydrophobicContact CD1-CG2 3.68Å; L391-V428 HydrophobicContact CD2-CB 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.32Å; L391-H431 HydrophobicContact CD2-CB 3.71Å; L391-T432 HydrophobicContact CD1-CG2 4.42Å; L391-T432 HydrophobicContact CD2-CG2 4.12Å; L391-T432 HydrophobicContact CG-CG2 4.33Å
392	S	76.3	Confident	92.9	Very high	55 Å²	55	19.3 Å²	19.3	39%	0.385	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.1	-175.6	57.4	0	0	0	0	112.9	R336 G390 A394	R336-S392 PolarHBondContact NE-O 2.9Å; R336-S392 PolarHBondContact NH2-O 3.28Å; R336-S392 VanDerWaalsContact NH2-O 3.09Å; G390-S392 PolarHBondContact O-N 3.4Å; S392-A394 VanDerWaalsContact C-N 3.27Å; S392-A394 PolarHBondContact O-N 3.07Å
393	E	77.5	Confident	92.9	Very high	94 Å²	94	19.2 Å²	19.2	44%	0.439	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.5	178.5	-60.5	-50.5	122.1	0	0	113.4	V52 R336 L391 R395	V52-E393 HydrophobicContact CG1-CB 4.18Å; R336-E393 IonicContact CZ-OE2 2.98Å; R336-E393 IonicContact NH1-OE1 2.76Å; R336-E393 IonicContact NH1-OE2 3.32Å; R336-E393 PolarHBondContact NH1-OE2 3.5Å; R336-E393 PolarHBondContact NH2-O 3.47Å; L391-E393 PolarHBondContact O-N 2.97Å; E393-R395 PolarHBondContact O-N 3.25Å
394	A	83.3	Confident	93	Very high	14 Å²	14	18.4 Å²	18.4	12%	0.116	10%	0.101	C	C	.	.	S	Bend	trans	-57.9	133.5	175.1	0	0	0	0	0	110.3	R336 L386 L391 S392 Y423	R336-A394 PolarHBondContact NH2-O 3.5Å; L386-A394 HydrophobicContact CD1-CB 4.4Å; L391-A394 HydrophobicContact CB-CB 4.13Å; L391-A394 WeakPolarHBondContact O-CB 3.42Å; L391-A394 PolarHBondContact O-N 3.2Å; S392-A394 VanDerWaalsContact C-N 3.27Å; S392-A394 PolarHBondContact O-N 3.07Å; A394-Y423 HydrophobicContact CB-CD1 4.19Å; A394-Y423 HydrophobicContact CB-CE1 4.02Å
395	R	83.4	Confident	93.2	Very high	52 Å²	52	18.3 Å²	18.3	20%	0.196	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-58.6	148.7	173.7	-71.5	-178.1	163.3	147.2	-1.4	111.1	E54 L66 E393 Y423	E54-R395 IonicContact OE1-CZ 2.74Å; E54-R395 IonicContact OE1-NH1 2.75Å; E54-R395 PolarHBondContact OE1-NH1 3.12Å; E54-R395 IonicContact OE1-NH2 2.76Å; E54-R395 PolarHBondContact OE1-NH2 2.68Å; E54-R395 IonicContact OE2-CZ 3.42Å; E54-R395 IonicContact OE2-NH1 3.37Å; E54-R395 PolarHBondContact OE2-NH1 3.41Å; E54-R395 IonicContact OE2-NH2 3.22Å; E54-R395 PolarHBondContact OE2-NH2 2.9Å; L66-R395 VanDerWaalsContact CD1-NH1 3.34Å; E393-R395 PolarHBondContact O-N 3.25Å; R395-Y423 PolarHBondContact O-OH 2.73Å
396	F	89	Confident	93.2	Very high	60 Å²	60	18.1 Å²	18.1	26%	0.263	10%	0.099	S	C	.	.	P	Polyproline II helix	trans	-47.7	138.5	172.2	-171.4	-89.8	0	0	0	110.8	Y67 E332 D379 R398	Y67-F396 HydrophobicContact CD2-CD1 4.16Å; Y67-F396 HydrophobicContact CE2-CD1 4.13Å; Y67-F396 HydrophobicContact CE2-CE1 4.03Å; E332-F396 WeakPolarHBondContact OE1-CD2 3.47Å; D379-F396 HydrophobicContact CB-CE1 3.66Å; D379-F396 HydrophobicContact CB-CE2 4.45Å; D379-F396 HydrophobicContact CB-CZ 3.49Å; D379-F396 VanDerWaalsContact CB-CZ 3.49Å; F396-R398 PolarHBondContact O-N 2.94Å
397	P	95.1	Very high	93.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.098	C	C	.	.			trans	-56.5	103.2	-179.6	-26.6	36.1	0	0	0	112.5	R96 D379 L382 S383 L386 A401 Y423	R96-P397 VanDerWaalsContact CD-O 3.24Å; R96-P397 WeakPolarHBondContact CD-O 3.35Å; R96-P397 VanDerWaalsContact CZ-O 3.32Å; R96-P397 PolarHBondContact NE-O 3.44Å; R96-P397 PolarHBondContact NH1-O 3.03Å; D379-P397 HydrophobicContact CB-CB 4.32Å; L382-P397 HydrophobicContact CB-CB 4.14Å; L382-P397 HydrophobicContact CB-CG 3.71Å; L382-P397 HydrophobicContact CD2-CB 4.38Å; S383-P397 WeakPolarHBondContact OG-CD 3.36Å; S383-P397 WeakPolarHBondContact OG-CG 3.06Å; L386-P397 HydrophobicContact CD1-CG 4.14Å; P397-A401 HydrophobicContact CB-CB 4.13Å; P397-Y423 VanDerWaalsContact CA-OH 3.28Å; P397-Y423 WeakPolarHBondContact CA-OH 3.49Å
398	R	95.6	Very high	93.4	Very high	37 Å²	37	17.1 Å²	17.1	14%	0.14	9%	0.092	C	C	.	.			trans	-59	163.3	170.1	62.5	179	169.3	110.1	-11.7	111.6	Y67 N69 E75 R96 F396 A400 A401 N424	Y67-R398 WeakPolarHBondContact O-CB 3.13Å; N69-R398 HydrophobicContact CB-CB 4.36Å; N69-R398 HydrophobicContact CB-CG 4.33Å; N69-R398 PolarHBondContact ND2-NH1 3.41Å; N69-R398 PolarHBondContact OD1-NH1 3.16Å; E75-R398 VanDerWaalsContact CD-NH2 3.34Å; E75-R398 IonicContact OE1-CZ 3.29Å; E75-R398 VanDerWaalsContact OE1-CZ 3.22Å; E75-R398 IonicContact OE1-NH1 3.33Å; E75-R398 PolarHBondContact OE1-NH1 3.17Å; E75-R398 IonicContact OE1-NH2 2.92Å; E75-R398 PolarHBondContact OE1-NH2 3.31Å; E75-R398 IonicContact OE2-NH2 3.27Å; E75-R398 PolarHBondContact OE2-NH2 2.86Å; R96-R398 VanDerWaalsContact CD-O 3.23Å; R96-R398 WeakPolarHBondContact CD-O 3.42Å; F396-R398 PolarHBondContact O-N 2.94Å; R398-A400 PolarHBondContact O-N 3.4Å; R398-A401 HydrophobicContact CG-CB 4.01Å; R398-A401 WeakPolarHBondContact O-CB 3.41Å; R398-A401 PolarHBondContact O-N 3.48Å; R398-N424 PolarHBondContact NE-ND2 2.93Å
399	F	98.3	Very high	93.5	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139.8	174	-75	-50.6	0	0	0	110.8	Y67 N69 R96 H97 G98 D99 R100 A401	Y67-F399 HydrophobicContact CD1-CD2 4.35Å; Y67-F399 HydrophobicContact CD1-CE2 4.24Å; Y67-F399 AromaticContact CE1-CD2 3.86Å; Y67-F399 HydrophobicContact CE1-CD2 3.86Å; Y67-F399 HydrophobicContact CE1-CE1 4.47Å; Y67-F399 AromaticContact CE1-CE2 3.4Å; Y67-F399 HydrophobicContact CE1-CE2 3.4Å; Y67-F399 VanDerWaalsContact CE1-CE2 3.4Å; Y67-F399 AromaticContact CE1-CZ 3.76Å; Y67-F399 HydrophobicContact CE1-CZ 3.76Å; Y67-F399 AromaticContact CZ-CE2 3.95Å; Y67-F399 AromaticContact CZ-CZ 3.85Å; Y67-F399 PolarHBondContact O-N 3.38Å; Y67-F399 VanDerWaalsContact OH-CZ 3.32Å; Y67-F399 WeakPolarHBondContact OH-CZ 2.69Å; N69-F399 HydrophobicContact CB-CB 4.48Å; N69-F399 WeakPolarHBondContact CB-O 3.38Å; N69-F399 PolarHBondContact ND2-O 3.17Å; R96-F399 VanDerWaalsContact NH1-N 3.2Å; H97-F399 AromaticContact CE1-CE1 3.95Å; G98-F399 WeakPolarHBondContact O-CD1 3.33Å; D99-F399 HydrophobicContact CB-CB 4.4Å; D99-F399 HydrophobicContact CB-CD2 3.92Å; D99-F399 HydrophobicContact CB-CE2 4.33Å; D99-F399 HydrophobicContact CB-CG 4.16Å; D99-F399 WeakPolarHBondContact OD2-CE2 3.24Å; R100-F399 HydrophobicContact CG-CE1 3.89Å; R100-F399 HydrophobicContact CG-CZ 4.07Å; F399-A401 PolarHBondContact O-N 3.18Å; F399-A401 VanDerWaalsContact O-N 3.11Å
400	A	98.1	Very high	93.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	24.1	-175	0	0	0	0	0	115.3	R96 H97 Q172 H173 N176 R398	R96-A400 WeakPolarHBondContact O-CA 3.18Å; H97-A400 PolarHBondContact O-N 2.91Å; Q172-A400 HydrophobicContact CB-CB 3.48Å; Q172-A400 VanDerWaalsContact CB-CB 3.48Å; Q172-A400 HydrophobicContact CG-CB 4.16Å; H173-A400 WeakPolarHBondContact NE2-CB 3.49Å; N176-A400 PolarHBondContact ND2-O 2.91Å; R398-A400 PolarHBondContact O-N 3.4Å
401	A	97.7	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.119	C	C	.	.			trans	-58.1	144.1	170.9	0	0	0	0	0	110.7	I95 R96 L382 P397 R398 F399 Y423 N424	I95-A401 VanDerWaalsContact CA-O 3.29Å; I95-A401 WeakPolarHBondContact CA-O 3.4Å; R96-A401 HydrophobicContact CB-CB 4.39Å; R96-A401 PolarHBondContact N-O 3Å; L382-A401 HydrophobicContact CD2-CB 4.24Å; P397-A401 HydrophobicContact CB-CB 4.13Å; R398-A401 HydrophobicContact CG-CB 4.01Å; R398-A401 WeakPolarHBondContact O-CB 3.41Å; R398-A401 PolarHBondContact O-N 3.48Å; F399-A401 PolarHBondContact O-N 3.18Å; F399-A401 VanDerWaalsContact O-N 3.11Å; A401-Y423 HydrophobicContact CB-CE2 4.25Å; A401-N424 WeakPolarHBondContact CA-OD1 3.38Å
402	R	97.3	Very high	93.4	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.2	178.1	66.4	-172.8	-176.3	-81.6	-10.8	111.4	E75 E79 F94 I95 N176 I404 N424	E75-R402 IonicContact OE2-CZ 2.92Å; E75-R402 IonicContact OE2-NH1 3.95Å; E75-R402 PolarHBondContact OE2-NH1 3.44Å; E75-R402 IonicContact OE2-NH2 2.68Å; E75-R402 PolarHBondContact OE2-NH2 3.25Å; E79-R402 IonicContact OE1-CZ 2.84Å; E79-R402 VanDerWaalsContact OE1-CZ 3.31Å; E79-R402 IonicContact OE1-NE 3.39Å; E79-R402 PolarHBondContact OE1-NE 2.93Å; E79-R402 IonicContact OE1-NH2 3.07Å; E79-R402 PolarHBondContact OE1-NH2 2.99Å; F94-R402 CarbonylContact O-C 3.56Å; F94-R402 VanDerWaalsContact O-CA 3.28Å; F94-R402 WeakPolarHBondContact O-CA 3.41Å; I95-R402 HydrophobicContact CG2-CB 4.11Å; N176-R402 PolarHBondContact OD1-NH1 3.15Å; R402-I404 HydrophobicContact CG-CD1 4.41Å; R402-N424 PolarHBondContact N-OD1 3.24Å; R402-N424 PolarHBondContact O-N 3.4Å
403	L	98.5	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.8	169.1	169.6	67.6	0	0	0	107.6	F94 V385 L386 L389 F405 I421 L422 Y423	F94-L403 HydrophobicContact CB-CB 4.19Å; F94-L403 PolarHBondContact N-O 3.33Å; F94-L403 PolarHBondContact O-N 3.26Å; V385-L403 HydrophobicContact CB-CD2 4.29Å; V385-L403 HydrophobicContact CG1-CD2 3.47Å; V385-L403 VanDerWaalsContact CG1-CD2 3.47Å; L386-L403 HydrophobicContact CD2-CD1 4.1Å; L386-L403 HydrophobicContact CD2-CD2 4.26Å; L389-L403 HydrophobicContact CD1-CD2 4.45Å; L403-F405 HydrophobicContact CD1-CE2 4.4Å; L403-F405 HydrophobicContact CD2-CE2 3.86Å; L403-F405 HydrophobicContact CD2-CZ 4.46Å; L403-F405 HydrophobicContact CG-CD2 4.44Å; L403-F405 HydrophobicContact CG-CE2 3.88Å; L403-I421 HydrophobicContact CD1-CG2 3.67Å; L403-L422 CarbonylContact C-O 3.54Å; L403-L422 WeakPolarHBondContact CA-O 3.45Å; L403-L422 WeakPolarHBondContact CD1-O 3.3Å; L403-Y423 HydrophobicContact CB-CD2 4.43Å
404	I	98.8	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135	-173.2	-59.4	176.9	0	0	0	110	E79 V91 H92 V93 L180 R402 E406 I421 L422	E79-I404 HydrophobicContact CG-CD1 3.66Å; V91-I404 HydrophobicContact CG1-CG2 3.75Å; H92-I404 CarbonylContact O-C 3.51Å; H92-I404 VanDerWaalsContact O-CA 3.27Å; H92-I404 WeakPolarHBondContact O-CA 3.49Å; V93-I404 HydrophobicContact CG1-CG1 4.16Å; V93-I404 HydrophobicContact CG2-CG1 4.25Å; L180-I404 HydrophobicContact CD2-CD1 3.68Å; R402-I404 HydrophobicContact CG-CD1 4.41Å; I404-E406 HydrophobicContact CG2-CG 3.89Å; I404-I421 CarbonylContact O-C 3.56Å; I404-I421 WeakPolarHBondContact O-CA 3.43Å; I404-L422 HydrophobicContact CB-CB 4.3Å; I404-L422 HydrophobicContact CB-CD1 4.39Å; I404-L422 HydrophobicContact CG2-CD1 4.37Å; I404-L422 PolarHBondContact N-O 3.37Å; I404-L422 PolarHBondContact O-N 2.95Å
405	F	98.8	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.7	167.7	-60.5	-121.9	0	0	0	108	V91 H92 F94 L353 T356 M360 L389 L403 R420 I421 L452	V91-F405 WeakPolarHBondContact CA-O 3.47Å; H92-F405 HydrophobicContact CB-CB 4.24Å; H92-F405 PolarHBondContact N-O 3.46Å; H92-F405 PolarHBondContact O-N 2.96Å; F94-F405 HydrophobicContact CD2-CD2 4.01Å; F94-F405 AromaticContact CD2-CE2 3.92Å; F94-F405 HydrophobicContact CD2-CE2 3.92Å; F94-F405 AromaticContact CE2-CD2 3.76Å; F94-F405 HydrophobicContact CE2-CD2 3.76Å; F94-F405 AromaticContact CE2-CE2 3.7Å; F94-F405 HydrophobicContact CE2-CE2 3.7Å; L353-F405 HydrophobicContact CD2-CE1 4.09Å; L353-F405 HydrophobicContact CD2-CZ 3.72Å; T356-F405 HydrophobicContact CG2-CD1 4.27Å; T356-F405 HydrophobicContact CG2-CG 4.28Å; M360-F405 HydrophobicContact CE-CB 3.34Å; M360-F405 HydrophobicContact CE-CG 4.4Å; L389-F405 HydrophobicContact CD1-CE1 4.39Å; L389-F405 HydrophobicContact CD1-CZ 3.82Å; L389-F405 HydrophobicContact CD2-CE1 4.47Å; L389-F405 HydrophobicContact CD2-CZ 4.4Å; L403-F405 HydrophobicContact CD1-CE2 4.4Å; L403-F405 HydrophobicContact CD2-CE2 3.86Å; L403-F405 HydrophobicContact CD2-CZ 4.46Å; L403-F405 HydrophobicContact CG-CD2 4.44Å; L403-F405 HydrophobicContact CG-CE2 3.88Å; F405-R420 CarbonylContact C-O 3.58Å; F405-R420 WeakPolarHBondContact CA-O 3.48Å; F405-I421 HydrophobicContact CB-CD1 4.24Å; F405-I421 HydrophobicContact CD1-CD1 3.16Å; F405-I421 HydrophobicContact CD2-CD1 4.49Å; F405-I421 HydrophobicContact CE1-CD1 3.49Å; F405-I421 VanDerWaalsContact CE1-CD1 3.49Å; F405-I421 HydrophobicContact CG-CD1 3.71Å; F405-I421 HydrophobicContact CZ-CD1 4.28Å; F405-L452 HydrophobicContact CD1-CD2 3.96Å; F405-L452 HydrophobicContact CE1-CD2 4.13Å
406	E	98.8	Very high	95.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132	175.4	-59.3	179.3	157.6	0	0	109.7	E79 G80 L88 Y184 I404 W408 V419 R420 L422	E79-E406 WeakPolarHBondContact CA-OE1 3.17Å; G80-E406 PolarHBondContact N-OE1 3.34Å; L88-E406 HydrophobicContact CD1-CB 3.88Å; L88-E406 HydrophobicContact CD1-CG 4.29Å; Y184-E406 VanDerWaalsContact CE1-OE1 3.24Å; Y184-E406 WeakPolarHBondContact CE1-OE1 3.42Å; Y184-E406 PolarHBondContact OH-OE1 3.4Å; I404-E406 HydrophobicContact CG2-CG 3.89Å; E406-W408 VanDerWaalsContact CB-NE1 3.32Å; E406-W408 VanDerWaalsContact OE2-CZ2 3.31Å; E406-W408 WeakPolarHBondContact OE2-CZ2 3.48Å; E406-W408 PolarHBondContact OE2-NE1 3.24Å; E406-V419 CarbonylContact O-C 3.53Å; E406-V419 VanDerWaalsContact O-CA 3.32Å; E406-V419 WeakPolarHBondContact O-CA 3.48Å; E406-R420 HydrophobicContact CB-CB 4.28Å; E406-R420 PolarHBondContact N-O 3.18Å; E406-R420 PolarHBondContact O-N 3.17Å; E406-L422 VanDerWaalsContact CD-CD1 3.4Å; E406-L422 HydrophobicContact CG-CD1 3.83Å; E406-L422 WeakPolarHBondContact OE1-CD1 3.41Å
407	L	98.6	Very high	96	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	171.3	179.1	66.6	0	0	0	109.6	V89 S90 M360 A363 T364 H417 L449	V89-L407 HydrophobicContact CB-CD2 4.19Å; V89-L407 HydrophobicContact CB-CG 4.24Å; V89-L407 HydrophobicContact CG1-CD2 4.21Å; V89-L407 PolarHBondContact N-O 3.34Å; S90-L407 PolarHBondContact O-N 3.38Å; M360-L407 HydrophobicContact CB-CD2 4.18Å; M360-L407 HydrophobicContact CE-CB 4.29Å; M360-L407 HydrophobicContact CG-CB 4.48Å; M360-L407 WeakPolarHBondContact O-CD2 3.13Å; A363-L407 HydrophobicContact CB-CD2 3.81Å; T364-L407 HydrophobicContact CG2-CD1 4.4Å; T364-L407 HydrophobicContact CG2-CD2 4.09Å; L407-H417 HydrophobicContact CD1-CB 4.02Å; L407-L449 HydrophobicContact CD1-CB 4.45Å; L407-L449 HydrophobicContact CD1-CD1 4.19Å; L407-L449 HydrophobicContact CD1-CD2 3.84Å; L407-L449 HydrophobicContact CD1-CG 4.37Å
408	W	98.3	Very high	96.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.2	-178.4	-64.5	89.7	0	0	0	110.5	A82 F86 K87 L88 H188 E406 H417 S418 M446	A82-W408 HydrophobicContact CB-CD2 3.91Å; A82-W408 HydrophobicContact CB-CE3 3.65Å; A82-W408 HydrophobicContact CB-CH2 3.65Å; A82-W408 HydrophobicContact CB-CZ2 3.92Å; A82-W408 HydrophobicContact CB-CZ3 3.51Å; F86-W408 HydrophobicContact CB-CB 4.42Å; F86-W408 HydrophobicContact CB-CE3 3.83Å; F86-W408 HydrophobicContact CD1-CB 3.76Å; F86-W408 HydrophobicContact CG-CB 4.46Å; K87-W408 CarbonylContact O-C 3.58Å; K87-W408 WeakPolarHBondContact O-CA 3.45Å; L88-W408 HydrophobicContact CB-CE3 3.99Å; L88-W408 HydrophobicContact CB-CH2 4.06Å; L88-W408 HydrophobicContact CB-CZ3 3.75Å; L88-W408 HydrophobicContact CD1-CD2 3.99Å; L88-W408 HydrophobicContact CD1-CE3 4.32Å; L88-W408 HydrophobicContact CD1-CH2 4.16Å; L88-W408 HydrophobicContact CD1-CZ2 3.79Å; L88-W408 HydrophobicContact CD1-CZ3 4.4Å; H188-W408 AromaticContact CE1-CH2 3.47Å; H188-W408 VanDerWaalsContact CE1-CH2 3.47Å; H188-W408 WeakPolarHBondContact CE1-CH2 3.02Å; H188-W408 AromaticContact CE1-CZ3 3.73Å; H188-W408 AromaticContact NE2-CH2 3.73Å; E406-W408 VanDerWaalsContact CB-NE1 3.32Å; E406-W408 VanDerWaalsContact OE2-CZ2 3.31Å; E406-W408 WeakPolarHBondContact OE2-CZ2 3.48Å; E406-W408 PolarHBondContact OE2-NE1 3.24Å; W408-H417 CarbonylContact O-C 3.13Å; W408-H417 VanDerWaalsContact O-CA 3.29Å; W408-H417 WeakPolarHBondContact O-CA 3.41Å; W408-S418 PolarHBondContact N-O 3.2Å; W408-S418 PolarHBondContact O-N 3.37Å; W408-M446 HydrophobicContact CB-CE 4.19Å; W408-M446 VanDerWaalsContact CD1-CE 3.48Å; W408-M446 HydrophobicContact CD2-CE 4.34Å; W408-M446 HydrophobicContact CG-CE 3.75Å
409	Q	97.3	Very high	96.3	Very high	49 Å²	49	38.3 Å²	38.3	23%	0.229	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.1	172.4	177.3	-179.4	50	0	0	109.4	F86 K87 V89 R411 P414	F86-Q409 CarbonylContact C-O 3.12Å; F86-Q409 WeakPolarHBondContact CA-O 3.28Å; K87-Q409 PolarHBondContact N-O 3.13Å; K87-Q409 PolarHBondContact O-N 3.01Å; V89-Q409 HydrophobicContact CG2-CB 3.52Å; Q409-R411 PolarHBondContact O-N 3.4Å; Q409-P414 PolarHBondContact NE2-O 3.26Å
410	D	95	Very high	96.2	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.2	170.2	-173.3	-15.8	0	0	0	109.5	H85 F86 E412 K413 P414 E416	H85-D410 IonicContact CD2-OD1 3.44Å; H85-D410 PolarHBondContact CD2-OD1 3.43Å; F86-D410 HydrophobicContact CD1-CB 4.36Å; F86-D410 HydrophobicContact CE1-CB 3.95Å; F86-D410 HydrophobicContact CZ-CB 4.3Å; D410-E412 VanDerWaalsContact C-N 3.3Å; D410-E412 WeakPolarHBondContact OD1-CB 3.39Å; D410-E412 PolarHBondContact OD1-N 3.34Å; D410-K413 HydrophobicContact CB-CB 4.26Å; D410-K413 CarbonylContact O-C 3.49Å; D410-K413 PolarHBondContact O-N 2.93Å; D410-K413 VanDerWaalsContact O-O 3.06Å; D410-K413 PolarHBondContact OD1-N 2.91Å; D410-P414 WeakPolarHBondContact O-CA 3.08Å; D410-E416 HydrophobicContact CB-CB 4.33Å; D410-E416 PolarHBondContact N-O 3.2Å; D410-E416 VanDerWaalsContact N-O 3.08Å
411	R	93.2	Very high	96.2	Very high	160 Å²	160	38.8 Å²	38.8	60%	0.604	19%	0.185	S	C	*	.	S	Bend	trans	-71.2	-26.9	178.5	-68.7	174.7	-177.7	-141	1.2	112.7	H85 K87 Q409 K413	H85-R411 WeakPolarHBondContact O-CB 3.44Å; H85-R411 WeakPolarHBondContact O-CD 3.37Å; H85-R411 WeakPolarHBondContact O-CG 3.49Å; H85-R411 PolarHBondContact O-N 2.77Å; K87-R411 HydrophobicContact CB-CG 4.18Å; Q409-R411 PolarHBondContact O-N 3.4Å; R411-K413 VanDerWaalsContact C-N 3.3Å
412	E	93.1	Very high	96.2	Very high	136 Å²	136	38.8 Å²	38.8	64%	0.636	19%	0.185	S	C	*	.	S	Bend	trans	-78	-24.2	176.5	-62.9	176.6	-172.3	0	0	110.7	H85 D410	H85-E412 HydrophobicContact CB-CG 4.11Å; H85-E412 IonicContact CG-OE1 2.6Å; D410-E412 VanDerWaalsContact C-N 3.3Å; D410-E412 WeakPolarHBondContact OD1-CB 3.39Å; D410-E412 PolarHBondContact OD1-N 3.34Å
413	K	92.8	Very high	96.1	Very high	100 Å²	100	39 Å²	39	44%	0.435	19%	0.186	S	C	.	.	S	Bend	trans	-135.5	80.7	177.4	-59	-175.9	-173.4	173.8	0	110.7	D410 R411 N415 E416	D410-K413 HydrophobicContact CB-CB 4.26Å; D410-K413 CarbonylContact O-C 3.49Å; D410-K413 PolarHBondContact O-N 2.93Å; D410-K413 VanDerWaalsContact O-O 3.06Å; D410-K413 PolarHBondContact OD1-N 2.91Å; R411-K413 VanDerWaalsContact C-N 3.3Å; K413-N415 PolarHBondContact O-N 3.08Å; K413-E416 HydrophobicContact CB-CB 4.05Å; K413-E416 HydrophobicContact CB-CG 4Å; K413-E416 VanDerWaalsContact CD-CD 3.47Å; K413-E416 HydrophobicContact CD-CG 4.14Å; K413-E416 WeakPolarHBondContact CD-OE1 3.44Å; K413-E416 IonicContact NZ-OE1 3.82Å; K413-E416 PolarHBondContact NZ-OE1 3.15Å; K413-E416 VanDerWaalsContact NZ-OE1 3.07Å; K413-E416 PolarHBondContact O-N 2.75Å
414	P	89.3	Confident	96	Very high	72 Å²	72	39.9 Å²	39.9	47%	0.468	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.1	-170.7	-28.8	36.2	0	0	0	116	Q409 D410 H417	Q409-P414 PolarHBondContact NE2-O 3.26Å; D410-P414 WeakPolarHBondContact O-CA 3.08Å; P414-H417 PolarHBondContact O-CE1 3.32Å
415	N	91.2	Very high	95.7	Very high	157 Å²	157	40 Å²	40	84%	0.84	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.2	176.5	-62.3	-23.7	0	0	0	113.1	K413 H417	K413-N415 PolarHBondContact O-N 3.08Å; N415-H417 PolarHBondContact O-ND1 2.89Å
416	E	94.2	Very high	95.4	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	20%	0.2	S	C	.	.			trans	-85.1	120.5	177.3	-69.9	-165.2	-150.3	0	0	110.7	D410 K413 K444	D410-E416 HydrophobicContact CB-CB 4.33Å; D410-E416 PolarHBondContact N-O 3.2Å; D410-E416 VanDerWaalsContact N-O 3.08Å; K413-E416 HydrophobicContact CB-CB 4.05Å; K413-E416 HydrophobicContact CB-CG 4Å; K413-E416 VanDerWaalsContact CD-CD 3.47Å; K413-E416 HydrophobicContact CD-CG 4.14Å; K413-E416 WeakPolarHBondContact CD-OE1 3.44Å; K413-E416 IonicContact NZ-OE1 3.82Å; K413-E416 PolarHBondContact NZ-OE1 3.15Å; K413-E416 VanDerWaalsContact NZ-OE1 3.07Å; K413-E416 PolarHBondContact O-N 2.75Å; E416-K444 IonicContact OE2-NZ 3.59Å; E416-K444 PolarHBondContact OE2-NZ 2.97Å
417	H	97.2	Very high	95.2	Very high	24 Å²	24	43.1 Å²	43.1	11%	0.111	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.2	176.7	-67.4	79.9	0	0	0	111	T364 L407 W408 P414 N415 L449	T364-H417 HydrophobicContact CG2-CB 4.07Å; L407-H417 HydrophobicContact CD1-CB 4.02Å; W408-H417 CarbonylContact O-C 3.13Å; W408-H417 VanDerWaalsContact O-CA 3.29Å; W408-H417 WeakPolarHBondContact O-CA 3.41Å; P414-H417 PolarHBondContact O-CE1 3.32Å; N415-H417 PolarHBondContact O-ND1 2.89Å; H417-L449 HydrophobicContact CB-CB 4.15Å; H417-L449 HydrophobicContact CB-CD2 4.24Å; H417-L449 PolarHBondContact O-N 3.44Å
418	S	97.5	Very high	94.9	Very high	10 Å²	10	43.2 Å²	43.2	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151	178.8	-64.8	0	0	0	0	111.4	W408 C447	W408-S418 PolarHBondContact N-O 3.2Å; W408-S418 PolarHBondContact O-N 3.37Å; S418-C447 CarbonylContact C-O 3.56Å; S418-C447 WeakPolarHBondContact CA-O 3.47Å; S418-C447 WeakPolarHBondContact CB-O 3.39Å
419	V	98	Very high	94.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.6	174.5	66.8	0	0	0	0	110.5	M360 E406 I421 F434 C447 L449 L452	M360-V419 HydrophobicContact CE-CG2 4.42Å; M360-V419 HydrophobicContact SD-CG2 4.45Å; E406-V419 CarbonylContact O-C 3.53Å; E406-V419 VanDerWaalsContact O-CA 3.32Å; E406-V419 WeakPolarHBondContact O-CA 3.48Å; V419-I421 HydrophobicContact CG2-CD1 3.79Å; V419-F434 HydrophobicContact CG1-CE2 4.08Å; V419-C447 HydrophobicContact CG1-CB 4.11Å; V419-C447 PolarHBondContact N-O 3.32Å; V419-C447 WeakPolarHBondContact O-CB 3.34Å; V419-L449 HydrophobicContact CB-CD1 4.43Å; V419-L452 HydrophobicContact CG1-CB 4.17Å; V419-L452 HydrophobicContact CG1-CD2 4.45Å; V419-L452 HydrophobicContact CG2-CD2 3.91Å
420	R	97.4	Very high	94.5	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.9	163.6	171.4	174.2	-63.5	173.9	14.1	110	M78 H81 F405 E406 L422 D427 T429 M446	M78-R420 PolarHBondContact O-NH1 2.94Å; H81-R420 PolarHBondContact O-NH1 2.84Å; H81-R420 PolarHBondContact O-NH2 2.81Å; F405-R420 CarbonylContact C-O 3.58Å; F405-R420 WeakPolarHBondContact CA-O 3.48Å; E406-R420 HydrophobicContact CB-CB 4.28Å; E406-R420 PolarHBondContact N-O 3.18Å; E406-R420 PolarHBondContact O-N 3.17Å; R420-L422 HydrophobicContact CG-CD1 3.8Å; R420-L422 HydrophobicContact CG-CG 3.94Å; R420-D427 IonicContact CZ-OD2 2.85Å; R420-D427 IonicContact NE-OD2 2.63Å; R420-D427 PolarHBondContact NE-OD2 3.03Å; R420-D427 IonicContact NH1-OD2 3.71Å; R420-D427 IonicContact NH2-OD2 2.86Å; R420-T429 WeakPolarHBondContact CA-OG1 3.3Å; R420-T429 WeakPolarHBondContact CG-OG1 3.48Å; R420-M446 HydrophobicContact CB-CE 4.38Å; R420-M446 PolarHBondContact NH2-SD 3.41Å
421	I	97.8	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124	174.7	-47.3	-57.6	0	0	0	108.6	L389 L403 I404 F405 V419 V428 T429 T432 F434	L389-I421 HydrophobicContact CD1-CG2 4.17Å; L403-I421 HydrophobicContact CD1-CG2 3.67Å; I404-I421 CarbonylContact O-C 3.56Å; I404-I421 WeakPolarHBondContact O-CA 3.43Å; F405-I421 HydrophobicContact CB-CD1 4.24Å; F405-I421 HydrophobicContact CD1-CD1 3.16Å; F405-I421 HydrophobicContact CD2-CD1 4.49Å; F405-I421 HydrophobicContact CE1-CD1 3.49Å; F405-I421 VanDerWaalsContact CE1-CD1 3.49Å; F405-I421 HydrophobicContact CG-CD1 3.71Å; F405-I421 HydrophobicContact CZ-CD1 4.28Å; V419-I421 HydrophobicContact CG2-CD1 3.79Å; I421-V428 HydrophobicContact CB-CG2 4.11Å; I421-V428 HydrophobicContact CG2-CG2 3.74Å; I421-V428 WeakPolarHBondContact O-CG2 3.37Å; I421-V428 PolarHBondContact O-N 3.14Å; I421-T429 PolarHBondContact N-OG1 2.92Å; I421-T429 PolarHBondContact O-N 3.3Å; I421-T429 PolarHBondContact O-OG1 3.29Å; I421-T432 HydrophobicContact CB-CG2 4.41Å; I421-T432 HydrophobicContact CG1-CG2 4.15Å; I421-F434 HydrophobicContact CD1-CZ 4.29Å; I421-F434 HydrophobicContact CG1-CZ 3.9Å
422	L	97	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.4	175.7	-60.3	119.7	0	0	0	110.8	M78 E79 L403 I404 E406 R420 V426 D427	M78-L422 VanDerWaalsContact C-CD2 3.47Å; M78-L422 HydrophobicContact CB-CD2 3.57Å; E79-L422 HydrophobicContact CG-CD1 4.23Å; E79-L422 HydrophobicContact CG-CD2 4.42Å; L403-L422 CarbonylContact C-O 3.54Å; L403-L422 WeakPolarHBondContact CA-O 3.45Å; L403-L422 WeakPolarHBondContact CD1-O 3.3Å; I404-L422 HydrophobicContact CB-CB 4.3Å; I404-L422 HydrophobicContact CB-CD1 4.39Å; I404-L422 HydrophobicContact CG2-CD1 4.37Å; I404-L422 PolarHBondContact N-O 3.37Å; I404-L422 PolarHBondContact O-N 2.95Å; E406-L422 VanDerWaalsContact CD-CD1 3.4Å; E406-L422 HydrophobicContact CG-CD1 3.83Å; E406-L422 WeakPolarHBondContact OE1-CD1 3.41Å; R420-L422 HydrophobicContact CG-CD1 3.8Å; R420-L422 HydrophobicContact CG-CG 3.94Å; L422-V426 CarbonylContact C-O 3.41Å; L422-V426 WeakPolarHBondContact CA-O 3.32Å; L422-D427 HydrophobicContact CD2-CB 4.37Å
423	Y	96.4	Very high	94.5	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117	170.2	-178.2	-129.7	0	0	0	109	L386 A394 R395 P397 A401 L403 G425 V426	L386-Y423 HydrophobicContact CD1-CD2 4.34Å; L386-Y423 HydrophobicContact CD1-CE1 4.21Å; L386-Y423 HydrophobicContact CD1-CE2 3.78Å; L386-Y423 HydrophobicContact CD2-CD1 4.48Å; L386-Y423 HydrophobicContact CD2-CD2 3.99Å; L386-Y423 HydrophobicContact CD2-CE2 4.28Å; L386-Y423 HydrophobicContact CD2-CG 4.11Å; A394-Y423 HydrophobicContact CB-CD1 4.19Å; A394-Y423 HydrophobicContact CB-CE1 4.02Å; R395-Y423 PolarHBondContact O-OH 2.73Å; P397-Y423 VanDerWaalsContact CA-OH 3.28Å; P397-Y423 WeakPolarHBondContact CA-OH 3.49Å; A401-Y423 HydrophobicContact CB-CE2 4.25Å; L403-Y423 HydrophobicContact CB-CD2 4.43Å; Y423-G425 VanDerWaalsContact C-N 3.29Å; Y423-G425 PolarHBondContact O-N 3.47Å; Y423-V426 PolarHBondContact N-O 3.37Å; Y423-V426 PolarHBondContact O-N 3.35Å
424	N	94.4	Very high	94.6	Very high	20 Å²	20	29.9 Å²	29.9	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	40.6	176	-71.8	-26.8	0	0	0	114.3	R398 A401 R402	R398-N424 PolarHBondContact NE-ND2 2.93Å; A401-N424 WeakPolarHBondContact CA-OD1 3.38Å; R402-N424 PolarHBondContact N-OD1 3.24Å; R402-N424 PolarHBondContact O-N 3.4Å
425	G	93.4	Very high	94.8	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-12.1	-179.8	0	0	0	0	0	115	S77 M78 E79 Y423	S77-G425 CarbonylContact C-O 3.51Å; S77-G425 WeakPolarHBondContact CA-O 3.41Å; M78-G425 WeakPolarHBondContact CB-O 3.46Å; M78-G425 PolarHBondContact N-O 3.15Å; E79-G425 WeakPolarHBondContact OE1-CA 3.23Å; E79-G425 VanDerWaalsContact OE2-CA 3.23Å; E79-G425 WeakPolarHBondContact OE2-CA 3.47Å; Y423-G425 VanDerWaalsContact C-N 3.29Å; Y423-G425 PolarHBondContact O-N 3.47Å
426	V	92.6	Very high	94.6	Very high	28 Å²	28	22.9 Å²	22.9	17%	0.17	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.5	-170.9	-172.1	0	0	0	0	110.8	P51 L422 Y423 V428	P51-V426 HydrophobicContact CG-CB 3.76Å; P51-V426 HydrophobicContact CG-CG1 3.92Å; P51-V426 HydrophobicContact CG-CG2 3.93Å; L422-V426 CarbonylContact C-O 3.41Å; L422-V426 WeakPolarHBondContact CA-O 3.32Å; Y423-V426 PolarHBondContact N-O 3.37Å; Y423-V426 PolarHBondContact O-N 3.35Å; V426-V428 PolarHBondContact O-N 2.8Å
427	D	93.5	Very high	94.1	Very high	38 Å²	38	22.4 Å²	22.4	20%	0.203	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	110.9	175.3	-171.6	-13	0	0	0	109.4	M78 R420 L422 T429	M78-D427 HydrophobicContact CB-CB 4.31Å; R420-D427 IonicContact CZ-OD2 2.85Å; R420-D427 IonicContact NE-OD2 2.63Å; R420-D427 PolarHBondContact NE-OD2 3.03Å; R420-D427 IonicContact NH1-OD2 3.71Å; R420-D427 IonicContact NH2-OD2 2.86Å; L422-D427 HydrophobicContact CD2-CB 4.37Å; D427-T429 WeakPolarHBondContact OD1-CB 3.45Å; D427-T429 PolarHBondContact OD1-N 3.36Å; D427-T429 PolarHBondContact OD1-OG1 2.89Å
428	V	94.1	Very high	93.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.117	C	C	.	.			trans	-108.8	9.9	179.8	-64.2	0	0	0	0	111.8	V52 L391 I421 V426 F430 H431 T432	V52-V428 HydrophobicContact CG2-CG1 3.93Å; L391-V428 HydrophobicContact CD1-CB 4.23Å; L391-V428 HydrophobicContact CD1-CG2 3.68Å; L391-V428 HydrophobicContact CD2-CB 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.32Å; I421-V428 HydrophobicContact CB-CG2 4.11Å; I421-V428 HydrophobicContact CG2-CG2 3.74Å; I421-V428 WeakPolarHBondContact O-CG2 3.37Å; I421-V428 PolarHBondContact O-N 3.14Å; V426-V428 PolarHBondContact O-N 2.8Å; V428-F430 VanDerWaalsContact C-N 3.34Å; V428-F430 PolarHBondContact O-N 3.16Å; V428-H431 WeakPolarHBondContact O-CB 3.32Å; V428-H431 PolarHBondContact O-N 3.16Å; V428-T432 PolarHBondContact O-N 2.91Å
429	T	94.8	Very high	92.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-54.4	-48.7	-172.3	-53.1	0	0	0	0	112.1	R420 I421 D427 H431 T432 C435 C447	R420-T429 WeakPolarHBondContact CA-OG1 3.3Å; R420-T429 WeakPolarHBondContact CG-OG1 3.48Å; I421-T429 PolarHBondContact N-OG1 2.92Å; I421-T429 PolarHBondContact O-N 3.3Å; I421-T429 PolarHBondContact O-OG1 3.29Å; D427-T429 WeakPolarHBondContact OD1-CB 3.45Å; D427-T429 PolarHBondContact OD1-N 3.36Å; D427-T429 PolarHBondContact OD1-OG1 2.89Å; T429-H431 PolarHBondContact O-N 3.49Å; T429-T432 WeakPolarHBondContact O-CB 3.37Å; T429-T432 WeakPolarHBondContact O-CG2 3.39Å; T429-T432 PolarHBondContact O-N 2.96Å; T429-T432 PolarHBondContact O-OG1 3.03Å; T429-C435 HydrophobicContact CG2-CB 4.5Å; T429-C435 WeakPolarHBondContact O-CB 3.47Å; T429-C447 HydrophobicContact CG2-CB 3.39Å
430	F	92.6	Very high	90.8	Very high	47 Å²	47	35.3 Å²	35.3	21%	0.206	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-82.3	1.5	-177	-59.7	-64	0	0	0	114	V428 C435 Q436 H439 C447	V428-F430 VanDerWaalsContact C-N 3.34Å; V428-F430 PolarHBondContact O-N 3.16Å; F430-C435 HydrophobicContact CD1-CB 4.44Å; F430-Q436 VanDerWaalsContact O-CA 3.25Å; F430-Q436 WeakPolarHBondContact O-CA 3.28Å; F430-Q436 WeakPolarHBondContact O-CB 3.3Å; F430-H439 HydrophobicContact CB-CB 4.14Å; F430-H439 HydrophobicContact CD1-CB 3.63Å; F430-H439 HydrophobicContact CE1-CB 4.24Å; F430-H439 HydrophobicContact CG-CB 4Å; F430-C447 HydrophobicContact CE1-CB 4.44Å
431	H	92.4	Very high	89.7	Confident	66 Å²	66	44.4 Å²	44.4	31%	0.306	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-95.8	-7.7	167.9	-60.9	-83.1	0	0	0	112.4	D50 V52 L391 V428 T429	D50-H431 IonicContact OD2-CE1 3.97Å; D50-H431 IonicContact OD2-NE2 3.44Å; V52-H431 HydrophobicContact CG1-CB 4.04Å; V52-H431 WeakPolarHBondContact CG1-ND1 3.24Å; V52-H431 HydrophobicContact CG2-CB 4.13Å; L391-H431 HydrophobicContact CD2-CB 3.71Å; V428-H431 WeakPolarHBondContact O-CB 3.32Å; V428-H431 PolarHBondContact O-N 3.16Å; T429-H431 PolarHBondContact O-N 3.49Å
432	T	94.9	Very high	88.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-73	149	176.4	65.7	0	0	0	0	111.7	L389 L391 I421 V428 T429 F434 C435 Q436	L389-T432 HydrophobicContact CB-CG2 4.35Å; L389-T432 CarbonylContact O-C 3.54Å; L389-T432 WeakPolarHBondContact O-CA 3.49Å; L389-T432 WeakPolarHBondContact O-CB 3.1Å; L391-T432 HydrophobicContact CD1-CG2 4.42Å; L391-T432 HydrophobicContact CD2-CG2 4.12Å; L391-T432 HydrophobicContact CG-CG2 4.33Å; I421-T432 HydrophobicContact CB-CG2 4.41Å; I421-T432 HydrophobicContact CG1-CG2 4.15Å; V428-T432 PolarHBondContact O-N 2.91Å; T429-T432 WeakPolarHBondContact O-CB 3.37Å; T429-T432 WeakPolarHBondContact O-CG2 3.39Å; T429-T432 PolarHBondContact O-N 2.96Å; T429-T432 PolarHBondContact O-OG1 3.03Å; T432-F434 HydrophobicContact CG2-CD1 4.48Å; T432-F434 HydrophobicContact CG2-CE1 3.69Å; T432-F434 HydrophobicContact CG2-CZ 3.92Å; T432-F434 PolarHBondContact O-N 3.43Å; T432-F434 VanDerWaalsContact O-N 3.13Å; T432-F434 VanDerWaalsContact OG1-CE1 3.28Å; T432-F434 WeakPolarHBondContact OG1-CE1 3.37Å; T432-F434 WeakPolarHBondContact OG1-CZ 3.34Å; T432-C435 PolarHBondContact O-N 2.94Å; T432-C435 VanDerWaalsContact O-N 3.11Å; T432-C435 PolarHBondContact OG1-N 3.01Å; T432-Q436 WeakPolarHBondContact O-CB 3.42Å; T432-Q436 PolarHBondContact O-N 3.41Å
433	S	93.1	Very high	87.4	Confident	43 Å²	43	52.1 Å²	52.1	30%	0.301	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.4	179.2	56.1	0	0	0	0	113.2	L389 F455	L389-S433 PolarHBondContact O-N 3.14Å; L389-S433 PolarHBondContact O-OG 3.45Å; S433-F455 WeakPolarHBondContact OG-CE2 3.42Å
434	F	93.9	Very high	86.5	Confident	22 Å²	22	56 Å²	56	10%	0.096	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.4	-177.6	65.7	-94.6	0	0	0	114.2	L389 V419 I421 T432 N451 L452 F455	L389-F434 HydrophobicContact CD2-CE1 4.03Å; V419-F434 HydrophobicContact CG1-CE2 4.08Å; I421-F434 HydrophobicContact CD1-CZ 4.29Å; I421-F434 HydrophobicContact CG1-CZ 3.9Å; T432-F434 HydrophobicContact CG2-CD1 4.48Å; T432-F434 HydrophobicContact CG2-CE1 3.69Å; T432-F434 HydrophobicContact CG2-CZ 3.92Å; T432-F434 PolarHBondContact O-N 3.43Å; T432-F434 VanDerWaalsContact O-N 3.13Å; T432-F434 VanDerWaalsContact OG1-CE1 3.28Å; T432-F434 WeakPolarHBondContact OG1-CE1 3.37Å; T432-F434 WeakPolarHBondContact OG1-CZ 3.34Å; F434-N451 HydrophobicContact CD2-CB 4.06Å; F434-N451 WeakPolarHBondContact O-CB 3.46Å; F434-N451 PolarHBondContact O-ND2 3.21Å; F434-L452 HydrophobicContact CD1-CD1 4.11Å; F434-L452 HydrophobicContact CD2-CB 4.07Å; F434-L452 HydrophobicContact CE1-CD1 3.7Å; F434-L452 HydrophobicContact CE2-CB 3.81Å; F434-L452 HydrophobicContact CE2-CD1 4.25Å; F434-L452 HydrophobicContact CZ-CB 4.17Å; F434-L452 HydrophobicContact CZ-CD1 3.78Å; F434-L452 HydrophobicContact CZ-CG 4.42Å; F434-F455 HydrophobicContact CB-CB 3.55Å; F434-F455 HydrophobicContact CB-CD2 4.2Å; F434-F455 HydrophobicContact CB-CG 3.83Å; F434-F455 HydrophobicContact CD1-CB 4.45Å; F434-F455 HydrophobicContact CD1-CD1 4Å; F434-F455 HydrophobicContact CD1-CG 4.15Å; F434-F455 HydrophobicContact CG-CB 4.19Å; F434-F455 HydrophobicContact CG-CG 4.34Å
435	C	93.9	Very high	85.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-10.3	-177.5	-140.2	0	0	0	0	116.5	T429 F430 T432 D437 H438 H439 C447	T429-C435 HydrophobicContact CG2-CB 4.5Å; T429-C435 WeakPolarHBondContact O-CB 3.47Å; F430-C435 HydrophobicContact CD1-CB 4.44Å; T432-C435 PolarHBondContact O-N 2.94Å; T432-C435 VanDerWaalsContact O-N 3.11Å; T432-C435 PolarHBondContact OG1-N 3.01Å; C435-D437 VanDerWaalsContact C-N 3.25Å; C435-D437 PolarHBondContact O-N 3.3Å; C435-H438 WeakPolarHBondContact O-CB 3.38Å; C435-H438 PolarHBondContact O-N 3.48Å; C435-H438 VanDerWaalsContact O-N 3.15Å; C435-H439 PolarHBondContact O-N 3.14Å; C435-C447 HydrophobicContact CB-CB 4.06Å; C435-C447 WeakPolarHBondContact CB-SG 3.39Å; C435-C447 VanDerWaalsContact SG-CA 3.56Å; C435-C447 WeakPolarHBondContact SG-CB 3.37Å; C435-C447 CovalentContact SG-SG 2.01Å; C435-C447 PolarHBondContact SG-SG 3.28Å
436	Q	88.1	Confident	85.9	Confident	81 Å²	81	58.8 Å²	58.8	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-54.7	-38.7	176.1	63	178.2	5.1	0	0	113.6	F430 T432	F430-Q436 VanDerWaalsContact O-CA 3.25Å; F430-Q436 WeakPolarHBondContact O-CA 3.28Å; F430-Q436 WeakPolarHBondContact O-CB 3.3Å; T432-Q436 WeakPolarHBondContact O-CB 3.42Å; T432-Q436 PolarHBondContact O-N 3.41Å
437	D	81.9	Confident	86	Confident	64 Å²	64	57.5 Å²	57.5	34%	0.342	28%	0.284	S	S	.	.	H	α-helix	trans	-81.1	-25.2	-178.3	-70.7	-24.1	0	0	0	112.5	C435 H439 K440 R441	C435-D437 VanDerWaalsContact C-N 3.25Å; C435-D437 PolarHBondContact O-N 3.3Å; D437-H439 VanDerWaalsContact C-N 3.33Å; D437-K440 PolarHBondContact O-N 3.04Å; D437-K440 IonicContact OD1-NZ 2.97Å; D437-R441 WeakPolarHBondContact O-CB 3.41Å; D437-R441 VanDerWaalsContact O-CG 3.28Å; D437-R441 WeakPolarHBondContact O-CG 3.38Å; D437-R441 PolarHBondContact O-N 2.7Å; D437-R441 VanDerWaalsContact O-N 3.15Å
438	H	80	Confident	86.1	Confident	32 Å²	32	57.2 Å²	57.2	15%	0.148	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-42.3	174.1	178.6	-91.9	0	0	0	110.6	C435 K440 R441 S442 M446 P448	C435-H438 WeakPolarHBondContact O-CB 3.38Å; C435-H438 PolarHBondContact O-N 3.48Å; C435-H438 VanDerWaalsContact O-N 3.15Å; H438-K440 VanDerWaalsContact C-N 3.31Å; H438-K440 PolarHBondContact O-N 2.95Å; H438-R441 PolarHBondContact O-N 3.45Å; H438-S442 WeakPolarHBondContact O-CB 3.4Å; H438-S442 PolarHBondContact O-N 3.39Å; H438-M446 PolarHBondContact CE1-O 3.08Å; H438-P448 WeakPolarHBondContact NE2-CD 3.5Å
439	H	73	Confident	86.3	Confident	114 Å²	114	57.7 Å²	57.7	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.6	-171.1	57.8	0	0	0	112.8	F430 C435 D437 R441	F430-H439 HydrophobicContact CB-CB 4.14Å; F430-H439 HydrophobicContact CD1-CB 3.63Å; F430-H439 HydrophobicContact CE1-CB 4.24Å; F430-H439 HydrophobicContact CG-CB 4Å; C435-H439 PolarHBondContact O-N 3.14Å; D437-H439 VanDerWaalsContact C-N 3.33Å; H439-R441 VanDerWaalsContact C-N 3.31Å; H439-R441 PolarHBondContact O-N 2.76Å
440	K	71.6	Confident	86.4	Confident	160 Å²	160	62.4 Å²	62.4	70%	0.696	31%	0.309	S	S	*	.	H	α-helix	trans	-69.2	-29.1	178.4	-66.5	175.9	-175.4	168.3	0	113	D437 H438	D437-K440 PolarHBondContact O-N 3.04Å; D437-K440 IonicContact OD1-NZ 2.97Å; H438-K440 VanDerWaalsContact C-N 3.31Å; H438-K440 PolarHBondContact O-N 2.95Å
441	R	74.8	Confident	86.6	Confident	207 Å²	207	61.4 Å²	61.4	78%	0.781	31%	0.306	S	S	*	.	H	α-helix	trans	-105.1	-18.2	-170.4	-65.5	177.3	-173	175.1	5.7	114	D437 H438 H439	D437-R441 WeakPolarHBondContact O-CB 3.41Å; D437-R441 VanDerWaalsContact O-CG 3.28Å; D437-R441 WeakPolarHBondContact O-CG 3.38Å; D437-R441 PolarHBondContact O-N 2.7Å; D437-R441 VanDerWaalsContact O-N 3.15Å; H438-R441 PolarHBondContact O-N 3.45Å; H439-R441 VanDerWaalsContact C-N 3.31Å; H439-R441 PolarHBondContact O-N 2.76Å
442	S	74.3	Confident	86.9	Confident	29 Å²	29	58.3 Å²	58.3	20%	0.203	29%	0.291	C	S	.	.			trans	-134.1	135	-174.1	-170.6	0	0	0	0	111.4	H438 K444	H438-S442 WeakPolarHBondContact O-CB 3.4Å; H438-S442 PolarHBondContact O-N 3.39Å; S442-K444 PolarHBondContact O-N 3.38Å; S442-K444 PolarHBondContact OG-N 3.03Å
443	P	71.6	Confident	87	Confident	133 Å²	133	58.8 Å²	58.8	86%	0.864	29%	0.294	S	S	*	.			trans	-75.5	2.3	171.9	33.5	-35.8	0	0	0	112.8
444	K	76.6	Confident	87.1	Confident	86 Å²	86	61 Å²	61	37%	0.374	30%	0.296	S	S	.	.			trans	-62.1	132.2	-179.4	-80.8	-168.6	178.2	-166.1	0	110.4	E416 S442 M446	E416-K444 IonicContact OE2-NZ 3.59Å; E416-K444 PolarHBondContact OE2-NZ 2.97Å; S442-K444 PolarHBondContact O-N 3.38Å; S442-K444 PolarHBondContact OG-N 3.03Å; K444-M446 PolarHBondContact O-N 2.92Å
445	P	83.2	Confident	87.2	Confident	75 Å²	75	60.6 Å²	60.6	49%	0.487	29%	0.294	S	S	.	.	S	Bend	trans	-75.8	-10.2	-173.1	30.3	-36.2	0	0	0	114	P83	P83-P445 HydrophobicContact CG-CB 3.94Å; P83-P445 HydrophobicContact CG-CG 3.64Å
446	M	92.3	Very high	87.3	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.03	29%	0.294	C	S	.	.	S	Bend	trans	-131.1	150.8	-173.9	-60	-65.1	-72.7	0	0	110.9	A82 F86 W408 R420 H438 K444	A82-M446 HydrophobicContact CB-CE 4.47Å; F86-M446 HydrophobicContact CD2-CG 4.23Å; F86-M446 HydrophobicContact CE1-CB 4.36Å; F86-M446 HydrophobicContact CE1-CG 4.1Å; F86-M446 HydrophobicContact CE2-CG 3.76Å; F86-M446 HydrophobicContact CZ-CB 4.04Å; F86-M446 HydrophobicContact CZ-CG 3.69Å; W408-M446 HydrophobicContact CB-CE 4.19Å; W408-M446 VanDerWaalsContact CD1-CE 3.48Å; W408-M446 HydrophobicContact CD2-CE 4.34Å; W408-M446 HydrophobicContact CG-CE 3.75Å; R420-M446 HydrophobicContact CB-CE 4.38Å; R420-M446 PolarHBondContact NH2-SD 3.41Å; H438-M446 PolarHBondContact CE1-O 3.08Å; K444-M446 PolarHBondContact O-N 2.92Å
447	C	95.9	Very high	87.6	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.5	178.3	-170.8	0	0	0	0	111.1	S418 V419 T429 F430 C435 L449	S418-C447 CarbonylContact C-O 3.56Å; S418-C447 WeakPolarHBondContact CA-O 3.47Å; S418-C447 WeakPolarHBondContact CB-O 3.39Å; V419-C447 HydrophobicContact CG1-CB 4.11Å; V419-C447 PolarHBondContact N-O 3.32Å; V419-C447 WeakPolarHBondContact O-CB 3.34Å; T429-C447 HydrophobicContact CG2-CB 3.39Å; F430-C447 HydrophobicContact CE1-CB 4.44Å; C435-C447 HydrophobicContact CB-CB 4.06Å; C435-C447 WeakPolarHBondContact CB-SG 3.39Å; C435-C447 VanDerWaalsContact SG-CA 3.56Å; C435-C447 WeakPolarHBondContact SG-CB 3.37Å; C435-C447 CovalentContact SG-SG 2.01Å; C435-C447 PolarHBondContact SG-SG 3.28Å; C447-L449 PolarHBondContact O-N 3.29Å
448	P	96.1	Very high	88	Confident	32 Å²	32	64.5 Å²	64.5	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	137.1	176.4	-24.7	34.4	0	0	0	112.3	H438 E450 N451	H438-P448 WeakPolarHBondContact NE2-CD 3.5Å; P448-E450 PolarHBondContact O-N 3.15Å; P448-N451 WeakPolarHBondContact O-CB 3.05Å; P448-N451 PolarHBondContact O-N 3.42Å; P448-N451 VanDerWaalsContact O-N 3.1Å
449	L	97.6	Very high	88.5	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-55.8	-38	176.9	173.9	64.3	0	0	0	111.6	M360 T364 L407 H417 V419 C447 N451 L452 V453	M360-L449 HydrophobicContact CB-CD1 4.27Å; M360-L449 HydrophobicContact SD-CD1 4.02Å; T364-L449 HydrophobicContact CG2-CD2 3.57Å; L407-L449 HydrophobicContact CD1-CB 4.45Å; L407-L449 HydrophobicContact CD1-CD1 4.19Å; L407-L449 HydrophobicContact CD1-CD2 3.84Å; L407-L449 HydrophobicContact CD1-CG 4.37Å; H417-L449 HydrophobicContact CB-CB 4.15Å; H417-L449 HydrophobicContact CB-CD2 4.24Å; H417-L449 PolarHBondContact O-N 3.44Å; V419-L449 HydrophobicContact CB-CD1 4.43Å; C447-L449 PolarHBondContact O-N 3.29Å; L449-N451 PolarHBondContact O-N 3.45Å; L449-N451 VanDerWaalsContact O-N 3.12Å; L449-L452 PolarHBondContact O-N 3.27Å; L449-V453 HydrophobicContact CD1-CG2 4.29Å; L449-V453 HydrophobicContact CG-CG2 4.04Å; L449-V453 PolarHBondContact O-N 3.45Å
450	E	96.6	Very high	89.4	Confident	100 Å²	100	60.1 Å²	60.1	47%	0.467	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-28.8	-179.4	-177.8	54.7	-150.2	0	0	113	P448 V453 R454	P448-E450 PolarHBondContact O-N 3.15Å; E450-V453 PolarHBondContact O-N 3.36Å; E450-R454 VanDerWaalsContact O-CB 3.26Å; E450-R454 WeakPolarHBondContact O-CB 3.26Å; E450-R454 PolarHBondContact O-N 3.46Å; E450-R454 IonicContact OE1-NH2 2.73Å
451	N	96.6	Very high	90.2	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-44	175.4	-71.6	7.2	0	0	0	111.5	F434 P448 L449 F455	F434-N451 HydrophobicContact CD2-CB 4.06Å; F434-N451 WeakPolarHBondContact O-CB 3.46Å; F434-N451 PolarHBondContact O-ND2 3.21Å; P448-N451 WeakPolarHBondContact O-CB 3.05Å; P448-N451 PolarHBondContact O-N 3.42Å; P448-N451 VanDerWaalsContact O-N 3.1Å; L449-N451 PolarHBondContact O-N 3.45Å; L449-N451 VanDerWaalsContact O-N 3.12Å; N451-F455 VanDerWaalsContact O-CB 3.27Å; N451-F455 WeakPolarHBondContact O-CB 3.39Å; N451-F455 PolarHBondContact O-N 3.14Å
452	L	97.8	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-41.4	176	176.2	62.1	0	0	0	110.9	I357 M360 F405 V419 F434 L449 F455 V456	I357-L452 HydrophobicContact CG2-CD2 3.96Å; I357-L452 HydrophobicContact CG2-CG 3.79Å; M360-L452 HydrophobicContact SD-CD2 4.49Å; F405-L452 HydrophobicContact CD1-CD2 3.96Å; F405-L452 HydrophobicContact CE1-CD2 4.13Å; V419-L452 HydrophobicContact CG1-CB 4.17Å; V419-L452 HydrophobicContact CG1-CD2 4.45Å; V419-L452 HydrophobicContact CG2-CD2 3.91Å; F434-L452 HydrophobicContact CD1-CD1 4.11Å; F434-L452 HydrophobicContact CD2-CB 4.07Å; F434-L452 HydrophobicContact CE1-CD1 3.7Å; F434-L452 HydrophobicContact CE2-CB 3.81Å; F434-L452 HydrophobicContact CE2-CD1 4.25Å; F434-L452 HydrophobicContact CZ-CB 4.17Å; F434-L452 HydrophobicContact CZ-CD1 3.78Å; F434-L452 HydrophobicContact CZ-CG 4.42Å; L449-L452 PolarHBondContact O-N 3.27Å; L452-F455 HydrophobicContact CD1-CD1 4.37Å; L452-F455 PolarHBondContact O-N 3.08Å; L452-V456 HydrophobicContact CD1-CG2 3.91Å; L452-V456 HydrophobicContact CG-CG2 4.46Å; L452-V456 WeakPolarHBondContact O-CG2 3.2Å; L452-V456 PolarHBondContact O-N 3.47Å
453	V	97.7	Very high	91	Very high	11 Å²	11	49 Å²	49	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-52.8	177.6	173.4	0	0	0	0	110.6	I357 Q361 L449 E450 F455 V456 K457	I357-V453 HydrophobicContact CB-CG2 4.46Å; I357-V453 HydrophobicContact CD1-CG1 4.47Å; Q361-V453 HydrophobicContact CG-CG2 4.32Å; L449-V453 HydrophobicContact CD1-CG2 4.29Å; L449-V453 HydrophobicContact CG-CG2 4.04Å; L449-V453 PolarHBondContact O-N 3.45Å; E450-V453 PolarHBondContact O-N 3.36Å; V453-F455 VanDerWaalsContact C-N 3.29Å; V453-F455 PolarHBondContact O-N 2.92Å; V453-V456 PolarHBondContact O-N 3.28Å; V453-K457 HydrophobicContact CG1-CG 4.26Å; V453-K457 WeakPolarHBondContact O-CB 3.27Å; V453-K457 VanDerWaalsContact O-CG 3.27Å; V453-K457 WeakPolarHBondContact O-CG 3.23Å; V453-K457 PolarHBondContact O-N 2.93Å
454	R	95.6	Very high	91.6	Very high	90 Å²	90	43.2 Å²	43.2	34%	0.34	22%	0.221	S	C	.	.	H	α-helix	trans	-59	-41.3	177.7	-174.7	-171.4	-65.1	120.9	10.4	112.1	E450 R458 D459	E450-R454 VanDerWaalsContact O-CB 3.26Å; E450-R454 WeakPolarHBondContact O-CB 3.26Å; E450-R454 PolarHBondContact O-N 3.46Å; E450-R454 IonicContact OE1-NH2 2.73Å; R454-R458 WeakPolarHBondContact O-CB 3.46Å; R454-R458 PolarHBondContact O-N 3.06Å; R454-D459 WeakPolarHBondContact CD-OD2 3.47Å; R454-D459 WeakPolarHBondContact CG-OD2 3.27Å; R454-D459 PolarHBondContact O-N 3.36Å; R454-D459 VanDerWaalsContact O-N 3.15Å
455	F	95.8	Very high	91.3	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.053	24%	0.24	C	C	.	.	I	π-helix	trans	-58.8	-54.7	176.9	170.3	-103	0	0	0	111.9	L346 A388 L389 S433 F434 N451 L452 V453 K457 R458 D459 M460	L346-F455 HydrophobicContact CD2-CZ 4.39Å; A388-F455 WeakPolarHBondContact O-CZ 3.04Å; L389-F455 HydrophobicContact CD2-CE1 4.37Å; S433-F455 WeakPolarHBondContact OG-CE2 3.42Å; F434-F455 HydrophobicContact CB-CB 3.55Å; F434-F455 HydrophobicContact CB-CD2 4.2Å; F434-F455 HydrophobicContact CB-CG 3.83Å; F434-F455 HydrophobicContact CD1-CB 4.45Å; F434-F455 HydrophobicContact CD1-CD1 4Å; F434-F455 HydrophobicContact CD1-CG 4.15Å; F434-F455 HydrophobicContact CG-CB 4.19Å; F434-F455 HydrophobicContact CG-CG 4.34Å; N451-F455 VanDerWaalsContact O-CB 3.27Å; N451-F455 WeakPolarHBondContact O-CB 3.39Å; N451-F455 PolarHBondContact O-N 3.14Å; L452-F455 HydrophobicContact CD1-CD1 4.37Å; L452-F455 PolarHBondContact O-N 3.08Å; V453-F455 VanDerWaalsContact C-N 3.29Å; V453-F455 PolarHBondContact O-N 2.92Å; F455-K457 PolarHBondContact O-N 3.45Å; F455-R458 PolarHBondContact O-N 2.76Å; F455-D459 HydrophobicContact CD2-CB 4.37Å; F455-D459 PolarHBondContact O-N 2.71Å; F455-D459 VanDerWaalsContact O-N 3.17Å; F455-M460 HydrophobicContact CD2-CB 4.18Å; F455-M460 HydrophobicContact CE1-CB 4.12Å; F455-M460 HydrophobicContact CE2-CB 3.65Å; F455-M460 HydrophobicContact CZ-CB 3.59Å; F455-M460 WeakPolarHBondContact O-CB 3.36Å; F455-M460 PolarHBondContact O-N 2.89Å
456	V	96.1	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-66.6	-37.5	-177.4	173.9	0	0	0	0	111.9	H350 L353 N354 I357 L452 V453	H350-V456 PolarHBondContact CD2-O 3.46Å; L353-V456 HydrophobicContact CB-CG1 4.06Å; L353-V456 HydrophobicContact CB-CG2 3.9Å; N354-V456 HydrophobicContact CB-CG1 4.04Å; I357-V456 HydrophobicContact CD1-CB 3.83Å; I357-V456 HydrophobicContact CD1-CG1 3.71Å; I357-V456 HydrophobicContact CG1-CG1 4.17Å; I357-V456 HydrophobicContact CG2-CB 4.44Å; I357-V456 HydrophobicContact CG2-CG2 4.07Å; L452-V456 HydrophobicContact CD1-CG2 3.91Å; L452-V456 HydrophobicContact CG-CG2 4.46Å; L452-V456 WeakPolarHBondContact O-CG2 3.2Å; L452-V456 PolarHBondContact O-N 3.47Å; V453-V456 PolarHBondContact O-N 3.28Å
457	K	93.7	Very high	89.5	Confident	98 Å²	98	46.3 Å²	46.3	43%	0.426	27%	0.274	S	S	.	.	I	π-helix	trans	-77.4	-26.6	-178	-67.5	-62.9	-168.6	-174.8	0	113.7	N354 I357 V453 F455	N354-K457 PolarHBondContact OD1-NZ 2.72Å; I357-K457 HydrophobicContact CD1-CD 4.1Å; I357-K457 HydrophobicContact CD1-CG 4.01Å; V453-K457 HydrophobicContact CG1-CG 4.26Å; V453-K457 WeakPolarHBondContact O-CB 3.27Å; V453-K457 VanDerWaalsContact O-CG 3.27Å; V453-K457 WeakPolarHBondContact O-CG 3.23Å; V453-K457 PolarHBondContact O-N 2.93Å; F455-K457 PolarHBondContact O-N 3.45Å
458	R	90.6	Very high	88.7	Confident	129 Å²	129	46.8 Å²	46.8	49%	0.487	28%	0.277	S	S	.	.	I	π-helix	trans	-144.6	-61.7	-168.2	-169.1	-173.9	69.2	-179	5.5	113.5	R454 F455 M460 F461	R454-R458 WeakPolarHBondContact O-CB 3.46Å; R454-R458 PolarHBondContact O-N 3.06Å; F455-R458 PolarHBondContact O-N 2.76Å; R458-M460 PolarHBondContact O-N 3.46Å; R458-M460 VanDerWaalsContact O-N 3.16Å; R458-F461 PolarHBondContact O-N 2.96Å; R458-F461 VanDerWaalsContact O-N 3.09Å
459	D	91	Very high	88.1	Confident	54 Å²	54	49.6 Å²	49.6	29%	0.289	29%	0.294	S	S	.	.	I	π-helix	trans	-68.2	-24.3	-163.4	-51.1	-26.8	0	0	0	112.6	R454 F455 F461 V462	R454-D459 WeakPolarHBondContact CD-OD2 3.47Å; R454-D459 WeakPolarHBondContact CG-OD2 3.27Å; R454-D459 PolarHBondContact O-N 3.36Å; R454-D459 VanDerWaalsContact O-N 3.15Å; F455-D459 HydrophobicContact CD2-CB 4.37Å; F455-D459 PolarHBondContact O-N 2.71Å; F455-D459 VanDerWaalsContact O-N 3.17Å; D459-F461 PolarHBondContact O-N 3.31Å; D459-V462 WeakPolarHBondContact O-CB 3.41Å; D459-V462 PolarHBondContact O-N 3.27Å
460	M	91.3	Very high	87.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-24.6	176.4	79.9	-179.7	-47.2	0	0	113.6	L346 H350 L353 F455 R458	L346-M460 HydrophobicContact CB-CE 4.47Å; L346-M460 HydrophobicContact CD2-CB 4.05Å; L346-M460 HydrophobicContact CD2-CE 4.24Å; L346-M460 WeakPolarHBondContact O-CE 3.36Å; H350-M460 HydrophobicContact CB-CE 3.88Å; H350-M460 HydrophobicContact CB-SD 3.77Å; H350-M460 PolarHBondContact CD2-SD 2.9Å; L353-M460 HydrophobicContact CD1-CE 4.27Å; F455-M460 HydrophobicContact CD2-CB 4.18Å; F455-M460 HydrophobicContact CE1-CB 4.12Å; F455-M460 HydrophobicContact CE2-CB 3.65Å; F455-M460 HydrophobicContact CZ-CB 3.59Å; F455-M460 WeakPolarHBondContact O-CB 3.36Å; F455-M460 PolarHBondContact O-N 2.89Å; R458-M460 PolarHBondContact O-N 3.46Å; R458-M460 VanDerWaalsContact O-N 3.16Å
461	F	89.1	Confident	87.4	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-85.8	-27.4	178.1	-51.7	-55.3	0	0	0	112.4	H350 R458 D459 A463 L464 Y471 A474	H350-F461 AromaticContact CD2-CZ 3.51Å; H350-F461 AromaticContact CG-CZ 3.93Å; H350-F461 AromaticContact NE2-CZ 3.82Å; R458-F461 PolarHBondContact O-N 2.96Å; R458-F461 VanDerWaalsContact O-N 3.09Å; D459-F461 PolarHBondContact O-N 3.31Å; F461-A463 PolarHBondContact O-N 2.86Å; F461-L464 HydrophobicContact CD1-CD1 4.36Å; F461-L464 VanDerWaalsContact O-CB 3.29Å; F461-L464 WeakPolarHBondContact O-CB 3.25Å; F461-L464 PolarHBondContact O-N 3.43Å; F461-Y471 AromaticContact CE1-CD2 3.86Å; F461-Y471 HydrophobicContact CE1-CD2 3.86Å; F461-Y471 HydrophobicContact CZ-CD2 4.08Å; F461-Y471 HydrophobicContact CZ-CG 4.43Å; F461-A474 HydrophobicContact CB-CB 4.42Å; F461-A474 HydrophobicContact CD1-CB 3.64Å; F461-A474 HydrophobicContact CE1-CB 4.23Å; F461-A474 HydrophobicContact CG-CB 4.16Å
462	V	85.2	Confident	87.1	Confident	93 Å²	93	54.5 Å²	54.5	56%	0.564	31%	0.31	S	S	*	.	H	α-helix	trans	-59.8	-36.1	174.8	179.9	0	0	0	0	110.6	D459 L464 G465	D459-V462 WeakPolarHBondContact O-CB 3.41Å; D459-V462 PolarHBondContact O-N 3.27Å; V462-L464 PolarHBondContact O-N 2.88Å; V462-L464 VanDerWaalsContact O-N 3.11Å; V462-G465 PolarHBondContact O-N 3.4Å; V462-G465 VanDerWaalsContact O-N 3.08Å
463	A	80.9	Confident	86.8	Confident	68 Å²	68	57.6 Å²	57.6	56%	0.562	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.7	176	0	0	0	0	0	114.2	L346 F461 G465	L346-A463 HydrophobicContact CD1-CB 3.83Å; F461-A463 PolarHBondContact O-N 2.86Å; A463-G465 VanDerWaalsContact C-N 3.26Å; A463-G465 PolarHBondContact O-N 3.35Å
464	L	83.8	Confident	86.5	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.063	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.2	176.1	-59.5	171.7	0	0	0	113.3	Y253 L346 L347 F461 V462 G466 A474 R477	Y253-L464 HydrophobicContact CE2-CD2 4.14Å; L346-L464 HydrophobicContact CB-CD2 4.23Å; L346-L464 HydrophobicContact CD1-CD2 3.65Å; L346-L464 HydrophobicContact CD1-CG 4.07Å; L347-L464 HydrophobicContact CD1-CD1 4.41Å; L347-L464 HydrophobicContact CD2-CD1 3.68Å; L347-L464 HydrophobicContact CG-CD1 3.99Å; F461-L464 HydrophobicContact CD1-CD1 4.36Å; F461-L464 VanDerWaalsContact O-CB 3.29Å; F461-L464 WeakPolarHBondContact O-CB 3.25Å; F461-L464 PolarHBondContact O-N 3.43Å; V462-L464 PolarHBondContact O-N 2.88Å; V462-L464 VanDerWaalsContact O-N 3.11Å; L464-G466 PolarHBondContact O-N 2.95Å; L464-A474 HydrophobicContact CD1-CB 4.13Å; L464-R477 PolarHBondContact O-NH1 2.94Å
465	G	69.6	Low	86.3	Confident	76 Å²	76	52.9 Å²	52.9	78%	0.784	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	25.5	172.7	0	0	0	0	0	115	V462 A463	V462-G465 PolarHBondContact O-N 3.4Å; V462-G465 VanDerWaalsContact O-N 3.08Å; A463-G465 VanDerWaalsContact C-N 3.26Å; A463-G465 PolarHBondContact O-N 3.35Å
466	G	67.7	Low	86	Confident	37 Å²	37	55.7 Å²	55.7	38%	0.381	32%	0.321	S	S	.	.	S	Bend	trans	-131.7	175.8	179.2	0	0	0	0	0	113.3	L464 S468	L464-G466 PolarHBondContact O-N 2.95Å; G466-S468 PolarHBondContact O-N 3.5Å
467	S	70.4	Confident	85.4	Confident	120 Å²	120	57.9 Å²	57.9	84%	0.839	33%	0.33	S	S	*	.	S	Bend	trans	-77.2	2.4	177.2	54.6	0	0	0	0	114.2	T469	S467-T469 PolarHBondContact O-N 2.97Å
468	S	80.1	Confident	83.9	Confident	10 Å²	10	62.5 Å²	62.5	7%	0.07	35%	0.353	C	S	.	.			trans	-60.4	122.8	-178.6	-54.4	0	0	0	0	110.9	G466	G466-S468 PolarHBondContact O-N 3.5Å
469	T	82.9	Confident	82.3	Confident	92 Å²	92	60.5 Å²	60.5	56%	0.564	37%	0.372	S	S	*	.			trans	-101.7	-12.3	-179.2	58.6	0	0	0	0	113.1	S467	S467-T469 PolarHBondContact O-N 2.97Å
470	N	88.8	Confident	80.6	Confident	57 Å²	57	62.7 Å²	62.7	31%	0.305	38%	0.38	S	S	.	.	S	Bend	trans	-145.8	171.1	-177.8	66	71.6	0	0	0	111.4	Y472 D473 A474	N470-Y472 PolarHBondContact O-N 3.48Å; N470-Y472 WeakPolarHBondContact OD1-CB 3.46Å; N470-Y472 PolarHBondContact OD1-N 3.02Å; N470-D473 PolarHBondContact ND2-OD2 3.33Å; N470-D473 PolarHBondContact OD1-N 2.99Å; N470-A474 WeakPolarHBondContact O-CB 3.48Å; N470-A474 PolarHBondContact O-N 2.96Å; N470-A474 VanDerWaalsContact O-N 3.1Å
471	Y	91.3	Very high	80.1	Confident	33 Å²	33	65.9 Å²	65.9	13%	0.129	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-40.2	-176.5	-174.8	-117.4	0	0	0	114	L347 H350 P351 F461 A474 C475	L347-Y471 HydrophobicContact CD2-CE2 4.36Å; L347-Y471 VanDerWaalsContact O-CE2 3.29Å; L347-Y471 WeakPolarHBondContact O-CE2 3.46Å; L347-Y471 PolarHBondContact O-OH 2.87Å; H350-Y471 HydrophobicContact CB-CD2 3.79Å; H350-Y471 HydrophobicContact CB-CE2 3.77Å; H350-Y471 WeakPolarHBondContact CE1-CB 3.21Å; H350-Y471 AromaticContact CE1-CD2 3.79Å; H350-Y471 AromaticContact CE1-CG 3.46Å; H350-Y471 VanDerWaalsContact CE1-CG 3.46Å; H350-Y471 AromaticContact CG-CD2 3.46Å; H350-Y471 VanDerWaalsContact CG-CD2 3.46Å; H350-Y471 AromaticContact CG-CE2 3.88Å; H350-Y471 AromaticContact CG-CG 3.97Å; H350-Y471 AromaticContact ND1-CD1 3.7Å; H350-Y471 AromaticContact ND1-CD2 3.05Å; H350-Y471 WeakPolarHBondContact ND1-CD2 3.41Å; H350-Y471 AromaticContact ND1-CE2 3.51Å; H350-Y471 AromaticContact ND1-CG 3.15Å; P351-Y471 HydrophobicContact CG-CE1 4.35Å; F461-Y471 AromaticContact CE1-CD2 3.86Å; F461-Y471 HydrophobicContact CE1-CD2 3.86Å; F461-Y471 HydrophobicContact CZ-CD2 4.08Å; F461-Y471 HydrophobicContact CZ-CG 4.43Å; Y471-A474 PolarHBondContact O-N 3.4Å; Y471-C475 VanDerWaalsContact CE2-SG 3.56Å; Y471-C475 WeakPolarHBondContact O-CB 3.34Å; Y471-C475 PolarHBondContact O-N 3.34Å; Y471-C475 PolarHBondContact O-SG 3.44Å
472	Y	90.4	Very high	79.6	Confident	151 Å²	151	69.3 Å²	69.3	59%	0.592	42%	0.419	S	S	*	.	H	α-helix	trans	-63.2	-49.7	-176.8	179.6	-91.9	0	0	0	110.3	N470 A474 C475 H476	N470-Y472 PolarHBondContact O-N 3.48Å; N470-Y472 WeakPolarHBondContact OD1-CB 3.46Å; N470-Y472 PolarHBondContact OD1-N 3.02Å; Y472-A474 VanDerWaalsContact C-N 3.31Å; Y472-A474 PolarHBondContact O-N 3.48Å; Y472-C475 PolarHBondContact O-N 3.45Å; Y472-C475 VanDerWaalsContact O-N 3.15Å; Y472-H476 AromaticContact CD2-CE1 3.78Å; Y472-H476 AromaticContact CD2-ND1 3.77Å; Y472-H476 AromaticContact CE2-CE1 3.57Å; Y472-H476 AromaticContact CE2-ND1 3.71Å; Y472-H476 AromaticContact CZ-ND1 3.93Å; Y472-H476 PolarHBondContact O-N 3.04Å; Y472-H476 VanDerWaalsContact O-N 3.15Å; Y472-H476 PolarHBondContact O-ND1 3.12Å
473	D	90.2	Very high	79.3	Confident	66 Å²	66	67.9 Å²	67.9	35%	0.353	41%	0.411	S	S	.	.	H	α-helix	trans	-62.7	-40.4	177.8	-61.6	-16.1	0	0	0	111.4	N470 C475 H476 R477	N470-D473 PolarHBondContact ND2-OD2 3.33Å; N470-D473 PolarHBondContact OD1-N 2.99Å; D473-C475 PolarHBondContact O-N 3.18Å; D473-H476 PolarHBondContact O-N 3.48Å; D473-R477 PolarHBondContact O-N 2.88Å
474	A	91.4	Very high	79.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-29.9	178.4	0	0	0	0	0	112.6	L347 F461 L464 N470 Y471 Y472	L347-A474 HydrophobicContact CD2-CB 3.75Å; F461-A474 HydrophobicContact CB-CB 4.42Å; F461-A474 HydrophobicContact CD1-CB 3.64Å; F461-A474 HydrophobicContact CE1-CB 4.23Å; F461-A474 HydrophobicContact CG-CB 4.16Å; L464-A474 HydrophobicContact CD1-CB 4.13Å; N470-A474 WeakPolarHBondContact O-CB 3.48Å; N470-A474 PolarHBondContact O-N 2.96Å; N470-A474 VanDerWaalsContact O-N 3.1Å; Y471-A474 PolarHBondContact O-N 3.4Å; Y472-A474 VanDerWaalsContact C-N 3.31Å; Y472-A474 PolarHBondContact O-N 3.48Å
475	C	92.1	Very high	78.9	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	42%	0.424	C	S	.	.	H	α-helix	trans	-83.2	-21.6	177.3	-78.4	0	0	0	0	114.6	C247 P248 V249 Y471 Y472 D473	C247-C475 HydrophobicContact CB-CB 3.87Å; C247-C475 WeakPolarHBondContact CB-SG 3.36Å; C247-C475 WeakPolarHBondContact SG-CA 3.37Å; C247-C475 WeakPolarHBondContact SG-CB 3.44Å; C247-C475 CovalentContact SG-SG 2.04Å; C247-C475 PolarHBondContact SG-SG 3.3Å; P248-C475 WeakPolarHBondContact CD-O 3.29Å; V249-C475 VanDerWaalsContact CG2-O 3.28Å; V249-C475 WeakPolarHBondContact CG2-O 3.38Å; V249-C475 PolarHBondContact N-O 2.97Å; Y471-C475 VanDerWaalsContact CE2-SG 3.56Å; Y471-C475 WeakPolarHBondContact O-CB 3.34Å; Y471-C475 PolarHBondContact O-N 3.34Å; Y471-C475 PolarHBondContact O-SG 3.44Å; Y472-C475 PolarHBondContact O-N 3.45Å; Y472-C475 VanDerWaalsContact O-N 3.15Å; D473-C475 PolarHBondContact O-N 3.18Å
476	H	89.8	Confident	79.5	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-119.4	5.2	-171.9	-62.8	89.4	0	0	0	114.6	Y246 Y472 D473 E478	Y246-H476 AromaticContact CD1-NE2 3.93Å; Y246-H476 AromaticContact CE1-NE2 3.57Å; Y472-H476 AromaticContact CD2-CE1 3.78Å; Y472-H476 AromaticContact CD2-ND1 3.77Å; Y472-H476 AromaticContact CE2-CE1 3.57Å; Y472-H476 AromaticContact CE2-ND1 3.71Å; Y472-H476 AromaticContact CZ-ND1 3.93Å; Y472-H476 PolarHBondContact O-N 3.04Å; Y472-H476 VanDerWaalsContact O-N 3.15Å; Y472-H476 PolarHBondContact O-ND1 3.12Å; D473-H476 PolarHBondContact O-N 3.48Å; H476-E478 PolarHBondContact O-N 3.48Å
477	R	82.9	Confident	80.4	Confident	46 Å²	46	73.6 Å²	73.6	17%	0.174	40%	0.401	C	S	.	.			trans	-56.8	135.9	176.7	64.5	175.3	-171	-173.6	0	111.7	V249 Y253 L464 D473	V249-R477 HydrophobicContact CG2-CG 3.92Å; Y253-R477 PolarHBondContact OH-NH2 3.37Å; L464-R477 PolarHBondContact O-NH1 2.94Å; D473-R477 PolarHBondContact O-N 2.88Å
478	E	62.8	Low	81.2	Confident	195 Å²	195	70 Å²	70	91%	0.911	37%	0.367	S	S	*	.	S	Bend	trans	-78.8	146.8	174.4	-65.6	-171.5	157.6	0	0	111.1	H476	H476-E478 PolarHBondContact O-N 3.48Å
479	G	57.8	Low	81.2	Confident	87 Å²	87	75 Å²	75	90%	0.897	39%	0.392	S	S	*	.			trans	82.2	43.7	165.9	0	0	0	0	0	117.1
480	F	54.5	Low	81.1	Confident	101 Å²	101	73.5 Å²	73.5	44%	0.443	38%	0.376	S	S	.	.			trans	-104	0	173.9	-166.5	-101.6	0	0	0	115.6	Y253 K256	Y253-F480 AromaticContact CD1-CE1 3.83Å; Y253-F480 HydrophobicContact CD1-CE1 3.83Å; Y253-F480 HydrophobicContact CD1-CZ 4.26Å; Y253-F480 HydrophobicContact CD2-CE1 4.27Å; Y253-F480 HydrophobicContact CE1-CD1 4.44Å; Y253-F480 AromaticContact CE1-CE1 3.31Å; Y253-F480 HydrophobicContact CE1-CE1 3.31Å; Y253-F480 HydrophobicContact CE1-CE2 4.43Å; Y253-F480 AromaticContact CE1-CZ 3.32Å; Y253-F480 HydrophobicContact CE1-CZ 3.32Å; Y253-F480 HydrophobicContact CE2-CD1 4.23Å; Y253-F480 AromaticContact CE2-CE1 3.81Å; Y253-F480 HydrophobicContact CE2-CE1 3.81Å; Y253-F480 HydrophobicContact CE2-CZ 4.13Å; Y253-F480 HydrophobicContact CG-CE1 4.27Å; Y253-F480 AromaticContact CZ-CE1 3.31Å; Y253-F480 AromaticContact CZ-CE2 3.99Å; Y253-F480 AromaticContact CZ-CZ 3.24Å; Y253-F480 WeakPolarHBondContact OH-CE2 3.35Å; Y253-F480 WeakPolarHBondContact OH-CZ 3.27Å; K256-F480 HydrophobicContact CD-CE1 4.3Å; K256-F480 VanDerWaalsContact NZ-CD1 3.28Å; K256-F480 PolarHBondContact NZ-O 3.04Å; K256-F480 PolarHBondContact NZ-OXT 3.23Å

Retrieved 480 of 480 residues in 180 ms (Link to these results)

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