A0A3Q0KTB0_SCHMA Loading...

Putative exostosin-1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.9	Very low	75.3	Confident	229 Å²	229	136.5 Å²	136.5	100%	1.128	64%	0.643	S	S	*	*				0	111.7	0	-82.7	172.4	163.5	0	0	108
2	G	63.6	Low	76.1	Confident	47 Å²	47	130.8 Å²	130.8	49%	0.485	62%	0.624	S	S	.	*			trans	-68.4	159.2	-157.5	0	0	0	0	0	115	W4 H5	G2-W4 PolarHBondContact O-N 3.49Å; G2-H5 PolarHBondContact O-N 3.44Å
3	T	69.4	Low	77	Confident	115 Å²	115	126.9 Å²	126.9	71%	0.706	61%	0.609	S	S	*	*	H	α-helix	trans	-39.2	-31.7	170.5	44.1	0	0	0	0	113.4	H5 R6 W7	T3-H5 PolarHBondContact O-N 3.08Å; T3-R6 PolarHBondContact O-N 3.27Å; T3-W7 VanDerWaalsContact O-CD1 3.25Å; T3-W7 PolarHBondContact O-N 3.06Å
4	W	76.7	Confident	77.5	Confident	191 Å²	191	122.4 Å²	122.4	72%	0.723	60%	0.597	S	S	*	*	H	α-helix	trans	-54.5	-41.9	175.4	-156.8	68.2	0	0	0	114.5	G2 R6 W7 V8	G2-W4 PolarHBondContact O-N 3.49Å; W4-R6 VanDerWaalsContact C-N 3.34Å; W4-R6 PolarHBondContact O-N 3.3Å; W4-W7 PolarHBondContact O-N 3.39Å; W4-V8 HydrophobicContact CD2-CG2 4.32Å; W4-V8 HydrophobicContact CE3-CG2 4.37Å; W4-V8 WeakPolarHBondContact O-CG2 3.47Å; W4-V8 PolarHBondContact O-N 3.5Å
5	H	74.6	Confident	78	Confident	109 Å²	109	118.3 Å²	118.3	51%	0.505	59%	0.59	S	S	.	*	H	α-helix	trans	-69	-30.9	178.3	-76.4	-40.5	0	0	0	113.2	G2 T3 F9	G2-H5 PolarHBondContact O-N 3.44Å; T3-H5 PolarHBondContact O-N 3.08Å; H5-F9 WeakPolarHBondContact O-CB 3.07Å; H5-F9 PolarHBondContact O-N 2.89Å
6	R	77.7	Confident	78.7	Confident	205 Å²	205	117.9 Å²	117.9	77%	0.774	59%	0.591	S	S	*	*	H	α-helix	trans	-66.5	-41.4	173	-87.4	-176	169.8	-178.9	-2.7	111.4	T3 W4 F9 L10	T3-R6 PolarHBondContact O-N 3.27Å; W4-R6 VanDerWaalsContact C-N 3.34Å; W4-R6 PolarHBondContact O-N 3.3Å; R6-F9 PolarHBondContact O-N 3.01Å; R6-L10 WeakPolarHBondContact O-CB 3.38Å; R6-L10 WeakPolarHBondContact O-CD1 3.37Å; R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.09Å
7	W	82.6	Confident	79.1	Confident	162 Å²	162	116.8 Å²	116.8	61%	0.614	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-45.3	175.9	-77.8	99.6	0	0	0	111.6	T3 W4 F9 L10 F11	T3-W7 VanDerWaalsContact O-CD1 3.25Å; T3-W7 PolarHBondContact O-N 3.06Å; W4-W7 PolarHBondContact O-N 3.39Å; W7-F9 VanDerWaalsContact C-N 3.34Å; W7-F9 PolarHBondContact O-N 3.03Å; W7-L10 PolarHBondContact O-N 3.42Å; W7-F11 HydrophobicContact CE3-CD2 4.34Å; W7-F11 AromaticContact CE3-CE2 3.83Å; W7-F11 HydrophobicContact CE3-CE2 3.83Å; W7-F11 HydrophobicContact CZ3-CE2 4.35Å; W7-F11 WeakPolarHBondContact O-CB 3.32Å; W7-F11 VanDerWaalsContact O-CD2 3.27Å; W7-F11 WeakPolarHBondContact O-CD2 3.37Å; W7-F11 PolarHBondContact O-N 2.96Å
8	V	84.9	Confident	79.5	Confident	64 Å²	64	113.4 Å²	113.4	39%	0.388	58%	0.58	S	S	.	*	H	α-helix	trans	-60.1	-44.2	176.5	175.5	0	0	0	0	111.2	W4 F11 T12	W4-V8 HydrophobicContact CD2-CG2 4.32Å; W4-V8 HydrophobicContact CE3-CG2 4.37Å; W4-V8 WeakPolarHBondContact O-CG2 3.47Å; W4-V8 PolarHBondContact O-N 3.5Å; V8-F11 PolarHBondContact O-N 3Å; V8-T12 HydrophobicContact CG1-CG2 4.4Å; V8-T12 WeakPolarHBondContact O-CG2 3.22Å; V8-T12 PolarHBondContact O-N 3.28Å; V8-T12 PolarHBondContact O-OG1 3.5Å
9	F	84.7	Confident	79.9	Confident	139 Å²	139	110.3 Å²	110.3	61%	0.61	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-39	178.7	-166.1	-92	0	0	0	113	H5 R6 W7 T12 L13	H5-F9 WeakPolarHBondContact O-CB 3.07Å; H5-F9 PolarHBondContact O-N 2.89Å; R6-F9 PolarHBondContact O-N 3.01Å; W7-F9 VanDerWaalsContact C-N 3.34Å; W7-F9 PolarHBondContact O-N 3.03Å; F9-T12 WeakPolarHBondContact CA-OG1 3.5Å; F9-T12 PolarHBondContact O-N 2.84Å; F9-T12 PolarHBondContact O-OG1 2.94Å; F9-L13 VanDerWaalsContact O-CB 3.24Å; F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.48Å
10	L	83.7	Confident	80.3	Confident	106 Å²	106	112.1 Å²	112.1	56%	0.555	57%	0.573	S	S	*	*	H	α-helix	trans	-66.9	-37.8	175.4	-77	163.4	0	0	0	111.8	R6 W7 S14	R6-L10 WeakPolarHBondContact O-CB 3.38Å; R6-L10 WeakPolarHBondContact O-CD1 3.37Å; R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.09Å; W7-L10 PolarHBondContact O-N 3.42Å; L10-S14 WeakPolarHBondContact O-CB 3.34Å; L10-S14 PolarHBondContact O-N 3.15Å; L10-S14 PolarHBondContact O-OG 3.27Å
11	F	84.4	Confident	80.6	Confident	135 Å²	135	111.4 Å²	111.4	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-69.2	-39.3	175.1	-91.1	-72.3	0	0	0	112.7	W7 V8 S14 A15	W7-F11 HydrophobicContact CE3-CD2 4.34Å; W7-F11 AromaticContact CE3-CE2 3.83Å; W7-F11 HydrophobicContact CE3-CE2 3.83Å; W7-F11 HydrophobicContact CZ3-CE2 4.35Å; W7-F11 WeakPolarHBondContact O-CB 3.32Å; W7-F11 VanDerWaalsContact O-CD2 3.27Å; W7-F11 WeakPolarHBondContact O-CD2 3.37Å; W7-F11 PolarHBondContact O-N 2.96Å; V8-F11 PolarHBondContact O-N 3Å; F11-S14 PolarHBondContact O-OG 2.92Å; F11-S14 VanDerWaalsContact O-OG 3.06Å; F11-A15 VanDerWaalsContact O-CB 3.29Å; F11-A15 WeakPolarHBondContact O-CB 3.2Å; F11-A15 PolarHBondContact O-N 3.21Å
12	T	84.9	Confident	82.5	Confident	67 Å²	67	103.2 Å²	103.2	41%	0.411	54%	0.538	S	S	.	.	H	α-helix	trans	-69.9	-39.1	176.1	54.7	0	0	0	0	111.5	V8 F9 A15 L16	V8-T12 HydrophobicContact CG1-CG2 4.4Å; V8-T12 WeakPolarHBondContact O-CG2 3.22Å; V8-T12 PolarHBondContact O-N 3.28Å; V8-T12 PolarHBondContact O-OG1 3.5Å; F9-T12 WeakPolarHBondContact CA-OG1 3.5Å; F9-T12 PolarHBondContact O-N 2.84Å; F9-T12 PolarHBondContact O-OG1 2.94Å; T12-A15 PolarHBondContact O-N 3.23Å; T12-L16 WeakPolarHBondContact O-CB 3.04Å; T12-L16 WeakPolarHBondContact O-CG 3.49Å; T12-L16 PolarHBondContact O-N 2.82Å
13	L	87.4	Confident	83.5	Confident	81 Å²	81	105.7 Å²	105.7	42%	0.424	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-42.2	176.6	-168	74.7	0	0	0	111.7	F9 L16 L17	F9-L13 VanDerWaalsContact O-CB 3.24Å; F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 3.4Å; L13-L17 HydrophobicContact CG-CD1 4.4Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.86Å
14	S	84.6	Confident	84.2	Confident	64 Å²	64	102.9 Å²	102.9	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-67.1	-38.1	176.8	72.1	0	0	0	0	112.1	L10 F11 L17 A18	L10-S14 WeakPolarHBondContact O-CB 3.34Å; L10-S14 PolarHBondContact O-N 3.15Å; L10-S14 PolarHBondContact O-OG 3.27Å; F11-S14 PolarHBondContact O-OG 2.92Å; F11-S14 VanDerWaalsContact O-OG 3.06Å; S14-L17 PolarHBondContact O-N 3.01Å; S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.2Å; S14-A18 PolarHBondContact O-N 2.94Å
15	A	85.4	Confident	84.5	Confident	60 Å²	60	98.3 Å²	98.3	50%	0.496	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-41	174.4	0	0	0	0	0	112.2	F11 T12 A18 S19	F11-A15 VanDerWaalsContact O-CB 3.29Å; F11-A15 WeakPolarHBondContact O-CB 3.2Å; F11-A15 PolarHBondContact O-N 3.21Å; T12-A15 PolarHBondContact O-N 3.23Å; A15-A18 PolarHBondContact O-N 3.49Å; A15-S19 WeakPolarHBondContact O-CB 3.41Å; A15-S19 PolarHBondContact O-N 3.29Å
16	L	88	Confident	85	Confident	113 Å²	113	99.6 Å²	99.6	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-64.7	-46.5	175.8	-78.6	165.9	0	0	0	111.7	T12 L13 A18 S19 F20	T12-L16 WeakPolarHBondContact O-CB 3.04Å; T12-L16 WeakPolarHBondContact O-CG 3.49Å; T12-L16 PolarHBondContact O-N 2.82Å; L13-L16 PolarHBondContact O-N 3.4Å; L16-A18 PolarHBondContact O-N 3.04Å; L16-S19 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-OG 3.22Å; L16-F20 PolarHBondContact O-N 2.86Å
17	L	87	Confident	84.9	Confident	98 Å²	98	96.4 Å²	96.4	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-43	175.4	-100.1	151.4	0	0	0	112.2	L13 S14 S19 F20 L21	L13-L17 HydrophobicContact CG-CD1 4.4Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 3.01Å; L17-S19 VanDerWaalsContact C-N 3.35Å; L17-F20 PolarHBondContact O-N 3.47Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 2.05Å
18	A	86.4	Confident	84.6	Confident	57 Å²	57	92.5 Å²	92.5	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.6	0	0	0	0	0	111.7	S14 A15 L16 F20 L21 A22	S14-A18 VanDerWaalsContact O-CB 3.26Å; S14-A18 WeakPolarHBondContact O-CB 3.2Å; S14-A18 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 3.49Å; L16-A18 PolarHBondContact O-N 3.04Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.5Å; A18-L21 PolarHBondContact O-N 3.35Å; A18-A22 VanDerWaalsContact O-CB 3.26Å; A18-A22 WeakPolarHBondContact O-CB 3.18Å; A18-A22 PolarHBondContact O-N 3.28Å
19	S	85.8	Confident	84.1	Confident	54 Å²	54	94.3 Å²	94.3	38%	0.378	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-36.8	175.7	85.2	0	0	0	0	112.3	A15 L16 L17 A22 N23	A15-S19 WeakPolarHBondContact O-CB 3.41Å; A15-S19 PolarHBondContact O-N 3.29Å; L16-S19 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-OG 3.22Å; L17-S19 VanDerWaalsContact C-N 3.35Å; S19-A22 PolarHBondContact O-N 2.85Å; S19-N23 WeakPolarHBondContact O-CB 3.4Å; S19-N23 PolarHBondContact O-N 2.89Å; S19-N23 PolarHBondContact O-ND2 3.04Å
20	F	88.3	Confident	83.6	Confident	146 Å²	146	92.3 Å²	92.3	64%	0.64	50%	0.503	S	S	*	.	H	α-helix	trans	-70.6	-43.1	179	-164.5	-92.9	0	0	0	110.9	L16 L17 A18 N23 T24	L16-F20 PolarHBondContact O-N 2.86Å; L17-F20 PolarHBondContact O-N 3.47Å; A18-F20 VanDerWaalsContact C-N 3.34Å; A18-F20 PolarHBondContact O-N 3.5Å; F20-N23 PolarHBondContact O-N 2.87Å; F20-T24 HydrophobicContact CD1-CG2 4.22Å; F20-T24 HydrophobicContact CE1-CG2 3.97Å; F20-T24 WeakPolarHBondContact O-CB 3.18Å; F20-T24 WeakPolarHBondContact O-CG2 3.48Å; F20-T24 PolarHBondContact O-N 2.83Å; F20-T24 PolarHBondContact O-OG1 3.07Å
21	L	87.1	Confident	82.8	Confident	98 Å²	98	91.6 Å²	91.6	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-42.8	172.7	-83.8	159.5	0	0	0	111.8	L17 A18 N23 T24 I25	L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 2.05Å; A18-L21 PolarHBondContact O-N 3.35Å; L21-N23 PolarHBondContact O-N 2.93Å; L21-T24 VanDerWaalsContact CA-OG1 3.28Å; L21-T24 WeakPolarHBondContact CA-OG1 2.96Å; L21-T24 PolarHBondContact O-N 2.66Å; L21-T24 PolarHBondContact O-OG1 2.94Å; L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.07Å
22	A	85.9	Confident	81.7	Confident	57 Å²	57	90.1 Å²	90.1	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-42.7	176.1	0	0	0	0	0	112.1	A18 S19 F26	A18-A22 VanDerWaalsContact O-CB 3.26Å; A18-A22 WeakPolarHBondContact O-CB 3.18Å; A18-A22 PolarHBondContact O-N 3.28Å; S19-A22 PolarHBondContact O-N 2.85Å; A22-F26 VanDerWaalsContact O-CB 3.23Å; A22-F26 WeakPolarHBondContact O-CB 3.34Å; A22-F26 PolarHBondContact O-N 3.26Å
23	N	84.3	Confident	80.3	Confident	98 Å²	98	93.8 Å²	93.8	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-68.1	-38.3	178.1	-81.3	-45.8	0	0	0	112.8	S19 F20 L21 F26 F27	S19-N23 WeakPolarHBondContact O-CB 3.4Å; S19-N23 PolarHBondContact O-N 2.89Å; S19-N23 PolarHBondContact O-ND2 3.04Å; F20-N23 PolarHBondContact O-N 2.87Å; L21-N23 PolarHBondContact O-N 2.93Å; N23-F26 PolarHBondContact O-N 3.08Å; N23-F27 WeakPolarHBondContact O-CB 3.3Å; N23-F27 PolarHBondContact O-N 3.27Å
24	T	83.3	Confident	78.7	Confident	56 Å²	56	95.4 Å²	95.4	34%	0.344	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-41.7	175.8	45.2	0	0	0	0	111.8	F20 L21 F27 C28	F20-T24 HydrophobicContact CD1-CG2 4.22Å; F20-T24 HydrophobicContact CE1-CG2 3.97Å; F20-T24 WeakPolarHBondContact O-CB 3.18Å; F20-T24 WeakPolarHBondContact O-CG2 3.48Å; F20-T24 PolarHBondContact O-N 2.83Å; F20-T24 PolarHBondContact O-OG1 3.07Å; L21-T24 VanDerWaalsContact CA-OG1 3.28Å; L21-T24 WeakPolarHBondContact CA-OG1 2.96Å; L21-T24 PolarHBondContact O-N 2.66Å; L21-T24 PolarHBondContact O-OG1 2.94Å; T24-F27 PolarHBondContact O-N 2.99Å; T24-C28 WeakPolarHBondContact O-CB 3.44Å; T24-C28 PolarHBondContact O-N 3.13Å; T24-C28 PolarHBondContact O-SG 3.38Å; T24-C28 VanDerWaalsContact O-SG 3.4Å
25	I	84.3	Confident	77.1	Confident	96 Å²	96	98.7 Å²	98.7	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-43.5	171.8	-68.1	165.8	0	0	0	110.3	L21 F27 C28 L29	L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.07Å; I25-F27 PolarHBondContact O-N 3.31Å; I25-C28 PolarHBondContact O-N 2.9Å; I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.17Å; I25-L29 WeakPolarHBondContact O-CB 3.39Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.28Å; I25-L29 PolarHBondContact O-N 3.37Å
26	F	84.4	Confident	74.9	Confident	135 Å²	135	100.5 Å²	100.5	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-41.7	176.2	-170.3	-93.3	0	0	0	111.5	A22 N23 L29 F30	A22-F26 VanDerWaalsContact O-CB 3.23Å; A22-F26 WeakPolarHBondContact O-CB 3.34Å; A22-F26 PolarHBondContact O-N 3.26Å; N23-F26 PolarHBondContact O-N 3.08Å; F26-L29 PolarHBondContact O-N 3.27Å; F26-F30 HydrophobicContact CE1-CD2 4.46Å; F26-F30 WeakPolarHBondContact O-CA 3.23Å; F26-F30 WeakPolarHBondContact O-CB 3.41Å; F26-F30 PolarHBondContact O-N 2.82Å
27	F	76.4	Confident	72.6	Confident	139 Å²	139	97.6 Å²	97.6	61%	0.61	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-40.2	174.5	-112.5	-88.3	0	0	0	112.4	N23 T24 I25 N31	N23-F27 WeakPolarHBondContact O-CB 3.3Å; N23-F27 PolarHBondContact O-N 3.27Å; T24-F27 PolarHBondContact O-N 2.99Å; I25-F27 PolarHBondContact O-N 3.31Å; F27-N31 WeakPolarHBondContact O-CB 3.37Å; F27-N31 PolarHBondContact O-N 3.33Å; F27-N31 PolarHBondContact O-ND2 3.23Å
28	C	75.8	Confident	70.1	Confident	79 Å²	79	102 Å²	102	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-46.5	175.7	-77.3	0	0	0	0	111.5	T24 I25 N31 L32	T24-C28 WeakPolarHBondContact O-CB 3.44Å; T24-C28 PolarHBondContact O-N 3.13Å; T24-C28 PolarHBondContact O-SG 3.38Å; T24-C28 VanDerWaalsContact O-SG 3.4Å; I25-C28 PolarHBondContact O-N 2.9Å; C28-N31 PolarHBondContact O-N 2.91Å; C28-L32 WeakPolarHBondContact O-CB 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.34Å; C28-L32 PolarHBondContact O-N 2.89Å
29	L	74.2	Confident	67.9	Low	103 Å²	103	104.4 Å²	104.4	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-38	176	-72	174.9	0	0	0	111.5	I25 F26 L32 Y33	I25-L29 HydrophobicContact CG2-CD1 3.74Å; I25-L29 HydrophobicContact CG2-CG 4.17Å; I25-L29 WeakPolarHBondContact O-CB 3.39Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.28Å; I25-L29 PolarHBondContact O-N 3.37Å; F26-L29 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 2.68Å; L29-Y33 WeakPolarHBondContact O-CB 3.48Å; L29-Y33 PolarHBondContact O-N 3.17Å
30	F	74.8	Confident	65.4	Low	96 Å²	96	108.1 Å²	108.1	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-42.5	175.6	-172.3	-95	0	0	0	111.1	F26 Y33 Y34	F26-F30 HydrophobicContact CE1-CD2 4.46Å; F26-F30 WeakPolarHBondContact O-CA 3.23Å; F26-F30 WeakPolarHBondContact O-CB 3.41Å; F26-F30 PolarHBondContact O-N 2.82Å; F30-Y33 PolarHBondContact O-N 2.67Å; F30-Y34 HydrophobicContact CD1-CD2 4.23Å; F30-Y34 AromaticContact CE1-CD2 3.67Å; F30-Y34 HydrophobicContact CE1-CD2 3.67Å; F30-Y34 AromaticContact CE1-CE2 3.89Å; F30-Y34 HydrophobicContact CE1-CE2 3.89Å; F30-Y34 HydrophobicContact CE2-CD2 4.11Å; F30-Y34 HydrophobicContact CE2-CE2 4.04Å; F30-Y34 AromaticContact CZ-CD2 3.61Å; F30-Y34 HydrophobicContact CZ-CD2 3.61Å; F30-Y34 AromaticContact CZ-CE2 3.44Å; F30-Y34 HydrophobicContact CZ-CE2 3.44Å; F30-Y34 VanDerWaalsContact CZ-CE2 3.44Å; F30-Y34 WeakPolarHBondContact O-CB 3.12Å; F30-Y34 PolarHBondContact O-N 2.8Å
31	N	65.7	Low	62.5	Low	91 Å²	91	106.8 Å²	106.8	49%	0.487	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-41.2	174.5	-82.2	-69.2	0	0	0	112.6	F27 C28 Y34 Q35	F27-N31 WeakPolarHBondContact O-CB 3.37Å; F27-N31 PolarHBondContact O-N 3.33Å; F27-N31 PolarHBondContact O-ND2 3.23Å; C28-N31 PolarHBondContact O-N 2.91Å; N31-Y34 PolarHBondContact O-N 3.29Å; N31-Q35 WeakPolarHBondContact O-CB 3.33Å; N31-Q35 PolarHBondContact O-N 2.8Å
32	L	60.8	Low	59.8	Low	104 Å²	104	106.6 Å²	106.6	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-41.9	175.5	-77.2	164.1	0	0	0	111.6	C28 L29 Q35 E36	C28-L32 WeakPolarHBondContact O-CB 3.46Å; C28-L32 WeakPolarHBondContact O-CG 3.34Å; C28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 2.68Å; L32-Q35 PolarHBondContact O-N 3.36Å; L32-E36 PolarHBondContact O-N 3.47Å
33	Y	57.5	Low	57.2	Low	144 Å²	144	110 Å²	110	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-68.7	-37.4	177	-173.3	-109.2	0	0	0	111.7	L29 F30 E36 I37	L29-Y33 WeakPolarHBondContact O-CB 3.48Å; L29-Y33 PolarHBondContact O-N 3.17Å; F30-Y33 PolarHBondContact O-N 2.67Å; Y33-E36 PolarHBondContact O-N 3.49Å; Y33-I37 HydrophobicContact CD1-CD1 3.63Å; Y33-I37 HydrophobicContact CD1-CG1 4.48Å; Y33-I37 HydrophobicContact CE1-CD1 3.21Å; Y33-I37 HydrophobicContact CE1-CG1 4.24Å; Y33-I37 HydrophobicContact CE2-CD1 4.38Å; Y33-I37 HydrophobicContact CG-CD1 4.37Å; Y33-I37 WeakPolarHBondContact O-CB 3.07Å; Y33-I37 WeakPolarHBondContact O-CG1 3.42Å; Y33-I37 PolarHBondContact O-N 3.16Å
34	Y	53.2	Low	54.5	Low	115 Å²	115	114.6 Å²	114.6	45%	0.451	56%	0.558	S	S	.	*	H	α-helix	trans	-69.3	-38.5	172.7	-115	-91.7	0	0	0	112.2	F30 N31 I37 Y38	F30-Y34 HydrophobicContact CD1-CD2 4.23Å; F30-Y34 AromaticContact CE1-CD2 3.67Å; F30-Y34 HydrophobicContact CE1-CD2 3.67Å; F30-Y34 AromaticContact CE1-CE2 3.89Å; F30-Y34 HydrophobicContact CE1-CE2 3.89Å; F30-Y34 HydrophobicContact CE2-CD2 4.11Å; F30-Y34 HydrophobicContact CE2-CE2 4.04Å; F30-Y34 AromaticContact CZ-CD2 3.61Å; F30-Y34 HydrophobicContact CZ-CD2 3.61Å; F30-Y34 AromaticContact CZ-CE2 3.44Å; F30-Y34 HydrophobicContact CZ-CE2 3.44Å; F30-Y34 VanDerWaalsContact CZ-CE2 3.44Å; F30-Y34 WeakPolarHBondContact O-CB 3.12Å; F30-Y34 PolarHBondContact O-N 2.8Å; N31-Y34 PolarHBondContact O-N 3.29Å; Y34-I37 PolarHBondContact O-N 2.92Å; Y34-Y38 AromaticContact CD1-CD2 3.96Å; Y34-Y38 HydrophobicContact CD1-CD2 3.96Å; Y34-Y38 AromaticContact CD1-CE2 3.82Å; Y34-Y38 HydrophobicContact CD1-CE2 3.82Å; Y34-Y38 HydrophobicContact CE1-CE2 4.04Å; Y34-Y38 WeakPolarHBondContact O-CD2 3.23Å; Y34-Y38 PolarHBondContact O-N 2.74Å
35	Q	50.7	Low	51.8	Low	134 Å²	134	117.8 Å²	117.8	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-62.8	-42.1	171.1	-87.4	-175.2	-33.8	0	0	111.2	N31 L32 Y38 V39	N31-Q35 WeakPolarHBondContact O-CB 3.33Å; N31-Q35 PolarHBondContact O-N 2.8Å; L32-Q35 PolarHBondContact O-N 3.36Å; Q35-Y38 PolarHBondContact O-N 3.38Å; Q35-V39 VanDerWaalsContact O-CG2 3.24Å; Q35-V39 WeakPolarHBondContact O-CG2 3.49Å; Q35-V39 PolarHBondContact O-N 2.91Å
36	E	39.3	Very low	49.1	Very low	98 Å²	98	117.6 Å²	117.6	46%	0.458	58%	0.584	S	S	.	*	H	α-helix	trans	-66.3	-36.4	174.7	-100.9	-152.5	130.8	0	0	112.7	L32 Y33 V39 K40	L32-E36 PolarHBondContact O-N 3.47Å; Y33-E36 PolarHBondContact O-N 3.49Å; E36-V39 CarbonylContact O-C 3.55Å; E36-V39 PolarHBondContact O-N 3.38Å; E36-K40 VanDerWaalsContact O-CB 3.3Å; E36-K40 WeakPolarHBondContact O-CB 3.49Å; E36-K40 PolarHBondContact O-N 3.3Å; E36-K40 IonicContact OE1-NZ 2.93Å; E36-K40 PolarHBondContact OE1-NZ 2.98Å
37	I	39.4	Very low	46.3	Very low	51 Å²	51	114.7 Å²	114.7	26%	0.262	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-40.5	174.8	-74.8	171.5	0	0	0	111.1	Y33 Y34 V39 K40 N41	Y33-I37 HydrophobicContact CD1-CD1 3.63Å; Y33-I37 HydrophobicContact CD1-CG1 4.48Å; Y33-I37 HydrophobicContact CE1-CD1 3.21Å; Y33-I37 HydrophobicContact CE1-CG1 4.24Å; Y33-I37 HydrophobicContact CE2-CD1 4.38Å; Y33-I37 HydrophobicContact CG-CD1 4.37Å; Y33-I37 WeakPolarHBondContact O-CB 3.07Å; Y33-I37 WeakPolarHBondContact O-CG1 3.42Å; Y33-I37 PolarHBondContact O-N 3.16Å; Y34-I37 PolarHBondContact O-N 2.92Å; I37-V39 PolarHBondContact O-N 3.4Å; I37-K40 PolarHBondContact O-N 3.23Å; I37-N41 HydrophobicContact CG2-CB 4.41Å; I37-N41 WeakPolarHBondContact O-CB 3.29Å; I37-N41 PolarHBondContact O-N 3.07Å
38	Y	35.3	Very low	43.8	Very low	191 Å²	191	115.5 Å²	115.5	75%	0.749	58%	0.583	S	S	*	*	H	α-helix	trans	-64.6	-25.9	174	-95.2	-81.5	0	0	0	112.4	Y34 Q35	Y34-Y38 AromaticContact CD1-CD2 3.96Å; Y34-Y38 HydrophobicContact CD1-CD2 3.96Å; Y34-Y38 AromaticContact CD1-CE2 3.82Å; Y34-Y38 HydrophobicContact CD1-CE2 3.82Å; Y34-Y38 HydrophobicContact CE1-CE2 4.04Å; Y34-Y38 WeakPolarHBondContact O-CD2 3.23Å; Y34-Y38 PolarHBondContact O-N 2.74Å; Q35-Y38 PolarHBondContact O-N 3.38Å
39	V	40.5	Very low	41.5	Very low	108 Å²	108	117.3 Å²	117.3	66%	0.655	59%	0.591	S	S	*	*	H	α-helix	trans	-87.5	-36	175.8	175.7	0	0	0	0	112.5	Q35 E36 I37 S42	Q35-V39 VanDerWaalsContact O-CG2 3.24Å; Q35-V39 WeakPolarHBondContact O-CG2 3.49Å; Q35-V39 PolarHBondContact O-N 2.91Å; E36-V39 CarbonylContact O-C 3.55Å; E36-V39 PolarHBondContact O-N 3.38Å; I37-V39 PolarHBondContact O-N 3.4Å; V39-S42 PolarHBondContact O-OG 3.2Å
40	K	31.7	Very low	39.2	Very low	132 Å²	132	119.5 Å²	119.5	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-95.5	-21.4	-173.7	-85.3	174.6	173.2	158	0	115.7	E36 I37 S42	E36-K40 VanDerWaalsContact O-CB 3.3Å; E36-K40 WeakPolarHBondContact O-CB 3.49Å; E36-K40 PolarHBondContact O-N 3.3Å; E36-K40 IonicContact OE1-NZ 2.93Å; E36-K40 PolarHBondContact OE1-NZ 2.98Å; I37-K40 PolarHBondContact O-N 3.23Å; K40-S42 PolarHBondContact O-N 2.74Å
41	N	29.1	Very low	37.2	Very low	117 Å²	117	122.3 Å²	122.3	63%	0.626	62%	0.618	S	S	*	*			trans	-84.9	15	178.3	-86.7	-5.5	0	0	0	114.8	I37 N43	I37-N41 HydrophobicContact CG2-CB 4.41Å; I37-N41 WeakPolarHBondContact O-CB 3.29Å; I37-N41 PolarHBondContact O-N 3.07Å; N41-N43 PolarHBondContact O-N 3.14Å
42	S	30.2	Very low	35.5	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	63%	0.628	S	S	*	*			trans	-76	59.5	153.3	61.3	0	0	0	0	109.9	V39 K40 K44	V39-S42 PolarHBondContact O-OG 3.2Å; K40-S42 PolarHBondContact O-N 2.74Å; S42-K44 PolarHBondContact O-N 3.04Å
43	N	30	Very low	34.1	Very low	130 Å²	130	124.4 Å²	124.4	70%	0.695	63%	0.633	S	S	*	*			trans	-59.3	111.2	171.2	-95	-20.6	0	0	0	108.2	N41 V45	N41-N43 PolarHBondContact O-N 3.14Å; N43-V45 VanDerWaalsContact C-N 3.35Å; N43-V45 PolarHBondContact O-N 3.26Å
44	K	27.6	Very low	33.1	Very low	194 Å²	194	122.5 Å²	122.5	84%	0.843	65%	0.647	S	S	*	*			trans	-46.7	93.8	168.6	-68.3	170.8	175.6	175.8	0	109.7	S42 S46	S42-K44 PolarHBondContact O-N 3.04Å; K44-S46 PolarHBondContact O-N 2.84Å
45	V	27	Very low	32.5	Very low	122 Å²	122	125 Å²	125	74%	0.739	66%	0.663	S	S	*	*			trans	-83.1	78.3	149.3	-173.5	0	0	0	0	105.3	N43 V47	N43-V45 VanDerWaalsContact C-N 3.35Å; N43-V45 PolarHBondContact O-N 3.26Å; V45-V47 HydrophobicContact CG1-CG2 3.99Å; V45-V47 PolarHBondContact O-N 3.35Å
46	S	27.1	Very low	32.2	Very low	92 Å²	92	122.9 Å²	122.9	64%	0.643	66%	0.656	S	S	*	*			trans	-66	89.2	166.2	49.8	0	0	0	0	107.6	K44 H48	K44-S46 PolarHBondContact O-N 2.84Å; S46-H48 PolarHBondContact O-N 3.39Å
47	V	26.6	Very low	32.4	Very low	74 Å²	74	125.9 Å²	125.9	45%	0.448	67%	0.67	S	S	.	*			trans	-70.2	115.1	161.5	172.3	0	0	0	0	106.2	V45 V49	V45-V47 HydrophobicContact CG1-CG2 3.99Å; V45-V47 PolarHBondContact O-N 3.35Å; V47-V49 PolarHBondContact O-N 2.95Å
48	H	23.2	Very low	32.7	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.727	69%	0.692	S	S	*	*			trans	-53.3	102.2	166.4	-81.4	10.8	0	0	0	108.5	S46 E50	S46-H48 PolarHBondContact O-N 3.39Å; H48-E50 VanDerWaalsContact C-N 3.35Å; H48-E50 PolarHBondContact O-N 2.77Å
49	V	28.7	Very low	33.2	Very low	117 Å²	117	128.5 Å²	128.5	71%	0.709	68%	0.683	S	S	*	*			trans	-92.6	85.3	158.9	-178.7	0	0	0	0	104.5	V47 N51	V47-V49 PolarHBondContact O-N 2.95Å; V49-N51 PolarHBondContact O-N 3.13Å
50	E	25.7	Very low	33.3	Very low	148 Å²	148	128.7 Å²	128.7	69%	0.692	68%	0.68	S	S	*	*			trans	-64.5	129.9	168.4	-77.1	179.6	156.2	0	0	109	H48	H48-E50 VanDerWaalsContact C-N 3.35Å; H48-E50 PolarHBondContact O-N 2.77Å
51	N	31.4	Very low	33.7	Very low	155 Å²	155	127.8 Å²	127.8	83%	0.829	68%	0.681	S	S	*	*			trans	65.2	55.8	152.3	-61.8	-19.9	0	0	0	119.1	V49	V49-N51 PolarHBondContact O-N 3.13Å
52	V	30.5	Very low	34	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	67%	0.674	S	S	*	*	S	Bend	trans	-124.4	104.1	152.9	-176.4	0	0	0	0	109.7
53	L	30.8	Very low	34.6	Very low	124 Å²	124	127.1 Å²	127.1	65%	0.649	66%	0.663	S	S	*	*			trans	82.2	87.1	159.9	-57.1	165	0	0	0	118.1	E55	L53-E55 PolarHBondContact O-N 3.24Å
54	A	37.5	Very low	35	Very low	105 Å²	105	129.2 Å²	129.2	87%	0.868	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	12.7	165.2	0	0	0	0	0	114.6
55	E	40.5	Very low	35.3	Very low	168 Å²	168	129 Å²	129	79%	0.785	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	3.3	-175.8	-79.9	-172.2	154.6	0	0	116	L53	L53-E55 PolarHBondContact O-N 3.24Å
56	N	44	Very low	35.9	Very low	89 Å²	89	127.8 Å²	127.8	48%	0.476	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	8.5	-173.8	-71.5	-18	0	0	0	116.3	W58 L59 D60	N56-W58 PolarHBondContact O-N 2.79Å; N56-L59 HydrophobicContact CB-CD1 4.39Å; N56-L59 PolarHBondContact O-N 2.68Å; N56-L59 VanDerWaalsContact O-N 3.14Å; N56-L59 WeakPolarHBondContact OD1-CD1 3.38Å; N56-D60 PolarHBondContact O-N 3.24Å
57	Q	44.6	Very low	36.1	Very low	160 Å²	160	128.4 Å²	128.4	75%	0.748	65%	0.65	S	S	*	*	H	α-helix	trans	-61.6	-27.7	177.2	-82	-172.8	-14.1	0	0	113.5	L61	Q57-L61 PolarHBondContact O-N 3.46Å
58	W	44.8	Very low	36.4	Very low	191 Å²	191	129.6 Å²	129.6	72%	0.723	66%	0.657	S	S	*	*	H	α-helix	trans	-74.5	-30.7	177.5	-123.1	88.4	0	0	0	113	N56 L61 L62	N56-W58 PolarHBondContact O-N 2.79Å; W58-L61 PolarHBondContact O-N 2.84Å; W58-L62 HydrophobicContact CE3-CD1 3.75Å; W58-L62 HydrophobicContact CE3-CG 4.05Å; W58-L62 HydrophobicContact CZ3-CD1 3.88Å; W58-L62 HydrophobicContact CZ3-CD2 4.42Å; W58-L62 HydrophobicContact CZ3-CG 4.03Å; W58-L62 PolarHBondContact O-N 2.86Å; W58-L62 VanDerWaalsContact O-N 3.11Å
59	L	45.5	Very low	36.5	Very low	107 Å²	107	131 Å²	131	56%	0.56	66%	0.661	S	S	*	*	H	α-helix	trans	-66.2	-43.7	174.2	-87.2	153.8	0	0	0	110.9	N56 L61 L62 Y63	N56-L59 HydrophobicContact CB-CD1 4.39Å; N56-L59 PolarHBondContact O-N 2.68Å; N56-L59 VanDerWaalsContact O-N 3.14Å; N56-L59 WeakPolarHBondContact OD1-CD1 3.38Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.09Å; L59-L62 PolarHBondContact O-N 2.89Å; L59-Y63 VanDerWaalsContact O-CB 3.26Å; L59-Y63 WeakPolarHBondContact O-CB 3.26Å; L59-Y63 PolarHBondContact O-N 2.71Å
60	D	42.5	Very low	37	Very low	112 Å²	112	131.3 Å²	131.3	60%	0.599	65%	0.653	S	S	*	*	H	α-helix	trans	-63.4	-34.2	176.6	-94.2	-14.8	0	0	0	113.4	N56 Y63 K64	N56-D60 PolarHBondContact O-N 3.24Å; D60-Y63 WeakPolarHBondContact O-CB 2.91Å; D60-Y63 PolarHBondContact O-N 2.8Å; D60-K64 PolarHBondContact O-N 3.42Å
61	L	40	Very low	37.1	Very low	112 Å²	112	128.6 Å²	128.6	59%	0.586	65%	0.65	S	S	*	*	H	α-helix	trans	-70.7	-40.9	176.1	-89.9	159.7	0	0	0	112.4	Q57 W58 L59 Y63 K65	Q57-L61 PolarHBondContact O-N 3.46Å; W58-L61 PolarHBondContact O-N 2.84Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.09Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; L61-K65 PolarHBondContact O-N 3.36Å
62	L	35.3	Very low	37.4	Very low	92 Å²	92	128.5 Å²	128.5	48%	0.482	65%	0.645	S	S	.	*	H	α-helix	trans	-63.2	-40.2	169.7	-82.6	165.1	0	0	0	110.9	W58 L59 K64 K65 T66	W58-L62 HydrophobicContact CE3-CD1 3.75Å; W58-L62 HydrophobicContact CE3-CG 4.05Å; W58-L62 HydrophobicContact CZ3-CD1 3.88Å; W58-L62 HydrophobicContact CZ3-CD2 4.42Å; W58-L62 HydrophobicContact CZ3-CG 4.03Å; W58-L62 PolarHBondContact O-N 2.86Å; W58-L62 VanDerWaalsContact O-N 3.11Å; L59-L62 PolarHBondContact O-N 2.89Å; L62-K64 PolarHBondContact O-N 3.19Å; L62-K65 PolarHBondContact O-N 3.33Å; L62-K65 VanDerWaalsContact O-N 3.13Å; L62-T66 PolarHBondContact O-N 3.3Å; L62-T66 PolarHBondContact O-OG1 3.07Å
63	Y	43.4	Very low	37.3	Very low	106 Å²	106	129.9 Å²	129.9	42%	0.416	65%	0.648	S	S	.	*	H	α-helix	trans	-63.4	-41.2	-178.9	-144.9	-95	0	0	0	112.7	L59 D60 L61 K65 T66 H67 R147	L59-Y63 VanDerWaalsContact O-CB 3.26Å; L59-Y63 WeakPolarHBondContact O-CB 3.26Å; L59-Y63 PolarHBondContact O-N 2.71Å; D60-Y63 WeakPolarHBondContact O-CB 2.91Å; D60-Y63 PolarHBondContact O-N 2.8Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; Y63-K65 VanDerWaalsContact C-N 3.34Å; Y63-K65 PolarHBondContact O-N 3Å; Y63-T66 PolarHBondContact O-N 2.78Å; Y63-T66 PolarHBondContact O-OG1 3.16Å; Y63-T66 VanDerWaalsContact O-OG1 3.06Å; Y63-H67 AromaticContact CD1-CD2 3.67Å; Y63-H67 AromaticContact CD1-NE2 3.93Å; Y63-H67 AromaticContact CE1-CD2 3.6Å; Y63-H67 AromaticContact CE1-NE2 3.35Å; Y63-H67 VanDerWaalsContact CE1-NE2 3.35Å; Y63-H67 WeakPolarHBondContact CE1-NE2 3.3Å; Y63-H67 PolarHBondContact O-CD2 2.91Å; Y63-H67 PolarHBondContact O-N 3.28Å; Y63-R147 PolarHBondContact OH-NH1 2.48Å
64	K	37.4	Very low	37.5	Very low	174 Å²	174	129.7 Å²	129.7	76%	0.757	65%	0.652	S	S	*	*	H	α-helix	trans	-67	-30.7	173.7	-80.2	-179.2	179.5	173.9	0	113.3	D60 L62	D60-K64 PolarHBondContact O-N 3.42Å; L62-K64 PolarHBondContact O-N 3.19Å
65	K	35.7	Very low	37.3	Very low	189 Å²	189	128.2 Å²	128.2	82%	0.822	64%	0.635	S	S	*	*	H	α-helix	trans	-76.8	-29.3	177	-113.3	-179.6	178.9	179.9	0	112.9	L61 L62 Y63	L61-K65 PolarHBondContact O-N 3.36Å; L62-K65 PolarHBondContact O-N 3.33Å; L62-K65 VanDerWaalsContact O-N 3.13Å; Y63-K65 VanDerWaalsContact C-N 3.34Å; Y63-K65 PolarHBondContact O-N 3Å
66	T	39.5	Very low	37.3	Very low	96 Å²	96	126.6 Å²	126.6	59%	0.589	64%	0.637	S	S	*	*	H	α-helix	trans	-83.8	-18.7	176.7	50.9	0	0	0	0	113.9	L62 Y63 V68	L62-T66 PolarHBondContact O-N 3.3Å; L62-T66 PolarHBondContact O-OG1 3.07Å; Y63-T66 PolarHBondContact O-N 2.78Å; Y63-T66 PolarHBondContact O-OG1 3.16Å; Y63-T66 VanDerWaalsContact O-OG1 3.06Å; T66-V68 PolarHBondContact O-N 3.35Å
67	H	31	Very low	37.5	Very low	105 Å²	105	130 Å²	130	49%	0.486	65%	0.648	S	S	.	*			trans	-79.2	74.3	169.3	-89.9	-81.6	0	0	0	110.5	Y63 K69	Y63-H67 AromaticContact CD1-CD2 3.67Å; Y63-H67 AromaticContact CD1-NE2 3.93Å; Y63-H67 AromaticContact CE1-CD2 3.6Å; Y63-H67 AromaticContact CE1-NE2 3.35Å; Y63-H67 VanDerWaalsContact CE1-NE2 3.35Å; Y63-H67 WeakPolarHBondContact CE1-NE2 3.3Å; Y63-H67 PolarHBondContact O-CD2 2.91Å; Y63-H67 PolarHBondContact O-N 3.28Å; H67-K69 PolarHBondContact O-N 3.34Å; H67-K69 VanDerWaalsContact O-N 3.1Å
68	V	32.2	Very low	38.5	Very low	100 Å²	100	129.7 Å²	129.7	61%	0.606	65%	0.646	S	S	*	*			trans	-49.7	118.6	139.4	176.9	0	0	0	0	104.6	T66 F70	T66-V68 PolarHBondContact O-N 3.35Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.65Å
69	K	26.5	Very low	40.3	Very low	185 Å²	185	123.9 Å²	123.9	80%	0.804	64%	0.639	S	S	*	*			trans	-51.1	107.9	167.3	-83.2	179	174.2	178.7	0	105.6	H67 S71	H67-K69 PolarHBondContact O-N 3.34Å; H67-K69 VanDerWaalsContact O-N 3.1Å; K69-S71 PolarHBondContact O-N 3.47Å
70	F	38	Very low	42.5	Very low	125 Å²	125	119.8 Å²	119.8	55%	0.548	62%	0.619	S	S	.	*			trans	-69.1	71.9	163.2	-70.1	-61.8	0	0	0	106.2	V68 H72 W215	V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.65Å; F70-H72 PolarHBondContact O-N 2.85Å; F70-W215 AromaticContact CD1-CH2 3.51Å; F70-W215 HydrophobicContact CD1-CH2 3.51Å; F70-W215 AromaticContact CD1-CZ2 3.71Å; F70-W215 HydrophobicContact CD1-CZ2 3.71Å; F70-W215 AromaticContact CE1-CH2 3.44Å; F70-W215 HydrophobicContact CE1-CH2 3.44Å; F70-W215 VanDerWaalsContact CE1-CH2 3.44Å; F70-W215 AromaticContact CE1-CZ2 3.15Å; F70-W215 HydrophobicContact CE1-CZ2 3.15Å; F70-W215 HydrophobicContact CG-CH2 4.49Å; F70-W215 HydrophobicContact CZ-CH2 4.31Å; F70-W215 AromaticContact CZ-CZ2 3.63Å; F70-W215 HydrophobicContact CZ-CZ2 3.63Å
71	S	28.1	Very low	45	Very low	90 Å²	90	121.7 Å²	121.7	63%	0.629	62%	0.618	S	S	*	*			trans	-60	101.1	151.9	48.2	0	0	0	0	104	K69 D73	K69-S71 PolarHBondContact O-N 3.47Å; S71-D73 PolarHBondContact O-N 2.68Å
72	H	36.9	Very low	47.6	Very low	154 Å²	154	117.1 Å²	117.1	71%	0.713	59%	0.594	S	S	*	*			trans	-53.9	94.1	145.5	-72.7	-78.8	0	0	0	104.3	F70 V74	F70-H72 PolarHBondContact O-N 2.85Å; H72-V74 HydrophobicContact CB-CG2 3.95Å; H72-V74 PolarHBondContact O-N 3.27Å
73	D	29.4	Very low	50.3	Low	143 Å²	143	118.3 Å²	118.3	77%	0.765	60%	0.6	S	S	*	*			trans	-55.2	93.7	146.1	-95	-21.2	0	0	0	103.2	S71 S75	S71-D73 PolarHBondContact O-N 2.68Å; D73-S75 PolarHBondContact O-N 2.91Å
74	V	34	Very low	52.7	Low	121 Å²	121	115.3 Å²	115.3	73%	0.733	59%	0.591	S	S	*	*			trans	-70.4	64	163.2	-172.9	0	0	0	0	104.5	H72 T76	H72-V74 HydrophobicContact CB-CG2 3.95Å; H72-V74 PolarHBondContact O-N 3.27Å; V74-T76 PolarHBondContact O-N 3.24Å
75	S	35.1	Very low	55.4	Low	74 Å²	74	107.4 Å²	107.4	52%	0.517	56%	0.558	S	S	.	*			trans	-56	129.5	142.9	66.9	0	0	0	0	103.7	D73 K77	D73-S75 PolarHBondContact O-N 2.91Å; S75-K77 PolarHBondContact O-N 3.04Å
76	T	38.6	Very low	58.3	Low	134 Å²	134	98.8 Å²	98.8	82%	0.822	52%	0.521	S	S	*	.			trans	-63.1	65.4	174.2	46.7	0	0	0	0	108.8	V74 E78	V74-T76 PolarHBondContact O-N 3.24Å; T76-E78 PolarHBondContact O-N 3.17Å; T76-E78 VanDerWaalsContact O-N 3.14Å
77	K	49.5	Very low	60.9	Low	160 Å²	160	96.5 Å²	96.5	70%	0.696	51%	0.505	S	S	*	.			trans	-59.7	116.3	162.3	-83.5	-170.2	172.6	-170	0	104.5	S75 A79	S75-K77 PolarHBondContact O-N 3.04Å; K77-A79 PolarHBondContact O-N 3.24Å
78	E	65.1	Low	63.9	Low	154 Å²	154	95.7 Å²	95.7	72%	0.72	50%	0.498	S	S	*	.			trans	-45.2	134.1	172.1	-64.7	178.2	162.7	0	0	109.1	T76 C80	T76-E78 PolarHBondContact O-N 3.17Å; T76-E78 VanDerWaalsContact O-N 3.14Å; E78-C80 PolarHBondContact O-N 3.06Å
79	A	83.5	Confident	66.8	Low	69 Å²	69	95.1 Å²	95.1	57%	0.57	50%	0.495	S	S	*	.			trans	-55.1	133.3	176.6	0	0	0	0	0	109.1	K77 R81	K77-A79 PolarHBondContact O-N 3.24Å; A79-R81 PolarHBondContact O-N 2.87Å
80	C	91.4	Very high	69.9	Low	20 Å²	20	87.8 Å²	87.8	14%	0.135	47%	0.466	C	S	.	.			trans	-57.6	133	-179.9	-85.5	0	0	0	0	111.5	E78 C85 F235	E78-C80 PolarHBondContact O-N 3.06Å; C80-C85 WeakPolarHBondContact CA-SG 3.35Å; C80-C85 HydrophobicContact CB-CB 3.51Å; C80-C85 WeakPolarHBondContact CB-SG 3.44Å; C80-C85 WeakPolarHBondContact SG-CB 3.24Å; C80-C85 CovalentContact SG-SG 2.05Å; C80-C85 PolarHBondContact SG-SG 2.95Å; C80-F235 HydrophobicContact CB-CD1 4.21Å; C80-F235 HydrophobicContact CB-CE1 3.86Å; C80-F235 HydrophobicContact CB-CE2 4.46Å; C80-F235 HydrophobicContact CB-CZ 3.98Å
81	R	94.1	Very high	72.4	Confident	153 Å²	153	82.6 Å²	82.6	58%	0.577	45%	0.445	S	S	*	.			trans	-134.8	170	174.7	-64.5	174.3	-177.9	-174	0.8	108.6	A79 D83 N84 C85	A79-R81 PolarHBondContact O-N 2.87Å; R81-D83 WeakPolarHBondContact CB-OD1 3.5Å; R81-D83 PolarHBondContact O-N 3.39Å; R81-N84 PolarHBondContact N-OD1 3.1Å; R81-N84 PolarHBondContact O-N 2.85Å; R81-N84 PolarHBondContact O-OD1 3.19Å; R81-N84 VanDerWaalsContact O-OD1 3.07Å; R81-C85 PolarHBondContact O-N 2.95Å
82	M	94.3	Very high	75.2	Confident	16 Å²	16	86 Å²	86	8%	0.079	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.9	178.7	-65.8	-65.5	-61.1	0	0	112.4	F86 Y88 M220 K234 F235 R443 V444	M82-F86 HydrophobicContact CE-CB 3.99Å; M82-F86 HydrophobicContact CE-CD1 3.59Å; M82-F86 HydrophobicContact CE-CD2 3.71Å; M82-F86 HydrophobicContact CE-CE1 3.96Å; M82-F86 HydrophobicContact CE-CE2 4.06Å; M82-F86 HydrophobicContact CE-CG 3.47Å; M82-F86 VanDerWaalsContact CE-CG 3.47Å; M82-F86 HydrophobicContact CE-CZ 4.19Å; M82-F86 WeakPolarHBondContact O-CB 3.5Å; M82-F86 HydrophobicContact SD-CB 4.21Å; M82-F86 HydrophobicContact SD-CD2 4.25Å; M82-F86 HydrophobicContact SD-CG 4.18Å; M82-Y88 VanDerWaalsContact CB-OH 3.23Å; M82-Y88 WeakPolarHBondContact CB-OH 3.32Å; M82-Y88 HydrophobicContact CE-CE1 4.46Å; M82-Y88 WeakPolarHBondContact O-CE2 3.39Å; M82-Y88 PolarHBondContact O-OH 3.02Å; M82-M220 HydrophobicContact SD-SD 4.13Å; M82-K234 WeakPolarHBondContact CG-O 3.31Å; M82-F235 HydrophobicContact CG-CD2 4.1Å; M82-F235 HydrophobicContact SD-CD2 3.7Å; M82-F235 HydrophobicContact SD-CE2 4.19Å; M82-R443 HydrophobicContact CE-CB 4.02Å; M82-V444 HydrophobicContact CE-CG1 4.07Å
83	D	92.6	Very high	77.3	Confident	116 Å²	116	82.7 Å²	82.7	62%	0.62	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-26.6	179.3	53	-59.1	0	0	0	114.4	R81	R81-D83 WeakPolarHBondContact CB-OD1 3.5Å; R81-D83 PolarHBondContact O-N 3.39Å
84	N	93.7	Very high	80	Confident	43 Å²	43	80.7 Å²	80.7	23%	0.23	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-28.1	-174.4	66.5	2.8	0	0	0	114.6	R81 R192	R81-N84 PolarHBondContact N-OD1 3.1Å; R81-N84 PolarHBondContact O-N 2.85Å; R81-N84 PolarHBondContact O-OD1 3.19Å; R81-N84 VanDerWaalsContact O-OD1 3.07Å; N84-R192 PolarHBondContact O-NH2 3.32Å
85	C	95.2	Very high	82.8	Confident	8 Å²	8	75.4 Å²	75.4	5%	0.054	40%	0.398	C	S	.	.	S	Bend	trans	-109.3	2.9	-176.8	-72.3	0	0	0	0	113.8	C80 R81 Q218 F235	C80-C85 WeakPolarHBondContact CA-SG 3.35Å; C80-C85 HydrophobicContact CB-CB 3.51Å; C80-C85 WeakPolarHBondContact CB-SG 3.44Å; C80-C85 WeakPolarHBondContact SG-CB 3.24Å; C80-C85 CovalentContact SG-SG 2.05Å; C80-C85 PolarHBondContact SG-SG 2.95Å; R81-C85 PolarHBondContact O-N 2.95Å; C85-Q218 HydrophobicContact CB-CB 3.93Å; C85-Q218 HydrophobicContact CB-CG 4.18Å; C85-F235 HydrophobicContact CB-CE2 3.85Å; C85-F235 HydrophobicContact CB-CZ 3.78Å
86	F	96.2	Very high	85.7	Confident	9 Å²	9	73.9 Å²	73.9	4%	0.039	38%	0.383	C	S	.	.			trans	-126.4	138	180	-170.8	-89.1	0	0	0	110.8	M82 Y88 I135 N193 M220 F235 V444	M82-F86 HydrophobicContact CE-CB 3.99Å; M82-F86 HydrophobicContact CE-CD1 3.59Å; M82-F86 HydrophobicContact CE-CD2 3.71Å; M82-F86 HydrophobicContact CE-CE1 3.96Å; M82-F86 HydrophobicContact CE-CE2 4.06Å; M82-F86 HydrophobicContact CE-CG 3.47Å; M82-F86 VanDerWaalsContact CE-CG 3.47Å; M82-F86 HydrophobicContact CE-CZ 4.19Å; M82-F86 WeakPolarHBondContact O-CB 3.5Å; M82-F86 HydrophobicContact SD-CB 4.21Å; M82-F86 HydrophobicContact SD-CD2 4.25Å; M82-F86 HydrophobicContact SD-CG 4.18Å; F86-Y88 HydrophobicContact CD1-CD1 4.11Å; F86-Y88 HydrophobicContact CD1-CD2 4.15Å; F86-Y88 HydrophobicContact CD1-CE1 4.17Å; F86-Y88 HydrophobicContact CD1-CE2 4.2Å; F86-Y88 HydrophobicContact CD1-CG 4.11Å; F86-Y88 HydrophobicContact CE1-CD1 4.09Å; F86-Y88 HydrophobicContact CE1-CE1 4.4Å; F86-Y88 HydrophobicContact CE1-CG 4.31Å; F86-I135 HydrophobicContact CE2-CD1 3.5Å; F86-I135 HydrophobicContact CZ-CD1 3.82Å; F86-N193 HydrophobicContact CE2-CB 4.26Å; F86-M220 HydrophobicContact CD2-CE 4.03Å; F86-M220 HydrophobicContact CD2-SD 4.28Å; F86-M220 HydrophobicContact CE2-CE 3.76Å; F86-M220 HydrophobicContact CE2-SD 4.42Å; F86-F235 HydrophobicContact CB-CE2 4.44Å; F86-V444 HydrophobicContact CD1-CG1 4.34Å; F86-V444 HydrophobicContact CE1-CG1 3.4Å; F86-V444 HydrophobicContact CZ-CG1 3.57Å
87	D	94.5	Very high	88.5	Confident	47 Å²	47	67.6 Å²	67.6	25%	0.251	34%	0.344	S	S	.	.			trans	-102.6	116.1	174.6	-172.6	-7.3	0	0	0	110	T89 P90 L169 R192 N193	D87-T89 VanDerWaalsContact C-N 3.33Å; D87-T89 WeakPolarHBondContact OD1-CB 3.34Å; D87-T89 PolarHBondContact OD1-N 2.93Å; D87-T89 PolarHBondContact OD1-OG1 3.36Å; D87-P90 WeakPolarHBondContact O-CD 3.15Å; D87-L169 HydrophobicContact CB-CD1 4.05Å; D87-R192 HydrophobicContact CB-CG 4.38Å; D87-N193 PolarHBondContact N-OD1 3.13Å; D87-N193 PolarHBondContact O-ND2 2.54Å
88	Y	94.2	Very high	90.8	Very high	88 Å²	88	61.4 Å²	61.4	35%	0.345	32%	0.316	S	S	.	.			trans	-80.1	-14.6	179.1	-64	-93.2	0	0	0	113.3	M82 F86 C91 Q92 V444	M82-Y88 VanDerWaalsContact CB-OH 3.23Å; M82-Y88 WeakPolarHBondContact CB-OH 3.32Å; M82-Y88 HydrophobicContact CE-CE1 4.46Å; M82-Y88 WeakPolarHBondContact O-CE2 3.39Å; M82-Y88 PolarHBondContact O-OH 3.02Å; F86-Y88 HydrophobicContact CD1-CD1 4.11Å; F86-Y88 HydrophobicContact CD1-CD2 4.15Å; F86-Y88 HydrophobicContact CD1-CE1 4.17Å; F86-Y88 HydrophobicContact CD1-CE2 4.2Å; F86-Y88 HydrophobicContact CD1-CG 4.11Å; F86-Y88 HydrophobicContact CE1-CD1 4.09Å; F86-Y88 HydrophobicContact CE1-CE1 4.4Å; F86-Y88 HydrophobicContact CE1-CG 4.31Å; Y88-C91 WeakPolarHBondContact O-CA 3.3Å; Y88-C91 WeakPolarHBondContact O-CB 3.42Å; Y88-C91 PolarHBondContact O-N 3.5Å; Y88-Q92 PolarHBondContact O-N 3.42Å; Y88-V444 HydrophobicContact CD1-CB 4.2Å; Y88-V444 HydrophobicContact CD1-CG1 4.14Å; Y88-V444 HydrophobicContact CE1-CB 4.43Å; Y88-V444 HydrophobicContact CE1-CG1 4.18Å
89	T	91.7	Very high	92.3	Very high	88 Å²	88	54.6 Å²	54.6	54%	0.54	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.7	-46.4	-173.6	-44.3	0	0	0	0	112.3	D87 C91 Q92	D87-T89 VanDerWaalsContact C-N 3.33Å; D87-T89 WeakPolarHBondContact OD1-CB 3.34Å; D87-T89 PolarHBondContact OD1-N 2.93Å; D87-T89 PolarHBondContact OD1-OG1 3.36Å; T89-C91 PolarHBondContact O-N 2.76Å; T89-Q92 PolarHBondContact O-N 2.87Å
90	P	91.5	Very high	92.9	Very high	31 Å²	31	51.8 Å²	51.8	20%	0.201	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-65.1	-21.1	176.6	-18.8	33.2	0	0	0	113.4	D87 A133 L169	D87-P90 WeakPolarHBondContact O-CD 3.15Å; P90-A133 WeakPolarHBondContact CB-O 3.36Å; P90-L169 HydrophobicContact CG-CD1 4.3Å
91	C	92	Very high	93	Very high	16 Å²	16	55.4 Å²	55.4	11%	0.108	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-91.7	-2.9	-174.8	-48.2	0	0	0	0	113.9	Y88 T89 S93 C134 V444	Y88-C91 WeakPolarHBondContact O-CA 3.3Å; Y88-C91 WeakPolarHBondContact O-CB 3.42Å; Y88-C91 PolarHBondContact O-N 3.5Å; T89-C91 PolarHBondContact O-N 2.76Å; C91-S93 PolarHBondContact O-N 3.27Å; C91-C134 HydrophobicContact CB-CB 3.82Å; C91-C134 WeakPolarHBondContact CB-SG 3.29Å; C91-C134 WeakPolarHBondContact SG-CB 3.46Å; C91-C134 CovalentContact SG-SG 2.03Å; C91-C134 PolarHBondContact SG-SG 3.21Å; C91-V444 HydrophobicContact CB-CB 4.21Å; C91-V444 HydrophobicContact CB-CG2 4.29Å
92	Q	86	Confident	92.8	Very high	161 Å²	161	53 Å²	53	75%	0.752	28%	0.282	S	S	*	.	S	Bend	trans	-65.3	-24.3	-177.3	-71.3	-177.5	-7.2	0	0	113.8	Y88 T89	Y88-Q92 PolarHBondContact O-N 3.42Å; T89-Q92 PolarHBondContact O-N 2.87Å
93	S	81.1	Confident	92.1	Very high	85 Å²	85	54.1 Å²	54.1	59%	0.594	29%	0.291	S	S	*	.	S	Bend	trans	-88.3	-107.9	179.3	64.2	0	0	0	0	111	C91	C91-S93 PolarHBondContact O-N 3.27Å
94	E	86.2	Confident	91.2	Very high	101 Å²	101	54.6 Å²	54.6	47%	0.472	30%	0.303	S	S	.	.			trans	-104.5	141.6	173.5	-170.6	174.1	-165.4	0	0	110	K96	E94-K96 HydrophobicContact CB-CD 4.47Å; E94-K96 HydrophobicContact CB-CG 4.31Å; E94-K96 HydrophobicContact CG-CG 4.26Å; E94-K96 PolarHBondContact O-N 3.02Å; E94-K96 WeakPolarHBondContact OE2-CE 3.31Å; E94-K96 IonicContact OE2-NZ 3.55Å
95	F	92.4	Very high	90	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.044	33%	0.328	C	S	.	.			trans	-71	96.5	173.4	-175.8	-96.6	0	0	0	109.9	V97 L125 C134 I135 L437 I440 R441 V444	F95-V97 HydrophobicContact CE1-CG2 4.06Å; F95-L125 HydrophobicContact CD1-CD1 4.16Å; F95-L125 HydrophobicContact CD1-CD2 4.26Å; F95-L125 HydrophobicContact CE1-CD1 4.14Å; F95-C134 HydrophobicContact CD2-CB 3.99Å; F95-C134 WeakPolarHBondContact CD2-SG 3.43Å; F95-C134 HydrophobicContact CE2-CB 4.28Å; F95-C134 VanDerWaalsContact CE2-SG 3.51Å; F95-I135 HydrophobicContact CE2-CD1 4.46Å; F95-I135 HydrophobicContact CE2-CG1 3.68Å; F95-I135 HydrophobicContact CZ-CG1 3.63Å; F95-L437 HydrophobicContact CE1-CB 4.46Å; F95-I440 HydrophobicContact CE2-CB 4.47Å; F95-I440 HydrophobicContact CE2-CG2 3.87Å; F95-I440 HydrophobicContact CZ-CB 4.08Å; F95-I440 HydrophobicContact CZ-CG2 3.87Å; F95-R441 HydrophobicContact CB-CG 3.94Å; F95-R441 HydrophobicContact CD1-CB 3.96Å; F95-R441 HydrophobicContact CD1-CG 4Å; F95-R441 HydrophobicContact CD2-CB 4.29Å; F95-R441 HydrophobicContact CD2-CG 4.3Å; F95-R441 HydrophobicContact CE1-CB 4.08Å; F95-R441 HydrophobicContact CE2-CB 4.4Å; F95-R441 HydrophobicContact CG-CB 4.06Å; F95-R441 HydrophobicContact CG-CG 3.82Å; F95-R441 HydrophobicContact CZ-CB 4.29Å; F95-V444 HydrophobicContact CD2-CG2 3.65Å; F95-V444 HydrophobicContact CE2-CG2 3.98Å
96	K	95.4	Very high	88.7	Confident	43 Å²	43	61.9 Å²	61.9	19%	0.187	33%	0.333	C	S	.	.			trans	-113.1	151.1	177.6	-69.5	171.2	168.6	-178.3	0	111.8	E94 L125 T127 E132 C134 I135	E94-K96 HydrophobicContact CB-CD 4.47Å; E94-K96 HydrophobicContact CB-CG 4.31Å; E94-K96 HydrophobicContact CG-CG 4.26Å; E94-K96 PolarHBondContact O-N 3.02Å; E94-K96 WeakPolarHBondContact OE2-CE 3.31Å; E94-K96 IonicContact OE2-NZ 3.55Å; K96-L125 CarbonylContact C-O 3.47Å; K96-L125 VanDerWaalsContact CA-O 3.28Å; K96-L125 WeakPolarHBondContact CA-O 3.34Å; K96-T127 HydrophobicContact CB-CG2 3.76Å; K96-T127 HydrophobicContact CD-CG2 4.36Å; K96-E132 HydrophobicContact CD-CB 3.86Å; K96-E132 VanDerWaalsContact NZ-CD 3.32Å; K96-E132 IonicContact NZ-OE1 2.92Å; K96-E132 IonicContact NZ-OE2 2.68Å; K96-E132 PolarHBondContact NZ-OE2 3.43Å; K96-C134 PolarHBondContact O-N 3.26Å; K96-I135 PolarHBondContact O-N 2.95Å
97	V	97.2	Very high	87.1	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	-178.6	-179.2	0	0	0	0	108.7	F95 V99 L125 L126 T127 I135 I137 L437	F95-V97 HydrophobicContact CE1-CG2 4.06Å; V97-V99 HydrophobicContact CG1-CG2 4.42Å; V97-L125 HydrophobicContact CG2-CB 4.05Å; V97-L125 PolarHBondContact N-O 2.96Å; V97-L126 WeakPolarHBondContact O-CA 3.36Å; V97-T127 PolarHBondContact O-N 3.19Å; V97-I135 WeakPolarHBondContact CA-O 3.3Å; V97-I135 HydrophobicContact CG2-CB 4.38Å; V97-I137 HydrophobicContact CG1-CD1 3.56Å; V97-I137 HydrophobicContact CG1-CG1 4.03Å; V97-L437 HydrophobicContact CG2-CD1 4.14Å; V97-L437 HydrophobicContact CG2-CD2 3.91Å
98	Y	97.8	Very high	86.3	Confident	30 Å²	30	70.6 Å²	70.6	12%	0.118	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.3	171.1	179.8	-95.3	0	0	0	109.9	Y100 P130 A133 I135 F136 I137 F165	Y98-Y100 HydrophobicContact CD1-CD2 4.38Å; Y98-Y100 AromaticContact CE1-CD1 3.92Å; Y98-Y100 HydrophobicContact CE1-CD1 3.92Å; Y98-Y100 HydrophobicContact CE1-CD2 4.31Å; Y98-Y100 HydrophobicContact CE1-CE1 4.14Å; Y98-Y100 HydrophobicContact CE1-CG 4.02Å; Y98-P130 HydrophobicContact CD2-CB 4.07Å; Y98-P130 HydrophobicContact CE2-CB 4.08Å; Y98-P130 HydrophobicContact CE2-CG 4.37Å; Y98-P130 HydrophobicContact CG-CB 4.29Å; Y98-A133 VanDerWaalsContact CB-CB 3.45Å; Y98-I135 PolarHBondContact N-O 3.11Å; Y98-F136 AromaticContact CD1-CD1 3.65Å; Y98-F136 HydrophobicContact CD1-CD1 3.65Å; Y98-F136 AromaticContact CD1-CE1 3.91Å; Y98-F136 HydrophobicContact CD1-CE1 3.91Å; Y98-F136 HydrophobicContact CG-CD1 4.21Å; Y98-F136 HydrophobicContact CG-CE1 4.2Å; Y98-F136 WeakPolarHBondContact O-CA 3.47Å; Y98-I137 PolarHBondContact O-N 3.38Å; Y98-F165 HydrophobicContact CE1-CE2 4.34Å
99	V	97.5	Very high	86	Confident	12 Å²	12	67.7 Å²	67.7	7%	0.073	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.2	173.4	177.7	0	0	0	0	107.6	V97 L117 L120 L126 I137 S139	V97-V99 HydrophobicContact CG1-CG2 4.42Å; V99-L117 HydrophobicContact CG1-CD2 4.03Å; V99-L120 HydrophobicContact CG2-CB 3.93Å; V99-L120 HydrophobicContact CG2-CD1 4.07Å; V99-L120 HydrophobicContact CG2-CG 4.5Å; V99-L126 HydrophobicContact CB-CD1 3.88Å; V99-L126 HydrophobicContact CG2-CD1 3.53Å; V99-I137 WeakPolarHBondContact CA-O 3.19Å; V99-I137 HydrophobicContact CG2-CB 4.41Å; V99-S139 WeakPolarHBondContact CG1-OG 3.38Å
100	Y	96.1	Very high	86.1	Confident	9 Å²	9	64.1 Å²	64.1	4%	0.035	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-60.9	147.5	-180	-80.1	-90.5	0	0	0	111.4	Y98 F136 I137 S139 L163 F165 H194	Y98-Y100 HydrophobicContact CD1-CD2 4.38Å; Y98-Y100 AromaticContact CE1-CD1 3.92Å; Y98-Y100 HydrophobicContact CE1-CD1 3.92Å; Y98-Y100 HydrophobicContact CE1-CD2 4.31Å; Y98-Y100 HydrophobicContact CE1-CE1 4.14Å; Y98-Y100 HydrophobicContact CE1-CG 4.02Å; Y100-F136 HydrophobicContact CE2-CB 4.12Å; Y100-F136 HydrophobicContact CE2-CD1 4.15Å; Y100-I137 WeakPolarHBondContact CD2-O 3.37Å; Y100-I137 PolarHBondContact N-O 3.14Å; Y100-S139 VanDerWaalsContact O-CB 3.23Å; Y100-S139 WeakPolarHBondContact O-CB 3.27Å; Y100-S139 PolarHBondContact O-OG 3.33Å; Y100-L163 HydrophobicContact CD1-CB 4.48Å; Y100-L163 HydrophobicContact CD1-CD2 3.91Å; Y100-L163 HydrophobicContact CD2-CD1 4.19Å; Y100-L163 HydrophobicContact CE1-CB 3.93Å; Y100-L163 HydrophobicContact CE1-CD2 4.21Å; Y100-L163 HydrophobicContact CE1-CG 4.46Å; Y100-L163 HydrophobicContact CE2-CD1 4.06Å; Y100-L163 HydrophobicContact CG-CD1 4.44Å; Y100-L163 HydrophobicContact CG-CD2 4.18Å; Y100-F165 AromaticContact CE1-CD2 3.85Å; Y100-F165 HydrophobicContact CE1-CD2 3.85Å; Y100-F165 HydrophobicContact CE1-CE2 4.4Å; Y100-F165 AromaticContact CZ-CD2 3.9Å; Y100-F165 WeakPolarHBondContact OH-CA 3.21Å; Y100-F165 WeakPolarHBondContact OH-CB 3.48Å; Y100-F165 WeakPolarHBondContact OH-CD2 3.44Å; Y100-F165 PolarHBondContact OH-N 2.91Å; Y100-H194 AromaticContact CE2-NE2 3.75Å; Y100-H194 AromaticContact CZ-NE2 3.94Å; Y100-H194 PolarHBondContact OH-NE2 3.49Å
101	P	92.9	Very high	86.1	Confident	96 Å²	96	66.9 Å²	66.9	62%	0.623	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-57.5	147.1	170.2	-23.8	33.8	0	0	0	111.7	S103	P101-S103 PolarHBondContact O-N 3.28Å
102	L	89.8	Confident	86.3	Confident	103 Å²	103	66.7 Å²	66.7	54%	0.539	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.3	132.1	174	-76.2	163.5	0	0	0	110.6	L109 L117	L102-L109 HydrophobicContact CD2-CD1 3.72Å; L102-L117 HydrophobicContact CD2-CD1 3.98Å
103	S	80.7	Confident	86.7	Confident	39 Å²	39	59.1 Å²	59.1	27%	0.273	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-71.9	132.3	174	176.9	0	0	0	0	110.1	P101 K105 Q106	P101-S103 PolarHBondContact O-N 3.28Å; S103-K105 PolarHBondContact O-N 3.14Å; S103-K105 VanDerWaalsContact O-N 3.13Å; S103-K105 PolarHBondContact OG-N 2.81Å; S103-Q106 PolarHBondContact O-N 2.75Å
104	S	73.4	Confident	87.4	Confident	126 Å²	126	59.3 Å²	59.3	88%	0.881	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.3	173.4	56.4	0	0	0	0	113.2	Q106	S104-Q106 VanDerWaalsContact C-N 3.3Å
105	K	69	Low	87.8	Confident	173 Å²	173	56 Å²	56	75%	0.752	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.7	177.3	-63.1	-178.6	179.6	176.9	0	113.3	S103	S103-K105 PolarHBondContact O-N 3.14Å; S103-K105 VanDerWaalsContact O-N 3.13Å; S103-K105 PolarHBondContact OG-N 2.81Å
106	Q	67.5	Low	88	Confident	32 Å²	32	55.7 Å²	55.7	15%	0.15	31%	0.311	C	S	.	.			trans	-104.9	85.1	-172.5	-161	176.4	-0.4	0	0	111.1	S103 S104 L109 S139	S103-Q106 PolarHBondContact O-N 2.75Å; S104-Q106 VanDerWaalsContact C-N 3.3Å; Q106-L109 HydrophobicContact CG-CD2 3.98Å; Q106-S139 PolarHBondContact OE1-O 3.21Å; Q106-S139 VanDerWaalsContact OE1-O 3.05Å
107	A	61.4	Low	88.1	Confident	93 Å²	93	54.1 Å²	54.1	77%	0.769	31%	0.305	S	S	*	.			trans	-76.7	-27.5	-177.8	0	0	0	0	0	114.1
108	N	78.6	Confident	88	Confident	145 Å²	145	56.4 Å²	56.4	78%	0.775	32%	0.319	S	S	*	.			trans	-123.8	84.3	-168.3	-71.3	-10.9	0	0	0	112.4
109	L	88.8	Confident	87.8	Confident	28 Å²	28	55 Å²	55	15%	0.147	31%	0.313	C	S	.	.			trans	-78	141.5	165.4	-59.1	177.9	0	0	0	110.2	L102 Q106 Y113 Q114 L117 D141	L102-L109 HydrophobicContact CD2-CD1 3.72Å; Q106-L109 HydrophobicContact CG-CD2 3.98Å; L109-Y113 HydrophobicContact CD1-CD1 4.48Å; L109-Y113 HydrophobicContact CD2-CD1 3.92Å; L109-Y113 HydrophobicContact CD2-CE1 4.23Å; L109-Q114 HydrophobicContact CB-CG 3.66Å; L109-Q114 HydrophobicContact CD1-CG 4.1Å; L109-L117 HydrophobicContact CD1-CD1 3.9Å; L109-D141 HydrophobicContact CD2-CB 4.05Å
110	S	91.9	Very high	87.7	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.091	31%	0.31	C	S	.	.			trans	-64.5	148.7	168.7	67.4	0	0	0	0	110.8	T112 Y113 Q114 D141	S110-T112 PolarHBondContact O-N 3.33Å; S110-Y113 PolarHBondContact O-N 2.79Å; S110-Y113 VanDerWaalsContact OG-CB 3.31Å; S110-Y113 WeakPolarHBondContact OG-CB 3.4Å; S110-Y113 PolarHBondContact OG-N 2.86Å; S110-Q114 WeakPolarHBondContact O-CG 3.2Å; S110-Q114 PolarHBondContact O-N 3.28Å; S110-D141 WeakPolarHBondContact CA-OD2 3.44Å; S110-D141 WeakPolarHBondContact CB-OD2 3.34Å; S110-D141 PolarHBondContact N-OD2 3.48Å; S110-D141 PolarHBondContact OG-OD2 3.5Å
111	L	93.1	Very high	87.7	Confident	89 Å²	89	58.1 Å²	58.1	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-55.3	-38.5	177.8	179.4	62.3	0	0	0	111.9	K115	L111-K115 VanDerWaalsContact O-CG 3.29Å; L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.93Å; L111-K115 VanDerWaalsContact O-N 3.1Å
112	T	95.2	Very high	87.6	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-42.8	177.7	-51.1	0	0	0	0	111.3	S110 K115 I116 L143 L199 I242 I429	S110-T112 PolarHBondContact O-N 3.33Å; T112-K115 WeakPolarHBondContact O-CB 3.4Å; T112-K115 PolarHBondContact O-N 3.43Å; T112-I116 WeakPolarHBondContact O-CG1 3.31Å; T112-I116 PolarHBondContact O-N 2.92Å; T112-L143 HydrophobicContact CG2-CD1 3.84Å; T112-L199 HydrophobicContact CG2-CD1 3.98Å; T112-I242 HydrophobicContact CG2-CG2 4.17Å; T112-I429 HydrophobicContact CG2-CD1 3.82Å
113	Y	95.4	Very high	87.6	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-36.8	-179.9	-166.8	-104.9	0	0	0	112.5	L109 S110 K115 I116 L117 P138 S139 L140 D141 L143	L109-Y113 HydrophobicContact CD1-CD1 4.48Å; L109-Y113 HydrophobicContact CD2-CD1 3.92Å; L109-Y113 HydrophobicContact CD2-CE1 4.23Å; S110-Y113 PolarHBondContact O-N 2.79Å; S110-Y113 VanDerWaalsContact OG-CB 3.31Å; S110-Y113 WeakPolarHBondContact OG-CB 3.4Å; S110-Y113 PolarHBondContact OG-N 2.86Å; Y113-K115 VanDerWaalsContact C-N 3.27Å; Y113-K115 PolarHBondContact O-N 2.94Å; Y113-I116 HydrophobicContact CD2-CD1 4.37Å; Y113-I116 WeakPolarHBondContact O-CB 3.37Å; Y113-I116 PolarHBondContact O-N 2.83Å; Y113-I116 VanDerWaalsContact O-N 3.11Å; Y113-L117 HydrophobicContact CD1-CD1 4.03Å; Y113-L117 HydrophobicContact CD1-CG 4.14Å; Y113-L117 HydrophobicContact CE1-CD1 3.74Å; Y113-L117 HydrophobicContact CE1-CD2 4.04Å; Y113-L117 HydrophobicContact CE1-CG 3.85Å; Y113-L117 PolarHBondContact O-N 3.45Å; Y113-P138 PolarHBondContact OH-O 3.37Å; Y113-S139 VanDerWaalsContact OH-C 3.3Å; Y113-S139 VanDerWaalsContact OH-CA 3.32Å; Y113-S139 WeakPolarHBondContact OH-CA 3.44Å; Y113-L140 PolarHBondContact OH-N 3.4Å; Y113-L140 PolarHBondContact OH-O 3.05Å; Y113-D141 WeakPolarHBondContact CB-OD2 3.32Å; Y113-D141 HydrophobicContact CD1-CB 3.85Å; Y113-D141 HydrophobicContact CE1-CB 4.28Å; Y113-D141 HydrophobicContact CG-CB 4.01Å; Y113-L143 HydrophobicContact CD2-CD1 4Å; Y113-L143 HydrophobicContact CD2-CD2 3.97Å; Y113-L143 HydrophobicContact CD2-CG 3.7Å; Y113-L143 HydrophobicContact CG-CD1 4.31Å; Y113-L143 HydrophobicContact CG-CG 4.32Å
114	Q	94.8	Very high	87.9	Confident	89 Å²	89	54.4 Å²	54.4	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-54.7	-46.3	169.6	-70.6	176.4	-11.3	0	0	111	L109 S110 I116 L117 T118	L109-Q114 HydrophobicContact CB-CG 3.66Å; L109-Q114 HydrophobicContact CD1-CG 4.1Å; S110-Q114 WeakPolarHBondContact O-CG 3.2Å; S110-Q114 PolarHBondContact O-N 3.28Å; Q114-I116 VanDerWaalsContact C-N 3.35Å; Q114-I116 PolarHBondContact O-N 2.81Å; Q114-L117 PolarHBondContact O-N 2.88Å; Q114-T118 PolarHBondContact O-N 3.28Å; Q114-T118 PolarHBondContact O-OG1 3.49Å
115	K	95.4	Very high	88.8	Confident	30 Å²	30	49 Å²	49	13%	0.13	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-39.9	176	-71	172	-178.7	175.8	0	112.6	L111 T112 Y113 T118 A119 S244 H246 L248 I429	L111-K115 VanDerWaalsContact O-CG 3.29Å; L111-K115 WeakPolarHBondContact O-CG 3.4Å; L111-K115 PolarHBondContact O-N 2.93Å; L111-K115 VanDerWaalsContact O-N 3.1Å; T112-K115 WeakPolarHBondContact O-CB 3.4Å; T112-K115 PolarHBondContact O-N 3.43Å; Y113-K115 VanDerWaalsContact C-N 3.27Å; Y113-K115 PolarHBondContact O-N 2.94Å; K115-T118 PolarHBondContact O-N 3.5Å; K115-A119 WeakPolarHBondContact O-CB 3.08Å; K115-A119 PolarHBondContact O-N 3.46Å; K115-S244 PolarHBondContact NZ-O 3.49Å; K115-H246 PolarHBondContact NZ-O 3.01Å; K115-L248 HydrophobicContact CB-CD1 3.71Å; K115-L248 HydrophobicContact CD-CB 4.37Å; K115-L248 HydrophobicContact CG-CB 4.15Å; K115-L248 HydrophobicContact CG-CD1 4.11Å; K115-L248 WeakPolarHBondContact O-CD1 3.49Å; K115-I429 HydrophobicContact CB-CB 4.36Å; K115-I429 HydrophobicContact CB-CD1 3.68Å; K115-I429 HydrophobicContact CB-CG2 4.12Å; K115-I429 HydrophobicContact CD-CD1 3.59Å; K115-I429 HydrophobicContact CG-CD1 4.29Å
116	I	96.6	Very high	90.1	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-48.2	174.1	-69.6	169.9	0	0	0	110.5	T112 Y113 Q114 T118 A119 L120 L143 F197 I429 V433	T112-I116 WeakPolarHBondContact O-CG1 3.31Å; T112-I116 PolarHBondContact O-N 2.92Å; Y113-I116 HydrophobicContact CD2-CD1 4.37Å; Y113-I116 WeakPolarHBondContact O-CB 3.37Å; Y113-I116 PolarHBondContact O-N 2.83Å; Y113-I116 VanDerWaalsContact O-N 3.11Å; Q114-I116 VanDerWaalsContact C-N 3.35Å; Q114-I116 PolarHBondContact O-N 2.81Å; I116-T118 PolarHBondContact O-N 3.5Å; I116-A119 PolarHBondContact O-N 2.87Å; I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.45Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.33Å; I116-L120 PolarHBondContact O-N 3.39Å; I116-L143 HydrophobicContact CD1-CD1 4.06Å; I116-L143 HydrophobicContact CD1-CD2 3.87Å; I116-F197 HydrophobicContact CD1-CB 4.48Å; I116-F197 HydrophobicContact CD1-CD1 4.3Å; I116-F197 HydrophobicContact CD1-CG 4.43Å; I116-F197 HydrophobicContact CG2-CD2 4.38Å; I116-F197 HydrophobicContact CG2-CE2 4.38Å; I116-I429 HydrophobicContact CB-CG2 4.49Å; I116-I429 HydrophobicContact CG1-CG2 3.64Å; I116-V433 HydrophobicContact CB-CG2 4.26Å; I116-V433 HydrophobicContact CG1-CG2 4.01Å; I116-V433 HydrophobicContact CG2-CG2 3.95Å
117	L	96.4	Very high	91.4	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.5	-66.6	-178.8	0	0	0	111.8	V99 L102 L109 Y113 Q114 A119 L120 H121	V99-L117 HydrophobicContact CG1-CD2 4.03Å; L102-L117 HydrophobicContact CD2-CD1 3.98Å; L109-L117 HydrophobicContact CD1-CD1 3.9Å; Y113-L117 HydrophobicContact CD1-CD1 4.03Å; Y113-L117 HydrophobicContact CD1-CG 4.14Å; Y113-L117 HydrophobicContact CE1-CD1 3.74Å; Y113-L117 HydrophobicContact CE1-CD2 4.04Å; Y113-L117 HydrophobicContact CE1-CG 3.85Å; Y113-L117 PolarHBondContact O-N 3.45Å; Q114-L117 PolarHBondContact O-N 2.88Å; L117-A119 PolarHBondContact O-N 3.47Å; L117-L120 HydrophobicContact CD2-CD1 4.4Å; L117-L120 PolarHBondContact O-N 3.49Å; L117-H121 WeakPolarHBondContact O-CB 3.44Å; L117-H121 PolarHBondContact O-CD2 2.94Å; L117-H121 PolarHBondContact O-N 2.85Å
118	T	95	Very high	93	Very high	48 Å²	48	42.8 Å²	42.8	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-45.5	175.4	-56	0	0	0	0	111.5	Q114 K115 I116 L120 H121 N122 L248	Q114-T118 PolarHBondContact O-N 3.28Å; Q114-T118 PolarHBondContact O-OG1 3.49Å; K115-T118 PolarHBondContact O-N 3.5Å; I116-T118 PolarHBondContact O-N 3.5Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 2.81Å; T118-H121 PolarHBondContact O-N 3.23Å; T118-N122 WeakPolarHBondContact O-CB 3.45Å; T118-N122 VanDerWaalsContact O-CG 3.25Å; T118-N122 PolarHBondContact O-N 2.92Å; T118-L248 HydrophobicContact CG2-CD1 4.46Å; T118-L248 HydrophobicContact CG2-CD2 3.76Å
119	A	94.5	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-40.8	176.1	0	0	0	0	0	112.4	K115 I116 L117 S123 L248 E430 V433	K115-A119 WeakPolarHBondContact O-CB 3.08Å; K115-A119 PolarHBondContact O-N 3.46Å; I116-A119 PolarHBondContact O-N 2.87Å; L117-A119 PolarHBondContact O-N 3.47Å; A119-S123 PolarHBondContact O-N 3.01Å; A119-L248 HydrophobicContact CB-CD1 4.43Å; A119-E430 HydrophobicContact CB-CB 4.06Å; A119-E430 HydrophobicContact CB-CG 4.16Å; A119-V433 HydrophobicContact CB-CB 4.21Å; A119-V433 HydrophobicContact CB-CG1 4.3Å; A119-V433 HydrophobicContact CB-CG2 4.34Å
120	L	95.7	Very high	94	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-45.4	175.6	-69.8	169.7	0	0	0	111.8	V99 I116 L117 T118 N122 S123 I137 V433 L437	V99-L120 HydrophobicContact CG2-CB 3.93Å; V99-L120 HydrophobicContact CG2-CD1 4.07Å; V99-L120 HydrophobicContact CG2-CG 4.5Å; I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.45Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.33Å; I116-L120 PolarHBondContact O-N 3.39Å; L117-L120 HydrophobicContact CD2-CD1 4.4Å; L117-L120 PolarHBondContact O-N 3.49Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 2.81Å; L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.44Å; L120-S123 WeakPolarHBondContact O-CB 3.18Å; L120-S123 PolarHBondContact O-N 3.06Å; L120-S123 VanDerWaalsContact O-N 3.11Å; L120-S123 PolarHBondContact O-OG 2.96Å; L120-I137 HydrophobicContact CD1-CB 4.44Å; L120-I137 HydrophobicContact CD1-CD1 3.76Å; L120-I137 HydrophobicContact CD1-CG2 3.87Å; L120-I137 HydrophobicContact CD2-CD1 3.55Å; L120-I137 HydrophobicContact CG-CD1 4.32Å; L120-V433 HydrophobicContact CD2-CG1 3.46Å; L120-V433 VanDerWaalsContact CD2-CG1 3.46Å; L120-V433 HydrophobicContact CG-CG1 3.84Å; L120-L437 HydrophobicContact CD2-CD1 3.83Å
121	H	94.7	Very high	94.1	Very high	87 Å²	87	41.1 Å²	41.1	40%	0.403	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-36	-179.9	-80.7	-64	0	0	0	112.9	L117 T118 S123	L117-H121 WeakPolarHBondContact O-CB 3.44Å; L117-H121 PolarHBondContact O-CD2 2.94Å; L117-H121 PolarHBondContact O-N 2.85Å; T118-H121 PolarHBondContact O-N 3.23Å; H121-S123 PolarHBondContact O-N 3.39Å
122	N	90.9	Very high	94.1	Very high	39 Å²	39	40.2 Å²	40.2	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-76.1	-10	175.4	-67.6	-10	0	0	0	113	T118 L120 T742 K744	T118-N122 WeakPolarHBondContact O-CB 3.45Å; T118-N122 VanDerWaalsContact O-CG 3.25Å; T118-N122 PolarHBondContact O-N 2.92Å; L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.44Å; N122-T742 HydrophobicContact CB-CG2 4.5Å; N122-T742 WeakPolarHBondContact O-CB 3.45Å; N122-K744 WeakPolarHBondContact O-CB 3.22Å
123	S	91	Very high	94.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-74	142.3	-179.5	79.2	0	0	0	0	112.5	A119 L120 H121 L125 L126 K744	A119-S123 PolarHBondContact O-N 3.01Å; L120-S123 WeakPolarHBondContact O-CB 3.18Å; L120-S123 PolarHBondContact O-N 3.06Å; L120-S123 VanDerWaalsContact O-N 3.11Å; L120-S123 PolarHBondContact O-OG 2.96Å; H121-S123 PolarHBondContact O-N 3.39Å; S123-L125 PolarHBondContact O-N 3.27Å; S123-L126 PolarHBondContact O-N 2.94Å; S123-L126 PolarHBondContact OG-N 3Å; S123-K744 VanDerWaalsContact O-CD 3.25Å; S123-K744 WeakPolarHBondContact O-CD 3.02Å; S123-K744 WeakPolarHBondContact O-CE 3.49Å; S123-K744 PolarHBondContact O-NZ 2.9Å; S123-K744 VanDerWaalsContact O-NZ 3.13Å
124	K	87.3	Confident	94.1	Very high	119 Å²	119	39.6 Å²	39.6	52%	0.517	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.5	167.8	-79.2	174.5	169.7	163.3	0	113.6	L126 G743 K744	K124-L126 VanDerWaalsContact C-N 3.33Å; K124-G743 VanDerWaalsContact CE-C 3.41Å; K124-G743 VanDerWaalsContact CE-CA 3.44Å; K124-G743 WeakPolarHBondContact CE-O 3.45Å; K124-K744 HydrophobicContact CG-CG 4.32Å
125	L	91.7	Very high	94.3	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.068	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.7	-176	-54.8	177.4	0	0	0	112.8	F95 K96 V97 S123 T127 L437	F95-L125 HydrophobicContact CD1-CD1 4.16Å; F95-L125 HydrophobicContact CD1-CD2 4.26Å; F95-L125 HydrophobicContact CE1-CD1 4.14Å; K96-L125 CarbonylContact C-O 3.47Å; K96-L125 VanDerWaalsContact CA-O 3.28Å; K96-L125 WeakPolarHBondContact CA-O 3.34Å; V97-L125 HydrophobicContact CG2-CB 4.05Å; V97-L125 PolarHBondContact N-O 2.96Å; S123-L125 PolarHBondContact O-N 3.27Å; L125-T127 PolarHBondContact O-N 2.89Å; L125-L437 HydrophobicContact CD1-CB 3.91Å; L125-L437 HydrophobicContact CD1-CD1 3.93Å
126	L	95.5	Very high	94.4	Very high	38 Å²	38	34 Å²	34	20%	0.199	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.8	-178.1	-178.6	90.6	0	0	0	112.2	V97 V99 S123 K124 K744	V97-L126 WeakPolarHBondContact O-CA 3.36Å; V99-L126 HydrophobicContact CB-CD1 3.88Å; V99-L126 HydrophobicContact CG2-CD1 3.53Å; S123-L126 PolarHBondContact O-N 2.94Å; S123-L126 PolarHBondContact OG-N 3Å; K124-L126 VanDerWaalsContact C-N 3.33Å; L126-K744 PolarHBondContact O-NZ 3.14Å; L126-K744 VanDerWaalsContact O-NZ 3.07Å
127	T	95.2	Very high	94.5	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.4	166.1	-173.5	0	0	0	0	111.7	K96 V97 L125 D129 E132 A133	K96-T127 HydrophobicContact CB-CG2 3.76Å; K96-T127 HydrophobicContact CD-CG2 4.36Å; V97-T127 PolarHBondContact O-N 3.19Å; L125-T127 PolarHBondContact O-N 2.89Å; T127-D129 VanDerWaalsContact CG2-O 3.32Å; T127-D129 WeakPolarHBondContact CG2-O 3.26Å; T127-D129 PolarHBondContact OG1-N 3.33Å; T127-E132 HydrophobicContact CG2-CB 4.46Å; T127-E132 PolarHBondContact OG1-OE2 3.48Å; T127-E132 VanDerWaalsContact OG1-OE2 3.13Å; T127-A133 HydrophobicContact CG2-CB 3.97Å
128	S	94.8	Very high	94.4	Very high	115 Å²	115	33.5 Å²	33.5	80%	0.804	18%	0.181	S	C	*	.	S	Bend	trans	-88.5	-16.4	170.5	53.3	0	0	0	0	113.2
129	D	94.7	Very high	94.4	Very high	58 Å²	58	31.4 Å²	31.4	31%	0.31	17%	0.168	S	C	.	.			trans	-95.5	114.4	178.9	-176.8	1	0	0	0	110.6	T127 N131 E132	T127-D129 VanDerWaalsContact CG2-O 3.32Å; T127-D129 WeakPolarHBondContact CG2-O 3.26Å; T127-D129 PolarHBondContact OG1-N 3.33Å; D129-N131 PolarHBondContact O-N 2.91Å; D129-N131 WeakPolarHBondContact OD1-CB 3.26Å; D129-N131 PolarHBondContact OD1-N 3.45Å; D129-N131 PolarHBondContact OD1-ND2 2.98Å; D129-E132 HydrophobicContact CB-CG 4.07Å; D129-E132 PolarHBondContact O-N 3.3Å
130	P	94.8	Very high	94.4	Very high	24 Å²	24	31.7 Å²	31.7	16%	0.156	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-63.7	-21.6	178	27.8	-35.6	0	0	0	113.4	Y98 E132 A133 F136 F165 P170	Y98-P130 HydrophobicContact CD2-CB 4.07Å; Y98-P130 HydrophobicContact CE2-CB 4.08Å; Y98-P130 HydrophobicContact CE2-CG 4.37Å; Y98-P130 HydrophobicContact CG-CB 4.29Å; P130-E132 VanDerWaalsContact C-N 3.27Å; P130-E132 PolarHBondContact O-N 3.42Å; P130-A133 PolarHBondContact O-N 2.98Å; P130-F136 HydrophobicContact CB-CE1 3.96Å; P130-F136 HydrophobicContact CB-CZ 4.42Å; P130-F136 WeakPolarHBondContact O-CZ 3.47Å; P130-F165 HydrophobicContact CB-CD2 4.19Å; P130-F165 HydrophobicContact CB-CE2 3.56Å; P130-F165 HydrophobicContact CB-CZ 3.9Å; P130-F165 HydrophobicContact CG-CE2 3.87Å; P130-F165 HydrophobicContact CG-CZ 3.8Å; P130-P170 HydrophobicContact CB-CG 4.07Å
131	N	93	Very high	94.3	Very high	70 Å²	70	31.9 Å²	31.9	37%	0.374	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-74.3	-17.3	178.9	-60.4	-68.9	0	0	0	113.7	D129 P170	D129-N131 PolarHBondContact O-N 2.91Å; D129-N131 WeakPolarHBondContact OD1-CB 3.26Å; D129-N131 PolarHBondContact OD1-N 3.45Å; D129-N131 PolarHBondContact OD1-ND2 2.98Å; N131-P170 VanDerWaalsContact OD1-CB 3.3Å; N131-P170 WeakPolarHBondContact OD1-CB 2.98Å
132	E	93	Very high	94.3	Very high	70 Å²	70	27.9 Å²	27.9	33%	0.327	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-94.4	-7.9	175.5	-58.6	-172.8	145	0	0	112.6	K96 T127 D129 P130	K96-E132 HydrophobicContact CD-CB 3.86Å; K96-E132 VanDerWaalsContact NZ-CD 3.32Å; K96-E132 IonicContact NZ-OE1 2.92Å; K96-E132 IonicContact NZ-OE2 2.68Å; K96-E132 PolarHBondContact NZ-OE2 3.43Å; T127-E132 HydrophobicContact CG2-CB 4.46Å; T127-E132 PolarHBondContact OG1-OE2 3.48Å; T127-E132 VanDerWaalsContact OG1-OE2 3.13Å; D129-E132 HydrophobicContact CB-CG 4.07Å; D129-E132 PolarHBondContact O-N 3.3Å; P130-E132 VanDerWaalsContact C-N 3.27Å; P130-E132 PolarHBondContact O-N 3.42Å
133	A	96	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	14%	0.144	C	C	.	.			trans	-83.4	128.5	-169.2	0	0	0	0	0	112.4	P90 Y98 T127 P130 F136	P90-A133 WeakPolarHBondContact CB-O 3.36Å; Y98-A133 VanDerWaalsContact CB-CB 3.45Å; T127-A133 HydrophobicContact CG2-CB 3.97Å; P130-A133 PolarHBondContact O-N 2.98Å; A133-F136 HydrophobicContact CB-CE1 4.32Å; A133-F136 HydrophobicContact CB-CE2 4.08Å; A133-F136 HydrophobicContact CB-CZ 3.86Å
134	C	95.9	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-79	-41.8	169.6	172.5	0	0	0	0	111.2	C91 F95 K96 N193	C91-C134 HydrophobicContact CB-CB 3.82Å; C91-C134 WeakPolarHBondContact CB-SG 3.29Å; C91-C134 WeakPolarHBondContact SG-CB 3.46Å; C91-C134 CovalentContact SG-SG 2.03Å; C91-C134 PolarHBondContact SG-SG 3.21Å; F95-C134 HydrophobicContact CD2-CB 3.99Å; F95-C134 WeakPolarHBondContact CD2-SG 3.43Å; F95-C134 HydrophobicContact CE2-CB 4.28Å; F95-C134 VanDerWaalsContact CE2-SG 3.51Å; K96-C134 PolarHBondContact O-N 3.26Å; C134-N193 WeakPolarHBondContact O-CB 3.41Å; C134-N193 PolarHBondContact O-ND2 3.27Å
135	I	97.8	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.2	-175.9	-60.2	-58.1	0	0	0	111.1	F86 F95 K96 V97 Y98 I137 N193 L195 M220 I440	F86-I135 HydrophobicContact CE2-CD1 3.5Å; F86-I135 HydrophobicContact CZ-CD1 3.82Å; F95-I135 HydrophobicContact CE2-CD1 4.46Å; F95-I135 HydrophobicContact CE2-CG1 3.68Å; F95-I135 HydrophobicContact CZ-CG1 3.63Å; K96-I135 PolarHBondContact O-N 2.95Å; V97-I135 WeakPolarHBondContact CA-O 3.3Å; V97-I135 HydrophobicContact CG2-CB 4.38Å; Y98-I135 PolarHBondContact N-O 3.11Å; I135-I137 HydrophobicContact CG2-CG1 4.21Å; I135-N193 WeakPolarHBondContact CA-O 3.36Å; I135-L195 HydrophobicContact CG2-CB 3.98Å; I135-M220 HydrophobicContact CD1-CE 3.61Å; I135-I440 HydrophobicContact CD1-CG2 3.81Å; I135-I440 HydrophobicContact CG1-CG2 4.05Å
136	F	98.4	Very high	94.9	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.2	177	-68.3	-100	0	0	0	110.6	Y98 Y100 P130 A133 F165 L169 P170 N193 H194 L195	Y98-F136 AromaticContact CD1-CD1 3.65Å; Y98-F136 HydrophobicContact CD1-CD1 3.65Å; Y98-F136 AromaticContact CD1-CE1 3.91Å; Y98-F136 HydrophobicContact CD1-CE1 3.91Å; Y98-F136 HydrophobicContact CG-CD1 4.21Å; Y98-F136 HydrophobicContact CG-CE1 4.2Å; Y98-F136 WeakPolarHBondContact O-CA 3.47Å; Y100-F136 HydrophobicContact CE2-CB 4.12Å; Y100-F136 HydrophobicContact CE2-CD1 4.15Å; P130-F136 HydrophobicContact CB-CE1 3.96Å; P130-F136 HydrophobicContact CB-CZ 4.42Å; P130-F136 WeakPolarHBondContact O-CZ 3.47Å; A133-F136 HydrophobicContact CB-CE1 4.32Å; A133-F136 HydrophobicContact CB-CE2 4.08Å; A133-F136 HydrophobicContact CB-CZ 3.86Å; F136-F165 HydrophobicContact CD1-CD2 4.18Å; F136-F165 HydrophobicContact CE1-CB 4.31Å; F136-F165 AromaticContact CE1-CD2 3.77Å; F136-F165 HydrophobicContact CE1-CD2 3.77Å; F136-F165 HydrophobicContact CE1-CE2 4.5Å; F136-F165 HydrophobicContact CE1-CG 4.26Å; F136-L169 HydrophobicContact CD2-CD2 3.89Å; F136-L169 HydrophobicContact CE2-CD2 3.7Å; F136-L169 HydrophobicContact CZ-CD2 4.44Å; F136-P170 HydrophobicContact CE1-CG 4.36Å; F136-P170 HydrophobicContact CZ-CG 3.95Å; F136-N193 PolarHBondContact N-O 3.37Å; F136-H194 CarbonylContact O-C 3.58Å; F136-H194 VanDerWaalsContact O-CA 3.25Å; F136-H194 WeakPolarHBondContact O-CA 3.42Å; F136-L195 PolarHBondContact O-N 2.89Å
137	I	98	Very high	94.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.8	177.5	-59.5	175.3	0	0	0	108.3	V97 Y98 V99 Y100 L120 I135 L195 F197 L437	V97-I137 HydrophobicContact CG1-CD1 3.56Å; V97-I137 HydrophobicContact CG1-CG1 4.03Å; Y98-I137 PolarHBondContact O-N 3.38Å; V99-I137 WeakPolarHBondContact CA-O 3.19Å; V99-I137 HydrophobicContact CG2-CB 4.41Å; Y100-I137 WeakPolarHBondContact CD2-O 3.37Å; Y100-I137 PolarHBondContact N-O 3.14Å; L120-I137 HydrophobicContact CD1-CB 4.44Å; L120-I137 HydrophobicContact CD1-CD1 3.76Å; L120-I137 HydrophobicContact CD1-CG2 3.87Å; L120-I137 HydrophobicContact CD2-CD1 3.55Å; L120-I137 HydrophobicContact CG-CD1 4.32Å; I135-I137 HydrophobicContact CG2-CG1 4.21Å; I137-L195 HydrophobicContact CD1-CD2 4.26Å; I137-L195 HydrophobicContact CG1-CB 4.19Å; I137-F197 HydrophobicContact CD1-CE2 4.31Å; I137-F197 HydrophobicContact CG2-CE2 4.41Å; I137-L437 HydrophobicContact CD1-CD2 4.23Å
138	P	95.6	Very high	94.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	16%	0.161	C	C	.	.			trans	-57.2	142.6	170.6	-25.9	37.3	0	0	0	110.4	Y113 L140 L160 L163 I196	Y113-P138 PolarHBondContact OH-O 3.37Å; P138-L140 HydrophobicContact CB-CB 4.23Å; P138-L140 HydrophobicContact CB-CD1 4.31Å; P138-L140 HydrophobicContact CB-CG 4.13Å; P138-L140 PolarHBondContact O-N 3.19Å; P138-L160 HydrophobicContact CB-CD1 4.09Å; P138-L160 HydrophobicContact CG-CD1 3.62Å; P138-L163 HydrophobicContact CB-CD1 3.77Å; P138-L163 HydrophobicContact CG-CD1 3.79Å; P138-I196 HydrophobicContact CG-CD1 3.57Å
139	S	94.2	Very high	94	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	13%	0.13	C	C	.	.			trans	-88.7	37.8	167.3	-68.3	0	0	0	0	111.9	V99 Y100 Q106 Y113	V99-S139 WeakPolarHBondContact CG1-OG 3.38Å; Y100-S139 VanDerWaalsContact O-CB 3.23Å; Y100-S139 WeakPolarHBondContact O-CB 3.27Å; Y100-S139 PolarHBondContact O-OG 3.33Å; Q106-S139 PolarHBondContact OE1-O 3.21Å; Q106-S139 VanDerWaalsContact OE1-O 3.05Å; Y113-S139 VanDerWaalsContact OH-C 3.3Å; Y113-S139 VanDerWaalsContact OH-CA 3.32Å; Y113-S139 WeakPolarHBondContact OH-CA 3.44Å
140	L	93.3	Very high	93.5	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-106.7	130	179.3	-58.4	176.9	0	0	0	109.1	Y113 P138 T142 I156 E159 L160 L163	Y113-L140 PolarHBondContact OH-N 3.4Å; Y113-L140 PolarHBondContact OH-O 3.05Å; P138-L140 HydrophobicContact CB-CB 4.23Å; P138-L140 HydrophobicContact CB-CD1 4.31Å; P138-L140 HydrophobicContact CB-CG 4.13Å; P138-L140 PolarHBondContact O-N 3.19Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 2.98Å; L140-I156 HydrophobicContact CB-CG2 4.18Å; L140-E159 HydrophobicContact CD1-CB 3.99Å; L140-E159 HydrophobicContact CD2-CB 4.07Å; L140-E159 WeakPolarHBondContact CD2-OE2 3.38Å; L140-L160 HydrophobicContact CD1-CB 3.87Å; L140-L160 HydrophobicContact CD1-CD1 4.09Å; L140-L163 HydrophobicContact CD1-CD1 4.28Å
141	D	93.8	Very high	93	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	17%	0.168	C	C	.	.			trans	-76.9	84	-174.7	-169.4	-15.4	0	0	0	111	L109 S110 Y113 L143 I156	L109-D141 HydrophobicContact CD2-CB 4.05Å; S110-D141 WeakPolarHBondContact CA-OD2 3.44Å; S110-D141 WeakPolarHBondContact CB-OD2 3.34Å; S110-D141 PolarHBondContact N-OD2 3.48Å; S110-D141 PolarHBondContact OG-OD2 3.5Å; Y113-D141 WeakPolarHBondContact CB-OD2 3.32Å; Y113-D141 HydrophobicContact CD1-CB 3.85Å; Y113-D141 HydrophobicContact CE1-CB 4.28Å; Y113-D141 HydrophobicContact CG-CB 4.01Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 WeakPolarHBondContact OD1-CB 3.47Å; D141-L143 WeakPolarHBondContact OD1-CG 3.46Å; D141-L143 PolarHBondContact OD1-N 2.72Å; D141-L143 VanDerWaalsContact OD1-N 3.16Å; D141-I156 WeakPolarHBondContact O-CD1 3.19Å
142	T	94.6	Very high	92.8	Very high	3 Å²	3	31 Å²	31	2%	0.018	16%	0.158	C	C	.	.			trans	-87.4	7.2	178.8	54	0	0	0	0	112.9	L140 D144 I156 I196 F197 N198 L214	L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 2.98Å; T142-D144 PolarHBondContact O-N 2.85Å; T142-I156 HydrophobicContact CG2-CG2 3.82Å; T142-I196 HydrophobicContact CG2-CG2 4.11Å; T142-I196 WeakPolarHBondContact OG1-CG2 3.33Å; T142-F197 CarbonylContact C-O 3.53Å; T142-F197 PolarHBondContact OG1-O 3.39Å; T142-N198 PolarHBondContact O-ND2 3.23Å; T142-L214 HydrophobicContact CG2-CD1 3.73Å
143	L	95.3	Very high	92.5	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	-63.6	-42.3	-173.9	-61.5	-170.9	0	0	0	112	T112 Y113 I116 D141 F197 N198 L199 H200	T112-L143 HydrophobicContact CG2-CD1 3.84Å; Y113-L143 HydrophobicContact CD2-CD1 4Å; Y113-L143 HydrophobicContact CD2-CD2 3.97Å; Y113-L143 HydrophobicContact CD2-CG 3.7Å; Y113-L143 HydrophobicContact CG-CD1 4.31Å; Y113-L143 HydrophobicContact CG-CG 4.32Å; I116-L143 HydrophobicContact CD1-CD1 4.06Å; I116-L143 HydrophobicContact CD1-CD2 3.87Å; D141-L143 VanDerWaalsContact C-N 3.28Å; D141-L143 WeakPolarHBondContact OD1-CB 3.47Å; D141-L143 WeakPolarHBondContact OD1-CG 3.46Å; D141-L143 PolarHBondContact OD1-N 2.72Å; D141-L143 VanDerWaalsContact OD1-N 3.16Å; L143-F197 HydrophobicContact CD2-CB 3.61Å; L143-N198 PolarHBondContact O-ND2 2.81Å; L143-L199 HydrophobicContact CB-CG 4.45Å; L143-L199 HydrophobicContact CD1-CD1 4.1Å; L143-L199 HydrophobicContact CD2-CD1 4.47Å; L143-L199 HydrophobicContact CD2-CG 4.2Å; L143-L199 PolarHBondContact O-N 2.87Å; L143-H200 PolarHBondContact O-N 3.24Å
144	D	93.8	Very high	91.9	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.102	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-116.6	112.3	-177.4	-160.6	-16.8	0	0	0	112.5	T142 D146 S149 H151 H200	T142-D144 PolarHBondContact O-N 2.85Å; D144-D146 VanDerWaalsContact OD1-CB 3.3Å; D144-D146 WeakPolarHBondContact OD1-CB 3.07Å; D144-D146 PolarHBondContact OD1-N 3.07Å; D144-S149 VanDerWaalsContact CG-CB 3.45Å; D144-S149 VanDerWaalsContact CG-OG 3.28Å; D144-S149 WeakPolarHBondContact OD2-CB 3.39Å; D144-S149 PolarHBondContact OD2-OG 3.49Å; D144-H151 HydrophobicContact CB-CB 4.25Å; D144-H200 HydrophobicContact CB-CB 4.4Å; D144-H200 WeakPolarHBondContact OD1-CB 3.46Å; D144-H200 IonicContact OD2-CD2 3.88Å
145	R	92.7	Very high	91.5	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.011	22%	0.216	C	C	.	.			trans	-112.4	12.9	-179.9	-56.7	-54.5	-60.4	159.5	-2.1	112.7	G153 H200 Y212 R213 L214	R145-G153 PolarHBondContact NH1-O 3.29Å; R145-H200 PolarHBondContact N-O 3.35Å; R145-Y212 VanDerWaalsContact CB-O 3.31Å; R145-Y212 WeakPolarHBondContact CB-O 3.13Å; R145-Y212 VanDerWaalsContact CG-O 3.32Å; R145-Y212 WeakPolarHBondContact CG-O 3.42Å; R145-Y212 PolarHBondContact NE-O 3.35Å; R145-Y212 VanDerWaalsContact NE-O 3.08Å; R145-R213 PolarHBondContact NH2-O 2.67Å; R145-R213 PolarHBondContact O-NH1 3.04Å; R145-L214 HydrophobicContact CG-CD1 4.39Å
146	D	91.9	Very high	91.1	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.059	22%	0.218	C	C	.	.			trans	-78.5	121.9	171.3	-170.2	-23.8	0	0	0	110.1	D144 L148 S149 F152 T203 R351	D144-D146 VanDerWaalsContact OD1-CB 3.3Å; D144-D146 WeakPolarHBondContact OD1-CB 3.07Å; D144-D146 PolarHBondContact OD1-N 3.07Å; D146-L148 PolarHBondContact O-N 3.43Å; D146-L148 WeakPolarHBondContact OD1-CB 3.36Å; D146-L148 PolarHBondContact OD1-N 3.08Å; D146-S149 WeakPolarHBondContact O-CB 3.45Å; D146-S149 PolarHBondContact O-N 3.01Å; D146-F152 WeakPolarHBondContact O-CB 3.37Å; D146-T203 WeakPolarHBondContact OD1-CG2 3.24Å; D146-R351 IonicContact OD2-NH2 3.34Å
147	R	89.6	Confident	90.7	Very high	119 Å²	119	45.3 Å²	45.3	45%	0.449	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.2	-176.9	-49.2	-156	176.2	145.5	-9.5	113.4	Y63 F152 R213	Y63-R147 PolarHBondContact OH-NH1 2.48Å; R147-F152 HydrophobicContact CB-CD1 4.46Å; R147-F152 HydrophobicContact CG-CE1 4.22Å; R147-F152 HydrophobicContact CG-CE2 4.32Å; R147-F152 HydrophobicContact CG-CZ 4.1Å; R147-R213 VanDerWaalsContact NE-NE 3.17Å
148	L	88.7	Confident	90.3	Very high	119 Å²	119	51.3 Å²	51.3	62%	0.623	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.2	177.6	-57.3	178.8	0	0	0	111.2	D146 T203 W204	D146-L148 PolarHBondContact O-N 3.43Å; D146-L148 WeakPolarHBondContact OD1-CB 3.36Å; D146-L148 PolarHBondContact OD1-N 3.08Å; L148-T203 HydrophobicContact CD1-CG2 4.19Å; L148-T203 HydrophobicContact CG-CG2 4.08Å; L148-W204 HydrophobicContact CD1-CB 3.95Å
149	S	88	Confident	90.1	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	26%	0.262	C	S	.	.	S	Bend	trans	-78.2	136.8	177.1	-175.6	0	0	0	0	111.4	D144 D146 H151 F152	D144-S149 VanDerWaalsContact CG-CB 3.45Å; D144-S149 VanDerWaalsContact CG-OG 3.28Å; D144-S149 WeakPolarHBondContact OD2-CB 3.39Å; D144-S149 PolarHBondContact OD2-OG 3.49Å; D146-S149 WeakPolarHBondContact O-CB 3.45Å; D146-S149 PolarHBondContact O-N 3.01Å; S149-H151 PolarHBondContact O-N 3.19Å; S149-H151 PolarHBondContact OG-N 2.03Å; S149-F152 VanDerWaalsContact O-CB 3.31Å; S149-F152 WeakPolarHBondContact O-CB 3.38Å; S149-F152 PolarHBondContact O-N 2.84Å; S149-F152 VanDerWaalsContact O-N 3.13Å
150	P	85	Confident	90	Very high	123 Å²	123	52.5 Å²	52.5	80%	0.799	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.8	170.1	28.9	-35.7	0	0	0	112.8	F152	P150-F152 VanDerWaalsContact C-N 3.33Å
151	H	85	Confident	89.9	Confident	100 Å²	100	53.6 Å²	53.6	46%	0.463	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.3	177.3	-59.9	-63.1	0	0	0	113.1	D144 S149 G153	D144-H151 HydrophobicContact CB-CB 4.25Å; S149-H151 PolarHBondContact O-N 3.19Å; S149-H151 PolarHBondContact OG-N 2.03Å; H151-G153 PolarHBondContact O-N 2.96Å
152	F	88.2	Confident	89.8	Confident	38 Å²	38	58.1 Å²	58.1	17%	0.167	29%	0.292	C	S	.	.			trans	-69.8	102.2	177.4	-176.6	-104	0	0	0	111.9	D146 R147 S149 P150 Q154	D146-F152 WeakPolarHBondContact O-CB 3.37Å; R147-F152 HydrophobicContact CB-CD1 4.46Å; R147-F152 HydrophobicContact CG-CE1 4.22Å; R147-F152 HydrophobicContact CG-CE2 4.32Å; R147-F152 HydrophobicContact CG-CZ 4.1Å; S149-F152 VanDerWaalsContact O-CB 3.31Å; S149-F152 WeakPolarHBondContact O-CB 3.38Å; S149-F152 PolarHBondContact O-N 2.84Å; S149-F152 VanDerWaalsContact O-N 3.13Å; P150-F152 VanDerWaalsContact C-N 3.33Å; F152-Q154 HydrophobicContact CD1-CG 4.1Å; F152-Q154 HydrophobicContact CE1-CG 4.04Å; F152-Q154 PolarHBondContact O-N 3Å
153	G	85.8	Confident	89.7	Confident	21 Å²	21	59.2 Å²	59.2	22%	0.216	30%	0.298	C	S	.	.			trans	-75.5	111	172.2	0	0	0	0	0	112.3	R145 H151	R145-G153 PolarHBondContact NH1-O 3.29Å; H151-G153 PolarHBondContact O-N 2.96Å
154	Q	83.5	Confident	89.6	Confident	146 Å²	146	62.4 Å²	62.4	68%	0.682	32%	0.319	S	S	*	.	S	Bend	trans	-65.3	-39	-179.6	-65.1	-176.3	4.4	0	0	112.8	F152	F152-Q154 HydrophobicContact CD1-CG 4.1Å; F152-Q154 HydrophobicContact CE1-CG 4.04Å; F152-Q154 PolarHBondContact O-N 3Å
155	Y	87.9	Confident	89.6	Confident	168 Å²	168	63.5 Å²	63.5	66%	0.659	32%	0.323	S	S	*	.	S	Bend	trans	-85.6	-9.6	-175.9	-58.7	-71.1	0	0	0	114.3	A157 H158 E159	Y155-A157 VanDerWaalsContact C-N 3.27Å; Y155-A157 PolarHBondContact O-N 2.9Å; Y155-H158 WeakPolarHBondContact O-CB 3.28Å; Y155-H158 PolarHBondContact O-N 3.27Å; Y155-E159 PolarHBondContact O-N 3.14Å
156	I	90.5	Very high	89.7	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-38.9	-174.2	-67.5	-177.4	0	0	0	112.3	L140 D141 T142 H158 E159 L160 L214	L140-I156 HydrophobicContact CB-CG2 4.18Å; D141-I156 WeakPolarHBondContact O-CD1 3.19Å; T142-I156 HydrophobicContact CG2-CG2 3.82Å; I156-H158 VanDerWaalsContact C-N 3.3Å; I156-H158 PolarHBondContact O-N 2.91Å; I156-E159 PolarHBondContact O-N 2.81Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 3.2Å; I156-L160 PolarHBondContact O-N 3.32Å; I156-L214 HydrophobicContact CG2-CD2 4.01Å
157	A	90.1	Very high	89.7	Confident	26 Å²	26	65.2 Å²	65.2	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-37.4	179.3	0	0	0	0	0	112.4	Y155 V161 L214	Y155-A157 VanDerWaalsContact C-N 3.27Å; Y155-A157 PolarHBondContact O-N 2.9Å; A157-V161 WeakPolarHBondContact O-CG2 2.99Å; A157-L214 HydrophobicContact CB-CD2 3.95Å
158	H	89.9	Confident	89.7	Confident	128 Å²	128	62.2 Å²	62.2	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-75.4	-41.7	177.2	175.1	-91.2	0	0	0	111.1	Y155 I156 L160 N162	Y155-H158 WeakPolarHBondContact O-CB 3.28Å; Y155-H158 PolarHBondContact O-N 3.27Å; I156-H158 VanDerWaalsContact C-N 3.3Å; I156-H158 PolarHBondContact O-N 2.91Å; H158-L160 VanDerWaalsContact C-N 3.35Å; H158-L160 PolarHBondContact O-N 2.78Å; H158-N162 PolarHBondContact CE1-ND2 2.89Å; H158-N162 PolarHBondContact ND1-ND2 3.47Å; H158-N162 PolarHBondContact NE2-ND2 3.48Å; H158-N162 VanDerWaalsContact NE2-ND2 3.11Å; H158-N162 PolarHBondContact O-N 2.95Å; H158-N162 PolarHBondContact O-ND2 2.88Å
159	E	90.6	Very high	89.8	Confident	31 Å²	31	57.9 Å²	57.9	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-40.5	178.1	-69	-173.6	165.1	0	0	112	L140 Y155 I156 V161 N162 L163	L140-E159 HydrophobicContact CD1-CB 3.99Å; L140-E159 HydrophobicContact CD2-CB 4.07Å; L140-E159 WeakPolarHBondContact CD2-OE2 3.38Å; Y155-E159 PolarHBondContact O-N 3.14Å; I156-E159 PolarHBondContact O-N 2.81Å; E159-V161 PolarHBondContact O-N 2.88Å; E159-N162 PolarHBondContact O-N 3.01Å; E159-L163 PolarHBondContact O-N 2.99Å
160	L	92.3	Very high	89.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-47.9	179.2	-176	67.5	0	0	0	112.3	P138 L140 I156 H158 N162 L163 W166 I196 L214	P138-L160 HydrophobicContact CB-CD1 4.09Å; P138-L160 HydrophobicContact CG-CD1 3.62Å; L140-L160 HydrophobicContact CD1-CB 3.87Å; L140-L160 HydrophobicContact CD1-CD1 4.09Å; I156-L160 VanDerWaalsContact O-CB 3.28Å; I156-L160 WeakPolarHBondContact O-CB 3.2Å; I156-L160 PolarHBondContact O-N 3.32Å; H158-L160 VanDerWaalsContact C-N 3.35Å; H158-L160 PolarHBondContact O-N 2.78Å; L160-N162 PolarHBondContact O-N 3.07Å; L160-L163 HydrophobicContact CD1-CD1 4Å; L160-L163 WeakPolarHBondContact O-CG 3.35Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-W166 HydrophobicContact CD1-CE3 3.86Å; L160-W166 HydrophobicContact CD1-CH2 4.04Å; L160-W166 HydrophobicContact CD1-CZ3 3.59Å; L160-W166 HydrophobicContact CD2-CH2 3.89Å; L160-W166 HydrophobicContact CD2-CZ2 4.1Å; L160-W166 HydrophobicContact CD2-CZ3 4.3Å; L160-W166 HydrophobicContact CG-CD2 4.28Å; L160-W166 HydrophobicContact CG-CE3 4.1Å; L160-W166 HydrophobicContact CG-CH2 3.95Å; L160-W166 HydrophobicContact CG-CZ2 4.14Å; L160-W166 HydrophobicContact CG-CZ3 3.93Å; L160-I196 HydrophobicContact CD1-CD1 4.04Å; L160-L214 HydrophobicContact CD2-CB 4.4Å; L160-L214 HydrophobicContact CD2-CD2 4.28Å
161	V	91.6	Very high	89	Confident	29 Å²	29	61 Å²	61	18%	0.176	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-20.7	-177.3	-178.9	0	0	0	0	112.3	A157 E159 N167 W215	A157-V161 WeakPolarHBondContact O-CG2 2.99Å; E159-V161 PolarHBondContact O-N 2.88Å; V161-N167 PolarHBondContact O-ND2 3.09Å; V161-W215 HydrophobicContact CG2-CB 4.19Å
162	N	91	Very high	87.9	Confident	100 Å²	100	65.7 Å²	65.7	54%	0.535	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.3	178.3	-71	-48.2	0	0	0	113.7	H158 E159 L160	H158-N162 PolarHBondContact CE1-ND2 2.89Å; H158-N162 PolarHBondContact ND1-ND2 3.47Å; H158-N162 PolarHBondContact NE2-ND2 3.48Å; H158-N162 VanDerWaalsContact NE2-ND2 3.11Å; H158-N162 PolarHBondContact O-N 2.95Å; H158-N162 PolarHBondContact O-ND2 2.88Å; E159-N162 PolarHBondContact O-N 3.01Å; L160-N162 PolarHBondContact O-N 3.07Å
163	L	93.4	Very high	86.7	Confident	27 Å²	27	71.5 Å²	71.5	14%	0.141	35%	0.35	C	S	.	.	S	Bend	trans	-63.6	137.9	173.4	-65.9	171.7	0	0	0	109.7	Y100 P138 L140 E159 L160 F165 W166	Y100-L163 HydrophobicContact CD1-CB 4.48Å; Y100-L163 HydrophobicContact CD1-CD2 3.91Å; Y100-L163 HydrophobicContact CD2-CD1 4.19Å; Y100-L163 HydrophobicContact CE1-CB 3.93Å; Y100-L163 HydrophobicContact CE1-CD2 4.21Å; Y100-L163 HydrophobicContact CE1-CG 4.46Å; Y100-L163 HydrophobicContact CE2-CD1 4.06Å; Y100-L163 HydrophobicContact CG-CD1 4.44Å; Y100-L163 HydrophobicContact CG-CD2 4.18Å; P138-L163 HydrophobicContact CB-CD1 3.77Å; P138-L163 HydrophobicContact CG-CD1 3.79Å; L140-L163 HydrophobicContact CD1-CD1 4.28Å; E159-L163 PolarHBondContact O-N 2.99Å; L160-L163 HydrophobicContact CD1-CD1 4Å; L160-L163 WeakPolarHBondContact O-CG 3.35Å; L160-L163 PolarHBondContact O-N 2.9Å; L163-F165 PolarHBondContact O-N 2.66Å; L163-W166 HydrophobicContact CB-CB 4.09Å; L163-W166 WeakPolarHBondContact O-CB 3.26Å; L163-W166 PolarHBondContact O-N 3.06Å
164	P	92.7	Very high	85.2	Confident	72 Å²	72	75 Å²	75	47%	0.468	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.6	-173.4	-31.3	33.7	0	0	0	115.9
165	F	94.4	Very high	83.5	Confident	42 Å²	42	74.8 Å²	74.8	18%	0.184	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	8.8	-177.2	-38.3	-63.3	0	0	0	113.8	Y98 Y100 P130 F136 L163 N167 S168 P170 H194	Y98-F165 HydrophobicContact CE1-CE2 4.34Å; Y100-F165 AromaticContact CE1-CD2 3.85Å; Y100-F165 HydrophobicContact CE1-CD2 3.85Å; Y100-F165 HydrophobicContact CE1-CE2 4.4Å; Y100-F165 AromaticContact CZ-CD2 3.9Å; Y100-F165 WeakPolarHBondContact OH-CA 3.21Å; Y100-F165 WeakPolarHBondContact OH-CB 3.48Å; Y100-F165 WeakPolarHBondContact OH-CD2 3.44Å; Y100-F165 PolarHBondContact OH-N 2.91Å; P130-F165 HydrophobicContact CB-CD2 4.19Å; P130-F165 HydrophobicContact CB-CE2 3.56Å; P130-F165 HydrophobicContact CB-CZ 3.9Å; P130-F165 HydrophobicContact CG-CE2 3.87Å; P130-F165 HydrophobicContact CG-CZ 3.8Å; F136-F165 HydrophobicContact CD1-CD2 4.18Å; F136-F165 HydrophobicContact CE1-CB 4.31Å; F136-F165 AromaticContact CE1-CD2 3.77Å; F136-F165 HydrophobicContact CE1-CD2 3.77Å; F136-F165 HydrophobicContact CE1-CE2 4.5Å; F136-F165 HydrophobicContact CE1-CG 4.26Å; L163-F165 PolarHBondContact O-N 2.66Å; F165-N167 PolarHBondContact O-N 3.23Å; F165-S168 CarbonylContact C-O 3.57Å; F165-S168 VanDerWaalsContact CA-O 3.24Å; F165-S168 WeakPolarHBondContact CA-O 3.35Å; F165-S168 CarbonylContact O-C 3.59Å; F165-P170 HydrophobicContact CD1-CG 3.73Å; F165-P170 HydrophobicContact CD2-CG 4.44Å; F165-P170 HydrophobicContact CE1-CG 3.94Å; F165-P170 HydrophobicContact CG-CG 4Å; F165-P170 HydrophobicContact CZ-CG 4.39Å; F165-H194 PolarHBondContact O-CE1 3.16Å; F165-H194 VanDerWaalsContact O-CE1 3.22Å
166	W	94.8	Very high	81.8	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.011	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-45.9	-179.8	-177.5	-102.5	0	0	0	112	L160 L163 A190 G191 H194 I196 W215 L216 A219	L160-W166 HydrophobicContact CD1-CE3 3.86Å; L160-W166 HydrophobicContact CD1-CH2 4.04Å; L160-W166 HydrophobicContact CD1-CZ3 3.59Å; L160-W166 HydrophobicContact CD2-CH2 3.89Å; L160-W166 HydrophobicContact CD2-CZ2 4.1Å; L160-W166 HydrophobicContact CD2-CZ3 4.3Å; L160-W166 HydrophobicContact CG-CD2 4.28Å; L160-W166 HydrophobicContact CG-CE3 4.1Å; L160-W166 HydrophobicContact CG-CH2 3.95Å; L160-W166 HydrophobicContact CG-CZ2 4.14Å; L160-W166 HydrophobicContact CG-CZ3 3.93Å; L163-W166 HydrophobicContact CB-CB 4.09Å; L163-W166 WeakPolarHBondContact O-CB 3.26Å; L163-W166 PolarHBondContact O-N 3.06Å; W166-A190 CarbonylContact O-C 3.5Å; W166-A190 VanDerWaalsContact O-CA 3.25Å; W166-A190 WeakPolarHBondContact O-CA 3.37Å; W166-G191 PolarHBondContact O-N 3.06Å; W166-H194 HydrophobicContact CE3-CB 4.36Å; W166-H194 AromaticContact CE3-CD2 3.5Å; W166-H194 AromaticContact CE3-CG 3.82Å; W166-H194 AromaticContact CE3-NE2 3.88Å; W166-H194 HydrophobicContact CZ3-CB 3.76Å; W166-H194 AromaticContact CZ3-CD2 3.7Å; W166-H194 AromaticContact CZ3-CG 3.74Å; W166-I196 HydrophobicContact CH2-CD1 4.43Å; W166-I196 HydrophobicContact CZ3-CD1 4.16Å; W166-W215 WeakPolarHBondContact CZ2-O 3.31Å; W166-L216 WeakPolarHBondContact CZ2-O 3.39Å; W166-A219 HydrophobicContact CH2-CB 3.87Å; W166-A219 HydrophobicContact CZ3-CB 4.45Å
167	N	91.6	Very high	79.9	Confident	47 Å²	47	80.5 Å²	80.5	25%	0.251	41%	0.414	S	S	.	.	S	Bend	trans	-86.4	-20.5	-176	-70.8	-54	0	0	0	113.7	V161 F165 S187	V161-N167 PolarHBondContact O-ND2 3.09Å; F165-N167 PolarHBondContact O-N 3.23Å; N167-S187 VanDerWaalsContact O-CB 3.22Å; N167-S187 WeakPolarHBondContact O-CB 3.34Å; N167-S187 PolarHBondContact O-OG 2.86Å; N167-S187 PolarHBondContact OD1-N 3.31Å
168	S	89.4	Confident	77.9	Confident	57 Å²	57	82.6 Å²	82.6	40%	0.399	43%	0.427	S	S	.	.	S	Bend	trans	-155.3	129.5	-178.1	54.6	0	0	0	0	110.8	F165	F165-S168 CarbonylContact C-O 3.57Å; F165-S168 VanDerWaalsContact CA-O 3.24Å; F165-S168 WeakPolarHBondContact CA-O 3.35Å; F165-S168 CarbonylContact O-C 3.59Å
169	L	89.5	Confident	76.1	Confident	27 Å²	27	81.4 Å²	81.4	14%	0.141	42%	0.424	C	S	.	.			trans	-68.2	152.6	173.2	-63.9	177	0	0	0	111.4	D87 P90 F136 R192 N193	D87-L169 HydrophobicContact CB-CD1 4.05Å; P90-L169 HydrophobicContact CG-CD1 4.3Å; F136-L169 HydrophobicContact CD2-CD2 3.89Å; F136-L169 HydrophobicContact CE2-CD2 3.7Å; F136-L169 HydrophobicContact CZ-CD2 4.44Å; L169-R192 HydrophobicContact CD1-CG 4.25Å; L169-N193 HydrophobicContact CD1-CB 4.14Å; L169-N193 HydrophobicContact CD2-CB 4.13Å
170	P	84.5	Confident	74	Confident	32 Å²	32	84.3 Å²	84.3	21%	0.208	45%	0.448	C	S	.	.			trans	-57.2	139.6	172.2	-19.2	30.7	0	0	0	111.4	P130 N131 F136 F165	P130-P170 HydrophobicContact CB-CG 4.07Å; N131-P170 VanDerWaalsContact OD1-CB 3.3Å; N131-P170 WeakPolarHBondContact OD1-CB 2.98Å; F136-P170 HydrophobicContact CE1-CG 4.36Å; F136-P170 HydrophobicContact CZ-CG 3.95Å; F165-P170 HydrophobicContact CD1-CG 3.73Å; F165-P170 HydrophobicContact CD2-CG 4.44Å; F165-P170 HydrophobicContact CE1-CG 3.94Å; F165-P170 HydrophobicContact CG-CG 4Å; F165-P170 HydrophobicContact CZ-CG 4.39Å
171	R	72.3	Confident	71.8	Confident	178 Å²	178	90.5 Å²	90.5	67%	0.672	49%	0.486	S	S	*	.			trans	-125.4	132.2	174.3	-72.3	-178.2	176.4	178.7	1.2	108.9	D173 L174	R171-D173 PolarHBondContact O-N 3.4Å; R171-L174 HydrophobicContact CB-CD1 4.07Å; R171-L174 HydrophobicContact CG-CD1 4.45Å
172	R	62.6	Low	69.4	Low	198 Å²	198	94.7 Å²	94.7	75%	0.747	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.8	177.7	-67.1	-174.8	-162.5	166.4	5.1	113.2
173	D	61.6	Low	67.4	Low	160 Å²	160	95.5 Å²	95.5	86%	0.856	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.6	-170.3	-54.5	-33.2	0	0	0	114.1	R171	R171-D173 PolarHBondContact O-N 3.4Å
174	L	54.2	Low	65.3	Low	95 Å²	95	104.2 Å²	104.2	50%	0.497	56%	0.561	S	S	.	*	S	Bend	trans	-120.3	122.5	179.9	-81.6	147.4	0	0	0	109.6	R171 T176	R171-L174 HydrophobicContact CB-CD1 4.07Å; R171-L174 HydrophobicContact CG-CD1 4.45Å; L174-T176 PolarHBondContact O-N 3.45Å
175	D	48	Very low	63.5	Low	140 Å²	140	109 Å²	109	75%	0.749	57%	0.574	S	S	*	*			trans	-51.7	134.6	172.5	-78.7	-34.4	0	0	0	110.3	D177 S178	D175-D177 PolarHBondContact O-N 2.92Å; D175-S178 PolarHBondContact O-N 2.96Å; D175-S178 VanDerWaalsContact O-N 3.11Å; D175-S178 PolarHBondContact O-OG 3.17Å
176	T	52.5	Low	62	Low	135 Å²	135	110.4 Å²	110.4	83%	0.828	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-59	-18.2	-174.6	1.8	0	0	0	0	113.1	L174 S178	L174-T176 PolarHBondContact O-N 3.45Å; T176-S178 VanDerWaalsContact C-N 3.33Å; T176-S178 PolarHBondContact O-N 2.8Å
177	D	50.2	Low	61.2	Low	163 Å²	163	112.3 Å²	112.3	87%	0.872	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-77.2	-10.7	180	-73.8	-17.8	0	0	0	114.3	D175 L179	D175-D177 PolarHBondContact O-N 2.92Å; D177-L179 PolarHBondContact O-N 2.98Å
178	S	49.6	Very low	60.8	Low	71 Å²	71	116.4 Å²	116.4	50%	0.497	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-91.7	15.1	-179.5	82.9	0	0	0	0	114.8	D175 T176 S180	D175-S178 PolarHBondContact O-N 2.96Å; D175-S178 VanDerWaalsContact O-N 3.11Å; D175-S178 PolarHBondContact O-OG 3.17Å; T176-S178 VanDerWaalsContact C-N 3.33Å; T176-S178 PolarHBondContact O-N 2.8Å; S178-S180 PolarHBondContact O-N 3.11Å
179	L	52.2	Low	60.7	Low	102 Å²	102	119 Å²	119	53%	0.534	62%	0.621	S	S	.	*			trans	-73.6	71.4	172.6	-161.1	76.4	0	0	0	109.8	D177 T181	D177-L179 PolarHBondContact O-N 2.98Å; L179-T181 PolarHBondContact O-N 3.32Å; L179-T181 VanDerWaalsContact O-N 3.1Å
180	S	44.7	Very low	60.9	Low	93 Å²	93	118 Å²	118	65%	0.65	62%	0.616	S	S	*	*			trans	-63.2	114.1	-179.3	76.4	0	0	0	0	110.3	S178 T182	S178-S180 PolarHBondContact O-N 3.11Å; S180-T182 VanDerWaalsContact C-N 3.28Å; S180-T182 PolarHBondContact O-N 3.45Å; S180-T182 VanDerWaalsContact O-N 3.07Å
181	T	46.2	Very low	61.3	Low	129 Å²	129	116.5 Å²	116.5	79%	0.791	61%	0.606	S	S	*	*			trans	-80.3	57.9	179.4	50.5	0	0	0	0	111.7	L179	L179-T181 PolarHBondContact O-N 3.32Å; L179-T181 VanDerWaalsContact O-N 3.1Å
182	T	42.5	Very low	62.5	Low	118 Å²	118	110.2 Å²	110.2	72%	0.724	58%	0.583	S	S	*	*			trans	-151.4	40.3	-177.1	44.8	0	0	0	0	116.6	S180	S180-T182 VanDerWaalsContact C-N 3.28Å; S180-T182 PolarHBondContact O-N 3.45Å; S180-T182 VanDerWaalsContact O-N 3.07Å
183	T	48.1	Very low	64.1	Low	117 Å²	117	100.9 Å²	100.9	72%	0.718	55%	0.547	S	S	*	.			trans	-124.5	104	159	50.1	0	0	0	0	110.5	K185	T183-K185 PolarHBondContact O-N 3.17Å; T183-K185 VanDerWaalsContact O-N 3.16Å
184	Q	50.4	Low	65.8	Low	209 Å²	209	93.2 Å²	93.2	98%	0.977	51%	0.507	S	S	*	.			trans	-67	-6.2	172.3	-73.7	-179.5	-10.5	0	0	113.1
185	K	54.9	Low	67.9	Low	174 Å²	174	88.7 Å²	88.7	76%	0.757	48%	0.483	S	S	*	.	S	Bend	trans	-90	126.4	176.6	-161.9	174	-176.2	-179.7	0	108.8	T183 S187	T183-K185 PolarHBondContact O-N 3.17Å; T183-K185 VanDerWaalsContact O-N 3.16Å; K185-S187 PolarHBondContact O-N 3.19Å
186	P	62.3	Low	70.3	Confident	71 Å²	71	82.2 Å²	82.2	46%	0.461	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-52.8	130.3	174.4	-22.8	31.4	0	0	0	110.2
187	S	78.2	Confident	72.5	Confident	43 Å²	43	76 Å²	76	30%	0.301	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-56.9	148.9	173.8	172.2	0	0	0	0	110.1	N167 K185 Y189 A190	N167-S187 VanDerWaalsContact O-CB 3.22Å; N167-S187 WeakPolarHBondContact O-CB 3.34Å; N167-S187 PolarHBondContact O-OG 2.86Å; N167-S187 PolarHBondContact OD1-N 3.31Å; K185-S187 PolarHBondContact O-N 3.19Å; S187-Y189 PolarHBondContact O-N 3.46Å; S187-Y189 PolarHBondContact OG-N 2.97Å; S187-A190 VanDerWaalsContact O-CB 3.23Å; S187-A190 WeakPolarHBondContact O-CB 3.42Å; S187-A190 PolarHBondContact O-N 3.43Å; S187-A190 VanDerWaalsContact O-N 3.09Å
188	E	82.8	Confident	74.7	Confident	132 Å²	132	68.4 Å²	68.4	62%	0.617	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30	171.5	-177.3	174.7	-179.8	0	0	111.9	Q218	E188-Q218 PolarHBondContact O-NE2 2.84Å
189	Y	87.8	Confident	76.9	Confident	113 Å²	113	65.2 Å²	65.2	44%	0.443	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	9.7	-179.5	-52.8	-60.2	0	0	0	113.8	S187 G191 R192	S187-Y189 PolarHBondContact O-N 3.46Å; S187-Y189 PolarHBondContact OG-N 2.97Å; Y189-G191 PolarHBondContact O-N 3.41Å; Y189-R192 VanDerWaalsContact CD1-NH2 3.33Å; Y189-R192 WeakPolarHBondContact O-CB 3.32Å; Y189-R192 PolarHBondContact O-N 3.22Å; Y189-R192 VanDerWaalsContact O-N 3.11Å
190	A	92.8	Very high	78.9	Confident	5 Å²	5	61.7 Å²	61.7	4%	0.041	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.7	-179.3	0	0	0	0	0	111.6	W166 S187 R192 G217 Q218	W166-A190 CarbonylContact O-C 3.5Å; W166-A190 VanDerWaalsContact O-CA 3.25Å; W166-A190 WeakPolarHBondContact O-CA 3.37Å; S187-A190 VanDerWaalsContact O-CB 3.23Å; S187-A190 WeakPolarHBondContact O-CB 3.42Å; S187-A190 PolarHBondContact O-N 3.43Å; S187-A190 VanDerWaalsContact O-N 3.09Å; A190-R192 VanDerWaalsContact C-N 3.25Å; A190-R192 PolarHBondContact O-N 3.49Å; A190-G217 CarbonylContact O-C 3.48Å; A190-G217 WeakPolarHBondContact O-CA 3.24Å; A190-Q218 PolarHBondContact O-N 3.18Å
191	G	94.7	Very high	81.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-0.2	-179.6	0	0	0	0	0	115.2	W166 Y189 N193 H194 Q218 A219	W166-G191 PolarHBondContact O-N 3.06Å; Y189-G191 PolarHBondContact O-N 3.41Å; G191-N193 PolarHBondContact O-N 3.38Å; G191-H194 VanDerWaalsContact O-CB 3.29Å; G191-H194 WeakPolarHBondContact O-CB 3.28Å; G191-H194 PolarHBondContact O-N 3.05Å; G191-Q218 CarbonylContact O-C 3.59Å; G191-A219 WeakPolarHBondContact O-CA 3.34Å; G191-A219 WeakPolarHBondContact O-CB 3.31Å; G191-A219 PolarHBondContact O-N 3.13Å
192	R	95.6	Very high	83.3	Confident	47 Å²	47	51.3 Å²	51.3	18%	0.177	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.3	176.7	179.1	171.9	-75.7	-156.9	-8.6	110.7	N84 D87 L169 Y189 A190 H194 Q218	N84-R192 PolarHBondContact O-NH2 3.32Å; D87-R192 HydrophobicContact CB-CG 4.38Å; L169-R192 HydrophobicContact CD1-CG 4.25Å; Y189-R192 VanDerWaalsContact CD1-NH2 3.33Å; Y189-R192 WeakPolarHBondContact O-CB 3.32Å; Y189-R192 PolarHBondContact O-N 3.22Å; Y189-R192 VanDerWaalsContact O-N 3.11Å; A190-R192 VanDerWaalsContact C-N 3.25Å; A190-R192 PolarHBondContact O-N 3.49Å; R192-H194 PolarHBondContact O-N 3Å; R192-H194 PolarHBondContact O-ND1 2.72Å; R192-Q218 HydrophobicContact CB-CB 4.29Å; R192-Q218 VanDerWaalsContact CZ-OE1 3.26Å
193	N	97.2	Very high	85.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	9.8	-174.1	-63.9	36.5	0	0	0	115.8	F86 D87 C134 I135 F136 L169 G191	F86-N193 HydrophobicContact CE2-CB 4.26Å; D87-N193 PolarHBondContact N-OD1 3.13Å; D87-N193 PolarHBondContact O-ND2 2.54Å; C134-N193 WeakPolarHBondContact O-CB 3.41Å; C134-N193 PolarHBondContact O-ND2 3.27Å; I135-N193 WeakPolarHBondContact CA-O 3.36Å; F136-N193 PolarHBondContact N-O 3.37Å; L169-N193 HydrophobicContact CD1-CB 4.14Å; L169-N193 HydrophobicContact CD2-CB 4.13Å; G191-N193 PolarHBondContact O-N 3.38Å
194	H	98	Very high	87.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-89	141.9	174	-68	61.5	0	0	0	111.1	Y100 F136 F165 W166 G191 R192 A219 M220	Y100-H194 AromaticContact CE2-NE2 3.75Å; Y100-H194 AromaticContact CZ-NE2 3.94Å; Y100-H194 PolarHBondContact OH-NE2 3.49Å; F136-H194 CarbonylContact O-C 3.58Å; F136-H194 VanDerWaalsContact O-CA 3.25Å; F136-H194 WeakPolarHBondContact O-CA 3.42Å; F165-H194 PolarHBondContact O-CE1 3.16Å; F165-H194 VanDerWaalsContact O-CE1 3.22Å; W166-H194 HydrophobicContact CE3-CB 4.36Å; W166-H194 AromaticContact CE3-CD2 3.5Å; W166-H194 AromaticContact CE3-CG 3.82Å; W166-H194 AromaticContact CE3-NE2 3.88Å; W166-H194 HydrophobicContact CZ3-CB 3.76Å; W166-H194 AromaticContact CZ3-CD2 3.7Å; W166-H194 AromaticContact CZ3-CG 3.74Å; G191-H194 VanDerWaalsContact O-CB 3.29Å; G191-H194 WeakPolarHBondContact O-CB 3.28Å; G191-H194 PolarHBondContact O-N 3.05Å; R192-H194 PolarHBondContact O-N 3Å; R192-H194 PolarHBondContact O-ND1 2.72Å; H194-A219 HydrophobicContact CB-CB 4.1Å; H194-A219 WeakPolarHBondContact O-CA 3.44Å; H194-M220 PolarHBondContact O-N 2.99Å
195	L	98.4	Very high	88.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.4	174	179	69.1	0	0	0	109.9	I135 F136 I137 F197 M220 A222 T436 L437 I440	I135-L195 HydrophobicContact CG2-CB 3.98Å; F136-L195 PolarHBondContact O-N 2.89Å; I137-L195 HydrophobicContact CD1-CD2 4.26Å; I137-L195 HydrophobicContact CG1-CB 4.19Å; L195-F197 HydrophobicContact CD2-CE2 3.81Å; L195-F197 HydrophobicContact CD2-CZ 3.89Å; L195-F197 HydrophobicContact CG-CE2 4.15Å; L195-M220 HydrophobicContact CD1-CB 3.93Å; L195-A222 HydrophobicContact CD1-CB 3.98Å; L195-T436 HydrophobicContact CD2-CG2 3.95Å; L195-L437 HydrophobicContact CD2-CD2 4.23Å; L195-I440 HydrophobicContact CD1-CD1 3.93Å; L195-I440 HydrophobicContact CD2-CD1 3.72Å; L195-I440 HydrophobicContact CG-CD1 4.32Å
196	I	97.7	Very high	89.9	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.8	-178.6	-53.5	-60.7	0	0	0	110	P138 T142 L160 W166 L216 A219 M220 L221 A222	P138-I196 HydrophobicContact CG-CD1 3.57Å; T142-I196 HydrophobicContact CG2-CG2 4.11Å; T142-I196 WeakPolarHBondContact OG1-CG2 3.33Å; L160-I196 HydrophobicContact CD1-CD1 4.04Å; W166-I196 HydrophobicContact CH2-CD1 4.43Å; W166-I196 HydrophobicContact CZ3-CD1 4.16Å; I196-L216 HydrophobicContact CB-CD2 4.4Å; I196-L216 HydrophobicContact CG1-CD2 4.08Å; I196-L216 HydrophobicContact CG2-CD2 4.23Å; I196-A219 HydrophobicContact CG1-CB 4.03Å; I196-M220 PolarHBondContact N-O 3.04Å; I196-L221 HydrophobicContact CB-CD2 3.92Å; I196-L221 HydrophobicContact CG2-CD2 4.23Å; I196-A222 PolarHBondContact O-N 2.77Å
197	F	97.7	Very high	91.1	Very high	5 Å²	5	34 Å²	34	2%	0.022	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.4	174.9	-70.9	-95.2	0	0	0	110.9	I116 I137 T142 L143 L195 A222 L239 V433 T436	I116-F197 HydrophobicContact CD1-CB 4.48Å; I116-F197 HydrophobicContact CD1-CD1 4.3Å; I116-F197 HydrophobicContact CD1-CG 4.43Å; I116-F197 HydrophobicContact CG2-CD2 4.38Å; I116-F197 HydrophobicContact CG2-CE2 4.38Å; I137-F197 HydrophobicContact CD1-CE2 4.31Å; I137-F197 HydrophobicContact CG2-CE2 4.41Å; T142-F197 CarbonylContact C-O 3.53Å; T142-F197 PolarHBondContact OG1-O 3.39Å; L143-F197 HydrophobicContact CD2-CB 3.61Å; L195-F197 HydrophobicContact CD2-CE2 3.81Å; L195-F197 HydrophobicContact CD2-CZ 3.89Å; L195-F197 HydrophobicContact CG-CE2 4.15Å; F197-A222 CarbonylContact C-O 3.47Å; F197-A222 WeakPolarHBondContact CA-O 3.48Å; F197-A222 HydrophobicContact CD1-CB 3.87Å; F197-A222 HydrophobicContact CE1-CB 3.91Å; F197-A222 HydrophobicContact CG-CB 4.39Å; F197-A222 HydrophobicContact CZ-CB 4.47Å; F197-L239 HydrophobicContact CD1-CD1 3.79Å; F197-L239 HydrophobicContact CE1-CD1 4.27Å; F197-V433 HydrophobicContact CE1-CG2 4.48Å; F197-T436 HydrophobicContact CE1-CG2 4.27Å; F197-T436 HydrophobicContact CZ-CG2 4.21Å
198	N	96.5	Very high	91.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132.6	175.8	-177.6	-103	0	0	0	112.2	T142 L143 A201 A222 K223 A224	T142-N198 PolarHBondContact O-ND2 3.23Å; L143-N198 PolarHBondContact O-ND2 2.81Å; N198-A201 PolarHBondContact OD1-N 3.04Å; N198-A222 PolarHBondContact N-O 3.39Å; N198-K223 HydrophobicContact CB-CB 4.27Å; N198-K223 CarbonylContact O-C 3.58Å; N198-K223 WeakPolarHBondContact O-CA 3.3Å; N198-A224 PolarHBondContact O-N 3.42Å
199	L	95.9	Very high	91.7	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	15%	0.145	C	C	.	.	S	Bend	trans	-111.9	-28.1	177.6	-63	-179.9	0	0	0	112.7	T112 L143 A224 L241 I242	T112-L199 HydrophobicContact CG2-CD1 3.98Å; L143-L199 HydrophobicContact CB-CG 4.45Å; L143-L199 HydrophobicContact CD1-CD1 4.1Å; L143-L199 HydrophobicContact CD2-CD1 4.47Å; L143-L199 HydrophobicContact CD2-CG 4.2Å; L143-L199 PolarHBondContact O-N 2.87Å; L199-A224 HydrophobicContact CD2-CB 3.79Å; L199-L241 HydrophobicContact CB-CD1 4.35Å; L199-L241 VanDerWaalsContact O-CD1 3.26Å; L199-L241 WeakPolarHBondContact O-CD1 3.33Å; L199-I242 HydrophobicContact CD1-CB 4.1Å; L199-I242 HydrophobicContact CD2-CD1 4.36Å; L199-I242 HydrophobicContact CD2-CG1 4.4Å
200	H	94.1	Very high	91.6	Very high	27 Å²	27	32.7 Å²	32.7	13%	0.125	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-132.5	90.2	-173.3	-54.5	-39.8	0	0	0	111	L143 D144 R145 Y355	L143-H200 PolarHBondContact O-N 3.24Å; D144-H200 HydrophobicContact CB-CB 4.4Å; D144-H200 WeakPolarHBondContact OD1-CB 3.46Å; D144-H200 IonicContact OD2-CD2 3.88Å; R145-H200 PolarHBondContact N-O 3.35Å; H200-Y355 PolarHBondContact CE1-OH 3.07Å; H200-Y355 PolarHBondContact NE2-OH 3.28Å
201	A	92.1	Very high	91.5	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.033	16%	0.155	C	C	.	.			trans	-92.6	146.1	172	0	0	0	0	0	111.8	N198 Y212 R351	N198-A201 PolarHBondContact OD1-N 3.04Å; A201-Y212 HydrophobicContact CB-CD1 3.97Å; A201-Y212 HydrophobicContact CB-CE1 3.78Å; A201-R351 PolarHBondContact O-NE 3.47Å; A201-R351 PolarHBondContact O-NH2 2.91Å
202	G	90.8	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	75	155.8	178.1	0	0	0	0	0	115.2	Y208 E211 R351	G202-Y208 VanDerWaalsContact CA-O 3.31Å; G202-Y208 WeakPolarHBondContact CA-O 3.46Å; G202-E211 WeakPolarHBondContact CA-OE2 3.48Å; G202-E211 PolarHBondContact N-O 2.93Å; G202-R351 PolarHBondContact O-NH2 2.95Å
203	T	89.5	Confident	90.7	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.098	16%	0.163	C	C	.	.			trans	-118.6	153.4	-175.6	-54.2	0	0	0	0	111.6	D146 L148 Y206 Y207 E211 R213	D146-T203 WeakPolarHBondContact OD1-CG2 3.24Å; L148-T203 HydrophobicContact CD1-CG2 4.19Å; L148-T203 HydrophobicContact CG-CG2 4.08Å; T203-Y206 PolarHBondContact O-N 2.79Å; T203-Y207 PolarHBondContact O-N 2.63Å; T203-E211 PolarHBondContact N-OE2 2.86Å; T203-R213 PolarHBondContact OG1-NH1 3.4Å; T203-R213 PolarHBondContact OG1-NH2 2.98Å
204	W	83	Confident	90.4	Very high	103 Å²	103	37.7 Å²	37.7	39%	0.39	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	142.4	170.6	175.7	-99.4	0	0	0	111.3	L148 Y207 G284	L148-W204 HydrophobicContact CD1-CB 3.95Å; W204-Y207 HydrophobicContact CB-CE1 4.35Å; W204-Y207 WeakPolarHBondContact CB-OH 3.49Å; W204-Y207 AromaticContact CE3-CE2 3.7Å; W204-Y207 HydrophobicContact CE3-CE2 3.7Å; W204-Y207 AromaticContact CE3-CZ 3.89Å; W204-Y207 VanDerWaalsContact CE3-OH 3.31Å; W204-Y207 HydrophobicContact CZ3-CE2 4.38Å; W204-G284 VanDerWaalsContact CH2-CA 3.44Å
205	P	79.8	Confident	89.9	Confident	50 Å²	50	44.3 Å²	44.3	33%	0.325	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	-6.8	3.5	34.9	-34.9	0	0	0	116	I285	P205-I285 WeakPolarHBondContact O-CD1 3.35Å
206	Y	83.8	Confident	89.6	Confident	146 Å²	146	45.3 Å²	45.3	57%	0.573	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-30.9	-165.6	-58.5	-67.2	0	0	0	114.4	T203 Y208 I285	T203-Y206 PolarHBondContact O-N 2.79Å; Y206-Y208 VanDerWaalsContact C-N 3.34Å; Y206-Y208 AromaticContact CD2-CE2 3.92Å; Y206-Y208 HydrophobicContact CD2-CE2 3.92Å; Y206-Y208 AromaticContact CG-CE2 3.91Å; Y206-Y208 HydrophobicContact CG-CE2 3.91Å; Y206-Y208 AromaticContact CG-CZ 3.88Å; Y206-Y208 PolarHBondContact O-N 3.25Å; Y206-I285 WeakPolarHBondContact O-CD1 3.45Å
207	Y	86.6	Confident	89.3	Confident	12 Å²	12	47.6 Å²	47.6	5%	0.047	22%	0.222	C	C	.	.			trans	48.8	50.1	-175.5	-55.1	-72.5	0	0	0	113.9	T203 W204 E209 R350 R351	T203-Y207 PolarHBondContact O-N 2.63Å; W204-Y207 HydrophobicContact CB-CE1 4.35Å; W204-Y207 WeakPolarHBondContact CB-OH 3.49Å; W204-Y207 AromaticContact CE3-CE2 3.7Å; W204-Y207 HydrophobicContact CE3-CE2 3.7Å; W204-Y207 AromaticContact CE3-CZ 3.89Å; W204-Y207 VanDerWaalsContact CE3-OH 3.31Å; W204-Y207 HydrophobicContact CZ3-CE2 4.38Å; Y207-E209 PolarHBondContact O-N 3.18Å; Y207-R350 HydrophobicContact CD2-CB 4.46Å; Y207-R350 WeakPolarHBondContact CD2-O 3.41Å; Y207-R350 HydrophobicContact CE2-CB 3.96Å; Y207-R350 HydrophobicContact CE2-CG 4.47Å; Y207-R350 PolarHBondContact OH-NE 3.5Å; Y207-R350 PolarHBondContact OH-NH2 2.99Å; Y207-R351 HydrophobicContact CD1-CG 4.37Å; Y207-R351 HydrophobicContact CG-CG 4.31Å
208	Y	88.5	Confident	89.2	Confident	129 Å²	129	48.4 Å²	48.4	51%	0.506	23%	0.226	S	C	.	.			trans	-51.8	128.9	175.2	-64.3	-66.7	0	0	0	110.8	G202 Y206 D210 E211	G202-Y208 VanDerWaalsContact CA-O 3.31Å; G202-Y208 WeakPolarHBondContact CA-O 3.46Å; Y206-Y208 VanDerWaalsContact C-N 3.34Å; Y206-Y208 AromaticContact CD2-CE2 3.92Å; Y206-Y208 HydrophobicContact CD2-CE2 3.92Å; Y206-Y208 AromaticContact CG-CE2 3.91Å; Y206-Y208 HydrophobicContact CG-CE2 3.91Å; Y206-Y208 AromaticContact CG-CZ 3.88Å; Y206-Y208 PolarHBondContact O-N 3.25Å; Y208-D210 VanDerWaalsContact C-N 3.25Å; Y208-D210 PolarHBondContact O-N 3.08Å; Y208-E211 PolarHBondContact O-N 2.79Å
209	E	85.7	Confident	89.2	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.201	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.3	-166.3	-63.1	173.3	-177.4	0	0	113.1	Y207 Y212 K223 S227 H230 L352	Y207-E209 PolarHBondContact O-N 3.18Å; E209-Y212 PolarHBondContact O-OH 3.28Å; E209-K223 WeakPolarHBondContact O-CE 3.42Å; E209-K223 PolarHBondContact O-NZ 2.94Å; E209-S227 WeakPolarHBondContact OE2-CB 3.42Å; E209-S227 PolarHBondContact OE2-OG 3.42Å; E209-H230 IonicContact OE2-CD2 2.81Å; E209-H230 PolarHBondContact OE2-CD2 3.03Å; E209-H230 VanDerWaalsContact OE2-CD2 3.26Å; E209-L352 WeakPolarHBondContact OE1-CD1 3.33Å
210	D	85.6	Confident	89.3	Confident	88 Å²	88	48.1 Å²	48.1	47%	0.471	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.3	178.6	63.1	-24.6	0	0	0	113.6	Y208 Y212	Y208-D210 VanDerWaalsContact C-N 3.25Å; Y208-D210 PolarHBondContact O-N 3.08Å; D210-Y212 HydrophobicContact CB-CE2 4.34Å; D210-Y212 WeakPolarHBondContact O-CD2 3.39Å; D210-Y212 WeakPolarHBondContact O-CE2 3.26Å; D210-Y212 PolarHBondContact O-N 3.03Å
211	E	89.2	Confident	89.4	Confident	47 Å²	47	47.1 Å²	47.1	22%	0.22	22%	0.22	C	C	.	.			trans	-81	83.1	177.2	-177.5	-173.7	-159.9	0	0	110.9	G202 T203 Y208 R213	G202-E211 WeakPolarHBondContact CA-OE2 3.48Å; G202-E211 PolarHBondContact N-O 2.93Å; T203-E211 PolarHBondContact N-OE2 2.86Å; Y208-E211 PolarHBondContact O-N 2.79Å; E211-R213 HydrophobicContact CG-CG 4.2Å; E211-R213 IonicContact OE1-CZ 3.29Å; E211-R213 IonicContact OE1-NE 2.6Å; E211-R213 PolarHBondContact OE1-NE 3Å; E211-R213 IonicContact OE1-NH1 3.04Å; E211-R213 IonicContact OE1-NH2 2.83Å; E211-R213 PolarHBondContact OE1-NH2 2.94Å
212	Y	86.2	Confident	89.7	Confident	28 Å²	28	47 Å²	47	11%	0.11	22%	0.219	C	C	.	.			trans	-93.1	-26.4	175.5	-49.9	-61.2	0	0	0	113.4	R145 A201 E209 D210 L214 L216 L221 K223	R145-Y212 VanDerWaalsContact CB-O 3.31Å; R145-Y212 WeakPolarHBondContact CB-O 3.13Å; R145-Y212 VanDerWaalsContact CG-O 3.32Å; R145-Y212 WeakPolarHBondContact CG-O 3.42Å; R145-Y212 PolarHBondContact NE-O 3.35Å; R145-Y212 VanDerWaalsContact NE-O 3.08Å; A201-Y212 HydrophobicContact CB-CD1 3.97Å; A201-Y212 HydrophobicContact CB-CE1 3.78Å; E209-Y212 PolarHBondContact O-OH 3.28Å; D210-Y212 HydrophobicContact CB-CE2 4.34Å; D210-Y212 WeakPolarHBondContact O-CD2 3.39Å; D210-Y212 WeakPolarHBondContact O-CE2 3.26Å; D210-Y212 PolarHBondContact O-N 3.03Å; Y212-L214 PolarHBondContact O-N 3.3Å; Y212-L216 HydrophobicContact CD2-CD1 3.6Å; Y212-L216 HydrophobicContact CE2-CD1 3.99Å; Y212-L216 HydrophobicContact CG-CD1 4.09Å; Y212-L221 HydrophobicContact CE1-CD1 4.36Å; Y212-L221 HydrophobicContact CE2-CD1 4.02Å; Y212-K223 HydrophobicContact CE1-CD 3.62Å
213	R	87.8	Confident	90	Very high	61 Å²	61	47 Å²	47	23%	0.23	22%	0.219	C	C	.	.			trans	51.7	42.2	-170.1	-54	179.4	177.4	127.3	-9.2	111.8	R145 R147 T203 E211	R145-R213 PolarHBondContact NH2-O 2.67Å; R145-R213 PolarHBondContact O-NH1 3.04Å; R147-R213 VanDerWaalsContact NE-NE 3.17Å; T203-R213 PolarHBondContact OG1-NH1 3.4Å; T203-R213 PolarHBondContact OG1-NH2 2.98Å; E211-R213 HydrophobicContact CG-CG 4.2Å; E211-R213 IonicContact OE1-CZ 3.29Å; E211-R213 IonicContact OE1-NE 2.6Å; E211-R213 PolarHBondContact OE1-NE 3Å; E211-R213 IonicContact OE1-NH1 3.04Å; E211-R213 IonicContact OE1-NH2 2.83Å; E211-R213 PolarHBondContact OE1-NH2 2.94Å
214	L	90.5	Very high	90.3	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.11	22%	0.215	C	C	.	.	S	Bend	trans	-138.3	142.2	176.7	-64.6	174.4	0	0	0	107.7	T142 R145 I156 A157 L160 Y212 L216	T142-L214 HydrophobicContact CG2-CD1 3.73Å; R145-L214 HydrophobicContact CG-CD1 4.39Å; I156-L214 HydrophobicContact CG2-CD2 4.01Å; A157-L214 HydrophobicContact CB-CD2 3.95Å; L160-L214 HydrophobicContact CD2-CB 4.4Å; L160-L214 HydrophobicContact CD2-CD2 4.28Å; Y212-L214 PolarHBondContact O-N 3.3Å; L214-L216 HydrophobicContact CB-CD2 4.02Å; L214-L216 HydrophobicContact CB-CG 4.29Å; L214-L216 HydrophobicContact CD1-CD2 4.31Å; L214-L216 PolarHBondContact O-N 3.45Å
215	W	88.1	Confident	90.9	Very high	139 Å²	139	41.8 Å²	41.8	53%	0.527	20%	0.198	S	C	.	.			trans	-86.2	92.7	168.9	-65.8	100.3	0	0	0	108.5	F70 V161 W166	F70-W215 AromaticContact CD1-CH2 3.51Å; F70-W215 HydrophobicContact CD1-CH2 3.51Å; F70-W215 AromaticContact CD1-CZ2 3.71Å; F70-W215 HydrophobicContact CD1-CZ2 3.71Å; F70-W215 AromaticContact CE1-CH2 3.44Å; F70-W215 HydrophobicContact CE1-CH2 3.44Å; F70-W215 VanDerWaalsContact CE1-CH2 3.44Å; F70-W215 AromaticContact CE1-CZ2 3.15Å; F70-W215 HydrophobicContact CE1-CZ2 3.15Å; F70-W215 HydrophobicContact CG-CH2 4.49Å; F70-W215 HydrophobicContact CZ-CH2 4.31Å; F70-W215 AromaticContact CZ-CZ2 3.63Å; F70-W215 HydrophobicContact CZ-CZ2 3.63Å; V161-W215 HydrophobicContact CG2-CB 4.19Å; W166-W215 WeakPolarHBondContact CZ2-O 3.31Å
216	L	92.3	Very high	91.6	Very high	21 Å²	21	39.4 Å²	39.4	11%	0.11	18%	0.183	C	C	.	.			trans	-78.3	-21.4	-174.9	-62.3	170.8	0	0	0	113.3	W166 I196 Y212 L214 Q218 A219 L221	W166-L216 WeakPolarHBondContact CZ2-O 3.39Å; I196-L216 HydrophobicContact CB-CD2 4.4Å; I196-L216 HydrophobicContact CG1-CD2 4.08Å; I196-L216 HydrophobicContact CG2-CD2 4.23Å; Y212-L216 HydrophobicContact CD2-CD1 3.6Å; Y212-L216 HydrophobicContact CE2-CD1 3.99Å; Y212-L216 HydrophobicContact CG-CD1 4.09Å; L214-L216 HydrophobicContact CB-CD2 4.02Å; L214-L216 HydrophobicContact CB-CG 4.29Å; L214-L216 HydrophobicContact CD1-CD2 4.31Å; L214-L216 PolarHBondContact O-N 3.45Å; L216-Q218 PolarHBondContact O-N 3.37Å; L216-A219 WeakPolarHBondContact O-CB 3.22Å; L216-A219 PolarHBondContact O-N 2.93Å; L216-L221 HydrophobicContact CD1-CD1 3.68Å; L216-L221 HydrophobicContact CD1-CD2 3.54Å; L216-L221 HydrophobicContact CD1-CG 3.92Å; L216-L221 HydrophobicContact CD2-CD2 3.93Å; L216-L221 HydrophobicContact CG-CD2 4.34Å
217	G	91.8	Very high	92.1	Very high	51 Å²	51	32.5 Å²	32.5	53%	0.526	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-123	-175.6	0	0	0	0	0	111.5	A190	A190-G217 CarbonylContact O-C 3.48Å; A190-G217 WeakPolarHBondContact O-CA 3.24Å
218	Q	94.8	Very high	92.4	Very high	23 Å²	23	35.4 Å²	35.4	11%	0.107	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.3	178.3	-59.4	-168.8	0.1	0	0	113.3	C85 E188 A190 G191 R192 L216 F235	C85-Q218 HydrophobicContact CB-CB 3.93Å; C85-Q218 HydrophobicContact CB-CG 4.18Å; E188-Q218 PolarHBondContact O-NE2 2.84Å; A190-Q218 PolarHBondContact O-N 3.18Å; G191-Q218 CarbonylContact O-C 3.59Å; R192-Q218 HydrophobicContact CB-CB 4.29Å; R192-Q218 VanDerWaalsContact CZ-OE1 3.26Å; L216-Q218 PolarHBondContact O-N 3.37Å; Q218-F235 WeakPolarHBondContact O-CZ 3.05Å
219	A	96.5	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.			trans	-69.2	144.6	179.5	0	0	0	0	0	112.7	W166 G191 H194 I196 L216 R232	W166-A219 HydrophobicContact CH2-CB 3.87Å; W166-A219 HydrophobicContact CZ3-CB 4.45Å; G191-A219 WeakPolarHBondContact O-CA 3.34Å; G191-A219 WeakPolarHBondContact O-CB 3.31Å; G191-A219 PolarHBondContact O-N 3.13Å; H194-A219 HydrophobicContact CB-CB 4.1Å; H194-A219 WeakPolarHBondContact O-CA 3.44Å; I196-A219 HydrophobicContact CG1-CB 4.03Å; L216-A219 WeakPolarHBondContact O-CB 3.22Å; L216-A219 PolarHBondContact O-N 2.93Å; A219-R232 PolarHBondContact O-NH1 2.83Å; A219-R232 PolarHBondContact O-NH2 3.04Å
220	M	97.6	Very high	92.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.9	167.9	-66.2	178.4	-71.9	0	0	109.8	M82 F86 I135 H194 L195 I196 F235 I440	M82-M220 HydrophobicContact SD-SD 4.13Å; F86-M220 HydrophobicContact CD2-CE 4.03Å; F86-M220 HydrophobicContact CD2-SD 4.28Å; F86-M220 HydrophobicContact CE2-CE 3.76Å; F86-M220 HydrophobicContact CE2-SD 4.42Å; I135-M220 HydrophobicContact CD1-CE 3.61Å; H194-M220 PolarHBondContact O-N 2.99Å; L195-M220 HydrophobicContact CD1-CB 3.93Å; I196-M220 PolarHBondContact N-O 3.04Å; M220-F235 HydrophobicContact CB-CE1 4.35Å; M220-F235 HydrophobicContact CG-CD1 4.11Å; M220-F235 HydrophobicContact CG-CD2 4.27Å; M220-F235 HydrophobicContact CG-CE1 3.74Å; M220-F235 HydrophobicContact CG-CE2 3.93Å; M220-F235 HydrophobicContact CG-CG 4.38Å; M220-F235 HydrophobicContact CG-CZ 3.66Å; M220-F235 WeakPolarHBondContact CG-O 3.22Å; M220-I440 HydrophobicContact CE-CD1 4.2Å; M220-I440 HydrophobicContact CE-CG2 4.31Å; M220-I440 HydrophobicContact SD-CD1 4.47Å
221	L	97.3	Very high	93.1	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.9	175.4	-71.1	178.7	0	0	0	110.5	I196 Y212 L216 K223 F226 D236 I237	I196-L221 HydrophobicContact CB-CD2 3.92Å; I196-L221 HydrophobicContact CG2-CD2 4.23Å; Y212-L221 HydrophobicContact CE1-CD1 4.36Å; Y212-L221 HydrophobicContact CE2-CD1 4.02Å; L216-L221 HydrophobicContact CD1-CD1 3.68Å; L216-L221 HydrophobicContact CD1-CD2 3.54Å; L216-L221 HydrophobicContact CD1-CG 3.92Å; L216-L221 HydrophobicContact CD2-CD2 3.93Å; L216-L221 HydrophobicContact CG-CD2 4.34Å; L221-K223 HydrophobicContact CB-CB 4.44Å; L221-F226 HydrophobicContact CB-CZ 3.96Å; L221-F226 HydrophobicContact CD1-CZ 4.46Å; L221-D236 WeakPolarHBondContact CB-OD1 3.35Å; L221-D236 PolarHBondContact N-OD1 3.3Å; L221-D236 WeakPolarHBondContact O-CA 3.47Å; L221-D236 WeakPolarHBondContact O-CB 3.5Å; L221-I237 PolarHBondContact O-N 3.39Å
222	A	98.2	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	98.8	160.2	0	0	0	0	0	107.7	L195 I196 F197 N198 I237 L239 T436	L195-A222 HydrophobicContact CD1-CB 3.98Å; I196-A222 PolarHBondContact O-N 2.77Å; F197-A222 CarbonylContact C-O 3.47Å; F197-A222 WeakPolarHBondContact CA-O 3.48Å; F197-A222 HydrophobicContact CD1-CB 3.87Å; F197-A222 HydrophobicContact CE1-CB 3.91Å; F197-A222 HydrophobicContact CG-CB 4.39Å; F197-A222 HydrophobicContact CZ-CB 4.47Å; N198-A222 PolarHBondContact N-O 3.39Å; A222-I237 CarbonylContact C-O 3.54Å; A222-I237 VanDerWaalsContact CA-O 3.29Å; A222-I237 WeakPolarHBondContact CA-O 3.46Å; A222-I237 HydrophobicContact CB-CB 4.35Å; A222-L239 VanDerWaalsContact C-CD1 3.44Å; A222-L239 HydrophobicContact CB-CD1 3.76Å; A222-L239 HydrophobicContact CB-CD2 4.24Å; A222-L239 HydrophobicContact CB-CG 4.01Å; A222-L239 VanDerWaalsContact O-CD1 3.25Å; A222-L239 WeakPolarHBondContact O-CD1 3.33Å; A222-T436 HydrophobicContact CB-CG2 3.9Å
223	K	96.6	Very high	93.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140	-167.7	158.7	176.6	-177.6	-87.8	0	114.2	N198 E209 Y212 L221 S225 F226 I237 L239	N198-K223 HydrophobicContact CB-CB 4.27Å; N198-K223 CarbonylContact O-C 3.58Å; N198-K223 WeakPolarHBondContact O-CA 3.3Å; E209-K223 WeakPolarHBondContact O-CE 3.42Å; E209-K223 PolarHBondContact O-NZ 2.94Å; Y212-K223 HydrophobicContact CE1-CD 3.62Å; L221-K223 HydrophobicContact CB-CB 4.44Å; K223-S225 PolarHBondContact NZ-O 2.87Å; K223-S225 VanDerWaalsContact NZ-O 3.09Å; K223-F226 HydrophobicContact CB-CD2 3.95Å; K223-F226 HydrophobicContact CB-CE2 3.42Å; K223-F226 VanDerWaalsContact CB-CE2 3.42Å; K223-F226 HydrophobicContact CB-CZ 3.78Å; K223-F226 HydrophobicContact CD-CD1 4.48Å; K223-F226 HydrophobicContact CD-CE1 4.19Å; K223-F226 HydrophobicContact CD-CE2 4.4Å; K223-F226 HydrophobicContact CD-CZ 4.15Å; K223-F226 HydrophobicContact CG-CD2 4.06Å; K223-F226 HydrophobicContact CG-CE2 3.96Å; K223-F226 HydrophobicContact CG-CG 4.47Å; K223-F226 HydrophobicContact CG-CZ 4.2Å; K223-F226 WeakPolarHBondContact O-CD2 3.49Å; K223-I237 PolarHBondContact N-O 2.81Å; K223-L239 PolarHBondContact O-N 3.17Å
224	A	96.9	Very high	94.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	153.7	169.3	0	0	0	0	0	112.2	N198 L199 L239 P240 L241	N198-A224 PolarHBondContact O-N 3.42Å; L199-A224 HydrophobicContact CD2-CB 3.79Å; A224-L239 WeakPolarHBondContact CA-O 3.45Å; A224-L239 HydrophobicContact CB-CB 4.46Å; A224-P240 WeakPolarHBondContact CB-O 3.29Å; A224-L241 HydrophobicContact CB-CB 4.36Å; A224-L241 HydrophobicContact CB-CD1 3.82Å
225	S	94.6	Very high	94.5	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.049	21%	0.211	C	C	.	.	S	Bend	trans	58.6	46.5	179.8	-48.3	0	0	0	0	112.8	K223 G353	K223-S225 PolarHBondContact NZ-O 2.87Å; K223-S225 VanDerWaalsContact NZ-O 3.09Å; S225-G353 VanDerWaalsContact OG-CA 3.29Å; S225-G353 WeakPolarHBondContact OG-CA 3.36Å; S225-G353 PolarHBondContact OG-N 2.69Å
226	F	95	Very high	94.9	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.6	167.7	-95.6	-67	0	0	0	111.1	L221 K223 F231 D236 I237 E375	L221-F226 HydrophobicContact CB-CZ 3.96Å; L221-F226 HydrophobicContact CD1-CZ 4.46Å; K223-F226 HydrophobicContact CB-CD2 3.95Å; K223-F226 HydrophobicContact CB-CE2 3.42Å; K223-F226 VanDerWaalsContact CB-CE2 3.42Å; K223-F226 HydrophobicContact CB-CZ 3.78Å; K223-F226 HydrophobicContact CD-CD1 4.48Å; K223-F226 HydrophobicContact CD-CE1 4.19Å; K223-F226 HydrophobicContact CD-CE2 4.4Å; K223-F226 HydrophobicContact CD-CZ 4.15Å; K223-F226 HydrophobicContact CG-CD2 4.06Å; K223-F226 HydrophobicContact CG-CE2 3.96Å; K223-F226 HydrophobicContact CG-CG 4.47Å; K223-F226 HydrophobicContact CG-CZ 4.2Å; K223-F226 WeakPolarHBondContact O-CD2 3.49Å; F226-F231 HydrophobicContact CB-CB 4.34Å; F226-F231 HydrophobicContact CB-CD2 4.27Å; F226-F231 HydrophobicContact CD1-CB 3.92Å; F226-F231 AromaticContact CD1-CD2 3.93Å; F226-F231 HydrophobicContact CD1-CD2 3.93Å; F226-F231 HydrophobicContact CD1-CG 4.43Å; F226-F231 AromaticContact CD2-CD2 3.84Å; F226-F231 HydrophobicContact CD2-CD2 3.84Å; F226-F231 HydrophobicContact CD2-CE2 4.34Å; F226-F231 HydrophobicContact CE1-CD2 4.15Å; F226-F231 HydrophobicContact CE2-CD2 4.02Å; F226-F231 HydrophobicContact CE2-CE2 4.39Å; F226-F231 HydrophobicContact CG-CB 4.26Å; F226-F231 AromaticContact CG-CD2 3.77Å; F226-F231 HydrophobicContact CG-CD2 3.77Å; F226-F231 HydrophobicContact CG-CG 4.45Å; F226-F231 HydrophobicContact CZ-CD2 4.18Å; F226-D236 HydrophobicContact CE1-CB 4.46Å; F226-D236 HydrophobicContact CE2-CB 4.06Å; F226-D236 HydrophobicContact CZ-CB 3.69Å; F226-I237 WeakPolarHBondContact CE2-O 3.31Å; F226-E375 HydrophobicContact CB-CB 3.73Å; F226-E375 PolarHBondContact O-N 3.05Å
227	S	93.7	Very high	95.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	144	163.8	175.8	0	0	0	0	109.6	E209 K229 H230 F231 D373	E209-S227 WeakPolarHBondContact OE2-CB 3.42Å; E209-S227 PolarHBondContact OE2-OG 3.42Å; S227-K229 PolarHBondContact O-N 3.25Å; S227-K229 PolarHBondContact OG-N 3.16Å; S227-H230 PolarHBondContact O-N 3.38Å; S227-H230 VanDerWaalsContact O-N 3.08Å; S227-F231 VanDerWaalsContact O-CB 3.24Å; S227-F231 WeakPolarHBondContact O-CB 3.26Å; S227-F231 PolarHBondContact O-N 3.47Å; S227-D373 CarbonylContact C-O 3.54Å; S227-D373 VanDerWaalsContact CA-O 3.24Å; S227-D373 WeakPolarHBondContact CA-O 3.45Å
228	T	92.6	Very high	95.5	Very high	72 Å²	72	32.2 Å²	32.2	44%	0.442	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.3	169.7	55.6	0	0	0	0	112.8	D373 E375	T228-D373 WeakPolarHBondContact CG2-O 3.28Å; T228-D373 PolarHBondContact N-O 3.06Å; T228-E375 WeakPolarHBondContact CG2-OE2 3.47Å
229	K	91	Very high	95.7	Very high	152 Å²	152	31.3 Å²	31.3	66%	0.661	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-32.4	178.4	-63.2	174.7	-173.6	149.4	0	114.2	S227 D373	S227-K229 PolarHBondContact O-N 3.25Å; S227-K229 PolarHBondContact OG-N 3.16Å; K229-D373 WeakPolarHBondContact CE-OD2 3.47Å; K229-D373 IonicContact NZ-OD2 3.96Å; K229-D373 PolarHBondContact NZ-OD2 3.25Å
230	H	91.1	Very high	95.7	Very high	90 Å²	90	31.4 Å²	31.4	42%	0.417	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-14	-175.5	-70.9	-80.7	0	0	0	113.4	E209 S227	E209-H230 IonicContact OE2-CD2 2.81Å; E209-H230 PolarHBondContact OE2-CD2 3.03Å; E209-H230 VanDerWaalsContact OE2-CD2 3.26Å; S227-H230 PolarHBondContact O-N 3.38Å; S227-H230 VanDerWaalsContact O-N 3.08Å
231	F	94.2	Very high	95.6	Very high	24 Å²	24	32.1 Å²	32.1	11%	0.105	16%	0.158	C	C	.	.			trans	-66.4	129.1	177.7	179.1	-116	0	0	0	111	F226 S227 P233 D236 E375	F226-F231 HydrophobicContact CB-CB 4.34Å; F226-F231 HydrophobicContact CB-CD2 4.27Å; F226-F231 HydrophobicContact CD1-CB 3.92Å; F226-F231 AromaticContact CD1-CD2 3.93Å; F226-F231 HydrophobicContact CD1-CD2 3.93Å; F226-F231 HydrophobicContact CD1-CG 4.43Å; F226-F231 AromaticContact CD2-CD2 3.84Å; F226-F231 HydrophobicContact CD2-CD2 3.84Å; F226-F231 HydrophobicContact CD2-CE2 4.34Å; F226-F231 HydrophobicContact CE1-CD2 4.15Å; F226-F231 HydrophobicContact CE2-CD2 4.02Å; F226-F231 HydrophobicContact CE2-CE2 4.39Å; F226-F231 HydrophobicContact CG-CB 4.26Å; F226-F231 AromaticContact CG-CD2 3.77Å; F226-F231 HydrophobicContact CG-CD2 3.77Å; F226-F231 HydrophobicContact CG-CG 4.45Å; F226-F231 HydrophobicContact CZ-CD2 4.18Å; S227-F231 VanDerWaalsContact O-CB 3.24Å; S227-F231 WeakPolarHBondContact O-CB 3.26Å; S227-F231 PolarHBondContact O-N 3.47Å; F231-P233 HydrophobicContact CD1-CG 4.34Å; F231-P233 HydrophobicContact CE1-CB 4.36Å; F231-P233 VanDerWaalsContact O-CD 3.26Å; F231-P233 WeakPolarHBondContact O-CD 3.33Å; F231-D236 HydrophobicContact CD2-CB 3.9Å; F231-D236 HydrophobicContact CE2-CB 3.75Å; F231-E375 HydrophobicContact CD1-CG 3.86Å; F231-E375 HydrophobicContact CD2-CG 4.26Å; F231-E375 HydrophobicContact CE1-CG 4Å; F231-E375 HydrophobicContact CE2-CG 4.39Å; F231-E375 HydrophobicContact CG-CG 3.99Å; F231-E375 HydrophobicContact CZ-CG 4.27Å
232	R	95.1	Very high	95.6	Very high	47 Å²	47	32 Å²	32	18%	0.177	16%	0.158	C	C	.	.			trans	-90.7	102.7	173.9	-62.1	176.4	-71.7	-177.8	3.8	109.5	A219 K234 F235 D236	A219-R232 PolarHBondContact O-NH1 2.83Å; A219-R232 PolarHBondContact O-NH2 3.04Å; R232-K234 PolarHBondContact O-N 3.14Å; R232-F235 HydrophobicContact CB-CB 4.02Å; R232-F235 HydrophobicContact CB-CD1 4.32Å; R232-F235 VanDerWaalsContact CZ-CD1 3.46Å; R232-F235 PolarHBondContact O-N 3.01Å; R232-D236 HydrophobicContact CB-CB 4.37Å; R232-D236 WeakPolarHBondContact CB-OD2 3.44Å; R232-D236 WeakPolarHBondContact CG-OD2 3.38Å; R232-D236 IonicContact CZ-OD1 3.26Å; R232-D236 IonicContact CZ-OD2 3.64Å; R232-D236 PolarHBondContact N-OD2 3.09Å; R232-D236 VanDerWaalsContact NE-CG 3.32Å; R232-D236 IonicContact NE-OD1 3.6Å; R232-D236 PolarHBondContact NE-OD1 2.74Å; R232-D236 IonicContact NE-OD2 3.37Å; R232-D236 PolarHBondContact NE-OD2 3.42Å; R232-D236 IonicContact NH2-OD1 3.05Å; R232-D236 PolarHBondContact NH2-OD1 3.01Å; R232-D236 IonicContact NH2-OD2 2.75Å; R232-D236 PolarHBondContact NH2-OD2 3.32Å; R232-D236 PolarHBondContact O-N 3.33Å
233	P	94.9	Very high	95.3	Very high	96 Å²	96	33.8 Å²	33.8	62%	0.623	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	139.5	-172.9	-21.1	34.7	0	0	0	111.6	F231 F235	F231-P233 HydrophobicContact CD1-CG 4.34Å; F231-P233 HydrophobicContact CE1-CB 4.36Å; F231-P233 VanDerWaalsContact O-CD 3.26Å; F231-P233 WeakPolarHBondContact O-CD 3.33Å; P233-F235 PolarHBondContact O-N 3.26Å; P233-F235 VanDerWaalsContact O-N 3.12Å
234	K	94.7	Very high	95	Very high	143 Å²	143	36.2 Å²	36.2	62%	0.622	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	14	-178.1	-51.6	-176.2	178.4	-177.5	0	114.9	M82 R232 R443	M82-K234 WeakPolarHBondContact CG-O 3.31Å; R232-K234 PolarHBondContact O-N 3.14Å; K234-R443 VanDerWaalsContact C-CZ 3.45Å; K234-R443 WeakPolarHBondContact O-CD 3.34Å; K234-R443 PolarHBondContact O-NE 2.93Å
235	F	97	Very high	94.7	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-53.5	176.2	-172.2	-96.4	0	0	0	110.8	C80 M82 C85 F86 Q218 M220 R232 P233 R443	C80-F235 HydrophobicContact CB-CD1 4.21Å; C80-F235 HydrophobicContact CB-CE1 3.86Å; C80-F235 HydrophobicContact CB-CE2 4.46Å; C80-F235 HydrophobicContact CB-CZ 3.98Å; M82-F235 HydrophobicContact CG-CD2 4.1Å; M82-F235 HydrophobicContact SD-CD2 3.7Å; M82-F235 HydrophobicContact SD-CE2 4.19Å; C85-F235 HydrophobicContact CB-CE2 3.85Å; C85-F235 HydrophobicContact CB-CZ 3.78Å; F86-F235 HydrophobicContact CB-CE2 4.44Å; Q218-F235 WeakPolarHBondContact O-CZ 3.05Å; M220-F235 HydrophobicContact CB-CE1 4.35Å; M220-F235 HydrophobicContact CG-CD1 4.11Å; M220-F235 HydrophobicContact CG-CD2 4.27Å; M220-F235 HydrophobicContact CG-CE1 3.74Å; M220-F235 HydrophobicContact CG-CE2 3.93Å; M220-F235 HydrophobicContact CG-CG 4.38Å; M220-F235 HydrophobicContact CG-CZ 3.66Å; M220-F235 WeakPolarHBondContact CG-O 3.22Å; R232-F235 HydrophobicContact CB-CB 4.02Å; R232-F235 HydrophobicContact CB-CD1 4.32Å; R232-F235 VanDerWaalsContact CZ-CD1 3.46Å; R232-F235 PolarHBondContact O-N 3.01Å; P233-F235 PolarHBondContact O-N 3.26Å; P233-F235 VanDerWaalsContact O-N 3.12Å; F235-R443 VanDerWaalsContact C-NH1 3.29Å; F235-R443 PolarHBondContact O-NH1 3.45Å
236	D	97.5	Very high	94.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	21%	0.212	C	C	.	.	S	Bend	trans	-82.8	167.6	170.4	-70.5	-28.8	0	0	0	111.8	L221 F226 F231 R232 R443	L221-D236 WeakPolarHBondContact CB-OD1 3.35Å; L221-D236 PolarHBondContact N-OD1 3.3Å; L221-D236 WeakPolarHBondContact O-CA 3.47Å; L221-D236 WeakPolarHBondContact O-CB 3.5Å; F226-D236 HydrophobicContact CE1-CB 4.46Å; F226-D236 HydrophobicContact CE2-CB 4.06Å; F226-D236 HydrophobicContact CZ-CB 3.69Å; F231-D236 HydrophobicContact CD2-CB 3.9Å; F231-D236 HydrophobicContact CE2-CB 3.75Å; R232-D236 HydrophobicContact CB-CB 4.37Å; R232-D236 WeakPolarHBondContact CB-OD2 3.44Å; R232-D236 WeakPolarHBondContact CG-OD2 3.38Å; R232-D236 IonicContact CZ-OD1 3.26Å; R232-D236 IonicContact CZ-OD2 3.64Å; R232-D236 PolarHBondContact N-OD2 3.09Å; R232-D236 VanDerWaalsContact NE-CG 3.32Å; R232-D236 IonicContact NE-OD1 3.6Å; R232-D236 PolarHBondContact NE-OD1 2.74Å; R232-D236 IonicContact NE-OD2 3.37Å; R232-D236 PolarHBondContact NE-OD2 3.42Å; R232-D236 IonicContact NH2-OD1 3.05Å; R232-D236 PolarHBondContact NH2-OD1 3.01Å; R232-D236 IonicContact NH2-OD2 2.75Å; R232-D236 PolarHBondContact NH2-OD2 3.32Å; R232-D236 PolarHBondContact O-N 3.33Å; D236-R443 PolarHBondContact O-NH2 3.24Å
237	I	98.3	Very high	94.4	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.6	179.1	-60	169.2	0	0	0	108.4	L221 A222 K223 F226 L239 F378 T436 I439 I440	L221-I237 PolarHBondContact O-N 3.39Å; A222-I237 CarbonylContact C-O 3.54Å; A222-I237 VanDerWaalsContact CA-O 3.29Å; A222-I237 WeakPolarHBondContact CA-O 3.46Å; A222-I237 HydrophobicContact CB-CB 4.35Å; K223-I237 PolarHBondContact N-O 2.81Å; F226-I237 WeakPolarHBondContact CE2-O 3.31Å; I237-L239 HydrophobicContact CG2-CD2 4.23Å; I237-F378 HydrophobicContact CG2-CD1 3.78Å; I237-F378 HydrophobicContact CG2-CE1 3.93Å; I237-T436 HydrophobicContact CB-CG2 4.43Å; I237-T436 HydrophobicContact CD1-CG2 3.47Å; I237-T436 VanDerWaalsContact CD1-CG2 3.47Å; I237-T436 HydrophobicContact CG2-CG2 4.18Å; I237-I439 HydrophobicContact CD1-CG2 4.45Å; I237-I440 HydrophobicContact CD1-CD1 3.75Å; I237-I440 HydrophobicContact CD1-CG1 3.51Å
238	S	98	Very high	94.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.8	172.4	-171	0	0	0	0	110.7	E375 L376 P377 F378	S238-E375 PolarHBondContact OG-O 2.9Å; S238-L376 VanDerWaalsContact CB-O 3.28Å; S238-L376 WeakPolarHBondContact CB-O 3.42Å; S238-L376 PolarHBondContact OG-O 3.37Å; S238-P377 CarbonylContact O-C 3.25Å; S238-P377 VanDerWaalsContact O-CA 3.26Å; S238-P377 WeakPolarHBondContact O-CA 3.47Å; S238-F378 PolarHBondContact O-N 3.28Å
239	L	98.3	Very high	93.7	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.9	178.5	-65	-174.4	0	0	0	111.3	F197 A222 K223 A224 I237 F378 I432	F197-L239 HydrophobicContact CD1-CD1 3.79Å; F197-L239 HydrophobicContact CE1-CD1 4.27Å; A222-L239 VanDerWaalsContact C-CD1 3.44Å; A222-L239 HydrophobicContact CB-CD1 3.76Å; A222-L239 HydrophobicContact CB-CD2 4.24Å; A222-L239 HydrophobicContact CB-CG 4.01Å; A222-L239 VanDerWaalsContact O-CD1 3.25Å; A222-L239 WeakPolarHBondContact O-CD1 3.33Å; K223-L239 PolarHBondContact O-N 3.17Å; A224-L239 WeakPolarHBondContact CA-O 3.45Å; A224-L239 HydrophobicContact CB-CB 4.46Å; I237-L239 HydrophobicContact CG2-CD2 4.23Å; L239-F378 HydrophobicContact CD2-CE1 3.76Å; L239-F378 HydrophobicContact CD2-CZ 4.11Å; L239-I432 HydrophobicContact CD2-CG2 4.05Å
240	P	97.3	Very high	92.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	19%	0.193	C	C	.	.			trans	-68.5	159.2	165.9	34.1	-36.9	0	0	0	110.4	A224 I242 L358 P377 L426 I432	A224-P240 WeakPolarHBondContact CB-O 3.29Å; P240-I242 HydrophobicContact CG-CG1 4.05Å; P240-I242 PolarHBondContact O-N 2.94Å; P240-L358 HydrophobicContact CB-CD1 3.92Å; P240-L358 HydrophobicContact CB-CD2 3.59Å; P240-L358 HydrophobicContact CB-CG 3.81Å; P240-L358 HydrophobicContact CG-CD1 4.24Å; P240-L358 HydrophobicContact CG-CD2 4.09Å; P240-P377 HydrophobicContact CB-CB 4.39Å; P240-P377 HydrophobicContact CB-CG 3.79Å; P240-L426 HydrophobicContact CB-CD2 4.33Å; P240-L426 HydrophobicContact CG-CD2 3.85Å; P240-I432 HydrophobicContact CG-CD1 3.71Å; P240-I432 HydrophobicContact CG-CG1 4.28Å
241	L	96.6	Very high	91.3	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.084	19%	0.193	C	C	.	.			trans	-80.8	112.8	169.2	-166.6	67.9	0	0	0	109.4	L199 A224 Y355	L199-L241 HydrophobicContact CB-CD1 4.35Å; L199-L241 VanDerWaalsContact O-CD1 3.26Å; L199-L241 WeakPolarHBondContact O-CD1 3.33Å; A224-L241 HydrophobicContact CB-CB 4.36Å; A224-L241 HydrophobicContact CB-CD1 3.82Å; L241-Y355 HydrophobicContact CB-CD1 4.26Å; L241-Y355 HydrophobicContact CB-CE1 4.47Å; L241-Y355 HydrophobicContact CD1-CE1 4.41Å; L241-Y355 HydrophobicContact CD2-CD1 3.87Å; L241-Y355 HydrophobicContact CD2-CD2 4.01Å; L241-Y355 HydrophobicContact CD2-CE1 3.81Å; L241-Y355 HydrophobicContact CD2-CE2 3.95Å; L241-Y355 HydrophobicContact CD2-CG 3.98Å; L241-Y355 HydrophobicContact CG-CD1 3.71Å; L241-Y355 HydrophobicContact CG-CE1 3.52Å; L241-Y355 HydrophobicContact CG-CG 4.32Å; L241-Y355 WeakPolarHBondContact O-CD1 3.26Å
242	I	95.7	Very high	89.2	Confident	5 Å²	5	38 Å²	38	3%	0.026	21%	0.211	C	C	.	.			trans	-100.3	124	-170.6	-53.1	169	0	0	0	110.4	T112 L199 P240 H246 Y355 L358 I429 I432	T112-I242 HydrophobicContact CG2-CG2 4.17Å; L199-I242 HydrophobicContact CD1-CB 4.1Å; L199-I242 HydrophobicContact CD2-CD1 4.36Å; L199-I242 HydrophobicContact CD2-CG1 4.4Å; P240-I242 HydrophobicContact CG-CG1 4.05Å; P240-I242 PolarHBondContact O-N 2.94Å; I242-H246 HydrophobicContact CG2-CB 3.55Å; I242-Y355 WeakPolarHBondContact O-CE1 3.43Å; I242-L358 HydrophobicContact CG1-CD1 4.37Å; I242-I429 HydrophobicContact CG2-CD1 4.09Å; I242-I429 HydrophobicContact CG2-CG1 4.15Å; I242-I432 HydrophobicContact CD1-CD1 3.7Å; I242-I432 HydrophobicContact CD1-CG2 4.15Å; I242-I432 HydrophobicContact CG1-CD1 4.01Å
243	H	92.8	Very high	86.8	Confident	36 Å²	36	40 Å²	40	17%	0.167	23%	0.232	C	C	.	.			trans	-81.9	156.7	173.3	68	98.8	0	0	0	111.2	Q245 H246 Y355	H243-Q245 VanDerWaalsContact C-N 3.27Å; H243-Q245 PolarHBondContact ND1-N 3.33Å; H243-Q245 PolarHBondContact ND1-OE1 3.46Å; H243-Q245 PolarHBondContact O-N 3.48Å; H243-H246 PolarHBondContact CE1-N 2.92Å; H243-H246 PolarHBondContact ND1-N 3.12Å; H243-H246 AromaticContact NE2-ND1 3.87Å; H243-H246 WeakPolarHBondContact O-CB 3.32Å; H243-H246 PolarHBondContact O-N 3.39Å; H243-Y355 HydrophobicContact CB-CD1 3.8Å; H243-Y355 HydrophobicContact CB-CE1 3.98Å; H243-Y355 HydrophobicContact CB-CG 4.47Å
244	S	90.4	Very high	84.6	Confident	53 Å²	53	37 Å²	37	37%	0.371	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.8	-173.3	55.4	0	0	0	0	114.5	K115 H246	K115-S244 PolarHBondContact NZ-O 3.49Å; S244-H246 VanDerWaalsContact C-N 3.28Å; S244-H246 PolarHBondContact O-N 2.9Å
245	Q	90	Very high	82	Confident	142 Å²	142	33.3 Å²	33.3	66%	0.664	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-2	175.8	-52.5	85.4	-3.2	0	0	113.8	H243	H243-Q245 VanDerWaalsContact C-N 3.27Å; H243-Q245 PolarHBondContact ND1-N 3.33Å; H243-Q245 PolarHBondContact ND1-OE1 3.46Å; H243-Q245 PolarHBondContact O-N 3.48Å
246	H	92.3	Very high	79.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-60.6	132.3	176.7	-165.5	70.2	0	0	0	109.2	K115 I242 H243 S244 W422 L426 S428	K115-H246 PolarHBondContact NZ-O 3.01Å; I242-H246 HydrophobicContact CG2-CB 3.55Å; H243-H246 PolarHBondContact CE1-N 2.92Å; H243-H246 PolarHBondContact ND1-N 3.12Å; H243-H246 AromaticContact NE2-ND1 3.87Å; H243-H246 WeakPolarHBondContact O-CB 3.32Å; H243-H246 PolarHBondContact O-N 3.39Å; S244-H246 VanDerWaalsContact C-N 3.28Å; S244-H246 PolarHBondContact O-N 2.9Å; H246-W422 AromaticContact CE1-CH2 3.72Å; H246-L426 PolarHBondContact CE1-O 2.81Å; H246-L426 PolarHBondContact NE2-O 3.09Å; H246-S428 WeakPolarHBondContact NE2-CA 2.99Å; H246-S428 PolarHBondContact NE2-N 2.75Å
247	P	90.4	Very high	77	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.084	25%	0.248	C	C	.	.			trans	-68.4	150.3	-168.3	28.4	-35.9	0	0	0	111.5	S252 S427 S428 I429	P247-S252 WeakPolarHBondContact CB-OG 3.24Å; P247-S427 VanDerWaalsContact CG-O 3.28Å; P247-S427 WeakPolarHBondContact CG-O 3.48Å; P247-S428 WeakPolarHBondContact O-CA 3.15Å; P247-I429 PolarHBondContact O-N 3.46Å
248	L	89.9	Confident	74.4	Confident	43 Å²	43	44.1 Å²	44.1	23%	0.225	25%	0.252	C	S	.	.	S	Bend	trans	-66.8	-50.1	173.9	174	63.1	0	0	0	110.3	K115 T118 A119 S428 E430	K115-L248 HydrophobicContact CB-CD1 3.71Å; K115-L248 HydrophobicContact CD-CB 4.37Å; K115-L248 HydrophobicContact CG-CB 4.15Å; K115-L248 HydrophobicContact CG-CD1 4.11Å; K115-L248 WeakPolarHBondContact O-CD1 3.49Å; T118-L248 HydrophobicContact CG2-CD1 4.46Å; T118-L248 HydrophobicContact CG2-CD2 3.76Å; A119-L248 HydrophobicContact CB-CD1 4.43Å; L248-S428 WeakPolarHBondContact O-CB 3.19Å; L248-S428 PolarHBondContact O-OG 2.97Å; L248-E430 VanDerWaalsContact O-CB 3.23Å; L248-E430 WeakPolarHBondContact O-CB 3.33Å; L248-E430 PolarHBondContact O-N 3.4Å
249	Q	82.9	Confident	71.9	Confident	65 Å²	65	48.1 Å²	48.1	30%	0.304	28%	0.276	S	S	.	.	S	Bend	trans	-125.3	149.7	179	-57.1	-174.9	-41.9	0	0	109.8	S252 E430	Q249-S252 PolarHBondContact O-OG 3.26Å; Q249-E430 PolarHBondContact NE2-OE1 3.02Å
250	S	70.8	Confident	69.3	Low	14 Å²	14	51.1 Å²	51.1	10%	0.098	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	139	173.3	-68.7	0	0	0	0	111.5	S427 I737 K738 V739	S250-S427 PolarHBondContact OG-OG 3.29Å; S250-I737 VanDerWaalsContact O-CG2 3.31Å; S250-I737 WeakPolarHBondContact O-CG2 3.39Å; S250-K738 WeakPolarHBondContact CB-O 3.36Å; S250-V739 WeakPolarHBondContact CB-O 3.27Å; S250-V739 PolarHBondContact OG-O 3.4Å
251	G	60.2	Low	66.8	Low	40 Å²	40	51.1 Å²	51.1	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	15.6	176.2	0	0	0	0	0	117
252	S	49.3	Very low	64.5	Low	69 Å²	69	54.9 Å²	54.9	48%	0.483	32%	0.315	S	S	.	.	S	Bend	trans	-98.5	15	-173.2	50.4	0	0	0	0	116.4	P247 Q249	P247-S252 WeakPolarHBondContact CB-OG 3.24Å; Q249-S252 PolarHBondContact O-OG 3.26Å
253	S	46.2	Very low	62.1	Low	87 Å²	87	62.3 Å²	62.3	61%	0.608	35%	0.349	S	S	*	.	S	Bend	trans	167.8	-1	172.7	42.1	0	0	0	0	115.6	E762	S253-E762 VanDerWaalsContact C-OE1 3.22Å; S253-E762 WeakPolarHBondContact CA-OE1 3.03Å; S253-E762 PolarHBondContact N-OE1 3.07Å
254	Q	48.4	Very low	59.9	Low	35 Å²	35	62.4 Å²	62.4	16%	0.164	35%	0.35	C	S	.	.			trans	-102.5	2.8	-162.5	-65	-173.3	9.7	0	0	114.9	N256 Q257 L258 E762	Q254-N256 VanDerWaalsContact C-N 3.33Å; Q254-N256 PolarHBondContact O-N 3.48Å; Q254-Q257 PolarHBondContact O-N 3.27Å; Q254-Q257 VanDerWaalsContact O-N 3.08Å; Q254-L258 HydrophobicContact CB-CD1 4.04Å; Q254-L258 HydrophobicContact CB-CG 4.31Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 VanDerWaalsContact O-CG 3.31Å; Q254-L258 WeakPolarHBondContact O-CG 3.45Å; Q254-L258 PolarHBondContact O-N 3.34Å; Q254-E762 PolarHBondContact N-OE1 3.26Å
255	L	40.8	Very low	58.2	Low	64 Å²	64	61.6 Å²	61.6	34%	0.335	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-39.6	-175.5	-161.3	78.6	0	0	0	113.1	Q257 L258 V259	L255-Q257 PolarHBondContact O-N 2.89Å; L255-L258 CarbonylContact O-C 3.47Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-V259 HydrophobicContact CD1-CG2 4.15Å; L255-V259 HydrophobicContact CD2-CG2 4.22Å; L255-V259 HydrophobicContact CG-CG2 3.74Å; L255-V259 WeakPolarHBondContact O-CG2 3.32Å; L255-V259 PolarHBondContact O-N 2.97Å
256	N	42.1	Very low	56.9	Low	145 Å²	145	58 Å²	58	78%	0.775	34%	0.341	S	S	*	.	H	α-helix	trans	-62.7	-31.6	178.8	-72.7	-16.7	0	0	0	112.8	Q254 S260	Q254-N256 VanDerWaalsContact C-N 3.33Å; Q254-N256 PolarHBondContact O-N 3.48Å; N256-S260 PolarHBondContact O-OG 2.84Å
257	Q	46.7	Very low	55.9	Low	71 Å²	71	63.9 Å²	63.9	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-81.3	-30.3	172.3	-78.9	-178.5	-15.2	0	0	112.2	Q254 L255 S261 Y339	Q254-Q257 PolarHBondContact O-N 3.27Å; Q254-Q257 VanDerWaalsContact O-N 3.08Å; L255-Q257 PolarHBondContact O-N 2.89Å; Q257-S261 WeakPolarHBondContact O-CB 3.39Å; Q257-S261 PolarHBondContact O-N 2.95Å; Q257-S261 PolarHBondContact O-OG 2.76Å; Q257-Y339 WeakPolarHBondContact CB-OH 3.31Å
258	L	44	Very low	55.2	Low	19 Å²	19	67.5 Å²	67.5	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-77.6	-42.5	-179.5	-72	168.6	0	0	0	113.8	Q254 L255 S260 S261 E262	Q254-L258 HydrophobicContact CB-CD1 4.04Å; Q254-L258 HydrophobicContact CB-CG 4.31Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 VanDerWaalsContact O-CG 3.31Å; Q254-L258 WeakPolarHBondContact O-CG 3.45Å; Q254-L258 PolarHBondContact O-N 3.34Å; L255-L258 CarbonylContact O-C 3.47Å; L255-L258 PolarHBondContact O-N 3.1Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.3Å; L258-S261 VanDerWaalsContact CA-OG 3.22Å; L258-S261 WeakPolarHBondContact CA-OG 3.31Å; L258-S261 CarbonylContact O-C 3.57Å; L258-S261 WeakPolarHBondContact O-CA 3.5Å; L258-S261 PolarHBondContact O-N 3.18Å; L258-S261 PolarHBondContact O-OG 2.88Å; L258-E262 PolarHBondContact O-N 2.78Å
259	V	44.1	Very low	54.8	Low	85 Å²	85	72 Å²	72	52%	0.515	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-40.7	179	171.3	0	0	0	0	110.4	L255 S261	L255-V259 HydrophobicContact CD1-CG2 4.15Å; L255-V259 HydrophobicContact CD2-CG2 4.22Å; L255-V259 HydrophobicContact CG-CG2 3.74Å; L255-V259 WeakPolarHBondContact O-CG2 3.32Å; L255-V259 PolarHBondContact O-N 2.97Å; V259-S261 PolarHBondContact O-N 3.04Å
260	S	43.7	Very low	55.1	Low	69 Å²	69	69.3 Å²	69.3	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-35.2	171.8	-54.7	0	0	0	0	111.8	N256 L258 L264	N256-S260 PolarHBondContact O-OG 2.84Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.3Å; S260-L264 VanDerWaalsContact O-CD1 3.28Å; S260-L264 WeakPolarHBondContact O-CD1 3.5Å; S260-L264 WeakPolarHBondContact O-CG 3.13Å
261	S	44.8	Very low	56.2	Low	2 Å²	2	71.9 Å²	71.9	1%	0.014	41%	0.409	C	S	.	.	H	α-helix	trans	-86.7	-28	-179	51.9	0	0	0	0	114.4	Q257 L258 V259 L264 R265	Q257-S261 WeakPolarHBondContact O-CB 3.39Å; Q257-S261 PolarHBondContact O-N 2.95Å; Q257-S261 PolarHBondContact O-OG 2.76Å; L258-S261 VanDerWaalsContact CA-OG 3.22Å; L258-S261 WeakPolarHBondContact CA-OG 3.31Å; L258-S261 CarbonylContact O-C 3.57Å; L258-S261 WeakPolarHBondContact O-CA 3.5Å; L258-S261 PolarHBondContact O-N 3.18Å; L258-S261 PolarHBondContact O-OG 2.88Å; V259-S261 PolarHBondContact O-N 3.04Å; S261-L264 CarbonylContact O-C 3.51Å; S261-L264 PolarHBondContact O-N 2.93Å; S261-R265 VanDerWaalsContact CB-CZ 3.41Å; S261-R265 WeakPolarHBondContact O-CA 3.46Å; S261-R265 WeakPolarHBondContact O-CB 3.36Å; S261-R265 VanDerWaalsContact O-CD 3.32Å; S261-R265 WeakPolarHBondContact O-CD 3.41Å; S261-R265 WeakPolarHBondContact O-CG 3.35Å; S261-R265 PolarHBondContact O-N 3.22Å; S261-R265 PolarHBondContact OG-NH1 3.22Å; S261-R265 PolarHBondContact OG-NH2 3.27Å
262	E	48.6	Very low	57.8	Low	95 Å²	95	72.3 Å²	72.3	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-42.5	175.8	-77.8	-179.6	-177	0	0	112	L258 R265 K738	L258-E262 PolarHBondContact O-N 2.78Å; E262-R265 PolarHBondContact O-N 2.65Å; E262-K738 IonicContact OE1-NZ 3.07Å; E262-K738 PolarHBondContact OE1-NZ 3.45Å; E262-K738 VanDerWaalsContact OE1-NZ 3.16Å
263	H	45.7	Very low	60.1	Low	160 Å²	160	70.3 Å²	70.3	74%	0.741	38%	0.382	S	S	*	.	H	α-helix	trans	-67.5	-38	174.5	-165	75.7	0	0	0	112.4	R265	H263-R265 VanDerWaalsContact C-N 3.32Å
264	L	47.6	Very low	62.5	Low	38 Å²	38	66.1 Å²	66.1	20%	0.199	35%	0.353	C	S	.	.	H	α-helix	trans	-71.7	-23.8	173.9	-67.2	171.8	0	0	0	112.8	S260 S261 R267	S260-L264 VanDerWaalsContact O-CD1 3.28Å; S260-L264 WeakPolarHBondContact O-CD1 3.5Å; S260-L264 WeakPolarHBondContact O-CG 3.13Å; S261-L264 CarbonylContact O-C 3.51Å; S261-L264 PolarHBondContact O-N 2.93Å; L264-R267 WeakPolarHBondContact O-CB 3.08Å; L264-R267 PolarHBondContact O-N 3.05Å
265	R	54	Low	64.9	Low	36 Å²	36	64.5 Å²	64.5	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-72.9	-28.1	-178	-83.8	164.9	-171.2	137.2	-0.7	113.6	S261 E262 H263 R267 Q362 R415 M419	S261-R265 VanDerWaalsContact CB-CZ 3.41Å; S261-R265 WeakPolarHBondContact O-CA 3.46Å; S261-R265 WeakPolarHBondContact O-CB 3.36Å; S261-R265 VanDerWaalsContact O-CD 3.32Å; S261-R265 WeakPolarHBondContact O-CD 3.41Å; S261-R265 WeakPolarHBondContact O-CG 3.35Å; S261-R265 PolarHBondContact O-N 3.22Å; S261-R265 PolarHBondContact OG-NH1 3.22Å; S261-R265 PolarHBondContact OG-NH2 3.27Å; E262-R265 PolarHBondContact O-N 2.65Å; H263-R265 VanDerWaalsContact C-N 3.32Å; R265-R267 VanDerWaalsContact C-N 3.27Å; R265-R267 PolarHBondContact O-N 3.1Å; R265-Q362 PolarHBondContact NH2-O 3.24Å; R265-R415 PolarHBondContact O-NH1 3.08Å; R265-R415 PolarHBondContact O-NH2 2.82Å; R265-M419 PolarHBondContact NE-SD 2.98Å; R265-M419 VanDerWaalsContact NE-SD 3.42Å
266	G	61.8	Low	67.6	Low	68 Å²	68	61.5 Å²	61.5	70%	0.701	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.1	173.2	0	0	0	0	0	114	L268	G266-L268 PolarHBondContact O-N 3.49Å
267	R	71.6	Confident	70.1	Confident	124 Å²	124	55.6 Å²	55.6	47%	0.468	30%	0.297	S	S	.	.			trans	-76.3	116.3	179.1	-66.9	-178.6	62.2	170.6	-1	110.3	L264 R265 L270 R415	L264-R267 WeakPolarHBondContact O-CB 3.08Å; L264-R267 PolarHBondContact O-N 3.05Å; R265-R267 VanDerWaalsContact C-N 3.27Å; R265-R267 PolarHBondContact O-N 3.1Å; R267-L270 HydrophobicContact CB-CD2 4.04Å; R267-R415 PolarHBondContact O-NH1 2.87Å
268	L	75.2	Confident	72.3	Confident	88 Å²	88	52.7 Å²	52.7	46%	0.461	29%	0.287	S	S	.	.	S	Bend	trans	-71.2	-37.6	172.6	-89.5	157.8	0	0	0	112.5	G266 I412	G266-L268 PolarHBondContact O-N 3.49Å; L268-I412 HydrophobicContact CD1-CD1 4.3Å; L268-I412 HydrophobicContact CD2-CD1 3.75Å; L268-I412 HydrophobicContact CD2-CG1 3.54Å; L268-I412 HydrophobicContact CG-CD1 4.44Å; L268-I412 HydrophobicContact CG-CG1 4.41Å
269	D	81.9	Confident	74.5	Confident	137 Å²	137	56.3 Å²	56.3	73%	0.733	30%	0.301	S	S	*	.			trans	-101.8	97.6	-178.7	-162.6	23.9	0	0	0	109.8
270	L	90.3	Very high	76.5	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.052	28%	0.279	C	S	.	.			trans	-98.8	146.5	175.8	-66.4	176.6	0	0	0	109.5	R267 Y272 S341	R267-L270 HydrophobicContact CB-CD2 4.04Å; L270-Y272 VanDerWaalsContact C-N 3.26Å; L270-Y272 PolarHBondContact O-N 3.39Å; L270-S341 WeakPolarHBondContact CD1-O 3.27Å
271	P	92.5	Very high	78	Confident	67 Å²	67	50.6 Å²	50.6	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-66	-27.1	-172.1	27.9	-37.1	0	0	0	113.6	N340	P271-N340 WeakPolarHBondContact CD-O 3.28Å; P271-N340 HydrophobicContact CG-CB 3.74Å; P271-N340 WeakPolarHBondContact CG-O 3.19Å
272	Y	95.4	Very high	79.3	Confident	50 Å²	50	52 Å²	52	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.7	179.1	-51.9	-59.8	0	0	0	111	L270 D301 I303 L337 N340 S341 T342	L270-Y272 VanDerWaalsContact C-N 3.26Å; L270-Y272 PolarHBondContact O-N 3.39Å; Y272-D301 CarbonylContact C-O 3.42Å; Y272-D301 WeakPolarHBondContact CA-O 3.02Å; Y272-I303 HydrophobicContact CD1-CD1 4.23Å; Y272-I303 HydrophobicContact CD1-CG1 3.44Å; Y272-I303 VanDerWaalsContact CD1-CG1 3.44Å; Y272-I303 HydrophobicContact CE1-CD1 4.06Å; Y272-I303 HydrophobicContact CE1-CG1 3.58Å; Y272-I303 HydrophobicContact CG-CG1 4.17Å; Y272-L337 HydrophobicContact CD2-CD1 3.72Å; Y272-L337 HydrophobicContact CE2-CD1 3.76Å; Y272-L337 HydrophobicContact CG-CD1 4.25Å; Y272-N340 HydrophobicContact CD2-CB 3.87Å; Y272-N340 WeakPolarHBondContact CD2-O 3.37Å; Y272-N340 HydrophobicContact CE2-CB 4.04Å; Y272-N340 PolarHBondContact N-O 2.98Å; Y272-N340 VanDerWaalsContact N-O 3.17Å; Y272-S341 WeakPolarHBondContact O-CA 3.24Å; Y272-T342 PolarHBondContact O-N 3.13Å
273	L	96.5	Very high	80.3	Confident	26 Å²	26	49.4 Å²	49.4	14%	0.136	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-52.8	171.2	176.7	67.9	0	0	0	110.2	D301 I302 F343 L403 R404	L273-D301 HydrophobicContact CB-CB 4.25Å; L273-D301 PolarHBondContact N-O 3.33Å; L273-I302 HydrophobicContact CD2-CD1 4.39Å; L273-I302 HydrophobicContact CD2-CG1 4.47Å; L273-F343 HydrophobicContact CD1-CD2 3.83Å; L273-F343 HydrophobicContact CD1-CE2 3.9Å; L273-F343 HydrophobicContact CG-CD2 4.43Å; L273-F343 VanDerWaalsContact O-CB 3.3Å; L273-F343 WeakPolarHBondContact O-CB 3.49Å; L273-F343 VanDerWaalsContact O-CD2 3.31Å; L273-F343 WeakPolarHBondContact O-CD2 3.21Å; L273-F343 PolarHBondContact O-N 2.91Å; L273-L403 HydrophobicContact CD2-CB 4.45Å; L273-R404 HydrophobicContact CD2-CG 3.61Å
274	L	97.8	Very high	81.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.8	-175	178.6	66.7	0	0	0	110.7	D301 I302 I303 M304 F343 L345 V368 L399 L403	L274-D301 PolarHBondContact N-O 2.94Å; L274-I302 HydrophobicContact CB-CG1 4.39Å; L274-I302 HydrophobicContact CB-CG2 4.27Å; L274-I302 HydrophobicContact CD2-CG2 4.38Å; L274-I302 WeakPolarHBondContact O-CA 3.31Å; L274-I303 PolarHBondContact O-N 2.91Å; L274-M304 HydrophobicContact CB-CE 4.48Å; L274-M304 HydrophobicContact CD2-CE 3.3Å; L274-M304 HydrophobicContact CG-CE 3.54Å; L274-F343 VanDerWaalsContact CA-O 3.3Å; L274-F343 WeakPolarHBondContact CA-O 3.32Å; L274-F343 HydrophobicContact CD1-CB 3.8Å; L274-L345 HydrophobicContact CD1-CB 4.14Å; L274-V368 HydrophobicContact CD1-CB 4.48Å; L274-V368 HydrophobicContact CD1-CG2 4.08Å; L274-L399 HydrophobicContact CD2-CB 4.34Å; L274-L399 HydrophobicContact CD2-CD1 4.45Å; L274-L403 HydrophobicContact CB-CD1 4.02Å; L274-L403 HydrophobicContact CD1-CD1 3.85Å; L274-L403 HydrophobicContact CD2-CD1 3.73Å; L274-L403 HydrophobicContact CG-CD1 4.07Å
275	S	97.4	Very high	82.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.3	175	73.3	0	0	0	0	115.9	I303 S341 F343 L345	S275-I303 CarbonylContact C-O 3.51Å; S275-I303 VanDerWaalsContact CA-O 3.23Å; S275-I303 WeakPolarHBondContact CA-O 3.46Å; S275-S341 WeakPolarHBondContact CB-OG 3.26Å; S275-S341 WeakPolarHBondContact OG-CB 3.28Å; S275-S341 PolarHBondContact OG-OG 2.94Å; S275-F343 PolarHBondContact N-O 2.98Å; S275-L345 PolarHBondContact O-N 3.37Å
276	F	97	Very high	82.7	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.3	167.2	-178.2	-107.1	0	0	0	110	L293 I303 M304 L305 T306 L345 P347	F276-L293 HydrophobicContact CD1-CD1 3.66Å; F276-L293 HydrophobicContact CE1-CD1 3.75Å; F276-L293 HydrophobicContact CG-CD1 4.13Å; F276-L293 HydrophobicContact CZ-CD1 4.32Å; F276-I303 PolarHBondContact N-O 3.48Å; F276-M304 HydrophobicContact CB-SD 3.44Å; F276-M304 WeakPolarHBondContact CB-SD 3.46Å; F276-L305 PolarHBondContact O-N 3.43Å; F276-T306 HydrophobicContact CD1-CG2 4.24Å; F276-T306 HydrophobicContact CE1-CG2 4.1Å; F276-L345 HydrophobicContact CB-CB 4.17Å; F276-L345 HydrophobicContact CB-CD2 4.48Å; F276-L345 HydrophobicContact CD2-CB 4.42Å; F276-P347 HydrophobicContact CD2-CG 3.88Å; F276-P347 VanDerWaalsContact CE2-CD 3.43Å; F276-P347 HydrophobicContact CE2-CG 3.32Å; F276-P347 HydrophobicContact CZ-CG 3.75Å
277	K	95.6	Very high	83	Confident	21 Å²	21	41.8 Å²	41.8	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	114.5	166.7	-175.8	173.2	175.5	-163.4	0	109	L305 Y329 Y332 Y334 L337 R356	K277-L305 CarbonylContact C-O 3.57Å; K277-L305 VanDerWaalsContact CA-O 3.26Å; K277-L305 WeakPolarHBondContact CA-O 3.44Å; K277-L305 HydrophobicContact CB-CB 4.27Å; K277-L305 HydrophobicContact CD-CD1 4.32Å; K277-L305 HydrophobicContact CG-CB 4.09Å; K277-Y329 HydrophobicContact CD-CD2 4.44Å; K277-Y329 HydrophobicContact CD-CE2 4.14Å; K277-Y329 VanDerWaalsContact CE-CZ 3.44Å; K277-Y329 WeakPolarHBondContact CE-O 3.42Å; K277-Y329 HydrophobicContact CG-CD2 3.78Å; K277-Y329 HydrophobicContact CG-CE2 3.34Å; K277-Y329 PolarHBondContact NZ-O 3.32Å; K277-Y332 PolarHBondContact NZ-O 2.81Å; K277-Y334 HydrophobicContact CB-CD2 3.94Å; K277-Y334 HydrophobicContact CB-CE2 4.16Å; K277-Y334 HydrophobicContact CD-CD2 3.94Å; K277-Y334 HydrophobicContact CG-CD2 4Å; K277-Y334 WeakPolarHBondContact O-CE2 2.79Å; K277-L337 HydrophobicContact CB-CD2 4.02Å; K277-R356 PolarHBondContact O-NH1 3.43Å
278	G	93.3	Very high	83	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-173	-176.9	0	0	0	0	0	115.9	L305 T306 T307	G278-L305 PolarHBondContact N-O 3Å; G278-T306 CarbonylContact O-C 3.49Å; G278-T306 WeakPolarHBondContact O-CA 3.23Å; G278-T307 PolarHBondContact O-N 3.14Å
279	K	89.9	Confident	83	Confident	94 Å²	94	36.4 Å²	36.4	41%	0.409	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.6	179.2	-60.7	-176.7	179.8	173.8	0	111.2	Y281 R290 T307 H310	K279-Y281 HydrophobicContact CB-CD1 4.47Å; K279-Y281 HydrophobicContact CB-CE1 4.24Å; K279-R290 WeakPolarHBondContact O-CD 3.43Å; K279-R290 PolarHBondContact O-NH1 3.45Å; K279-T307 WeakPolarHBondContact CA-O 3.31Å; K279-T307 HydrophobicContact CB-CG2 4.5Å; K279-T307 HydrophobicContact CG-CG2 3.98Å; K279-H310 HydrophobicContact CD-CB 4.36Å; K279-H310 WeakPolarHBondContact CD-ND1 3.16Å
280	R	85.5	Confident	83.2	Confident	11 Å²	11	30.5 Å²	30.5	4%	0.042	19%	0.185	C	C	.	.			trans	-78.9	-21.1	178.2	-172.2	172.3	141.3	91.2	-1.8	114.2	R290 D291 T307 D319 R321	R280-R290 WeakPolarHBondContact O-CB 3.2Å; R280-D291 IonicContact CZ-OD1 2.82Å; R280-D291 IonicContact CZ-OD2 3.15Å; R280-D291 VanDerWaalsContact CZ-OD2 3.29Å; R280-D291 IonicContact NE-OD1 3.74Å; R280-D291 VanDerWaalsContact NH1-CA 3.27Å; R280-D291 PolarHBondContact NH1-O 3.15Å; R280-D291 VanDerWaalsContact NH1-O 3.07Å; R280-D291 IonicContact NH1-OD1 3.81Å; R280-D291 PolarHBondContact NH1-OD1 3.43Å; R280-D291 VanDerWaalsContact NH1-OD1 3.07Å; R280-D291 IonicContact NH1-OD2 3.32Å; R280-D291 PolarHBondContact NH1-OD2 2.98Å; R280-D291 IonicContact NH2-OD1 3.91Å; R280-D291 PolarHBondContact NH2-OD1 2.89Å; R280-D291 IonicContact NH2-OD2 3.5Å; R280-D291 PolarHBondContact NH2-OD2 3.23Å; R280-T307 PolarHBondContact N-O 3.16Å; R280-D319 IonicContact CZ-OD2 3.86Å; R280-D319 IonicContact NE-OD2 2.66Å; R280-D319 IonicContact NH2-OD2 3.31Å; R280-D319 PolarHBondContact NH2-OD2 3.06Å; R280-R321 VanDerWaalsContact NH1-CZ 3.27Å
281	Y	75.6	Confident	83	Confident	23 Å²	23	33 Å²	33	9%	0.09	20%	0.198	C	C	.	.			trans	51.4	90.6	-168.8	-52.5	-59.1	0	0	0	112.2	K279 S283 S287 R290 H310 R350	K279-Y281 HydrophobicContact CB-CD1 4.47Å; K279-Y281 HydrophobicContact CB-CE1 4.24Å; Y281-S283 PolarHBondContact O-N 2.84Å; Y281-S283 VanDerWaalsContact O-N 3.17Å; Y281-S287 VanDerWaalsContact O-CA 3.28Å; Y281-S287 WeakPolarHBondContact O-CA 3.34Å; Y281-S287 WeakPolarHBondContact O-CB 3.3Å; Y281-R290 HydrophobicContact CD2-CG 4.46Å; Y281-R290 VanDerWaalsContact CE2-CZ 3.46Å; Y281-H310 AromaticContact CD1-CD2 3.69Å; Y281-H310 AromaticContact CD1-CE1 3.89Å; Y281-H310 AromaticContact CD1-CG 3.82Å; Y281-H310 AromaticContact CD1-ND1 3.94Å; Y281-H310 AromaticContact CD1-NE2 3.72Å; Y281-H310 AromaticContact CE1-CE1 3.59Å; Y281-H310 AromaticContact CE1-ND1 3.8Å; Y281-H310 AromaticContact CE1-NE2 3.83Å; Y281-R350 HydrophobicContact CE1-CG 4.14Å
282	V	72	Confident	82.8	Confident	32 Å²	32	32.4 Å²	32.4	19%	0.194	19%	0.191	C	C	.	.	S	Bend	trans	-67.8	-10.2	177.6	-69.9	0	0	0	0	114.1	C308 W314	V282-C308 HydrophobicContact CG1-CB 4.01Å; V282-W314 HydrophobicContact CG2-CB 4.5Å
283	S	70.4	Confident	82.6	Confident	40 Å²	40	30 Å²	30	28%	0.28	18%	0.182	S	C	.	.	S	Bend	trans	-152.4	154.2	177.6	62.2	0	0	0	0	110.7	Y281	Y281-S283 PolarHBondContact O-N 2.84Å; Y281-S283 VanDerWaalsContact O-N 3.17Å
284	G	68	Low	82.2	Confident	32 Å²	32	32.7 Å²	32.7	33%	0.33	19%	0.192	S	C	.	.	S	Bend	trans	92.2	-176.5	173.9	0	0	0	0	0	115.6	W204 S287	W204-G284 VanDerWaalsContact CH2-CA 3.44Å; G284-S287 VanDerWaalsContact O-CB 3.3Å; G284-S287 WeakPolarHBondContact O-CB 3.24Å; G284-S287 PolarHBondContact O-N 3.2Å; G284-S287 PolarHBondContact O-OG 3.3Å
285	I	64.4	Low	82	Confident	67 Å²	67	38.8 Å²	38.8	34%	0.344	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	133.2	177.2	-61.2	172.5	0	0	0	109.5	P205 Y206	P205-I285 WeakPolarHBondContact O-CD1 3.35Å; Y206-I285 WeakPolarHBondContact O-CD1 3.45Å
286	G	63.8	Low	81.9	Confident	9 Å²	9	39.2 Å²	39.2	9%	0.093	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-8.7	-177.5	0	0	0	0	0	115	R290	G286-R290 PolarHBondContact O-N 2.97Å
287	S	69.4	Low	81.8	Confident	35 Å²	35	41.5 Å²	41.5	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-54.6	170.8	54.2	0	0	0	0	111	Y281 G284 S289 R290 D291	Y281-S287 VanDerWaalsContact O-CA 3.28Å; Y281-S287 WeakPolarHBondContact O-CA 3.34Å; Y281-S287 WeakPolarHBondContact O-CB 3.3Å; G284-S287 VanDerWaalsContact O-CB 3.3Å; G284-S287 WeakPolarHBondContact O-CB 3.24Å; G284-S287 PolarHBondContact O-N 3.2Å; G284-S287 PolarHBondContact O-OG 3.3Å; S287-S289 PolarHBondContact O-N 3.02Å; S287-R290 PolarHBondContact O-N 2.87Å; S287-R290 VanDerWaalsContact O-N 3.16Å; S287-D291 WeakPolarHBondContact O-CB 3.3Å; S287-D291 PolarHBondContact O-N 3.4Å
288	A	72.1	Confident	81.8	Confident	75 Å²	75	43.7 Å²	43.7	62%	0.62	25%	0.246	S	C	*	.	H	α-helix	trans	-56.2	-48.1	179.7	0	0	0	0	0	113.5	R290 D291	A288-R290 PolarHBondContact O-N 3.31Å; A288-D291 PolarHBondContact O-N 3.46Å
289	S	75	Confident	81.9	Confident	24 Å²	24	45.3 Å²	45.3	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-29.8	-179.2	-51.4	0	0	0	0	112.6	S287 I292 E393	S287-S289 PolarHBondContact O-N 3.02Å; S289-I292 WeakPolarHBondContact O-CG2 3.45Å; S289-E393 PolarHBondContact OG-OE1 3.33Å
290	R	85.7	Confident	82.1	Confident	12 Å²	12	49 Å²	49	5%	0.045	28%	0.279	C	S	.	.	H	α-helix	trans	-94.4	-21.6	178.7	-65.5	-164.7	-177.6	-165.6	-4.7	113.5	K279 R280 Y281 G286 S287 A288 I292 L293 R348	K279-R290 WeakPolarHBondContact O-CD 3.43Å; K279-R290 PolarHBondContact O-NH1 3.45Å; R280-R290 WeakPolarHBondContact O-CB 3.2Å; Y281-R290 HydrophobicContact CD2-CG 4.46Å; Y281-R290 VanDerWaalsContact CE2-CZ 3.46Å; G286-R290 PolarHBondContact O-N 2.97Å; S287-R290 PolarHBondContact O-N 2.87Å; S287-R290 VanDerWaalsContact O-N 3.16Å; A288-R290 PolarHBondContact O-N 3.31Å; R290-I292 VanDerWaalsContact C-N 3.32Å; R290-I292 PolarHBondContact O-N 3.39Å; R290-L293 HydrophobicContact CB-CD1 4.34Å; R290-L293 HydrophobicContact CG-CD1 4.33Å; R290-L293 WeakPolarHBondContact O-CB 2.76Å; R290-L293 WeakPolarHBondContact O-CG 3.31Å; R290-L293 PolarHBondContact O-N 2.92Å; R290-R348 PolarHBondContact NE-O 3.16Å; R290-R348 VanDerWaalsContact NE-O 3.16Å; R290-R348 PolarHBondContact NH2-O 3.2Å; R290-R348 VanDerWaalsContact NH2-O 3.08Å
291	D	85.1	Confident	82.6	Confident	62 Å²	62	50 Å²	50	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-45.2	178.6	-150.8	94.5	0	0	0	111.4	R280 S287 A288 L293	R280-D291 IonicContact CZ-OD1 2.82Å; R280-D291 IonicContact CZ-OD2 3.15Å; R280-D291 VanDerWaalsContact CZ-OD2 3.29Å; R280-D291 IonicContact NE-OD1 3.74Å; R280-D291 VanDerWaalsContact NH1-CA 3.27Å; R280-D291 PolarHBondContact NH1-O 3.15Å; R280-D291 VanDerWaalsContact NH1-O 3.07Å; R280-D291 IonicContact NH1-OD1 3.81Å; R280-D291 PolarHBondContact NH1-OD1 3.43Å; R280-D291 VanDerWaalsContact NH1-OD1 3.07Å; R280-D291 IonicContact NH1-OD2 3.32Å; R280-D291 PolarHBondContact NH1-OD2 2.98Å; R280-D291 IonicContact NH2-OD1 3.91Å; R280-D291 PolarHBondContact NH2-OD1 2.89Å; R280-D291 IonicContact NH2-OD2 3.5Å; R280-D291 PolarHBondContact NH2-OD2 3.23Å; S287-D291 WeakPolarHBondContact O-CB 3.3Å; S287-D291 PolarHBondContact O-N 3.4Å; A288-D291 PolarHBondContact O-N 3.46Å; D291-L293 PolarHBondContact O-N 3.31Å
292	I	88.2	Confident	83.7	Confident	55 Å²	55	49 Å²	49	28%	0.282	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.5	-176.6	-167.4	159	0	0	0	113.8	S289 R290 F294 H295 P396 L397	S289-I292 WeakPolarHBondContact O-CG2 3.45Å; R290-I292 VanDerWaalsContact C-N 3.32Å; R290-I292 PolarHBondContact O-N 3.39Å; I292-F294 PolarHBondContact O-N 3.35Å; I292-F294 VanDerWaalsContact O-N 3.14Å; I292-H295 WeakPolarHBondContact O-CB 3.34Å; I292-H295 PolarHBondContact O-N 3.46Å; I292-P396 HydrophobicContact CD1-CG 3.59Å; I292-P396 HydrophobicContact CG1-CG 3.97Å; I292-P396 HydrophobicContact CG2-CB 4.43Å; I292-P396 HydrophobicContact CG2-CG 3.76Å; I292-L397 HydrophobicContact CD1-CG 4.48Å; I292-L397 HydrophobicContact CG1-CD2 4.4Å
293	L	91.1	Very high	84.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.8	-25.8	-177.3	-58.9	-177.1	0	0	0	112.7	F276 R290 D291 H295 L296 M304 L345 P347 L370	F276-L293 HydrophobicContact CD1-CD1 3.66Å; F276-L293 HydrophobicContact CE1-CD1 3.75Å; F276-L293 HydrophobicContact CG-CD1 4.13Å; F276-L293 HydrophobicContact CZ-CD1 4.32Å; R290-L293 HydrophobicContact CB-CD1 4.34Å; R290-L293 HydrophobicContact CG-CD1 4.33Å; R290-L293 WeakPolarHBondContact O-CB 2.76Å; R290-L293 WeakPolarHBondContact O-CG 3.31Å; R290-L293 PolarHBondContact O-N 2.92Å; D291-L293 PolarHBondContact O-N 3.31Å; L293-H295 PolarHBondContact O-N 2.74Å; L293-L296 HydrophobicContact CD2-CD1 3.95Å; L293-L296 WeakPolarHBondContact O-CB 3.44Å; L293-L296 PolarHBondContact O-N 3.09Å; L293-M304 HydrophobicContact CB-CB 4.46Å; L293-M304 WeakPolarHBondContact O-CB 3.1Å; L293-M304 WeakPolarHBondContact O-CG 3.17Å; L293-L345 HydrophobicContact CD1-CD2 4.09Å; L293-L345 HydrophobicContact CD2-CD2 3.42Å; L293-L345 VanDerWaalsContact CD2-CD2 3.42Å; L293-L345 HydrophobicContact CG-CD2 4.38Å; L293-P347 HydrophobicContact CD1-CG 4.31Å; L293-L370 HydrophobicContact CD2-CD2 4.26Å
294	F	89.7	Confident	86.2	Confident	82 Å²	82	46 Å²	46	36%	0.36	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37	173.4	172.9	-99.5	0	0	0	112.4	I292 L296 H297	I292-F294 PolarHBondContact O-N 3.35Å; I292-F294 VanDerWaalsContact O-N 3.14Å; F294-L296 PolarHBondContact O-N 3.19Å; F294-H297 WeakPolarHBondContact O-CB 3.46Å; F294-H297 PolarHBondContact O-N 2.94Å
295	H	92.6	Very high	87.5	Confident	128 Å²	128	44.6 Å²	44.6	59%	0.593	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-72.9	-13.4	179.6	-65.1	-63.9	0	0	0	113.8	I292 L293 L397	I292-H295 WeakPolarHBondContact O-CB 3.34Å; I292-H295 PolarHBondContact O-N 3.46Å; L293-H295 PolarHBondContact O-N 2.74Å; H295-L397 HydrophobicContact CB-CD2 3.78Å
296	L	94.9	Very high	88.9	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.047	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-85	-22	173.7	-63.1	176.7	0	0	0	112.4	L293 F294 N298 I302 M304 P396 L397 L399 P400	L293-L296 HydrophobicContact CD2-CD1 3.95Å; L293-L296 WeakPolarHBondContact O-CB 3.44Å; L293-L296 PolarHBondContact O-N 3.09Å; F294-L296 PolarHBondContact O-N 3.19Å; L296-N298 PolarHBondContact O-N 2.86Å; L296-I302 HydrophobicContact CB-CG2 4.43Å; L296-I302 WeakPolarHBondContact O-CG2 3.32Å; L296-M304 HydrophobicContact CB-CE 3.99Å; L296-M304 HydrophobicContact CB-CG 3.89Å; L296-M304 HydrophobicContact CD1-CE 3.97Å; L296-P396 HydrophobicContact CD1-CB 4.35Å; L296-P396 WeakPolarHBondContact CD2-O 3.49Å; L296-L397 HydrophobicContact CD2-CD2 3.93Å; L296-L397 HydrophobicContact CG-CD2 4.47Å; L296-L399 HydrophobicContact CD1-CD1 4.12Å; L296-P400 HydrophobicContact CD2-CG 4.1Å
297	H	95.5	Very high	90.2	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.227	23%	0.228	C	C	.	.			trans	-67.4	125.6	-178.1	-172	47.1	0	0	0	111.2	F294 I302 M304	F294-H297 WeakPolarHBondContact O-CB 3.46Å; F294-H297 PolarHBondContact O-N 2.94Å; H297-I302 PolarHBondContact ND1-O 3.42Å; H297-I302 VanDerWaalsContact ND1-O 3.08Å; H297-M304 HydrophobicContact CB-CB 4.04Å; H297-M304 HydrophobicContact CB-CG 4.42Å; H297-M304 PolarHBondContact ND1-N 2.96Å
298	N	96	Very high	91.2	Very high	67 Å²	67	39.8 Å²	39.8	36%	0.358	22%	0.216	S	C	.	.			trans	-118.9	-0.4	176.1	73.1	3.9	0	0	0	113.9	L296 K300 D301 I302	L296-N298 PolarHBondContact O-N 2.86Å; N298-K300 PolarHBondContact O-N 3.26Å; N298-K300 VanDerWaalsContact O-N 3.13Å; N298-K300 PolarHBondContact OD1-N 3.41Å; N298-D301 PolarHBondContact ND2-OD1 3.41Å; N298-D301 PolarHBondContact OD1-N 3.19Å; N298-I302 PolarHBondContact N-O 3.33Å; N298-I302 PolarHBondContact OD1-N 3.47Å; N298-I302 PolarHBondContact OD1-O 2.87Å
299	G	94.3	Very high	91.9	Very high	45 Å²	45	41.6 Å²	41.6	46%	0.464	21%	0.207	S	C	.	.	S	Bend	trans	65.1	9.2	-179.5	0	0	0	0	0	115.5
300	K	95.5	Very high	92.1	Very high	171 Å²	171	42 Å²	42	74%	0.743	21%	0.206	S	C	*	.	S	Bend	trans	-115.8	-83.2	-178	-64.6	-179.9	-178	-177.6	0	110.5	N298	N298-K300 PolarHBondContact O-N 3.26Å; N298-K300 VanDerWaalsContact O-N 3.13Å; N298-K300 PolarHBondContact OD1-N 3.41Å
301	D	96.6	Very high	91.6	Very high	34 Å²	34	44.1 Å²	44.1	18%	0.182	23%	0.232	C	C	.	.	S	Bend	trans	-113.4	-7.9	-178.5	65.4	-25.1	0	0	0	112.9	Y272 L273 L274 N298 R404	Y272-D301 CarbonylContact C-O 3.42Å; Y272-D301 WeakPolarHBondContact CA-O 3.02Å; L273-D301 HydrophobicContact CB-CB 4.25Å; L273-D301 PolarHBondContact N-O 3.33Å; L274-D301 PolarHBondContact N-O 2.94Å; N298-D301 PolarHBondContact ND2-OD1 3.41Å; N298-D301 PolarHBondContact OD1-N 3.19Å; D301-R404 VanDerWaalsContact CG-NH2 3.31Å; D301-R404 IonicContact OD1-NH2 3.86Å; D301-R404 PolarHBondContact OD1-NH2 3.4Å; D301-R404 VanDerWaalsContact OD1-NH2 3.13Å; D301-R404 IonicContact OD2-CZ 3.74Å; D301-R404 IonicContact OD2-NH1 3.23Å; D301-R404 PolarHBondContact OD2-NH1 3.03Å; D301-R404 IonicContact OD2-NH2 2.85Å; D301-R404 PolarHBondContact OD2-NH2 2.99Å
302	I	97.9	Very high	91.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.2	174.6	-55.9	-177.8	0	0	0	109.8	L273 L274 L296 H297 N298 M304 P400	L273-I302 HydrophobicContact CD2-CD1 4.39Å; L273-I302 HydrophobicContact CD2-CG1 4.47Å; L274-I302 HydrophobicContact CB-CG1 4.39Å; L274-I302 HydrophobicContact CB-CG2 4.27Å; L274-I302 HydrophobicContact CD2-CG2 4.38Å; L274-I302 WeakPolarHBondContact O-CA 3.31Å; L296-I302 HydrophobicContact CB-CG2 4.43Å; L296-I302 WeakPolarHBondContact O-CG2 3.32Å; H297-I302 PolarHBondContact ND1-O 3.42Å; H297-I302 VanDerWaalsContact ND1-O 3.08Å; N298-I302 PolarHBondContact N-O 3.33Å; N298-I302 PolarHBondContact OD1-N 3.47Å; N298-I302 PolarHBondContact OD1-O 2.87Å; I302-M304 HydrophobicContact CG2-CE 3.6Å; I302-M304 HydrophobicContact CG2-CG 4.34Å; I302-P400 HydrophobicContact CD1-CB 3.58Å; I302-P400 HydrophobicContact CD1-CG 3.69Å
303	I	97.7	Very high	90.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112	-170.8	-55.6	-57.8	0	0	0	109.8	Y272 L274 S275 F276 L305 L337	Y272-I303 HydrophobicContact CD1-CD1 4.23Å; Y272-I303 HydrophobicContact CD1-CG1 3.44Å; Y272-I303 VanDerWaalsContact CD1-CG1 3.44Å; Y272-I303 HydrophobicContact CE1-CD1 4.06Å; Y272-I303 HydrophobicContact CE1-CG1 3.58Å; Y272-I303 HydrophobicContact CG-CG1 4.17Å; L274-I303 PolarHBondContact O-N 2.91Å; S275-I303 CarbonylContact C-O 3.51Å; S275-I303 VanDerWaalsContact CA-O 3.23Å; S275-I303 WeakPolarHBondContact CA-O 3.46Å; F276-I303 PolarHBondContact N-O 3.48Å; I303-L305 HydrophobicContact CG2-CD1 3.88Å; I303-L305 HydrophobicContact CG2-CD2 3.99Å; I303-L305 HydrophobicContact CG2-CG 3.69Å; I303-L337 HydrophobicContact CB-CD1 4.03Å; I303-L337 HydrophobicContact CG1-CD1 4.36Å; I303-L337 HydrophobicContact CG2-CD1 3.86Å; I303-L337 HydrophobicContact CG2-CD2 4.12Å
304	M	96.7	Very high	90.4	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	99.8	-179.3	-56.2	-74.5	172.6	0	0	109	L274 F276 L293 L296 H297 I302 L345	L274-M304 HydrophobicContact CB-CE 4.48Å; L274-M304 HydrophobicContact CD2-CE 3.3Å; L274-M304 HydrophobicContact CG-CE 3.54Å; F276-M304 HydrophobicContact CB-SD 3.44Å; F276-M304 WeakPolarHBondContact CB-SD 3.46Å; L293-M304 HydrophobicContact CB-CB 4.46Å; L293-M304 WeakPolarHBondContact O-CB 3.1Å; L293-M304 WeakPolarHBondContact O-CG 3.17Å; L296-M304 HydrophobicContact CB-CE 3.99Å; L296-M304 HydrophobicContact CB-CG 3.89Å; L296-M304 HydrophobicContact CD1-CE 3.97Å; H297-M304 HydrophobicContact CB-CB 4.04Å; H297-M304 HydrophobicContact CB-CG 4.42Å; H297-M304 PolarHBondContact ND1-N 2.96Å; I302-M304 HydrophobicContact CG2-CE 3.6Å; I302-M304 HydrophobicContact CG2-CG 4.34Å; M304-L345 HydrophobicContact CE-CD2 4.34Å; M304-L345 HydrophobicContact SD-CD2 4.19Å
305	L	95.7	Very high	90.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.1	-174.9	-55.1	177.1	0	0	0	109	F276 K277 G278 I303 L328 Y329 Y332 L337	F276-L305 PolarHBondContact O-N 3.43Å; K277-L305 CarbonylContact C-O 3.57Å; K277-L305 VanDerWaalsContact CA-O 3.26Å; K277-L305 WeakPolarHBondContact CA-O 3.44Å; K277-L305 HydrophobicContact CB-CB 4.27Å; K277-L305 HydrophobicContact CD-CD1 4.32Å; K277-L305 HydrophobicContact CG-CB 4.09Å; G278-L305 PolarHBondContact N-O 3Å; I303-L305 HydrophobicContact CG2-CD1 3.88Å; I303-L305 HydrophobicContact CG2-CD2 3.99Å; I303-L305 HydrophobicContact CG2-CG 3.69Å; L305-L328 HydrophobicContact CD2-CB 4.11Å; L305-Y329 HydrophobicContact CB-CD2 4.24Å; L305-Y332 HydrophobicContact CD1-CD1 4.29Å; L305-Y332 HydrophobicContact CD1-CD2 3.52Å; L305-Y332 HydrophobicContact CD1-CE2 4.3Å; L305-Y332 HydrophobicContact CD1-CG 3.51Å; L305-Y332 HydrophobicContact CD2-CD2 4.19Å; L305-Y332 HydrophobicContact CD2-CE2 4.32Å; L305-L337 HydrophobicContact CD1-CD2 3.94Å
306	T	93.5	Very high	90	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	-179.3	74.5	0	0	0	0	112.5	F276 G278 D325	F276-T306 HydrophobicContact CD1-CG2 4.24Å; F276-T306 HydrophobicContact CE1-CG2 4.1Å; G278-T306 CarbonylContact O-C 3.49Å; G278-T306 WeakPolarHBondContact O-CA 3.23Å; T306-D325 CarbonylContact O-C 3.55Å
307	T	91.3	Very high	89.4	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138	173.3	-176.9	0	0	0	0	111.1	G278 K279 R280 R309 Y329	G278-T307 PolarHBondContact O-N 3.14Å; K279-T307 WeakPolarHBondContact CA-O 3.31Å; K279-T307 HydrophobicContact CB-CG2 4.5Å; K279-T307 HydrophobicContact CG-CG2 3.98Å; R280-T307 PolarHBondContact N-O 3.16Å; T307-R309 VanDerWaalsContact C-N 3.3Å; T307-R309 PolarHBondContact OG1-N 3.27Å; T307-Y329 HydrophobicContact CG2-CD1 4.47Å; T307-Y329 HydrophobicContact CG2-CD2 4.19Å; T307-Y329 HydrophobicContact CG2-CE1 4.11Å; T307-Y329 HydrophobicContact CG2-CE2 3.78Å
308	C	89.4	Confident	88.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.			trans	-80.1	-9.9	173.6	-63.7	0	0	0	0	113	V282 H310 W314 C322	V282-C308 HydrophobicContact CG1-CB 4.01Å; C308-H310 PolarHBondContact O-N 3.49Å; C308-W314 HydrophobicContact CB-CE3 3.92Å; C308-W314 HydrophobicContact CB-CZ3 4.15Å; C308-W314 WeakPolarHBondContact O-CB 3.48Å; C308-C322 HydrophobicContact CB-CB 3.83Å; C308-C322 WeakPolarHBondContact CB-SG 3.42Å; C308-C322 VanDerWaalsContact SG-CA 3.5Å; C308-C322 WeakPolarHBondContact SG-CB 3.34Å; C308-C322 CovalentContact SG-SG 2.05Å; C308-C322 PolarHBondContact SG-SG 3.38Å
309	R	86.9	Confident	88.6	Confident	113 Å²	113	57 Å²	57	43%	0.426	30%	0.303	S	S	.	.			trans	-65.9	87.5	-178.5	-61.3	179.4	-170.4	151	9.5	111	T307 W314 M326 D330	T307-R309 VanDerWaalsContact C-N 3.3Å; T307-R309 PolarHBondContact OG1-N 3.27Å; R309-W314 HydrophobicContact CG-CH2 4.48Å; R309-W314 HydrophobicContact CG-CZ2 4.05Å; R309-M326 HydrophobicContact CG-SD 4.05Å; R309-D330 IonicContact CZ-OD2 3.66Å; R309-D330 IonicContact NH1-OD1 3.48Å; R309-D330 PolarHBondContact NH1-OD1 3.47Å; R309-D330 IonicContact NH1-OD2 3.64Å; R309-D330 IonicContact NH2-OD1 3.29Å; R309-D330 IonicContact NH2-OD2 2.64Å; R309-D330 PolarHBondContact NH2-OD2 2.78Å
310	H	79.4	Confident	88.3	Confident	33 Å²	33	65 Å²	65	15%	0.153	33%	0.326	C	S	.	.			trans	-141.9	111.9	-179.2	-172.3	64.6	0	0	0	114.2	K279 Y281 C308 W314 R350	K279-H310 HydrophobicContact CD-CB 4.36Å; K279-H310 WeakPolarHBondContact CD-ND1 3.16Å; Y281-H310 AromaticContact CD1-CD2 3.69Å; Y281-H310 AromaticContact CD1-CE1 3.89Å; Y281-H310 AromaticContact CD1-CG 3.82Å; Y281-H310 AromaticContact CD1-ND1 3.94Å; Y281-H310 AromaticContact CD1-NE2 3.72Å; Y281-H310 AromaticContact CE1-CE1 3.59Å; Y281-H310 AromaticContact CE1-ND1 3.8Å; Y281-H310 AromaticContact CE1-NE2 3.83Å; C308-H310 PolarHBondContact O-N 3.49Å; H310-W314 WeakPolarHBondContact O-CB 3.29Å; H310-R350 PolarHBondContact CE1-NH1 2.9Å; H310-R350 PolarHBondContact NE2-NH1 2.88Å
311	G	75.1	Confident	88	Confident	57 Å²	57	59.1 Å²	59.1	59%	0.588	30%	0.299	S	S	*	.	S	Bend	trans	79.2	-179.8	-173.4	0	0	0	0	0	111.3
312	T	76.3	Confident	87.7	Confident	125 Å²	125	57.7 Å²	57.7	77%	0.767	29%	0.291	S	S	*	.	S	Bend	trans	-74.9	-33.5	178.3	51.3	0	0	0	0	111.9
313	D	81.1	Confident	87.4	Confident	88 Å²	88	60.8 Å²	60.8	47%	0.471	32%	0.317	S	S	.	.			trans	-101.8	16	-166.5	-59.9	1.2	0	0	0	113.1	T315 R316 Y317	D313-T315 PolarHBondContact O-N 3.02Å; D313-T315 VanDerWaalsContact O-N 3.15Å; D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 3.45Å; D313-Y317 WeakPolarHBondContact O-CD2 3.45Å
314	W	82.6	Confident	87.2	Confident	58 Å²	58	64.7 Å²	64.7	22%	0.22	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-59.4	-30.7	-174.8	69	-86.2	0	0	0	113.5	V282 C308 R309 H310 R316 Y317 A318 M326	V282-W314 HydrophobicContact CG2-CB 4.5Å; C308-W314 HydrophobicContact CB-CE3 3.92Å; C308-W314 HydrophobicContact CB-CZ3 4.15Å; C308-W314 WeakPolarHBondContact O-CB 3.48Å; R309-W314 HydrophobicContact CG-CH2 4.48Å; R309-W314 HydrophobicContact CG-CZ2 4.05Å; H310-W314 WeakPolarHBondContact O-CB 3.29Å; W314-R316 PolarHBondContact O-N 3.31Å; W314-Y317 CarbonylContact O-C 3.53Å; W314-Y317 PolarHBondContact O-N 3.41Å; W314-A318 HydrophobicContact CE3-CB 4.26Å; W314-A318 HydrophobicContact CZ3-CB 4.2Å; W314-A318 PolarHBondContact O-N 2.73Å; W314-A318 VanDerWaalsContact O-N 3.08Å; W314-M326 HydrophobicContact CH2-CE 4.02Å; W314-M326 HydrophobicContact CH2-SD 3.81Å; W314-M326 HydrophobicContact CZ3-CE 4.26Å; W314-M326 HydrophobicContact CZ3-SD 4.15Å
315	T	86.3	Confident	87	Confident	95 Å²	95	64.7 Å²	64.7	58%	0.583	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-59.7	-31	177.2	49.6	0	0	0	0	112	D313 Y317 A318	D313-T315 PolarHBondContact O-N 3.02Å; D313-T315 VanDerWaalsContact O-N 3.15Å; T315-Y317 VanDerWaalsContact C-N 3.25Å; T315-Y317 PolarHBondContact O-N 3.46Å; T315-A318 PolarHBondContact O-N 3.1Å
316	R	86.4	Confident	86.8	Confident	134 Å²	134	66.1 Å²	66.1	51%	0.506	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-66.6	-27.5	176.5	-173.5	176.9	174	-176.5	-5.3	113	D313 W314	D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 3.45Å; W314-R316 PolarHBondContact O-N 3.31Å
317	Y	83.4	Confident	86.8	Confident	115 Å²	115	69 Å²	69	45%	0.451	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-110.2	8.6	-177.4	-56.9	-77.9	0	0	0	112.4	D313 W314 T315 D319	D313-Y317 WeakPolarHBondContact O-CD2 3.45Å; W314-Y317 CarbonylContact O-C 3.53Å; W314-Y317 PolarHBondContact O-N 3.41Å; T315-Y317 VanDerWaalsContact C-N 3.25Å; T315-Y317 PolarHBondContact O-N 3.46Å; Y317-D319 PolarHBondContact O-N 2.85Å
318	A	85.7	Confident	86.9	Confident	44 Å²	44	72 Å²	72	36%	0.364	39%	0.388	S	S	.	.			trans	-69.4	125.5	-177.9	0	0	0	0	0	111	W314 T315 C322	W314-A318 HydrophobicContact CE3-CB 4.26Å; W314-A318 HydrophobicContact CZ3-CB 4.2Å; W314-A318 PolarHBondContact O-N 2.73Å; W314-A318 VanDerWaalsContact O-N 3.08Å; T315-A318 PolarHBondContact O-N 3.1Å; A318-C322 HydrophobicContact CB-CB 4.27Å
319	D	88.2	Confident	87.2	Confident	62 Å²	62	74.1 Å²	74.1	33%	0.332	40%	0.397	S	S	.	.			trans	-84.6	174.8	173.4	68.6	33.8	0	0	0	111.5	R280 Y317 R321 C322	R280-D319 IonicContact CZ-OD2 3.86Å; R280-D319 IonicContact NE-OD2 2.66Å; R280-D319 IonicContact NH2-OD2 3.31Å; R280-D319 PolarHBondContact NH2-OD2 3.06Å; Y317-D319 PolarHBondContact O-N 2.85Å; D319-R321 PolarHBondContact O-N 2.94Å; D319-R321 WeakPolarHBondContact OD1-CA 3.43Å; D319-R321 WeakPolarHBondContact OD1-CB 3.46Å; D319-R321 PolarHBondContact OD1-N 3Å; D319-R321 IonicContact OD2-NH2 2.7Å; D319-C322 WeakPolarHBondContact O-CB 3.33Å; D319-C322 PolarHBondContact O-N 3.19Å; D319-C322 PolarHBondContact OD1-N 3.1Å
320	K	88.5	Confident	87.6	Confident	214 Å²	214	73 Å²	73	93%	0.93	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	-179.9	-65	-178.2	-179.2	179.4	0	113.5
321	R	89.3	Confident	88.3	Confident	47 Å²	47	75 Å²	75	18%	0.177	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-19.4	-178.8	-158.1	-178.4	75.6	-110.2	-75	112.1	R280 D319 A323 T324 D325	R280-R321 VanDerWaalsContact NH1-CZ 3.27Å; D319-R321 PolarHBondContact O-N 2.94Å; D319-R321 WeakPolarHBondContact OD1-CA 3.43Å; D319-R321 WeakPolarHBondContact OD1-CB 3.46Å; D319-R321 PolarHBondContact OD1-N 3Å; D319-R321 IonicContact OD2-NH2 2.7Å; R321-A323 PolarHBondContact O-N 2.92Å; R321-A323 VanDerWaalsContact O-N 3.09Å; R321-T324 PolarHBondContact O-N 2.83Å; R321-D325 IonicContact CZ-OD1 2.79Å; R321-D325 IonicContact CZ-OD2 3.49Å; R321-D325 VanDerWaalsContact CZ-OD2 3.23Å; R321-D325 VanDerWaalsContact NE-CG 3.25Å; R321-D325 IonicContact NE-OD1 3.81Å; R321-D325 PolarHBondContact NE-OD1 2.91Å; R321-D325 IonicContact NE-OD2 3.16Å; R321-D325 PolarHBondContact NE-OD2 3.35Å; R321-D325 IonicContact NH2-OD2 3.51Å; R321-D325 PolarHBondContact NH2-OD2 3.28Å; R321-D325 PolarHBondContact O-N 2.92Å
322	C	90.9	Very high	89.2	Confident	4 Å²	4	75.8 Å²	75.8	3%	0.027	41%	0.407	C	S	.	.	H	α-helix	trans	-51.9	-37.7	-178.4	-77.5	0	0	0	0	114.1	C308 A318 D319 M326	C308-C322 HydrophobicContact CB-CB 3.83Å; C308-C322 WeakPolarHBondContact CB-SG 3.42Å; C308-C322 VanDerWaalsContact SG-CA 3.5Å; C308-C322 WeakPolarHBondContact SG-CB 3.34Å; C308-C322 CovalentContact SG-SG 2.05Å; C308-C322 PolarHBondContact SG-SG 3.38Å; A318-C322 HydrophobicContact CB-CB 4.27Å; D319-C322 WeakPolarHBondContact O-CB 3.33Å; D319-C322 PolarHBondContact O-N 3.19Å; D319-C322 PolarHBondContact OD1-N 3.1Å; C322-M326 WeakPolarHBondContact O-CB 3.05Å; C322-M326 WeakPolarHBondContact O-CE 3.28Å; C322-M326 WeakPolarHBondContact O-CG 3.09Å; C322-M326 PolarHBondContact O-N 3.33Å
323	A	91.4	Very high	90.1	Very high	68 Å²	68	73.8 Å²	73.8	56%	0.562	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-46.8	177.4	0	0	0	0	0	112.2	R321 M326 A327	R321-A323 PolarHBondContact O-N 2.92Å; R321-A323 VanDerWaalsContact O-N 3.09Å; A323-M326 PolarHBondContact O-N 3.11Å; A323-A327 PolarHBondContact O-N 3.47Å
324	T	92.3	Very high	90.7	Very high	82 Å²	82	71.6 Å²	71.6	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-44.4	177	-51.6	0	0	0	0	111.7	R321 M326 A327 L328	R321-T324 PolarHBondContact O-N 2.83Å; T324-M326 VanDerWaalsContact C-N 3.32Å; T324-M326 PolarHBondContact O-N 3.16Å; T324-A327 PolarHBondContact O-N 3.42Å; T324-L328 HydrophobicContact CG2-CD1 4.34Å; T324-L328 PolarHBondContact O-N 3.31Å
325	D	92.4	Very high	91.1	Very high	8 Å²	8	71.8 Å²	71.8	4%	0.043	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-43.7	178.4	-70.7	-19.4	0	0	0	110.8	T306 R321 L328 Y329	T306-D325 CarbonylContact O-C 3.55Å; R321-D325 IonicContact CZ-OD1 2.79Å; R321-D325 IonicContact CZ-OD2 3.49Å; R321-D325 VanDerWaalsContact CZ-OD2 3.23Å; R321-D325 VanDerWaalsContact NE-CG 3.25Å; R321-D325 IonicContact NE-OD1 3.81Å; R321-D325 PolarHBondContact NE-OD1 2.91Å; R321-D325 IonicContact NE-OD2 3.16Å; R321-D325 PolarHBondContact NE-OD2 3.35Å; R321-D325 IonicContact NH2-OD2 3.51Å; R321-D325 PolarHBondContact NH2-OD2 3.28Å; R321-D325 PolarHBondContact O-N 2.92Å; D325-L328 PolarHBondContact O-N 3.05Å; D325-Y329 WeakPolarHBondContact O-CB 3.35Å; D325-Y329 PolarHBondContact O-N 3.04Å
326	M	92.6	Very high	91.3	Very high	32 Å²	32	73 Å²	73	16%	0.158	38%	0.377	C	S	.	.	H	α-helix	trans	-66	-42.1	176.7	-73.6	-173.9	-61.3	0	0	112.8	R309 W314 C322 A323 T324 L328 Y329 D330	R309-M326 HydrophobicContact CG-SD 4.05Å; W314-M326 HydrophobicContact CH2-CE 4.02Å; W314-M326 HydrophobicContact CH2-SD 3.81Å; W314-M326 HydrophobicContact CZ3-CE 4.26Å; W314-M326 HydrophobicContact CZ3-SD 4.15Å; C322-M326 WeakPolarHBondContact O-CB 3.05Å; C322-M326 WeakPolarHBondContact O-CE 3.28Å; C322-M326 WeakPolarHBondContact O-CG 3.09Å; C322-M326 PolarHBondContact O-N 3.33Å; A323-M326 PolarHBondContact O-N 3.11Å; T324-M326 VanDerWaalsContact C-N 3.32Å; T324-M326 PolarHBondContact O-N 3.16Å; M326-L328 VanDerWaalsContact C-N 3.34Å; M326-L328 PolarHBondContact O-N 2.94Å; M326-Y329 PolarHBondContact O-N 2.67Å; M326-D330 WeakPolarHBondContact O-CB 3.46Å; M326-D330 PolarHBondContact O-N 2.76Å
327	A	94	Very high	91.7	Very high	66 Å²	66	66.9 Å²	66.9	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-44	177.7	0	0	0	0	0	111.6	A323 T324 A331	A323-A327 PolarHBondContact O-N 3.47Å; T324-A327 PolarHBondContact O-N 3.42Å; A327-A331 WeakPolarHBondContact O-CB 3.33Å; A327-A331 PolarHBondContact O-N 2.8Å
328	L	93.6	Very high	92	Very high	66 Å²	66	61.5 Å²	61.5	35%	0.346	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-39	174.2	-70.4	172.6	0	0	0	112.1	L305 T324 D325 M326 A331 Y332	L305-L328 HydrophobicContact CD2-CB 4.11Å; T324-L328 HydrophobicContact CG2-CD1 4.34Å; T324-L328 PolarHBondContact O-N 3.31Å; D325-L328 PolarHBondContact O-N 3.05Å; M326-L328 VanDerWaalsContact C-N 3.34Å; M326-L328 PolarHBondContact O-N 2.94Å; L328-A331 PolarHBondContact O-N 3.01Å; L328-Y332 WeakPolarHBondContact O-CD2 3.23Å
329	Y	95.2	Very high	92.2	Very high	46 Å²	46	60.6 Å²	60.6	18%	0.18	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-41.8	178.7	-177.3	-86.2	0	0	0	112.9	K277 L305 T307 D325 M326 A331	K277-Y329 HydrophobicContact CD-CD2 4.44Å; K277-Y329 HydrophobicContact CD-CE2 4.14Å; K277-Y329 VanDerWaalsContact CE-CZ 3.44Å; K277-Y329 WeakPolarHBondContact CE-O 3.42Å; K277-Y329 HydrophobicContact CG-CD2 3.78Å; K277-Y329 HydrophobicContact CG-CE2 3.34Å; K277-Y329 PolarHBondContact NZ-O 3.32Å; L305-Y329 HydrophobicContact CB-CD2 4.24Å; T307-Y329 HydrophobicContact CG2-CD1 4.47Å; T307-Y329 HydrophobicContact CG2-CD2 4.19Å; T307-Y329 HydrophobicContact CG2-CE1 4.11Å; T307-Y329 HydrophobicContact CG2-CE2 3.78Å; D325-Y329 WeakPolarHBondContact O-CB 3.35Å; D325-Y329 PolarHBondContact O-N 3.04Å; M326-Y329 PolarHBondContact O-N 2.67Å; Y329-A331 VanDerWaalsContact C-N 3.29Å
330	D	95.2	Very high	92.4	Very high	89 Å²	89	58.9 Å²	58.9	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-75.5	-18.2	-179	-69.6	-21.6	0	0	0	111.8	R309 M326 Y332	R309-D330 IonicContact CZ-OD2 3.66Å; R309-D330 IonicContact NH1-OD1 3.48Å; R309-D330 PolarHBondContact NH1-OD1 3.47Å; R309-D330 IonicContact NH1-OD2 3.64Å; R309-D330 IonicContact NH2-OD1 3.29Å; R309-D330 IonicContact NH2-OD2 2.64Å; R309-D330 PolarHBondContact NH2-OD2 2.78Å; M326-D330 WeakPolarHBondContact O-CB 3.46Å; M326-D330 PolarHBondContact O-N 2.76Å; D330-Y332 PolarHBondContact O-N 2.88Å
331	A	94.6	Very high	92.6	Very high	74 Å²	74	48.8 Å²	48.8	61%	0.612	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-13	-178.8	0	0	0	0	0	115.6	A327 L328 Y329	A327-A331 WeakPolarHBondContact O-CB 3.33Å; A327-A331 PolarHBondContact O-N 2.8Å; L328-A331 PolarHBondContact O-N 3.01Å; Y329-A331 VanDerWaalsContact C-N 3.29Å
332	Y	94	Very high	92.9	Very high	74 Å²	74	47 Å²	47	29%	0.29	26%	0.262	S	S	.	.	S	Bend	trans	-120.2	140.1	-177.4	-73	-102.1	0	0	0	111.1	K277 L305 L328 D330	K277-Y332 PolarHBondContact NZ-O 2.81Å; L305-Y332 HydrophobicContact CD1-CD1 4.29Å; L305-Y332 HydrophobicContact CD1-CD2 3.52Å; L305-Y332 HydrophobicContact CD1-CE2 4.3Å; L305-Y332 HydrophobicContact CD1-CG 3.51Å; L305-Y332 HydrophobicContact CD2-CD2 4.19Å; L305-Y332 HydrophobicContact CD2-CE2 4.32Å; L328-Y332 WeakPolarHBondContact O-CD2 3.23Å; D330-Y332 PolarHBondContact O-N 2.88Å
333	D	94.4	Very high	93.2	Very high	83 Å²	83	46.8 Å²	46.8	44%	0.444	26%	0.26	S	S	.	.			trans	-72.7	144.6	167.2	-179.8	-98.8	0	0	0	111.5	W335 E336 L337	D333-W335 PolarHBondContact OD1-N 3.46Å; D333-E336 HydrophobicContact CB-CB 3.83Å; D333-E336 PolarHBondContact OD1-N 2.93Å; D333-L337 VanDerWaalsContact O-CB 3.29Å; D333-L337 WeakPolarHBondContact O-CB 3.31Å; D333-L337 PolarHBondContact O-N 3.11Å
334	Y	93.6	Very high	93.5	Very high	43 Å²	43	43.6 Å²	43.6	17%	0.169	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-46.6	-176.9	-176.8	-100.5	0	0	0	112.8	K277 M338 R356 E359	K277-Y334 HydrophobicContact CB-CD2 3.94Å; K277-Y334 HydrophobicContact CB-CE2 4.16Å; K277-Y334 HydrophobicContact CD-CD2 3.94Å; K277-Y334 HydrophobicContact CG-CD2 4Å; K277-Y334 WeakPolarHBondContact O-CE2 2.79Å; Y334-M338 HydrophobicContact CD1-CE 4.25Å; Y334-M338 HydrophobicContact CE1-CE 3.4Å; Y334-M338 HydrophobicContact CE2-CE 4.31Å; Y334-M338 VanDerWaalsContact CZ-CE 3.43Å; Y334-M338 PolarHBondContact O-N 3.5Å; Y334-M338 WeakPolarHBondContact OH-CE 3.38Å; Y334-R356 VanDerWaalsContact CZ-NH1 3.33Å; Y334-R356 PolarHBondContact OH-NH1 3.33Å; Y334-E359 PolarHBondContact OH-OE2 3.24Å
335	W	91.1	Very high	93.7	Very high	62 Å²	62	39.7 Å²	39.7	24%	0.235	21%	0.21	C	C	.	.	H	α-helix	trans	-80.3	-41.3	-174.2	-70.3	110.8	0	0	0	110.7	D333 L337 M338 Y339 E359	D333-W335 PolarHBondContact OD1-N 3.46Å; W335-L337 VanDerWaalsContact C-N 3.29Å; W335-L337 PolarHBondContact O-N 3.16Å; W335-M338 HydrophobicContact CZ3-SD 4.27Å; W335-M338 PolarHBondContact O-N 3.41Å; W335-Y339 HydrophobicContact CB-CD2 4.17Å; W335-Y339 HydrophobicContact CB-CE2 3.71Å; W335-Y339 HydrophobicContact CE3-CE2 4.46Å; W335-Y339 WeakPolarHBondContact O-CD2 3.44Å; W335-Y339 PolarHBondContact O-N 3.29Å; W335-E359 HydrophobicContact CH2-CB 4.14Å; W335-E359 HydrophobicContact CH2-CG 4.23Å; W335-E359 HydrophobicContact CZ3-CB 4.43Å
336	E	90.7	Very high	93.9	Very high	121 Å²	121	39.4 Å²	39.4	57%	0.565	21%	0.208	S	C	*	.	H	α-helix	trans	-56.1	-44.5	174.6	-170.5	-176.4	172.3	0	0	111.7	D333 M338 N340	D333-E336 HydrophobicContact CB-CB 3.83Å; D333-E336 PolarHBondContact OD1-N 2.93Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 2.92Å; E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.25Å; E336-N340 PolarHBondContact O-N 3.03Å; E336-N340 PolarHBondContact O-ND2 3.44Å
337	L	93.6	Very high	93.9	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-45.8	175.4	177.8	62.9	0	0	0	111.2	Y272 K277 I303 L305 D333 W335 N340 S341	Y272-L337 HydrophobicContact CD2-CD1 3.72Å; Y272-L337 HydrophobicContact CE2-CD1 3.76Å; Y272-L337 HydrophobicContact CG-CD1 4.25Å; K277-L337 HydrophobicContact CB-CD2 4.02Å; I303-L337 HydrophobicContact CB-CD1 4.03Å; I303-L337 HydrophobicContact CG1-CD1 4.36Å; I303-L337 HydrophobicContact CG2-CD1 3.86Å; I303-L337 HydrophobicContact CG2-CD2 4.12Å; L305-L337 HydrophobicContact CD1-CD2 3.94Å; D333-L337 VanDerWaalsContact O-CB 3.29Å; D333-L337 WeakPolarHBondContact O-CB 3.31Å; D333-L337 PolarHBondContact O-N 3.11Å; W335-L337 VanDerWaalsContact C-N 3.29Å; W335-L337 PolarHBondContact O-N 3.16Å; L337-N340 PolarHBondContact O-N 2.87Å; L337-S341 PolarHBondContact O-N 2.94Å; L337-S341 PolarHBondContact O-OG 2.96Å
338	M	91.8	Very high	93.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-43.4	-176.3	-161	-179.6	-64.7	0	0	112.7	Y334 W335 E336 N340 S341 E359 V360 A363 C365	Y334-M338 HydrophobicContact CD1-CE 4.25Å; Y334-M338 HydrophobicContact CE1-CE 3.4Å; Y334-M338 HydrophobicContact CE2-CE 4.31Å; Y334-M338 VanDerWaalsContact CZ-CE 3.43Å; Y334-M338 PolarHBondContact O-N 3.5Å; Y334-M338 WeakPolarHBondContact OH-CE 3.38Å; W335-M338 HydrophobicContact CZ3-SD 4.27Å; W335-M338 PolarHBondContact O-N 3.41Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 2.92Å; M338-N340 PolarHBondContact O-N 3.16Å; M338-S341 PolarHBondContact O-N 2.81Å; M338-E359 HydrophobicContact CE-CB 4.16Å; M338-E359 HydrophobicContact SD-CB 4.38Å; M338-V360 HydrophobicContact CE-CG2 4.34Å; M338-V360 HydrophobicContact SD-CG2 4.12Å; M338-A363 HydrophobicContact CB-CB 4.21Å; M338-A363 HydrophobicContact CG-CB 3.49Å; M338-A363 VanDerWaalsContact CG-CB 3.49Å; M338-A363 HydrophobicContact SD-CB 3.38Å; M338-A363 WeakPolarHBondContact SD-CB 3.14Å; M338-C365 HydrophobicContact CG-CB 4.38Å
339	Y	88.7	Confident	93.4	Very high	25 Å²	25	34.6 Å²	34.6	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-27.4	177.3	-65.7	-48.2	0	0	0	113	Q257 W335 S341 A363	Q257-Y339 WeakPolarHBondContact CB-OH 3.31Å; W335-Y339 HydrophobicContact CB-CD2 4.17Å; W335-Y339 HydrophobicContact CB-CE2 3.71Å; W335-Y339 HydrophobicContact CE3-CE2 4.46Å; W335-Y339 WeakPolarHBondContact O-CD2 3.44Å; W335-Y339 PolarHBondContact O-N 3.29Å; Y339-S341 VanDerWaalsContact C-N 3.35Å; Y339-A363 HydrophobicContact CD1-CB 3.94Å; Y339-A363 HydrophobicContact CE1-CB 3.95Å
340	N	91.6	Very high	92.9	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	12.7	178	-73.2	-50.3	0	0	0	113.5	P271 Y272 E336 L337 M338	P271-N340 WeakPolarHBondContact CD-O 3.28Å; P271-N340 HydrophobicContact CG-CB 3.74Å; P271-N340 WeakPolarHBondContact CG-O 3.19Å; Y272-N340 HydrophobicContact CD2-CB 3.87Å; Y272-N340 WeakPolarHBondContact CD2-O 3.37Å; Y272-N340 HydrophobicContact CE2-CB 4.04Å; Y272-N340 PolarHBondContact N-O 2.98Å; Y272-N340 VanDerWaalsContact N-O 3.17Å; E336-N340 VanDerWaalsContact O-CB 3.3Å; E336-N340 WeakPolarHBondContact O-CB 3.25Å; E336-N340 PolarHBondContact O-N 3.03Å; E336-N340 PolarHBondContact O-ND2 3.44Å; L337-N340 PolarHBondContact O-N 2.87Å; M338-N340 PolarHBondContact O-N 3.16Å
341	S	94.2	Very high	92.7	Very high	1 Å²	1	34 Å²	34	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.3	-179.9	-63.3	0	0	0	0	112.6	L270 Y272 S275 L337 M338 Y339 C365	L270-S341 WeakPolarHBondContact CD1-O 3.27Å; Y272-S341 WeakPolarHBondContact O-CA 3.24Å; S275-S341 WeakPolarHBondContact CB-OG 3.26Å; S275-S341 WeakPolarHBondContact OG-CB 3.28Å; S275-S341 PolarHBondContact OG-OG 2.94Å; L337-S341 PolarHBondContact O-N 2.94Å; L337-S341 PolarHBondContact O-OG 2.96Å; M338-S341 PolarHBondContact O-N 2.81Å; Y339-S341 VanDerWaalsContact C-N 3.35Å; S341-C365 PolarHBondContact O-SG 2.85Å
342	T	94.4	Very high	92.5	Very high	10 Å²	10	30.8 Å²	30.8	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-50.2	172.9	-59.1	0	0	0	0	111.2	Y272 I366 I411	Y272-T342 PolarHBondContact O-N 3.13Å; T342-I366 PolarHBondContact O-N 3.34Å; T342-I411 HydrophobicContact CG2-CD1 4.04Å; T342-I411 HydrophobicContact CG2-CG1 4.31Å; T342-I411 HydrophobicContact CG2-CG2 3.91Å
343	F	97.4	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.4	177.4	-59.9	-81.2	0	0	0	110.5	L273 L274 S275 I366 V368 I389 L403 I406 I411	L273-F343 HydrophobicContact CD1-CD2 3.83Å; L273-F343 HydrophobicContact CD1-CE2 3.9Å; L273-F343 HydrophobicContact CG-CD2 4.43Å; L273-F343 VanDerWaalsContact O-CB 3.3Å; L273-F343 WeakPolarHBondContact O-CB 3.49Å; L273-F343 VanDerWaalsContact O-CD2 3.31Å; L273-F343 WeakPolarHBondContact O-CD2 3.21Å; L273-F343 PolarHBondContact O-N 2.91Å; L274-F343 VanDerWaalsContact CA-O 3.3Å; L274-F343 WeakPolarHBondContact CA-O 3.32Å; L274-F343 HydrophobicContact CD1-CB 3.8Å; S275-F343 PolarHBondContact N-O 2.98Å; F343-I366 CarbonylContact C-O 3.57Å; F343-I366 WeakPolarHBondContact CA-O 3.2Å; F343-I366 HydrophobicContact CD1-CB 3.62Å; F343-I366 HydrophobicContact CD1-CD1 4.15Å; F343-I366 HydrophobicContact CD1-CG1 4.47Å; F343-I366 HydrophobicContact CD1-CG2 3.77Å; F343-I366 HydrophobicContact CE1-CB 3.95Å; F343-I366 HydrophobicContact CE1-CD1 3.68Å; F343-I366 HydrophobicContact CE1-CG1 4.43Å; F343-I366 HydrophobicContact CE1-CG2 3.87Å; F343-I366 HydrophobicContact CZ-CD1 4.21Å; F343-V368 HydrophobicContact CB-CG2 3.76Å; F343-V368 HydrophobicContact CD1-CG2 4.01Å; F343-V368 HydrophobicContact CG-CG2 4.23Å; F343-I389 HydrophobicContact CD1-CG1 4.27Å; F343-I389 HydrophobicContact CE1-CG1 4.03Å; F343-L403 HydrophobicContact CB-CD1 4.21Å; F343-L403 HydrophobicContact CD1-CD2 3.91Å; F343-L403 HydrophobicContact CD2-CB 4.23Å; F343-L403 HydrophobicContact CD2-CD1 4.32Å; F343-L403 HydrophobicContact CD2-CD2 4.24Å; F343-L403 HydrophobicContact CD2-CG 4.5Å; F343-L403 HydrophobicContact CE1-CD2 4.1Å; F343-L403 HydrophobicContact CE2-CB 4.24Å; F343-L403 HydrophobicContact CE2-CD2 4.4Å; F343-L403 HydrophobicContact CG-CD1 4.26Å; F343-L403 HydrophobicContact CG-CD2 4.01Å; F343-L403 HydrophobicContact CZ-CD2 4.35Å; F343-I406 HydrophobicContact CE1-CD1 3.83Å; F343-I406 HydrophobicContact CZ-CB 4.16Å; F343-I406 HydrophobicContact CZ-CD1 3.69Å; F343-I406 HydrophobicContact CZ-CG1 4.48Å; F343-I406 HydrophobicContact CZ-CG2 4.24Å; F343-I411 HydrophobicContact CE2-CD1 4.39Å; F343-I411 HydrophobicContact CZ-CD1 4.32Å; F343-I411 HydrophobicContact CZ-CG1 3.99Å
344	C	97.4	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.7	178.8	-69.5	0	0	0	0	109.4	V346 V360 C365 I366 V368	C344-V346 PolarHBondContact O-N 2.79Å; C344-V360 HydrophobicContact CB-CB 4.23Å; C344-V360 HydrophobicContact CB-CG1 3.73Å; C344-V360 HydrophobicContact CB-CG2 3.43Å; C344-V360 VanDerWaalsContact CB-CG2 3.43Å; C344-C365 VanDerWaalsContact CA-SG 3.56Å; C344-C365 HydrophobicContact CB-CB 3.89Å; C344-C365 WeakPolarHBondContact CB-SG 3.4Å; C344-C365 PolarHBondContact N-SG 3.13Å; C344-C365 WeakPolarHBondContact SG-CB 3.48Å; C344-C365 CovalentContact SG-SG 2.03Å; C344-C365 PolarHBondContact SG-SG 2.77Å; C344-I366 PolarHBondContact N-O 2.87Å; C344-V368 PolarHBondContact O-N 3.42Å
345	L	97.5	Very high	92.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.5	-179.2	-165.7	68.2	0	0	0	110.1	L274 S275 F276 L293 M304 P347 R356 V368 L370 L399	L274-L345 HydrophobicContact CD1-CB 4.14Å; S275-L345 PolarHBondContact O-N 3.37Å; F276-L345 HydrophobicContact CB-CB 4.17Å; F276-L345 HydrophobicContact CB-CD2 4.48Å; F276-L345 HydrophobicContact CD2-CB 4.42Å; L293-L345 HydrophobicContact CD1-CD2 4.09Å; L293-L345 HydrophobicContact CD2-CD2 3.42Å; L293-L345 VanDerWaalsContact CD2-CD2 3.42Å; L293-L345 HydrophobicContact CG-CD2 4.38Å; M304-L345 HydrophobicContact CE-CD2 4.34Å; M304-L345 HydrophobicContact SD-CD2 4.19Å; L345-P347 VanDerWaalsContact C-CD 3.49Å; L345-P347 WeakPolarHBondContact O-CD 3.4Å; L345-R356 VanDerWaalsContact O-CD 3.26Å; L345-R356 WeakPolarHBondContact O-CD 3.41Å; L345-R356 PolarHBondContact O-NE 3.4Å; L345-V368 HydrophobicContact CD1-CB 4.06Å; L345-V368 HydrophobicContact CD1-CG1 3.83Å; L345-L370 HydrophobicContact CD1-CB 4.09Å; L345-L370 HydrophobicContact CD1-CD2 4.38Å; L345-L370 HydrophobicContact CD2-CD2 4.37Å; L345-L399 HydrophobicContact CD1-CD1 3.71Å
346	V	96	Very high	92.5	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	80	175.3	-172.8	0	0	0	0	108.1	C344 F357 V360 P367 V368 M369 L370	C344-V346 PolarHBondContact O-N 2.79Å; V346-F357 HydrophobicContact CG1-CB 4.16Å; V346-V360 HydrophobicContact CG2-CB 4.36Å; V346-V360 HydrophobicContact CG2-CG2 4Å; V346-P367 HydrophobicContact CG2-CB 4.04Å; V346-V368 PolarHBondContact N-O 2.78Å; V346-M369 HydrophobicContact CB-CE 4.25Å; V346-M369 HydrophobicContact CB-SD 3.6Å; V346-M369 HydrophobicContact CG1-CE 3.87Å; V346-M369 HydrophobicContact CG1-SD 3.75Å; V346-M369 HydrophobicContact CG2-SD 4.12Å; V346-L370 PolarHBondContact O-N 3.19Å
347	P	93.7	Very high	92.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	158.5	177.4	33.6	-34.3	0	0	0	111.5	F276 L293 L345 L370	F276-P347 HydrophobicContact CD2-CG 3.88Å; F276-P347 VanDerWaalsContact CE2-CD 3.43Å; F276-P347 HydrophobicContact CE2-CG 3.32Å; F276-P347 HydrophobicContact CZ-CG 3.75Å; L293-P347 HydrophobicContact CD1-CG 4.31Å; L345-P347 VanDerWaalsContact C-CD 3.49Å; L345-P347 WeakPolarHBondContact O-CD 3.4Å; P347-L370 CarbonylContact C-O 3.54Å; P347-L370 WeakPolarHBondContact CA-O 3.4Å; P347-L370 HydrophobicContact CB-CB 4.39Å; P347-L370 HydrophobicContact CB-CD2 4.4Å
348	R	90	Very high	93	Very high	60 Å²	60	18.5 Å²	18.5	23%	0.226	8%	0.081	C	C	.	.			trans	-43.9	140.7	172.7	-163.5	175.2	-162.6	-164.8	6.9	112.5	R290 R351 L352 L370	R290-R348 PolarHBondContact NE-O 3.16Å; R290-R348 VanDerWaalsContact NE-O 3.16Å; R290-R348 PolarHBondContact NH2-O 3.2Å; R290-R348 VanDerWaalsContact NH2-O 3.08Å; R348-R351 WeakPolarHBondContact CG-O 3.22Å; R348-L352 VanDerWaalsContact NH2-CD2 3.34Å; R348-L370 PolarHBondContact N-O 2.97Å
349	G	86.9	Confident	93.1	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	9%	0.089	C	C	.	.			trans	-91	-152.7	175.4	0	0	0	0	0	112.6	R351	G349-R351 CarbonylContact C-O 3.53Å; G349-R351 VanDerWaalsContact C-O 3.25Å; G349-R351 WeakPolarHBondContact CA-O 3.46Å; G349-R351 PolarHBondContact N-O 3.44Å; G349-R351 PolarHBondContact O-N 3.48Å
350	R	84.7	Confident	93.4	Very high	86 Å²	86	19 Å²	19	33%	0.325	8%	0.084	S	C	.	.	S	Bend	trans	-63.9	-29.4	164.2	-72.6	166.6	71.7	122.9	-17.6	111.1	Y207 Y281 H310	Y207-R350 HydrophobicContact CD2-CB 4.46Å; Y207-R350 WeakPolarHBondContact CD2-O 3.41Å; Y207-R350 HydrophobicContact CE2-CB 3.96Å; Y207-R350 HydrophobicContact CE2-CG 4.47Å; Y207-R350 PolarHBondContact OH-NE 3.5Å; Y207-R350 PolarHBondContact OH-NH2 2.99Å; Y281-R350 HydrophobicContact CE1-CG 4.14Å; H310-R350 PolarHBondContact CE1-NH1 2.9Å; H310-R350 PolarHBondContact NE2-NH1 2.88Å
351	R	90.2	Very high	93.5	Very high	36 Å²	36	17.7 Å²	17.7	14%	0.136	8%	0.077	C	C	.	.	S	Bend	trans	-116.1	-174.3	171.2	-63.8	169	-178	100.4	3.8	108.3	D146 A201 G202 Y207 R348 G349	D146-R351 IonicContact OD2-NH2 3.34Å; A201-R351 PolarHBondContact O-NE 3.47Å; A201-R351 PolarHBondContact O-NH2 2.91Å; G202-R351 PolarHBondContact O-NH2 2.95Å; Y207-R351 HydrophobicContact CD1-CG 4.37Å; Y207-R351 HydrophobicContact CG-CG 4.31Å; R348-R351 WeakPolarHBondContact CG-O 3.22Å; G349-R351 CarbonylContact C-O 3.53Å; G349-R351 VanDerWaalsContact C-O 3.25Å; G349-R351 WeakPolarHBondContact CA-O 3.46Å; G349-R351 PolarHBondContact N-O 3.44Å; G349-R351 PolarHBondContact O-N 3.48Å
352	L	91.5	Very high	93.2	Very high	6 Å²	6	18 Å²	18	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	-60.4	-46.2	175.2	-70.7	167.7	0	0	0	112.6	E209 R348 S371 N372 L374	E209-L352 WeakPolarHBondContact OE1-CD1 3.33Å; R348-L352 VanDerWaalsContact NH2-CD2 3.34Å; L352-S371 PolarHBondContact O-OG 3.11Å; L352-S371 VanDerWaalsContact O-OG 3.12Å; L352-N372 VanDerWaalsContact CD2-O 3.27Å; L352-N372 WeakPolarHBondContact CD2-O 3.28Å; L352-L374 HydrophobicContact CB-CB 4.29Å; L352-L374 HydrophobicContact CB-CD1 3.78Å
353	G	92.3	Very high	92.9	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	8%	0.078	C	C	.	.			trans	-77.5	157.6	179.6	0	0	0	0	0	114	S225	S225-G353 VanDerWaalsContact OG-CA 3.29Å; S225-G353 WeakPolarHBondContact OG-CA 3.36Å; S225-G353 PolarHBondContact OG-N 2.69Å
354	S	92.3	Very high	92.4	Very high	17 Å²	17	17.9 Å²	17.9	12%	0.119	8%	0.079	C	C	.	.			trans	-138.1	138.4	178.4	-178.9	0	0	0	0	110.1	R356 F357	S354-R356 PolarHBondContact O-N 2.79Å; S354-R356 VanDerWaalsContact O-N 3.14Å; S354-R356 WeakPolarHBondContact OG-CB 3.27Å; S354-R356 PolarHBondContact OG-N 3.41Å; S354-F357 WeakPolarHBondContact O-CB 3.24Å; S354-F357 PolarHBondContact O-N 3.01Å
355	Y	94.3	Very high	92	Very high	85 Å²	85	18 Å²	18	33%	0.333	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	174.1	-64.8	-66.4	0	0	0	112.2	H200 L241 I242 H243 F357 L358 E359	H200-Y355 PolarHBondContact CE1-OH 3.07Å; H200-Y355 PolarHBondContact NE2-OH 3.28Å; L241-Y355 HydrophobicContact CB-CD1 4.26Å; L241-Y355 HydrophobicContact CB-CE1 4.47Å; L241-Y355 HydrophobicContact CD1-CE1 4.41Å; L241-Y355 HydrophobicContact CD2-CD1 3.87Å; L241-Y355 HydrophobicContact CD2-CD2 4.01Å; L241-Y355 HydrophobicContact CD2-CE1 3.81Å; L241-Y355 HydrophobicContact CD2-CE2 3.95Å; L241-Y355 HydrophobicContact CD2-CG 3.98Å; L241-Y355 HydrophobicContact CG-CD1 3.71Å; L241-Y355 HydrophobicContact CG-CE1 3.52Å; L241-Y355 HydrophobicContact CG-CG 4.32Å; L241-Y355 WeakPolarHBondContact O-CD1 3.26Å; I242-Y355 WeakPolarHBondContact O-CE1 3.43Å; H243-Y355 HydrophobicContact CB-CD1 3.8Å; H243-Y355 HydrophobicContact CB-CE1 3.98Å; H243-Y355 HydrophobicContact CB-CG 4.47Å; Y355-F357 PolarHBondContact O-N 2.91Å; Y355-L358 PolarHBondContact O-N 3.08Å; Y355-L358 VanDerWaalsContact O-N 3.16Å; Y355-E359 PolarHBondContact O-N 2.8Å
356	R	94.3	Very high	92	Very high	10 Å²	10	18 Å²	18	4%	0.038	8%	0.079	C	C	.	.	H	α-helix	trans	-55.7	-25.5	176.9	-169.1	172	-176.8	84	2.4	113.4	K277 Y334 L345 S354 E359 V360	K277-R356 PolarHBondContact O-NH1 3.43Å; Y334-R356 VanDerWaalsContact CZ-NH1 3.33Å; Y334-R356 PolarHBondContact OH-NH1 3.33Å; L345-R356 VanDerWaalsContact O-CD 3.26Å; L345-R356 WeakPolarHBondContact O-CD 3.41Å; L345-R356 PolarHBondContact O-NE 3.4Å; S354-R356 PolarHBondContact O-N 2.79Å; S354-R356 VanDerWaalsContact O-N 3.14Å; S354-R356 WeakPolarHBondContact OG-CB 3.27Å; S354-R356 PolarHBondContact OG-N 3.41Å; R356-E359 WeakPolarHBondContact CA-OE2 2.98Å; R356-E359 PolarHBondContact O-N 3.05Å; R356-V360 HydrophobicContact CG-CG2 3.87Å; R356-V360 WeakPolarHBondContact O-CB 3Å; R356-V360 WeakPolarHBondContact O-CG2 3.48Å; R356-V360 PolarHBondContact O-N 3.1Å
357	F	97.2	Very high	92	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.039	8%	0.079	C	C	.	.	H	α-helix	trans	-58	-50.9	177	-178.3	-106.6	0	0	0	111.7	V346 S354 Y355 L361 M369 L376 P377 W384 V388	V346-F357 HydrophobicContact CG1-CB 4.16Å; S354-F357 WeakPolarHBondContact O-CB 3.24Å; S354-F357 PolarHBondContact O-N 3.01Å; Y355-F357 PolarHBondContact O-N 2.91Å; F357-L361 HydrophobicContact CD1-CD1 4.16Å; F357-L361 HydrophobicContact CE1-CD1 3.68Å; F357-L361 HydrophobicContact CE2-CD1 4.47Å; F357-L361 HydrophobicContact CZ-CD1 3.88Å; F357-L361 WeakPolarHBondContact O-CG 3.48Å; F357-L361 PolarHBondContact O-N 3Å; F357-M369 HydrophobicContact CD2-CE 4.17Å; F357-M369 HydrophobicContact CD2-SD 3.66Å; F357-M369 HydrophobicContact CE2-SD 3.95Å; F357-L376 HydrophobicContact CD2-CD2 4.39Å; F357-L376 HydrophobicContact CE2-CD2 3.75Å; F357-L376 HydrophobicContact CZ-CD2 3.92Å; F357-P377 HydrophobicContact CD1-CG 4.31Å; F357-P377 HydrophobicContact CE1-CG 3.73Å; F357-P377 HydrophobicContact CZ-CG 4.48Å; F357-W384 AromaticContact CE1-CH2 3.98Å; F357-W384 HydrophobicContact CE1-CH2 3.98Å; F357-W384 HydrophobicContact CE1-CZ2 4.38Å; F357-W384 HydrophobicContact CE2-CZ3 4.41Å; F357-W384 HydrophobicContact CZ-CE3 4.24Å; F357-W384 AromaticContact CZ-CH2 3.5Å; F357-W384 HydrophobicContact CZ-CH2 3.5Å; F357-W384 HydrophobicContact CZ-CZ2 4Å; F357-W384 AromaticContact CZ-CZ3 3.64Å; F357-W384 HydrophobicContact CZ-CZ3 3.64Å; F357-V388 HydrophobicContact CE2-CG2 4.37Å
358	L	95.9	Very high	92.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-41.1	178.3	-70.9	-178.9	0	0	0	111.9	P240 I242 Y355 V360 L361 Q362 W422 L426	P240-L358 HydrophobicContact CB-CD1 3.92Å; P240-L358 HydrophobicContact CB-CD2 3.59Å; P240-L358 HydrophobicContact CB-CG 3.81Å; P240-L358 HydrophobicContact CG-CD1 4.24Å; P240-L358 HydrophobicContact CG-CD2 4.09Å; I242-L358 HydrophobicContact CG1-CD1 4.37Å; Y355-L358 PolarHBondContact O-N 3.08Å; Y355-L358 VanDerWaalsContact O-N 3.16Å; L358-V360 VanDerWaalsContact C-N 3.31Å; L358-V360 PolarHBondContact O-N 3.47Å; L358-L361 PolarHBondContact O-N 3.32Å; L358-Q362 WeakPolarHBondContact O-CB 3.31Å; L358-Q362 PolarHBondContact O-N 3.08Å; L358-W422 HydrophobicContact CB-CZ3 4.18Å; L358-W422 HydrophobicContact CD2-CZ3 4.17Å; L358-W422 WeakPolarHBondContact O-CZ3 3.3Å; L358-L426 HydrophobicContact CD2-CB 3.97Å; L358-L426 HydrophobicContact CD2-CD1 4.4Å; L358-L426 HydrophobicContact CD2-CD2 4.23Å; L358-L426 HydrophobicContact CD2-CG 4.44Å
359	E	94.3	Very high	92.6	Very high	35 Å²	35	15.1 Å²	15.1	16%	0.164	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-39.4	-180	-61.7	163.2	-178.1	0	0	111.9	Y334 W335 M338 Y355 R356 Q362 A363	Y334-E359 PolarHBondContact OH-OE2 3.24Å; W335-E359 HydrophobicContact CH2-CB 4.14Å; W335-E359 HydrophobicContact CH2-CG 4.23Å; W335-E359 HydrophobicContact CZ3-CB 4.43Å; M338-E359 HydrophobicContact CE-CB 4.16Å; M338-E359 HydrophobicContact SD-CB 4.38Å; Y355-E359 PolarHBondContact O-N 2.8Å; R356-E359 WeakPolarHBondContact CA-OE2 2.98Å; R356-E359 PolarHBondContact O-N 3.05Å; E359-Q362 WeakPolarHBondContact O-CB 3.23Å; E359-Q362 PolarHBondContact O-N 2.8Å; E359-A363 WeakPolarHBondContact O-CB 3.12Å; E359-A363 PolarHBondContact O-N 3Å
360	V	95.1	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.8	-43.2	177	164.9	0	0	0	0	111.7	M338 C344 V346 R356 L358 A363 G364 C365 P367	M338-V360 HydrophobicContact CE-CG2 4.34Å; M338-V360 HydrophobicContact SD-CG2 4.12Å; C344-V360 HydrophobicContact CB-CB 4.23Å; C344-V360 HydrophobicContact CB-CG1 3.73Å; C344-V360 HydrophobicContact CB-CG2 3.43Å; C344-V360 VanDerWaalsContact CB-CG2 3.43Å; V346-V360 HydrophobicContact CG2-CB 4.36Å; V346-V360 HydrophobicContact CG2-CG2 4Å; R356-V360 HydrophobicContact CG-CG2 3.87Å; R356-V360 WeakPolarHBondContact O-CB 3Å; R356-V360 WeakPolarHBondContact O-CG2 3.48Å; R356-V360 PolarHBondContact O-N 3.1Å; L358-V360 VanDerWaalsContact C-N 3.31Å; L358-V360 PolarHBondContact O-N 3.47Å; V360-A363 PolarHBondContact O-N 3.08Å; V360-G364 PolarHBondContact O-N 3.22Å; V360-G364 VanDerWaalsContact O-N 3.09Å; V360-C365 HydrophobicContact CG1-CB 4.11Å; V360-C365 WeakPolarHBondContact CG1-O 3.49Å; V360-C365 PolarHBondContact O-N 3.32Å; V360-C365 VanDerWaalsContact O-N 3.17Å; V360-P367 HydrophobicContact CG1-CB 3.77Å; V360-P367 HydrophobicContact CG1-CG 4.41Å
361	L	93.1	Very high	93.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.1	-43.7	175.5	-64.5	176.3	0	0	0	111.2	F357 L358 A363 G364 P367 W384 V418 W422 L426	F357-L361 HydrophobicContact CD1-CD1 4.16Å; F357-L361 HydrophobicContact CE1-CD1 3.68Å; F357-L361 HydrophobicContact CE2-CD1 4.47Å; F357-L361 HydrophobicContact CZ-CD1 3.88Å; F357-L361 WeakPolarHBondContact O-CG 3.48Å; F357-L361 PolarHBondContact O-N 3Å; L358-L361 PolarHBondContact O-N 3.32Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.29Å; L361-G364 PolarHBondContact O-N 3.05Å; L361-P367 HydrophobicContact CD2-CG 4.09Å; L361-W384 HydrophobicContact CD1-CH2 4.24Å; L361-W384 HydrophobicContact CD1-CZ3 4.42Å; L361-V418 HydrophobicContact CB-CG1 4.43Å; L361-V418 HydrophobicContact CD2-CB 4.27Å; L361-V418 HydrophobicContact CD2-CG1 3.68Å; L361-V418 HydrophobicContact CD2-CG2 3.99Å; L361-W422 HydrophobicContact CB-CB 4.26Å; L361-W422 HydrophobicContact CB-CD2 4.45Å; L361-W422 HydrophobicContact CB-CE3 3.89Å; L361-L426 HydrophobicContact CD1-CD1 3.52Å
362	Q	89	Confident	93.4	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-57	-43.1	174.5	-176.2	-174.7	3.1	0	0	111.8	R265 L358 E359 G364 W422	R265-Q362 PolarHBondContact NH2-O 3.24Å; L358-Q362 WeakPolarHBondContact O-CB 3.31Å; L358-Q362 PolarHBondContact O-N 3.08Å; E359-Q362 WeakPolarHBondContact O-CB 3.23Å; E359-Q362 PolarHBondContact O-N 2.8Å; Q362-G364 PolarHBondContact O-N 2.49Å; Q362-W422 HydrophobicContact CB-CD2 4.18Å; Q362-W422 HydrophobicContact CB-CE3 4.27Å; Q362-W422 HydrophobicContact CB-CH2 3.61Å; Q362-W422 HydrophobicContact CB-CZ2 3.51Å; Q362-W422 HydrophobicContact CB-CZ3 4Å; Q362-W422 HydrophobicContact CG-CH2 3.95Å; Q362-W422 HydrophobicContact CG-CZ2 3.48Å; Q362-W422 VanDerWaalsContact CG-CZ2 3.48Å
363	A	87.5	Confident	93.5	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-70.7	-20	177.1	0	0	0	0	0	113.5	M338 Y339 E359 V360 L361 C365	M338-A363 HydrophobicContact CB-CB 4.21Å; M338-A363 HydrophobicContact CG-CB 3.49Å; M338-A363 VanDerWaalsContact CG-CB 3.49Å; M338-A363 HydrophobicContact SD-CB 3.38Å; M338-A363 WeakPolarHBondContact SD-CB 3.14Å; Y339-A363 HydrophobicContact CD1-CB 3.94Å; Y339-A363 HydrophobicContact CE1-CB 3.95Å; E359-A363 WeakPolarHBondContact O-CB 3.12Å; E359-A363 PolarHBondContact O-N 3Å; V360-A363 PolarHBondContact O-N 3.08Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.29Å; A363-C365 VanDerWaalsContact C-N 3.29Å; A363-C365 HydrophobicContact CB-CB 4.5Å
364	G	86.2	Confident	93.6	Very high	2 Å²	2	15 Å²	15	2%	0.021	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	22.7	-173.7	0	0	0	0	0	115.1	V360 L361 Q362	V360-G364 PolarHBondContact O-N 3.22Å; V360-G364 VanDerWaalsContact O-N 3.09Å; L361-G364 PolarHBondContact O-N 3.05Å; Q362-G364 PolarHBondContact O-N 2.49Å
365	C	90.7	Very high	93.8	Very high	2 Å²	2	16 Å²	16	1%	0.014	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-85.6	143.7	171.5	-171.9	0	0	0	0	108.8	M338 S341 C344 V360 A363 P367	M338-C365 HydrophobicContact CG-CB 4.38Å; S341-C365 PolarHBondContact O-SG 2.85Å; C344-C365 VanDerWaalsContact CA-SG 3.56Å; C344-C365 HydrophobicContact CB-CB 3.89Å; C344-C365 WeakPolarHBondContact CB-SG 3.4Å; C344-C365 PolarHBondContact N-SG 3.13Å; C344-C365 WeakPolarHBondContact SG-CB 3.48Å; C344-C365 CovalentContact SG-SG 2.03Å; C344-C365 PolarHBondContact SG-SG 2.77Å; V360-C365 HydrophobicContact CG1-CB 4.11Å; V360-C365 WeakPolarHBondContact CG1-O 3.49Å; V360-C365 PolarHBondContact O-N 3.32Å; V360-C365 VanDerWaalsContact O-N 3.17Å; A363-C365 VanDerWaalsContact C-N 3.29Å; A363-C365 HydrophobicContact CB-CB 4.5Å; C365-P367 VanDerWaalsContact O-CD 3.24Å; C365-P367 WeakPolarHBondContact O-CD 3.39Å
366	I	95.9	Very high	94	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.8	-178.5	-58.1	168	0	0	0	108.9	T342 F343 C344 V368 I389 I411 Y414 R415	T342-I366 PolarHBondContact O-N 3.34Å; F343-I366 CarbonylContact C-O 3.57Å; F343-I366 WeakPolarHBondContact CA-O 3.2Å; F343-I366 HydrophobicContact CD1-CB 3.62Å; F343-I366 HydrophobicContact CD1-CD1 4.15Å; F343-I366 HydrophobicContact CD1-CG1 4.47Å; F343-I366 HydrophobicContact CD1-CG2 3.77Å; F343-I366 HydrophobicContact CE1-CB 3.95Å; F343-I366 HydrophobicContact CE1-CD1 3.68Å; F343-I366 HydrophobicContact CE1-CG1 4.43Å; F343-I366 HydrophobicContact CE1-CG2 3.87Å; F343-I366 HydrophobicContact CZ-CD1 4.21Å; C344-I366 PolarHBondContact N-O 2.87Å; I366-V368 PolarHBondContact O-N 3.11Å; I366-I389 HydrophobicContact CG2-CG1 4.03Å; I366-I411 HydrophobicContact CD1-CB 4.34Å; I366-I411 HydrophobicContact CD1-CG1 4.37Å; I366-I411 HydrophobicContact CD1-CG2 4Å; I366-Y414 HydrophobicContact CD1-CG 4.35Å; I366-Y414 HydrophobicContact CG2-CG 4.33Å; I366-R415 HydrophobicContact CD1-CG 4Å; I366-R415 HydrophobicContact CG1-CG 3.8Å
367	P	97.8	Very high	94.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.8	179.6	26.5	-34.4	0	0	0	112	V346 V360 L361 C365 M369 A387 V388 I389	V346-P367 HydrophobicContact CG2-CB 4.04Å; V360-P367 HydrophobicContact CG1-CB 3.77Å; V360-P367 HydrophobicContact CG1-CG 4.41Å; L361-P367 HydrophobicContact CD2-CG 4.09Å; C365-P367 VanDerWaalsContact O-CD 3.24Å; C365-P367 WeakPolarHBondContact O-CD 3.39Å; P367-M369 HydrophobicContact CB-SD 4.37Å; P367-A387 WeakPolarHBondContact CD-O 3.45Å; P367-A387 WeakPolarHBondContact CG-O 3.48Å; P367-V388 HydrophobicContact CB-CG2 4.33Å; P367-V388 HydrophobicContact CG-CB 4.35Å; P367-V388 HydrophobicContact CG-CG2 3.55Å; P367-I389 PolarHBondContact O-N 3.14Å
368	V	98.1	Very high	94.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	102.7	168.6	-177.9	0	0	0	0	107.8	L274 F343 C344 L345 V346 I366 L370 I389 A391 L399 L403	L274-V368 HydrophobicContact CD1-CB 4.48Å; L274-V368 HydrophobicContact CD1-CG2 4.08Å; F343-V368 HydrophobicContact CB-CG2 3.76Å; F343-V368 HydrophobicContact CD1-CG2 4.01Å; F343-V368 HydrophobicContact CG-CG2 4.23Å; C344-V368 PolarHBondContact O-N 3.42Å; L345-V368 HydrophobicContact CD1-CB 4.06Å; L345-V368 HydrophobicContact CD1-CG1 3.83Å; V346-V368 PolarHBondContact N-O 2.78Å; I366-V368 PolarHBondContact O-N 3.11Å; V368-L370 PolarHBondContact O-N 3.29Å; V368-I389 CarbonylContact C-O 3.48Å; V368-I389 VanDerWaalsContact CA-O 3.32Å; V368-I389 WeakPolarHBondContact CA-O 3.18Å; V368-I389 HydrophobicContact CG1-CG2 4.48Å; V368-I389 HydrophobicContact CG2-CB 4.17Å; V368-A391 HydrophobicContact CG1-CB 4.14Å; V368-L399 HydrophobicContact CG1-CD2 3.64Å; V368-L403 HydrophobicContact CG2-CD1 4.22Å; V368-L403 HydrophobicContact CG2-CD2 3.89Å
369	M	96.7	Very high	94.2	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.015	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.9	-175.7	-64.1	-56	-61	0	0	110.4	V346 F357 P367 L374 L376 V388 I389 W390 A391	V346-M369 HydrophobicContact CB-CE 4.25Å; V346-M369 HydrophobicContact CB-SD 3.6Å; V346-M369 HydrophobicContact CG1-CE 3.87Å; V346-M369 HydrophobicContact CG1-SD 3.75Å; V346-M369 HydrophobicContact CG2-SD 4.12Å; F357-M369 HydrophobicContact CD2-CE 4.17Å; F357-M369 HydrophobicContact CD2-SD 3.66Å; F357-M369 HydrophobicContact CE2-SD 3.95Å; P367-M369 HydrophobicContact CB-SD 4.37Å; M369-L374 HydrophobicContact CE-CD2 3.47Å; M369-L374 VanDerWaalsContact CE-CD2 3.47Å; M369-L376 HydrophobicContact CE-CD2 3.98Å; M369-L376 HydrophobicContact SD-CD2 4.47Å; M369-V388 HydrophobicContact CB-CG1 4.04Å; M369-V388 HydrophobicContact CG-CB 4.49Å; M369-V388 HydrophobicContact CG-CG1 3.29Å; M369-V388 HydrophobicContact CG-CG2 4.39Å; M369-I389 PolarHBondContact N-O 3.13Å; M369-W390 HydrophobicContact CB-CD2 4.36Å; M369-W390 HydrophobicContact CB-CE3 3.74Å; M369-W390 HydrophobicContact CB-CZ3 3.92Å; M369-W390 HydrophobicContact CG-CZ3 4.47Å; M369-A391 PolarHBondContact O-N 3.44Å; M369-A391 VanDerWaalsContact O-O 3.14Å
370	L	93.9	Very high	94.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	63.7	176.1	-167.3	74.8	0	0	0	108.7	L293 L345 V346 P347 R348 V368 A391 D392 E393 P396	L293-L370 HydrophobicContact CD2-CD2 4.26Å; L345-L370 HydrophobicContact CD1-CB 4.09Å; L345-L370 HydrophobicContact CD1-CD2 4.38Å; L345-L370 HydrophobicContact CD2-CD2 4.37Å; V346-L370 PolarHBondContact O-N 3.19Å; P347-L370 CarbonylContact C-O 3.54Å; P347-L370 WeakPolarHBondContact CA-O 3.4Å; P347-L370 HydrophobicContact CB-CB 4.39Å; P347-L370 HydrophobicContact CB-CD2 4.4Å; R348-L370 PolarHBondContact N-O 2.97Å; V368-L370 PolarHBondContact O-N 3.29Å; L370-A391 HydrophobicContact CD1-CB 3.88Å; L370-D392 WeakPolarHBondContact CD1-O 3.32Å; L370-E393 HydrophobicContact CD1-CG 4.44Å; L370-E393 HydrophobicContact CG-CG 4.11Å; L370-P396 HydrophobicContact CD2-CB 4.21Å
371	S	92.8	Very high	94.3	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.086	C	C	.	.			trans	-151.2	98.1	177.9	-179.9	0	0	0	0	108.1	L352	L352-S371 PolarHBondContact O-OG 3.11Å; L352-S371 VanDerWaalsContact O-OG 3.12Å
372	N	92.4	Very high	94.5	Very high	49 Å²	49	16.2 Å²	16.2	26%	0.262	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	151.3	-179.1	-67.4	-1.5	0	0	0	109.8	L352 L374 D392 E393	L352-N372 VanDerWaalsContact CD2-O 3.27Å; L352-N372 WeakPolarHBondContact CD2-O 3.28Å; N372-L374 PolarHBondContact O-N 2.94Å; N372-L374 VanDerWaalsContact O-N 3.09Å; N372-D392 PolarHBondContact ND2-OD1 3.05Å; N372-E393 PolarHBondContact N-OE2 3.18Å; N372-E393 PolarHBondContact OD1-N 2.85Å; N372-E393 VanDerWaalsContact OD1-N 3.09Å
373	D	92.9	Very high	94.9	Very high	71 Å²	71	17.5 Å²	17.5	38%	0.38	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	3.4	179.5	-54.6	-30.8	0	0	0	116.4	S227 T228 K229 E375	S227-D373 CarbonylContact C-O 3.54Å; S227-D373 VanDerWaalsContact CA-O 3.24Å; S227-D373 WeakPolarHBondContact CA-O 3.45Å; T228-D373 WeakPolarHBondContact CG2-O 3.28Å; T228-D373 PolarHBondContact N-O 3.06Å; K229-D373 WeakPolarHBondContact CE-OD2 3.47Å; K229-D373 IonicContact NZ-OD2 3.96Å; K229-D373 PolarHBondContact NZ-OD2 3.25Å; D373-E375 PolarHBondContact O-N 3.5Å
374	L	95.4	Very high	95.4	Very high	17 Å²	17	18 Å²	18	9%	0.089	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126	177.7	172.7	65.3	0	0	0	111.5	L352 M369 N372 L376	L352-L374 HydrophobicContact CB-CB 4.29Å; L352-L374 HydrophobicContact CB-CD1 3.78Å; M369-L374 HydrophobicContact CE-CD2 3.47Å; M369-L374 VanDerWaalsContact CE-CD2 3.47Å; N372-L374 PolarHBondContact O-N 2.94Å; N372-L374 VanDerWaalsContact O-N 3.09Å; L374-L376 HydrophobicContact CD2-CD2 4.12Å; L374-L376 HydrophobicContact CG-CD2 4.49Å
375	E	96.7	Very high	95.9	Very high	38 Å²	38	22.9 Å²	22.9	18%	0.178	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.8	168.3	-167.4	67.7	-155.9	0	0	109.7	F226 T228 F231 S238 D373 S379	F226-E375 HydrophobicContact CB-CB 3.73Å; F226-E375 PolarHBondContact O-N 3.05Å; T228-E375 WeakPolarHBondContact CG2-OE2 3.47Å; F231-E375 HydrophobicContact CD1-CG 3.86Å; F231-E375 HydrophobicContact CD2-CG 4.26Å; F231-E375 HydrophobicContact CE1-CG 4Å; F231-E375 HydrophobicContact CE2-CG 4.39Å; F231-E375 HydrophobicContact CG-CG 3.99Å; F231-E375 HydrophobicContact CZ-CG 4.27Å; S238-E375 PolarHBondContact OG-O 2.9Å; D373-E375 PolarHBondContact O-N 3.5Å; E375-S379 WeakPolarHBondContact OE1-CB 3.03Å; E375-S379 PolarHBondContact OE1-OG 3.31Å
376	L	97.8	Very high	96.1	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-73.1	156.6	-178.8	-73.8	178.8	0	0	0	112.5	S238 F357 M369 L374 F378 S379 W384 V388 W390	S238-L376 VanDerWaalsContact CB-O 3.28Å; S238-L376 WeakPolarHBondContact CB-O 3.42Å; S238-L376 PolarHBondContact OG-O 3.37Å; F357-L376 HydrophobicContact CD2-CD2 4.39Å; F357-L376 HydrophobicContact CE2-CD2 3.75Å; F357-L376 HydrophobicContact CZ-CD2 3.92Å; M369-L376 HydrophobicContact CE-CD2 3.98Å; M369-L376 HydrophobicContact SD-CD2 4.47Å; L374-L376 HydrophobicContact CD2-CD2 4.12Å; L374-L376 HydrophobicContact CG-CD2 4.49Å; L376-F378 PolarHBondContact O-N 2.93Å; L376-S379 WeakPolarHBondContact O-CB 3.48Å; L376-S379 PolarHBondContact O-N 3.35Å; L376-S379 PolarHBondContact O-OG 2.8Å; L376-W384 VanDerWaalsContact CB-CD1 3.43Å; L376-W384 HydrophobicContact CB-CD2 4.09Å; L376-W384 HydrophobicContact CB-CG 3.83Å; L376-W384 HydrophobicContact CD1-CB 3.51Å; L376-W384 HydrophobicContact CD1-CD2 3.69Å; L376-W384 HydrophobicContact CD1-CE3 4.21Å; L376-W384 HydrophobicContact CD1-CG 3.36Å; L376-W384 HydrophobicContact CG-CD2 4.49Å; L376-W384 HydrophobicContact CG-CG 4.25Å; L376-V388 HydrophobicContact CD1-CB 4.49Å; L376-V388 HydrophobicContact CD1-CG1 4.4Å; L376-V388 HydrophobicContact CD1-CG2 4.03Å; L376-W390 HydrophobicContact CD1-CH2 3.82Å; L376-W390 HydrophobicContact CD1-CZ2 3.32Å; L376-W390 HydrophobicContact CD2-CH2 4.4Å; L376-W390 HydrophobicContact CG-CH2 3.75Å; L376-W390 HydrophobicContact CG-CZ2 3.72Å
377	P	98.1	Very high	96.1	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.4	-175.9	-25.8	37	0	0	0	112.7	S238 P240 F357 S379 W384 L426	S238-P377 CarbonylContact O-C 3.25Å; S238-P377 VanDerWaalsContact O-CA 3.26Å; S238-P377 WeakPolarHBondContact O-CA 3.47Å; P240-P377 HydrophobicContact CB-CB 4.39Å; P240-P377 HydrophobicContact CB-CG 3.79Å; F357-P377 HydrophobicContact CD1-CG 4.31Å; F357-P377 HydrophobicContact CE1-CG 3.73Å; F357-P377 HydrophobicContact CZ-CG 4.48Å; P377-S379 PolarHBondContact O-N 3.4Å; P377-S379 VanDerWaalsContact O-N 3.07Å; P377-W384 HydrophobicContact CB-CZ2 4.36Å; P377-W384 WeakPolarHBondContact O-CZ2 3.31Å; P377-W384 PolarHBondContact O-NE1 3.47Å; P377-L426 HydrophobicContact CB-CD2 4.48Å
378	F	98	Very high	96.1	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	28.9	177.3	-44	-54.2	0	0	0	114.7	I237 S238 L239 L376 E380 V381 I382 L426 I432 T435 I439	I237-F378 HydrophobicContact CG2-CD1 3.78Å; I237-F378 HydrophobicContact CG2-CE1 3.93Å; S238-F378 PolarHBondContact O-N 3.28Å; L239-F378 HydrophobicContact CD2-CE1 3.76Å; L239-F378 HydrophobicContact CD2-CZ 4.11Å; L376-F378 PolarHBondContact O-N 2.93Å; F378-E380 PolarHBondContact O-N 3.27Å; F378-V381 HydrophobicContact CB-CG2 4.17Å; F378-V381 PolarHBondContact O-N 3.01Å; F378-I382 HydrophobicContact CB-CD1 3.76Å; F378-I382 HydrophobicContact CB-CG1 4.02Å; F378-I382 HydrophobicContact CD2-CD1 3.89Å; F378-I382 HydrophobicContact CG-CD1 4.32Å; F378-I382 PolarHBondContact O-N 2.96Å; F378-L426 HydrophobicContact CD2-CD2 4.22Å; F378-L426 HydrophobicContact CE2-CD2 3.72Å; F378-I432 HydrophobicContact CZ-CB 4.4Å; F378-I432 HydrophobicContact CZ-CG2 3.93Å; F378-T435 HydrophobicContact CD1-CG2 3.87Å; F378-T435 HydrophobicContact CD2-CG2 3.72Å; F378-T435 HydrophobicContact CE1-CG2 3.88Å; F378-T435 HydrophobicContact CE2-CG2 3.72Å; F378-T435 HydrophobicContact CG-CG2 3.78Å; F378-T435 HydrophobicContact CZ-CG2 3.79Å; F378-I439 HydrophobicContact CB-CD1 3.83Å; F378-I439 HydrophobicContact CD1-CD1 3.47Å; F378-I439 VanDerWaalsContact CD1-CD1 3.47Å; F378-I439 HydrophobicContact CE1-CD1 4.32Å; F378-I439 HydrophobicContact CG-CD1 3.94Å
379	S	96.3	Very high	96.1	Very high	34 Å²	34	28.8 Å²	28.8	24%	0.238	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.8	-178.4	53.5	0	0	0	0	115.3	E375 L376 P377 V381	E375-S379 WeakPolarHBondContact OE1-CB 3.03Å; E375-S379 PolarHBondContact OE1-OG 3.31Å; L376-S379 WeakPolarHBondContact O-CB 3.48Å; L376-S379 PolarHBondContact O-N 3.35Å; L376-S379 PolarHBondContact O-OG 2.8Å; P377-S379 PolarHBondContact O-N 3.4Å; P377-S379 VanDerWaalsContact O-N 3.07Å; S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 PolarHBondContact O-N 3.44Å
380	E	95.2	Very high	96.1	Very high	74 Å²	74	34 Å²	34	35%	0.346	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.3	172.9	-179.3	174.6	172.8	0	0	112.6	F378 R443	F378-E380 PolarHBondContact O-N 3.27Å; E380-R443 IonicContact OE1-NE 3.89Å; E380-R443 PolarHBondContact OE1-NE 3.48Å; E380-R443 IonicContact OE2-CZ 2.66Å; E380-R443 VanDerWaalsContact OE2-CZ 3.31Å; E380-R443 IonicContact OE2-NE 3.94Å; E380-R443 PolarHBondContact OE2-NE 3.48Å; E380-R443 VanDerWaalsContact OE2-NE 3.16Å; E380-R443 IonicContact OE2-NH2 3.26Å; E380-R443 PolarHBondContact OE2-NH2 3.36Å
381	V	95.7	Very high	96.1	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.097	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-24.7	-174.1	-60.4	0	0	0	0	113.2	F378 S379 I439 W454 N455	F378-V381 HydrophobicContact CB-CG2 4.17Å; F378-V381 PolarHBondContact O-N 3.01Å; S379-V381 VanDerWaalsContact C-N 3.3Å; S379-V381 PolarHBondContact O-N 3.44Å; V381-I439 HydrophobicContact CG1-CG1 4.09Å; V381-I439 HydrophobicContact CG2-CD1 3.73Å; V381-I439 HydrophobicContact CG2-CG1 3.81Å; V381-W454 HydrophobicContact CB-CB 4.12Å; V381-W454 HydrophobicContact CB-CD2 3.68Å; V381-W454 HydrophobicContact CB-CE3 4.23Å; V381-W454 HydrophobicContact CB-CG 3.63Å; V381-W454 HydrophobicContact CG1-CD2 4.19Å; V381-W454 HydrophobicContact CG1-CG 4.26Å; V381-W454 HydrophobicContact CG1-CZ2 4.33Å; V381-W454 HydrophobicContact CG2-CD2 3.77Å; V381-W454 HydrophobicContact CG2-CE3 3.79Å; V381-W454 HydrophobicContact CG2-CG 4.2Å; V381-W454 HydrophobicContact CG2-CH2 4.48Å; V381-W454 HydrophobicContact CG2-CZ2 4.43Å; V381-W454 HydrophobicContact CG2-CZ3 4.17Å; V381-W454 WeakPolarHBondContact O-CB 3.3Å; V381-N455 PolarHBondContact O-ND2 3.22Å
382	I	97.2	Very high	96.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	18%	0.182	C	C	.	.			trans	-95.3	124.8	177.9	-62.4	-179.2	0	0	0	110.9	F378 W384 L421 Y425	F378-I382 HydrophobicContact CB-CD1 3.76Å; F378-I382 HydrophobicContact CB-CG1 4.02Å; F378-I382 HydrophobicContact CD2-CD1 3.89Å; F378-I382 HydrophobicContact CG-CD1 4.32Å; F378-I382 PolarHBondContact O-N 2.96Å; I382-W384 HydrophobicContact CB-CZ2 4.5Å; I382-W384 HydrophobicContact CD1-CZ2 4.14Å; I382-W384 HydrophobicContact CG2-CD2 3.82Å; I382-W384 HydrophobicContact CG2-CE3 4.36Å; I382-W384 HydrophobicContact CG2-CG 4.15Å; I382-W384 HydrophobicContact CG2-CH2 4.4Å; I382-W384 HydrophobicContact CG2-CZ2 3.88Å; I382-W384 PolarHBondContact O-N 2.87Å; I382-L421 HydrophobicContact CD1-CD2 4.14Å; I382-L421 HydrophobicContact CG1-CD2 4.23Å; I382-L421 HydrophobicContact CG2-CD1 3.66Å; I382-L421 HydrophobicContact CG2-CD2 3.68Å; I382-L421 HydrophobicContact CG2-CG 4.31Å; I382-Y425 HydrophobicContact CD1-CD2 3.82Å; I382-Y425 HydrophobicContact CD1-CE2 4.4Å; I382-Y425 HydrophobicContact CD1-CG 4.3Å; I382-Y425 HydrophobicContact CG1-CD2 4.42Å
383	D	97.1	Very high	96.1	Very high	36 Å²	36	36.2 Å²	36.2	19%	0.193	18%	0.178	C	C	.	.			trans	-85	90.8	172	-174.3	3.9	0	0	0	111.8	N385 R386 Y451 N455	D383-N385 PolarHBondContact O-N 3.38Å; D383-N385 VanDerWaalsContact OD1-CB 3.31Å; D383-N385 WeakPolarHBondContact OD1-CB 3.33Å; D383-N385 PolarHBondContact OD1-N 3.14Å; D383-N385 VanDerWaalsContact OD1-N 3.13Å; D383-N385 PolarHBondContact OD1-ND2 3.24Å; D383-R386 PolarHBondContact O-N 3.45Å; D383-R386 WeakPolarHBondContact OD2-CD 3.37Å; D383-Y451 HydrophobicContact CB-CE2 3.71Å; D383-Y451 PolarHBondContact OD2-OH 3.15Å; D383-N455 PolarHBondContact N-OD1 2.86Å
384	W	97.8	Very high	96	Very high	13 Å²	13	42.2 Å²	42.2	5%	0.049	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.9	179.8	-70.5	105.9	0	0	0	114.2	F357 L361 L376 P377 I382 R386 A387 V388 L421 L426	F357-W384 AromaticContact CE1-CH2 3.98Å; F357-W384 HydrophobicContact CE1-CH2 3.98Å; F357-W384 HydrophobicContact CE1-CZ2 4.38Å; F357-W384 HydrophobicContact CE2-CZ3 4.41Å; F357-W384 HydrophobicContact CZ-CE3 4.24Å; F357-W384 AromaticContact CZ-CH2 3.5Å; F357-W384 HydrophobicContact CZ-CH2 3.5Å; F357-W384 HydrophobicContact CZ-CZ2 4Å; F357-W384 AromaticContact CZ-CZ3 3.64Å; F357-W384 HydrophobicContact CZ-CZ3 3.64Å; L361-W384 HydrophobicContact CD1-CH2 4.24Å; L361-W384 HydrophobicContact CD1-CZ3 4.42Å; L376-W384 VanDerWaalsContact CB-CD1 3.43Å; L376-W384 HydrophobicContact CB-CD2 4.09Å; L376-W384 HydrophobicContact CB-CG 3.83Å; L376-W384 HydrophobicContact CD1-CB 3.51Å; L376-W384 HydrophobicContact CD1-CD2 3.69Å; L376-W384 HydrophobicContact CD1-CE3 4.21Å; L376-W384 HydrophobicContact CD1-CG 3.36Å; L376-W384 HydrophobicContact CG-CD2 4.49Å; L376-W384 HydrophobicContact CG-CG 4.25Å; P377-W384 HydrophobicContact CB-CZ2 4.36Å; P377-W384 WeakPolarHBondContact O-CZ2 3.31Å; P377-W384 PolarHBondContact O-NE1 3.47Å; I382-W384 HydrophobicContact CB-CZ2 4.5Å; I382-W384 HydrophobicContact CD1-CZ2 4.14Å; I382-W384 HydrophobicContact CG2-CD2 3.82Å; I382-W384 HydrophobicContact CG2-CE3 4.36Å; I382-W384 HydrophobicContact CG2-CG 4.15Å; I382-W384 HydrophobicContact CG2-CH2 4.4Å; I382-W384 HydrophobicContact CG2-CZ2 3.88Å; I382-W384 PolarHBondContact O-N 2.87Å; W384-R386 PolarHBondContact O-N 3.47Å; W384-R386 VanDerWaalsContact O-N 3.1Å; W384-A387 HydrophobicContact CE3-CB 4.07Å; W384-A387 HydrophobicContact CZ3-CB 4.32Å; W384-A387 PolarHBondContact O-N 3.23Å; W384-V388 HydrophobicContact CD2-CG2 4.46Å; W384-V388 HydrophobicContact CE3-CG2 3.63Å; W384-V388 HydrophobicContact CZ3-CG2 4.28Å; W384-V388 WeakPolarHBondContact O-CB 3.48Å; W384-V388 PolarHBondContact O-N 2.94Å; W384-L421 HydrophobicContact CE3-CD1 4.06Å; W384-L421 HydrophobicContact CH2-CD1 4.12Å; W384-L421 HydrophobicContact CZ3-CD1 3.71Å; W384-L426 HydrophobicContact CH2-CD1 3.81Å; W384-L426 HydrophobicContact CZ2-CD1 4.39Å
385	N	96.6	Very high	95.9	Very high	106 Å²	106	46 Å²	46	57%	0.567	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-64.1	-19	177.2	-59.7	-55.2	0	0	0	112.8	D383 Y414	D383-N385 PolarHBondContact O-N 3.38Å; D383-N385 VanDerWaalsContact OD1-CB 3.31Å; D383-N385 WeakPolarHBondContact OD1-CB 3.33Å; D383-N385 PolarHBondContact OD1-N 3.14Å; D383-N385 VanDerWaalsContact OD1-N 3.13Å; D383-N385 PolarHBondContact OD1-ND2 3.24Å; N385-Y414 VanDerWaalsContact O-CE1 3.31Å; N385-Y414 WeakPolarHBondContact O-CE1 3.47Å; N385-Y414 PolarHBondContact O-OH 2.86Å
386	R	95.6	Very high	95.6	Very high	98 Å²	98	44.3 Å²	44.3	37%	0.37	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-91.2	-7.2	177.6	-63.7	177	60.3	173.9	-6.2	113.7	D383 W384 Y414 Q417 Y451	D383-R386 PolarHBondContact O-N 3.45Å; D383-R386 WeakPolarHBondContact OD2-CD 3.37Å; W384-R386 PolarHBondContact O-N 3.47Å; W384-R386 VanDerWaalsContact O-N 3.1Å; R386-Y414 VanDerWaalsContact C-CD1 3.45Å; R386-Y414 WeakPolarHBondContact O-CD1 3.46Å; R386-Q417 HydrophobicContact CB-CB 4.46Å; R386-Q417 HydrophobicContact CB-CG 3.84Å; R386-Q417 VanDerWaalsContact O-CB 3.23Å; R386-Q417 WeakPolarHBondContact O-CB 3.16Å; R386-Y451 WeakPolarHBondContact CD-OH 3.43Å
387	A	96.6	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-18.7	-174	0	0	0	0	0	114.1	P367 W384 Q417 V418 L421	P367-A387 WeakPolarHBondContact CD-O 3.45Å; P367-A387 WeakPolarHBondContact CG-O 3.48Å; W384-A387 HydrophobicContact CE3-CB 4.07Å; W384-A387 HydrophobicContact CZ3-CB 4.32Å; W384-A387 PolarHBondContact O-N 3.23Å; A387-Q417 HydrophobicContact CB-CB 4.22Å; A387-Q417 HydrophobicContact CB-CG 3.89Å; A387-V418 HydrophobicContact CB-CG2 4.07Å; A387-V418 WeakPolarHBondContact O-CG2 3.48Å; A387-L421 HydrophobicContact CB-CD1 3.6Å
388	V	97.8	Very high	95.3	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	25%	0.25	C	S	.	.			trans	-126.5	142.9	-171.7	164.4	0	0	0	0	111.1	F357 P367 M369 L376 W384 W390	F357-V388 HydrophobicContact CE2-CG2 4.37Å; P367-V388 HydrophobicContact CB-CG2 4.33Å; P367-V388 HydrophobicContact CG-CB 4.35Å; P367-V388 HydrophobicContact CG-CG2 3.55Å; M369-V388 HydrophobicContact CB-CG1 4.04Å; M369-V388 HydrophobicContact CG-CB 4.49Å; M369-V388 HydrophobicContact CG-CG1 3.29Å; M369-V388 HydrophobicContact CG-CG2 4.39Å; L376-V388 HydrophobicContact CD1-CB 4.49Å; L376-V388 HydrophobicContact CD1-CG1 4.4Å; L376-V388 HydrophobicContact CD1-CG2 4.03Å; W384-V388 HydrophobicContact CD2-CG2 4.46Å; W384-V388 HydrophobicContact CE3-CG2 3.63Å; W384-V388 HydrophobicContact CZ3-CG2 4.28Å; W384-V388 WeakPolarHBondContact O-CB 3.48Å; W384-V388 PolarHBondContact O-N 2.94Å; V388-W390 HydrophobicContact CG1-CD2 4.32Å; V388-W390 HydrophobicContact CG1-CG 4.4Å
389	I	97.8	Very high	95.3	Very high	24 Å²	24	52.9 Å²	52.9	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.2	165.1	-54.5	-57.2	0	0	0	109.1	F343 I366 P367 V368 M369 L403 I406 Y414	F343-I389 HydrophobicContact CD1-CG1 4.27Å; F343-I389 HydrophobicContact CE1-CG1 4.03Å; I366-I389 HydrophobicContact CG2-CG1 4.03Å; P367-I389 PolarHBondContact O-N 3.14Å; V368-I389 CarbonylContact C-O 3.48Å; V368-I389 VanDerWaalsContact CA-O 3.32Å; V368-I389 WeakPolarHBondContact CA-O 3.18Å; V368-I389 HydrophobicContact CG1-CG2 4.48Å; V368-I389 HydrophobicContact CG2-CB 4.17Å; M369-I389 PolarHBondContact N-O 3.13Å; I389-L403 HydrophobicContact CG2-CD2 4.08Å; I389-I406 HydrophobicContact CD1-CD1 3.7Å; I389-I406 HydrophobicContact CG1-CD1 4.06Å; I389-Y414 HydrophobicContact CD1-CD2 4.38Å; I389-Y414 HydrophobicContact CD1-CE1 4Å; I389-Y414 HydrophobicContact CD1-CE2 3.78Å
390	W	95.4	Very high	95.3	Very high	112 Å²	112	52.5 Å²	52.5	42%	0.424	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133	174.2	-71	102.3	0	0	0	111.3	M369 L376 V388	M369-W390 HydrophobicContact CB-CD2 4.36Å; M369-W390 HydrophobicContact CB-CE3 3.74Å; M369-W390 HydrophobicContact CB-CZ3 3.92Å; M369-W390 HydrophobicContact CG-CZ3 4.47Å; L376-W390 HydrophobicContact CD1-CH2 3.82Å; L376-W390 HydrophobicContact CD1-CZ2 3.32Å; L376-W390 HydrophobicContact CD2-CH2 4.4Å; L376-W390 HydrophobicContact CG-CH2 3.75Å; L376-W390 HydrophobicContact CG-CZ2 3.72Å; V388-W390 HydrophobicContact CG1-CD2 4.32Å; V388-W390 HydrophobicContact CG1-CG 4.4Å
391	A	94.9	Very high	95.4	Very high	17 Å²	17	54.3 Å²	54.3	14%	0.14	26%	0.26	C	S	.	.			trans	-130.3	141.8	173.9	0	0	0	0	0	110.5	V368 M369 L370 L399	V368-A391 HydrophobicContact CG1-CB 4.14Å; M369-A391 PolarHBondContact O-N 3.44Å; M369-A391 VanDerWaalsContact O-O 3.14Å; L370-A391 HydrophobicContact CD1-CB 3.88Å; A391-L399 HydrophobicContact CB-CD2 3.5Å; A391-L399 VanDerWaalsContact CB-CD2 3.5Å; A391-L399 HydrophobicContact CB-CG 4.45Å
392	D	93.4	Very high	95.4	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.241	28%	0.276	C	S	.	.			trans	-77.7	127.4	176.9	-166.8	-37.2	0	0	0	110.3	L370 N372 R394 L395	L370-D392 WeakPolarHBondContact CD1-O 3.32Å; N372-D392 PolarHBondContact ND2-OD1 3.05Å; D392-R394 PolarHBondContact O-N 3.29Å; D392-R394 VanDerWaalsContact OD1-CB 3.31Å; D392-R394 WeakPolarHBondContact OD1-CB 3.37Å; D392-R394 WeakPolarHBondContact OD1-CG 3.44Å; D392-R394 IonicContact OD1-CZ 2.77Å; D392-R394 PolarHBondContact OD1-N 3.5Å; D392-R394 IonicContact OD1-NE 2.87Å; D392-R394 PolarHBondContact OD1-NE 3.17Å; D392-R394 IonicContact OD1-NH2 2.74Å; D392-R394 IonicContact OD2-CZ 3.19Å; D392-R394 VanDerWaalsContact OD2-CZ 3.26Å; D392-R394 IonicContact OD2-NE 2.89Å; D392-R394 PolarHBondContact OD2-NE 3.37Å; D392-R394 VanDerWaalsContact OD2-NE 3.07Å; D392-R394 IonicContact OD2-NH2 3.84Å; D392-R394 PolarHBondContact OD2-NH2 2.59Å; D392-L395 PolarHBondContact O-N 3.09Å
393	E	91.3	Very high	95.4	Very high	36 Å²	36	56.3 Å²	56.3	17%	0.168	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.2	175.1	-75	-171.6	93.2	0	0	113.8	S289 L370 N372 P396	S289-E393 PolarHBondContact OG-OE1 3.33Å; L370-E393 HydrophobicContact CD1-CG 4.44Å; L370-E393 HydrophobicContact CG-CG 4.11Å; N372-E393 PolarHBondContact N-OE2 3.18Å; N372-E393 PolarHBondContact OD1-N 2.85Å; N372-E393 VanDerWaalsContact OD1-N 3.09Å; E393-P396 WeakPolarHBondContact O-CD 3.36Å
394	R	90.8	Very high	95.4	Very high	196 Å²	196	60.9 Å²	60.9	74%	0.74	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.2	179.4	-59.8	173.1	-68.1	-179.6	0.9	113.5	D392	D392-R394 PolarHBondContact O-N 3.29Å; D392-R394 VanDerWaalsContact OD1-CB 3.31Å; D392-R394 WeakPolarHBondContact OD1-CB 3.37Å; D392-R394 WeakPolarHBondContact OD1-CG 3.44Å; D392-R394 IonicContact OD1-CZ 2.77Å; D392-R394 PolarHBondContact OD1-N 3.5Å; D392-R394 IonicContact OD1-NE 2.87Å; D392-R394 PolarHBondContact OD1-NE 3.17Å; D392-R394 IonicContact OD1-NH2 2.74Å; D392-R394 IonicContact OD2-CZ 3.19Å; D392-R394 VanDerWaalsContact OD2-CZ 3.26Å; D392-R394 IonicContact OD2-NE 2.89Å; D392-R394 PolarHBondContact OD2-NE 3.37Å; D392-R394 VanDerWaalsContact OD2-NE 3.07Å; D392-R394 IonicContact OD2-NH2 3.84Å; D392-R394 PolarHBondContact OD2-NH2 2.59Å
395	L	93.2	Very high	95.3	Very high	97 Å²	97	70.1 Å²	70.1	51%	0.508	33%	0.325	S	S	.	.			trans	-126.9	42.1	-171.7	-59.2	174.3	0	0	0	114	D392 L397 L398	D392-L395 PolarHBondContact O-N 3.09Å; L395-L397 PolarHBondContact O-N 3.37Å; L395-L398 HydrophobicContact CB-CD1 4.03Å; L395-L398 HydrophobicContact CB-CG 4.33Å; L395-L398 HydrophobicContact CD1-CD1 4.11Å; L395-L398 HydrophobicContact CD2-CD1 4.42Å; L395-L398 HydrophobicContact CG-CD1 4.43Å; L395-L398 PolarHBondContact O-N 3.28Å; L395-L398 VanDerWaalsContact O-N 3.14Å
396	P	91.6	Very high	95.3	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.019	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62.3	-31.7	-175.7	26	-34.2	0	0	0	112.4	I292 L296 L370 E393 L398 L399	I292-P396 HydrophobicContact CD1-CG 3.59Å; I292-P396 HydrophobicContact CG1-CG 3.97Å; I292-P396 HydrophobicContact CG2-CB 4.43Å; I292-P396 HydrophobicContact CG2-CG 3.76Å; L296-P396 HydrophobicContact CD1-CB 4.35Å; L296-P396 WeakPolarHBondContact CD2-O 3.49Å; L370-P396 HydrophobicContact CD2-CB 4.21Å; E393-P396 WeakPolarHBondContact O-CD 3.36Å; P396-L398 PolarHBondContact O-N 2.8Å; P396-L398 VanDerWaalsContact O-N 3.1Å; P396-L399 HydrophobicContact CB-CD1 4.46Å; P396-L399 WeakPolarHBondContact O-CB 3.22Å; P396-L399 WeakPolarHBondContact O-CD1 3.49Å; P396-L399 WeakPolarHBondContact O-CG 3.49Å; P396-L399 PolarHBondContact O-N 3.46Å
397	L	94	Very high	95.3	Very high	98 Å²	98	65.4 Å²	65.4	51%	0.513	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.6	-14.9	179.8	-59.8	-178	0	0	0	114.2	I292 H295 L296 L395 P400	I292-L397 HydrophobicContact CD1-CG 4.48Å; I292-L397 HydrophobicContact CG1-CD2 4.4Å; H295-L397 HydrophobicContact CB-CD2 3.78Å; L296-L397 HydrophobicContact CD2-CD2 3.93Å; L296-L397 HydrophobicContact CG-CD2 4.47Å; L395-L397 PolarHBondContact O-N 3.37Å; L397-P400 WeakPolarHBondContact O-CD 3.02Å
398	L	95.4	Very high	95.1	Very high	87 Å²	87	69.1 Å²	69.1	46%	0.455	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-84	-14.9	175	-60.9	-176	0	0	0	113.2	L395 P396 P400 L401 S402	L395-L398 HydrophobicContact CB-CD1 4.03Å; L395-L398 HydrophobicContact CB-CG 4.33Å; L395-L398 HydrophobicContact CD1-CD1 4.11Å; L395-L398 HydrophobicContact CD2-CD1 4.42Å; L395-L398 HydrophobicContact CG-CD1 4.43Å; L395-L398 PolarHBondContact O-N 3.28Å; L395-L398 VanDerWaalsContact O-N 3.14Å; P396-L398 PolarHBondContact O-N 2.8Å; P396-L398 VanDerWaalsContact O-N 3.1Å; L398-P400 VanDerWaalsContact C-CD 3.46Å; L398-L401 PolarHBondContact O-N 3.06Å; L398-L401 VanDerWaalsContact O-N 3.11Å; L398-S402 PolarHBondContact O-N 2.95Å; L398-S402 PolarHBondContact O-OG 2.65Å
399	L	96.7	Very high	94.9	Very high	8 Å²	8	74.6 Å²	74.6	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-51.4	-46.7	-177.9	-73.5	172.7	0	0	0	113.7	L274 L296 L345 V368 A391 P396 L401 S402 L403	L274-L399 HydrophobicContact CD2-CB 4.34Å; L274-L399 HydrophobicContact CD2-CD1 4.45Å; L296-L399 HydrophobicContact CD1-CD1 4.12Å; L345-L399 HydrophobicContact CD1-CD1 3.71Å; V368-L399 HydrophobicContact CG1-CD2 3.64Å; A391-L399 HydrophobicContact CB-CD2 3.5Å; A391-L399 VanDerWaalsContact CB-CD2 3.5Å; A391-L399 HydrophobicContact CB-CG 4.45Å; P396-L399 HydrophobicContact CB-CD1 4.46Å; P396-L399 WeakPolarHBondContact O-CB 3.22Å; P396-L399 WeakPolarHBondContact O-CD1 3.49Å; P396-L399 WeakPolarHBondContact O-CG 3.49Å; P396-L399 PolarHBondContact O-N 3.46Å; L399-L401 VanDerWaalsContact C-N 3.27Å; L399-L401 PolarHBondContact O-N 3.14Å; L399-S402 PolarHBondContact O-N 2.95Å; L399-L403 WeakPolarHBondContact O-CB 3.48Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.44Å; L399-L403 PolarHBondContact O-N 3.47Å
400	P	97	Very high	94.7	Very high	27 Å²	27	77 Å²	77	18%	0.175	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-39.6	-179.9	-25.9	36.4	0	0	0	113.1	L296 I302 L397 L398 R404	L296-P400 HydrophobicContact CD2-CG 4.1Å; I302-P400 HydrophobicContact CD1-CB 3.58Å; I302-P400 HydrophobicContact CD1-CG 3.69Å; L397-P400 WeakPolarHBondContact O-CD 3.02Å; L398-P400 VanDerWaalsContact C-CD 3.46Å; P400-R404 WeakPolarHBondContact O-CG 3.3Å; P400-R404 PolarHBondContact O-N 3.05Å
401	L	96.5	Very high	94.7	Very high	111 Å²	111	72.5 Å²	72.5	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-74.1	-43.3	180	-66.5	173.9	0	0	0	111.4	L398 L399 R405	L398-L401 PolarHBondContact O-N 3.06Å; L398-L401 VanDerWaalsContact O-N 3.11Å; L399-L401 VanDerWaalsContact C-N 3.27Å; L399-L401 PolarHBondContact O-N 3.14Å; L401-R405 WeakPolarHBondContact O-CG 3.3Å
402	S	96.7	Very high	94.5	Very high	63 Å²	63	74.7 Å²	74.7	44%	0.441	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-44.1	-179.8	-62	0	0	0	0	112.1	L398 L399 R405	L398-S402 PolarHBondContact O-N 2.95Å; L398-S402 PolarHBondContact O-OG 2.65Å; L399-S402 PolarHBondContact O-N 2.95Å; S402-R405 PolarHBondContact O-N 3.2Å
403	L	97.5	Very high	94.4	Very high	2 Å²	2	77.1 Å²	77.1	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-36.2	-177.2	-64.6	176.5	0	0	0	112.6	L273 L274 F343 V368 I389 L399 R405 I406	L273-L403 HydrophobicContact CD2-CB 4.45Å; L274-L403 HydrophobicContact CB-CD1 4.02Å; L274-L403 HydrophobicContact CD1-CD1 3.85Å; L274-L403 HydrophobicContact CD2-CD1 3.73Å; L274-L403 HydrophobicContact CG-CD1 4.07Å; F343-L403 HydrophobicContact CB-CD1 4.21Å; F343-L403 HydrophobicContact CD1-CD2 3.91Å; F343-L403 HydrophobicContact CD2-CB 4.23Å; F343-L403 HydrophobicContact CD2-CD1 4.32Å; F343-L403 HydrophobicContact CD2-CD2 4.24Å; F343-L403 HydrophobicContact CD2-CG 4.5Å; F343-L403 HydrophobicContact CE1-CD2 4.1Å; F343-L403 HydrophobicContact CE2-CB 4.24Å; F343-L403 HydrophobicContact CE2-CD2 4.4Å; F343-L403 HydrophobicContact CG-CD1 4.26Å; F343-L403 HydrophobicContact CG-CD2 4.01Å; F343-L403 HydrophobicContact CZ-CD2 4.35Å; V368-L403 HydrophobicContact CG2-CD1 4.22Å; V368-L403 HydrophobicContact CG2-CD2 3.89Å; I389-L403 HydrophobicContact CG2-CD2 4.08Å; L399-L403 WeakPolarHBondContact O-CB 3.48Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.44Å; L399-L403 PolarHBondContact O-N 3.47Å; L403-R405 PolarHBondContact O-N 2.93Å; L403-I406 HydrophobicContact CD2-CD1 4Å; L403-I406 PolarHBondContact O-N 2.85Å; L403-I406 VanDerWaalsContact O-N 3.16Å
404	R	96.3	Very high	94.6	Very high	132 Å²	132	77.6 Å²	77.6	50%	0.498	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-19.6	175.8	-73.7	-179.9	-162.5	-69.5	-2.9	113.8	L273 D301 P400 I406	L273-R404 HydrophobicContact CD2-CG 3.61Å; D301-R404 VanDerWaalsContact CG-NH2 3.31Å; D301-R404 IonicContact OD1-NH2 3.86Å; D301-R404 PolarHBondContact OD1-NH2 3.4Å; D301-R404 VanDerWaalsContact OD1-NH2 3.13Å; D301-R404 IonicContact OD2-CZ 3.74Å; D301-R404 IonicContact OD2-NH1 3.23Å; D301-R404 PolarHBondContact OD2-NH1 3.03Å; D301-R404 IonicContact OD2-NH2 2.85Å; D301-R404 PolarHBondContact OD2-NH2 2.99Å; P400-R404 WeakPolarHBondContact O-CG 3.3Å; P400-R404 PolarHBondContact O-N 3.05Å; R404-I406 VanDerWaalsContact C-N 3.34Å
405	R	97.2	Very high	94.5	Very high	207 Å²	207	69.4 Å²	69.4	78%	0.781	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.4	177.2	-71.4	175.6	177.1	-172.6	-0.6	113.2	L401 S402 L403 T407	L401-R405 WeakPolarHBondContact O-CG 3.3Å; S402-R405 PolarHBondContact O-N 3.2Å; L403-R405 PolarHBondContact O-N 2.93Å; R405-T407 PolarHBondContact O-N 3.39Å
406	I	96.1	Very high	94.3	Very high	31 Å²	31	70.8 Å²	70.8	16%	0.159	35%	0.347	C	S	.	.	S	Bend	trans	-75.2	124.2	179.7	-56.8	175.3	0	0	0	108.4	F343 I389 L403 R404 Q410 I411 Y414	F343-I406 HydrophobicContact CE1-CD1 3.83Å; F343-I406 HydrophobicContact CZ-CB 4.16Å; F343-I406 HydrophobicContact CZ-CD1 3.69Å; F343-I406 HydrophobicContact CZ-CG1 4.48Å; F343-I406 HydrophobicContact CZ-CG2 4.24Å; I389-I406 HydrophobicContact CD1-CD1 3.7Å; I389-I406 HydrophobicContact CG1-CD1 4.06Å; L403-I406 HydrophobicContact CD2-CD1 4Å; L403-I406 PolarHBondContact O-N 2.85Å; L403-I406 VanDerWaalsContact O-N 3.16Å; R404-I406 VanDerWaalsContact C-N 3.34Å; I406-Q410 HydrophobicContact CG2-CB 3.71Å; I406-I411 HydrophobicContact CG2-CG1 3.97Å; I406-Y414 HydrophobicContact CG2-CE2 4.49Å
407	T	95.2	Very high	94.3	Very high	74 Å²	74	71.3 Å²	71.3	45%	0.454	35%	0.349	S	S	.	.			trans	-75.1	158.1	-176.5	63.5	0	0	0	0	112.3	R405 H409 Q410 I411	R405-T407 PolarHBondContact O-N 3.39Å; T407-H409 VanDerWaalsContact C-N 3.26Å; T407-H409 PolarHBondContact O-N 2.8Å; T407-Q410 WeakPolarHBondContact O-CB 3.29Å; T407-Q410 PolarHBondContact O-N 3.38Å; T407-Q410 VanDerWaalsContact O-N 3.1Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.45Å; T407-Q410 PolarHBondContact OG1-N 2.99Å; T407-Q410 PolarHBondContact OG1-OE1 3.25Å; T407-I411 WeakPolarHBondContact O-CG1 3.46Å; T407-I411 PolarHBondContact O-N 2.94Å
408	S	92.3	Very high	94.3	Very high	77 Å²	77	66.6 Å²	66.6	54%	0.538	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-36.3	176.8	-51.7	0	0	0	0	113.2	I411 I412	S408-I411 PolarHBondContact O-N 3.4Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 2.93Å
409	H	93.5	Very high	93.9	Very high	120 Å²	120	64.1 Å²	64.1	56%	0.556	31%	0.311	S	S	*	.	H	α-helix	trans	-62.9	-45.5	175.3	172.7	-92.1	0	0	0	111.8	T407 I411 I412 Q413	T407-H409 VanDerWaalsContact C-N 3.26Å; T407-H409 PolarHBondContact O-N 2.8Å; H409-I411 VanDerWaalsContact C-N 3.34Å; H409-I411 PolarHBondContact O-N 3.08Å; H409-I412 PolarHBondContact O-N 3.47Å; H409-Q413 PolarHBondContact CE1-NE2 2.86Å; H409-Q413 PolarHBondContact CE1-OE1 2.77Å; H409-Q413 VanDerWaalsContact CE1-OE1 3.31Å; H409-Q413 PolarHBondContact ND1-OE1 2.87Å; H409-Q413 WeakPolarHBondContact O-CG 3.02Å; H409-Q413 PolarHBondContact O-N 3.26Å; H409-Q413 VanDerWaalsContact O-N 3.14Å
410	Q	94.6	Very high	93.5	Very high	73 Å²	73	64.4 Å²	64.4	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.8	-69.7	168.7	-62.7	0	0	111.2	I406 T407 I412 Q413 Y414	I406-Q410 HydrophobicContact CG2-CB 3.71Å; T407-Q410 WeakPolarHBondContact O-CB 3.29Å; T407-Q410 PolarHBondContact O-N 3.38Å; T407-Q410 VanDerWaalsContact O-N 3.1Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.45Å; T407-Q410 PolarHBondContact OG1-N 2.99Å; T407-Q410 PolarHBondContact OG1-OE1 3.25Å; Q410-I412 VanDerWaalsContact C-N 3.32Å; Q410-I412 PolarHBondContact O-N 2.99Å; Q410-Q413 PolarHBondContact O-N 3.46Å; Q410-Q413 VanDerWaalsContact O-N 3.16Å; Q410-Y414 HydrophobicContact CB-CD2 4.36Å; Q410-Y414 HydrophobicContact CB-CE2 4.28Å; Q410-Y414 WeakPolarHBondContact O-CD2 3.29Å; Q410-Y414 PolarHBondContact O-N 3.13Å
411	I	93.8	Very high	93.3	Very high	18 Å²	18	63.1 Å²	63.1	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-45	176	-70.2	166.2	0	0	0	111	T342 F343 I366 I406 T407 S408 H409 Q413 Y414 R415	T342-I411 HydrophobicContact CG2-CD1 4.04Å; T342-I411 HydrophobicContact CG2-CG1 4.31Å; T342-I411 HydrophobicContact CG2-CG2 3.91Å; F343-I411 HydrophobicContact CE2-CD1 4.39Å; F343-I411 HydrophobicContact CZ-CD1 4.32Å; F343-I411 HydrophobicContact CZ-CG1 3.99Å; I366-I411 HydrophobicContact CD1-CB 4.34Å; I366-I411 HydrophobicContact CD1-CG1 4.37Å; I366-I411 HydrophobicContact CD1-CG2 4Å; I406-I411 HydrophobicContact CG2-CG1 3.97Å; T407-I411 WeakPolarHBondContact O-CG1 3.46Å; T407-I411 PolarHBondContact O-N 2.94Å; S408-I411 PolarHBondContact O-N 3.4Å; H409-I411 VanDerWaalsContact C-N 3.34Å; H409-I411 PolarHBondContact O-N 3.08Å; I411-Q413 VanDerWaalsContact C-N 3.35Å; I411-Q413 PolarHBondContact O-N 3.39Å; I411-Y414 PolarHBondContact O-N 2.89Å; I411-R415 HydrophobicContact CG2-CG 4.44Å; I411-R415 VanDerWaalsContact O-CG 3.31Å; I411-R415 WeakPolarHBondContact O-CG 3.24Å; I411-R415 PolarHBondContact O-N 3.26Å
412	I	90.9	Very high	93.1	Very high	64 Å²	64	58.1 Å²	58.1	33%	0.328	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-48.5	176.1	-67.5	161.6	0	0	0	110.5	L268 S408 H409 Q410 Y414 R415 Q416	L268-I412 HydrophobicContact CD1-CD1 4.3Å; L268-I412 HydrophobicContact CD2-CD1 3.75Å; L268-I412 HydrophobicContact CD2-CG1 3.54Å; L268-I412 HydrophobicContact CG-CD1 4.44Å; L268-I412 HydrophobicContact CG-CG1 4.41Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 2.93Å; H409-I412 PolarHBondContact O-N 3.47Å; Q410-I412 VanDerWaalsContact C-N 3.32Å; Q410-I412 PolarHBondContact O-N 2.99Å; I412-Y414 PolarHBondContact O-N 2.75Å; I412-R415 PolarHBondContact O-N 3.33Å; I412-Q416 HydrophobicContact CG2-CG 4.23Å; I412-Q416 WeakPolarHBondContact O-CB 3.43Å; I412-Q416 VanDerWaalsContact O-CG 3.32Å; I412-Q416 WeakPolarHBondContact O-CG 3.47Å; I412-Q416 PolarHBondContact O-N 3.04Å
413	Q	91.5	Very high	92.6	Very high	96 Å²	96	57.4 Å²	57.4	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-45.8	-179.2	-67.9	179	-47.2	0	0	111.9	H409 Q410 I411 R415 Q416 Q417	H409-Q413 PolarHBondContact CE1-NE2 2.86Å; H409-Q413 PolarHBondContact CE1-OE1 2.77Å; H409-Q413 VanDerWaalsContact CE1-OE1 3.31Å; H409-Q413 PolarHBondContact ND1-OE1 2.87Å; H409-Q413 WeakPolarHBondContact O-CG 3.02Å; H409-Q413 PolarHBondContact O-N 3.26Å; H409-Q413 VanDerWaalsContact O-N 3.14Å; Q410-Q413 PolarHBondContact O-N 3.46Å; Q410-Q413 VanDerWaalsContact O-N 3.16Å; I411-Q413 VanDerWaalsContact C-N 3.35Å; I411-Q413 PolarHBondContact O-N 3.39Å; Q413-R415 PolarHBondContact O-N 2.82Å; Q413-Q416 PolarHBondContact O-N 2.64Å; Q413-Q417 PolarHBondContact O-N 2.89Å
414	Y	95	Very high	92.1	Very high	46 Å²	46	58 Å²	58	18%	0.18	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-46.3	176	-80.5	-64.5	0	0	0	111.7	I366 N385 R386 I389 I406 Q410 I411 I412 Q417 V418	I366-Y414 HydrophobicContact CD1-CG 4.35Å; I366-Y414 HydrophobicContact CG2-CG 4.33Å; N385-Y414 VanDerWaalsContact O-CE1 3.31Å; N385-Y414 WeakPolarHBondContact O-CE1 3.47Å; N385-Y414 PolarHBondContact O-OH 2.86Å; R386-Y414 VanDerWaalsContact C-CD1 3.45Å; R386-Y414 WeakPolarHBondContact O-CD1 3.46Å; I389-Y414 HydrophobicContact CD1-CD2 4.38Å; I389-Y414 HydrophobicContact CD1-CE1 4Å; I389-Y414 HydrophobicContact CD1-CE2 3.78Å; I406-Y414 HydrophobicContact CG2-CE2 4.49Å; Q410-Y414 HydrophobicContact CB-CD2 4.36Å; Q410-Y414 HydrophobicContact CB-CE2 4.28Å; Q410-Y414 WeakPolarHBondContact O-CD2 3.29Å; Q410-Y414 PolarHBondContact O-N 3.13Å; I411-Y414 PolarHBondContact O-N 2.89Å; I412-Y414 PolarHBondContact O-N 2.75Å; Y414-Q417 PolarHBondContact O-N 3.37Å; Y414-V418 WeakPolarHBondContact O-CB 3.38Å; Y414-V418 VanDerWaalsContact O-CG2 3.3Å; Y414-V418 WeakPolarHBondContact O-CG2 3.47Å; Y414-V418 PolarHBondContact O-N 3.45Å
415	R	90.4	Very high	92	Very high	23 Å²	23	51.7 Å²	51.7	9%	0.087	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-42.1	180	-70	178.8	82.8	179.3	8.3	112.3	R265 R267 I366 I411 I412 Q413 Q417 V418 M419	R265-R415 PolarHBondContact O-NH1 3.08Å; R265-R415 PolarHBondContact O-NH2 2.82Å; R267-R415 PolarHBondContact O-NH1 2.87Å; I366-R415 HydrophobicContact CD1-CG 4Å; I366-R415 HydrophobicContact CG1-CG 3.8Å; I411-R415 HydrophobicContact CG2-CG 4.44Å; I411-R415 VanDerWaalsContact O-CG 3.31Å; I411-R415 WeakPolarHBondContact O-CG 3.24Å; I411-R415 PolarHBondContact O-N 3.26Å; I412-R415 PolarHBondContact O-N 3.33Å; Q413-R415 PolarHBondContact O-N 2.82Å; R415-Q417 VanDerWaalsContact C-N 3.32Å; R415-Q417 PolarHBondContact O-N 2.91Å; R415-V418 PolarHBondContact O-N 3.16Å; R415-M419 VanDerWaalsContact O-CG 3.31Å; R415-M419 WeakPolarHBondContact O-CG 3.37Å; R415-M419 PolarHBondContact O-N 2.64Å
416	Q	87.9	Confident	91.8	Very high	127 Å²	127	41.8 Å²	41.8	59%	0.593	21%	0.209	S	C	*	.	H	α-helix	trans	-59.1	-45.1	175	-75.2	174.8	-22.7	0	0	111.1	I412 Q413 M419 F420	I412-Q416 HydrophobicContact CG2-CG 4.23Å; I412-Q416 WeakPolarHBondContact O-CB 3.43Å; I412-Q416 VanDerWaalsContact O-CG 3.32Å; I412-Q416 WeakPolarHBondContact O-CG 3.47Å; I412-Q416 PolarHBondContact O-N 3.04Å; Q413-Q416 PolarHBondContact O-N 2.64Å; Q416-M419 PolarHBondContact O-N 3.29Å; Q416-F420 WeakPolarHBondContact O-CB 3.32Å; Q416-F420 PolarHBondContact O-N 2.97Å
417	Q	92.6	Very high	91.5	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-43.9	177.5	-164.4	71	19.7	0	0	111.8	R386 A387 Q413 Y414 R415 M419 F420 L421 N455	R386-Q417 HydrophobicContact CB-CB 4.46Å; R386-Q417 HydrophobicContact CB-CG 3.84Å; R386-Q417 VanDerWaalsContact O-CB 3.23Å; R386-Q417 WeakPolarHBondContact O-CB 3.16Å; A387-Q417 HydrophobicContact CB-CB 4.22Å; A387-Q417 HydrophobicContact CB-CG 3.89Å; Q413-Q417 PolarHBondContact O-N 2.89Å; Y414-Q417 PolarHBondContact O-N 3.37Å; R415-Q417 VanDerWaalsContact C-N 3.32Å; R415-Q417 PolarHBondContact O-N 2.91Å; Q417-M419 VanDerWaalsContact C-N 3.31Å; Q417-M419 PolarHBondContact O-N 2.92Å; Q417-F420 PolarHBondContact O-N 2.99Å; Q417-L421 HydrophobicContact CG-CD1 4.08Å; Q417-L421 HydrophobicContact CG-CG 4.29Å; Q417-L421 VanDerWaalsContact O-CG 3.3Å; Q417-L421 WeakPolarHBondContact O-CG 3.34Å; Q417-L421 PolarHBondContact O-N 3.03Å; Q417-N455 PolarHBondContact NE2-O 2.84Å; Q417-N455 VanDerWaalsContact NE2-O 3.1Å
418	V	92.9	Very high	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-46.7	175.8	161.8	0	0	0	0	111.1	L361 A387 Y414 R415 L421 W422	L361-V418 HydrophobicContact CB-CG1 4.43Å; L361-V418 HydrophobicContact CD2-CB 4.27Å; L361-V418 HydrophobicContact CD2-CG1 3.68Å; L361-V418 HydrophobicContact CD2-CG2 3.99Å; A387-V418 HydrophobicContact CB-CG2 4.07Å; A387-V418 WeakPolarHBondContact O-CG2 3.48Å; Y414-V418 WeakPolarHBondContact O-CB 3.38Å; Y414-V418 VanDerWaalsContact O-CG2 3.3Å; Y414-V418 WeakPolarHBondContact O-CG2 3.47Å; Y414-V418 PolarHBondContact O-N 3.45Å; R415-V418 PolarHBondContact O-N 3.16Å; V418-L421 PolarHBondContact O-N 3.39Å; V418-W422 VanDerWaalsContact O-CB 3.3Å; V418-W422 WeakPolarHBondContact O-CB 2.97Å; V418-W422 PolarHBondContact O-N 2.75Å
419	M	86.7	Confident	91.5	Very high	34 Å²	34	33.5 Å²	33.5	17%	0.167	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-48.2	176.7	-72.2	-65.5	97.9	0	0	112.1	R265 R415 Q416 Q417 L421 W422 H423	R265-M419 PolarHBondContact NE-SD 2.98Å; R265-M419 VanDerWaalsContact NE-SD 3.42Å; R415-M419 VanDerWaalsContact O-CG 3.31Å; R415-M419 WeakPolarHBondContact O-CG 3.37Å; R415-M419 PolarHBondContact O-N 2.64Å; Q416-M419 PolarHBondContact O-N 3.29Å; Q417-M419 VanDerWaalsContact C-N 3.31Å; Q417-M419 PolarHBondContact O-N 2.92Å; M419-L421 PolarHBondContact O-N 2.63Å; M419-W422 PolarHBondContact O-N 2.79Å; M419-H423 WeakPolarHBondContact O-CB 3.37Å; M419-H423 PolarHBondContact O-CD2 2.86Å; M419-H423 PolarHBondContact O-N 3.36Å
420	F	89.2	Confident	91.4	Very high	15 Å²	15	28 Å²	28	7%	0.066	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-51.8	177.9	162.7	-109.2	0	0	0	111.6	Q416 Q417 W422 H423 T424 Y425 W454 N455 T456 L457	Q416-F420 WeakPolarHBondContact O-CB 3.32Å; Q416-F420 PolarHBondContact O-N 2.97Å; Q417-F420 PolarHBondContact O-N 2.99Å; F420-W422 PolarHBondContact O-N 3.47Å; F420-H423 PolarHBondContact O-N 2.73Å; F420-T424 WeakPolarHBondContact CD2-OG1 3.43Å; F420-T424 HydrophobicContact CE2-CG2 4.31Å; F420-T424 WeakPolarHBondContact CE2-OG1 3.46Å; F420-T424 VanDerWaalsContact O-CB 3.22Å; F420-T424 WeakPolarHBondContact O-CB 3.4Å; F420-T424 PolarHBondContact O-N 2.66Å; F420-T424 PolarHBondContact O-OG1 2.98Å; F420-Y425 AromaticContact CE1-CE2 3.99Å; F420-Y425 HydrophobicContact CE1-CE2 3.99Å; F420-Y425 AromaticContact CZ-CE2 3.9Å; F420-Y425 HydrophobicContact CZ-CE2 3.9Å; F420-W454 WeakPolarHBondContact CE1-O 3.09Å; F420-W454 WeakPolarHBondContact CZ-O 3.38Å; F420-N455 VanDerWaalsContact CE1-C 3.45Å; F420-T456 WeakPolarHBondContact CZ-O 3.34Å; F420-L457 HydrophobicContact CD2-CD2 3.59Å; F420-L457 HydrophobicContact CD2-CG 3.65Å; F420-L457 HydrophobicContact CE2-CD2 3.98Å; F420-L457 HydrophobicContact CE2-CG 4.07Å
421	L	93.2	Very high	91.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-40.5	-177.3	-64.5	177.5	0	0	0	112	I382 W384 A387 Q417 V418 M419 Y425	I382-L421 HydrophobicContact CD1-CD2 4.14Å; I382-L421 HydrophobicContact CG1-CD2 4.23Å; I382-L421 HydrophobicContact CG2-CD1 3.66Å; I382-L421 HydrophobicContact CG2-CD2 3.68Å; I382-L421 HydrophobicContact CG2-CG 4.31Å; W384-L421 HydrophobicContact CE3-CD1 4.06Å; W384-L421 HydrophobicContact CH2-CD1 4.12Å; W384-L421 HydrophobicContact CZ3-CD1 3.71Å; A387-L421 HydrophobicContact CB-CD1 3.6Å; Q417-L421 HydrophobicContact CG-CD1 4.08Å; Q417-L421 HydrophobicContact CG-CG 4.29Å; Q417-L421 VanDerWaalsContact O-CG 3.3Å; Q417-L421 WeakPolarHBondContact O-CG 3.34Å; Q417-L421 PolarHBondContact O-N 3.03Å; V418-L421 PolarHBondContact O-N 3.39Å; M419-L421 PolarHBondContact O-N 2.63Å; L421-Y425 HydrophobicContact CD2-CD2 3.91Å; L421-Y425 HydrophobicContact CD2-CE2 3.88Å; L421-Y425 PolarHBondContact O-N 2.88Å
422	W	92.3	Very high	91.4	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.019	11%	0.112	C	C	.	.	I	π-helix	trans	-58.3	-59.6	175	171.5	-108.7	0	0	0	111	H246 L358 L361 Q362 V418 M419 F420 T424 L426 S427	H246-W422 AromaticContact CE1-CH2 3.72Å; L358-W422 HydrophobicContact CB-CZ3 4.18Å; L358-W422 HydrophobicContact CD2-CZ3 4.17Å; L358-W422 WeakPolarHBondContact O-CZ3 3.3Å; L361-W422 HydrophobicContact CB-CB 4.26Å; L361-W422 HydrophobicContact CB-CD2 4.45Å; L361-W422 HydrophobicContact CB-CE3 3.89Å; Q362-W422 HydrophobicContact CB-CD2 4.18Å; Q362-W422 HydrophobicContact CB-CE3 4.27Å; Q362-W422 HydrophobicContact CB-CH2 3.61Å; Q362-W422 HydrophobicContact CB-CZ2 3.51Å; Q362-W422 HydrophobicContact CB-CZ3 4Å; Q362-W422 HydrophobicContact CG-CH2 3.95Å; Q362-W422 HydrophobicContact CG-CZ2 3.48Å; Q362-W422 VanDerWaalsContact CG-CZ2 3.48Å; V418-W422 VanDerWaalsContact O-CB 3.3Å; V418-W422 WeakPolarHBondContact O-CB 2.97Å; V418-W422 PolarHBondContact O-N 2.75Å; M419-W422 PolarHBondContact O-N 2.79Å; F420-W422 PolarHBondContact O-N 3.47Å; W422-T424 VanDerWaalsContact C-N 3.3Å; W422-T424 PolarHBondContact O-N 3.29Å; W422-L426 HydrophobicContact CE3-CB 4.05Å; W422-L426 HydrophobicContact CZ3-CB 4.46Å; W422-L426 WeakPolarHBondContact CZ3-O 3.19Å; W422-L426 CarbonylContact O-C 3.55Å; W422-L426 PolarHBondContact O-N 2.87Å; W422-L426 VanDerWaalsContact O-N 3.13Å; W422-S427 VanDerWaalsContact O-CB 3.27Å; W422-S427 WeakPolarHBondContact O-CB 3.37Å; W422-S427 PolarHBondContact O-N 3.18Å; W422-S427 PolarHBondContact O-OG 3.49Å
423	H	85.4	Confident	91.7	Very high	48 Å²	48	20.8 Å²	20.8	22%	0.222	10%	0.096	C	C	.	.	I	π-helix	trans	-64.7	-35.3	-173.5	-75.5	-58.5	0	0	0	112.9	M419 F420 S427	M419-H423 WeakPolarHBondContact O-CB 3.37Å; M419-H423 PolarHBondContact O-CD2 2.86Å; M419-H423 PolarHBondContact O-N 3.36Å; F420-H423 PolarHBondContact O-N 2.73Å; H423-S427 PolarHBondContact O-OG 2.78Å
424	T	87.1	Confident	91.9	Very high	14 Å²	14	17.1 Å²	17.1	9%	0.086	8%	0.08	C	C	.	.	I	π-helix	trans	-81.8	-45	-174.7	-47.7	0	0	0	0	112.3	F420 W422 L461	F420-T424 WeakPolarHBondContact CD2-OG1 3.43Å; F420-T424 HydrophobicContact CE2-CG2 4.31Å; F420-T424 WeakPolarHBondContact CE2-OG1 3.46Å; F420-T424 VanDerWaalsContact O-CB 3.22Å; F420-T424 WeakPolarHBondContact O-CB 3.4Å; F420-T424 PolarHBondContact O-N 2.66Å; F420-T424 PolarHBondContact O-OG1 2.98Å; W422-T424 VanDerWaalsContact C-N 3.3Å; W422-T424 PolarHBondContact O-N 3.29Å; T424-L461 VanDerWaalsContact O-CD1 3.29Å; T424-L461 WeakPolarHBondContact O-CD1 2.97Å
425	Y	93.6	Very high	91.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-120	-20.5	-165.4	-52.7	-61.8	0	0	0	115.1	I382 F420 L421 S431 I432 T435 W454 G459 G460 L461	I382-Y425 HydrophobicContact CD1-CD2 3.82Å; I382-Y425 HydrophobicContact CD1-CE2 4.4Å; I382-Y425 HydrophobicContact CD1-CG 4.3Å; I382-Y425 HydrophobicContact CG1-CD2 4.42Å; F420-Y425 AromaticContact CE1-CE2 3.99Å; F420-Y425 HydrophobicContact CE1-CE2 3.99Å; F420-Y425 AromaticContact CZ-CE2 3.9Å; F420-Y425 HydrophobicContact CZ-CE2 3.9Å; L421-Y425 HydrophobicContact CD2-CD2 3.91Å; L421-Y425 HydrophobicContact CD2-CE2 3.88Å; L421-Y425 PolarHBondContact O-N 2.88Å; Y425-S431 CarbonylContact O-C 3.52Å; Y425-S431 WeakPolarHBondContact O-CB 3.17Å; Y425-I432 WeakPolarHBondContact O-CG1 3.41Å; Y425-I432 PolarHBondContact O-N 2.81Å; Y425-T435 HydrophobicContact CD1-CG2 4.03Å; Y425-T435 WeakPolarHBondContact CD1-OG1 3.42Å; Y425-W454 HydrophobicContact CD1-CZ3 4.25Å; Y425-W454 AromaticContact CE1-CE3 3.68Å; Y425-W454 HydrophobicContact CE1-CE3 3.68Å; Y425-W454 AromaticContact CE1-CZ3 3.6Å; Y425-W454 HydrophobicContact CE1-CZ3 3.6Å; Y425-W454 WeakPolarHBondContact CE2-O 3.41Å; Y425-W454 AromaticContact CZ-CE3 3.74Å; Y425-W454 WeakPolarHBondContact OH-CA 3.44Å; Y425-W454 PolarHBondContact OH-O 2.95Å; Y425-G459 WeakPolarHBondContact OH-CA 3.4Å; Y425-G460 PolarHBondContact OH-N 3Å; Y425-L461 HydrophobicContact CD1-CD1 4.19Å; Y425-L461 HydrophobicContact CD1-CG 4Å; Y425-L461 HydrophobicContact CE1-CG 4.06Å
426	L	94.4	Very high	92.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-128.5	-1.5	-164.1	-61.7	172.2	0	0	0	114.6	P240 H246 L358 L361 P377 F378 W384 W422 S428 I432	P240-L426 HydrophobicContact CB-CD2 4.33Å; P240-L426 HydrophobicContact CG-CD2 3.85Å; H246-L426 PolarHBondContact CE1-O 2.81Å; H246-L426 PolarHBondContact NE2-O 3.09Å; L358-L426 HydrophobicContact CD2-CB 3.97Å; L358-L426 HydrophobicContact CD2-CD1 4.4Å; L358-L426 HydrophobicContact CD2-CD2 4.23Å; L358-L426 HydrophobicContact CD2-CG 4.44Å; L361-L426 HydrophobicContact CD1-CD1 3.52Å; P377-L426 HydrophobicContact CB-CD2 4.48Å; F378-L426 HydrophobicContact CD2-CD2 4.22Å; F378-L426 HydrophobicContact CE2-CD2 3.72Å; W384-L426 HydrophobicContact CH2-CD1 3.81Å; W384-L426 HydrophobicContact CZ2-CD1 4.39Å; W422-L426 HydrophobicContact CE3-CB 4.05Å; W422-L426 HydrophobicContact CZ3-CB 4.46Å; W422-L426 WeakPolarHBondContact CZ3-O 3.19Å; W422-L426 CarbonylContact O-C 3.55Å; W422-L426 PolarHBondContact O-N 2.87Å; W422-L426 VanDerWaalsContact O-N 3.13Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.44Å; L426-I432 HydrophobicContact CD2-CG1 4.25Å
427	S	89.3	Confident	92.6	Very high	7 Å²	7	7.8 Å²	7.8	5%	0.049	4%	0.039	C	C	.	.	S	Bend	trans	-71.4	-23.3	-176.1	47.2	0	0	0	0	113.8	P247 S250 W422 H423 S431	P247-S427 VanDerWaalsContact CG-O 3.28Å; P247-S427 WeakPolarHBondContact CG-O 3.48Å; S250-S427 PolarHBondContact OG-OG 3.29Å; W422-S427 VanDerWaalsContact O-CB 3.27Å; W422-S427 WeakPolarHBondContact O-CB 3.37Å; W422-S427 PolarHBondContact O-N 3.18Å; W422-S427 PolarHBondContact O-OG 3.49Å; H423-S427 PolarHBondContact O-OG 2.78Å; S427-S431 PolarHBondContact OG-OG 2.82Å
428	S	91.5	Very high	92.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-150.3	160.2	-177.4	79.5	0	0	0	0	112.1	H246 P247 L248 L426 E430 S431 I432	H246-S428 WeakPolarHBondContact NE2-CA 2.99Å; H246-S428 PolarHBondContact NE2-N 2.75Å; P247-S428 WeakPolarHBondContact O-CA 3.15Å; L248-S428 WeakPolarHBondContact O-CB 3.19Å; L248-S428 PolarHBondContact O-OG 2.97Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.44Å; S428-E430 VanDerWaalsContact C-N 3.25Å; S428-E430 PolarHBondContact O-N 2.74Å; S428-E430 PolarHBondContact OG-N 3.11Å; S428-S431 PolarHBondContact O-N 2.75Å; S428-S431 PolarHBondContact OG-N 2.91Å; S428-S431 VanDerWaalsContact OG-N 3.11Å; S428-S431 PolarHBondContact OG-OG 3.25Å; S428-I432 WeakPolarHBondContact O-CG1 3.41Å; S428-I432 PolarHBondContact O-N 3.4Å; S428-I432 VanDerWaalsContact O-N 3.16Å
429	I	94.8	Very high	92.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.6	-37.7	174.8	-64	-169.2	0	0	0	110.9	T112 K115 I116 I242 P247 I432 V433	T112-I429 HydrophobicContact CG2-CD1 3.82Å; K115-I429 HydrophobicContact CB-CB 4.36Å; K115-I429 HydrophobicContact CB-CD1 3.68Å; K115-I429 HydrophobicContact CB-CG2 4.12Å; K115-I429 HydrophobicContact CD-CD1 3.59Å; K115-I429 HydrophobicContact CG-CD1 4.29Å; I116-I429 HydrophobicContact CB-CG2 4.49Å; I116-I429 HydrophobicContact CG1-CG2 3.64Å; I242-I429 HydrophobicContact CG2-CD1 4.09Å; I242-I429 HydrophobicContact CG2-CG1 4.15Å; P247-I429 PolarHBondContact O-N 3.46Å; I429-I432 PolarHBondContact O-N 2.97Å; I429-V433 HydrophobicContact CG2-CG2 4.11Å; I429-V433 WeakPolarHBondContact O-CB 3.46Å; I429-V433 VanDerWaalsContact O-CG2 3.3Å; I429-V433 WeakPolarHBondContact O-CG2 3.39Å; I429-V433 PolarHBondContact O-N 2.66Å
430	E	92.5	Very high	93.2	Very high	6 Å²	6	6.8 Å²	6.8	3%	0.028	3%	0.033	C	C	.	.	H	α-helix	trans	-59.2	-48	175.9	-172.5	176.6	-113	0	0	111.5	A119 L248 Q249 S428 I432 V433 L434 T742	A119-E430 HydrophobicContact CB-CB 4.06Å; A119-E430 HydrophobicContact CB-CG 4.16Å; L248-E430 VanDerWaalsContact O-CB 3.23Å; L248-E430 WeakPolarHBondContact O-CB 3.33Å; L248-E430 PolarHBondContact O-N 3.4Å; Q249-E430 PolarHBondContact NE2-OE1 3.02Å; S428-E430 VanDerWaalsContact C-N 3.25Å; S428-E430 PolarHBondContact O-N 2.74Å; S428-E430 PolarHBondContact OG-N 3.11Å; E430-I432 VanDerWaalsContact C-N 3.31Å; E430-I432 PolarHBondContact O-N 3.49Å; E430-V433 PolarHBondContact O-N 2.86Å; E430-L434 HydrophobicContact CG-CD1 4.09Å; E430-L434 HydrophobicContact CG-CG 4.45Å; E430-L434 WeakPolarHBondContact O-CB 3.38Å; E430-L434 VanDerWaalsContact O-CG 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.26Å; E430-L434 PolarHBondContact O-N 2.56Å; E430-T742 HydrophobicContact CG-CG2 3.53Å; E430-T742 WeakPolarHBondContact OE1-CG2 3.49Å; E430-T742 PolarHBondContact OE1-OG1 3.06Å
431	S	92.6	Very high	93.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56	-44.9	175.2	-44.2	0	0	0	0	112	Y425 S427 S428 T435 P740	Y425-S431 CarbonylContact O-C 3.52Å; Y425-S431 WeakPolarHBondContact O-CB 3.17Å; S427-S431 PolarHBondContact OG-OG 2.82Å; S428-S431 PolarHBondContact O-N 2.75Å; S428-S431 PolarHBondContact OG-N 2.91Å; S428-S431 VanDerWaalsContact OG-N 3.11Å; S428-S431 PolarHBondContact OG-OG 3.25Å; S431-T435 VanDerWaalsContact O-CB 3.24Å; S431-T435 WeakPolarHBondContact O-CB 3.48Å; S431-T435 PolarHBondContact O-N 3.3Å; S431-T435 PolarHBondContact O-OG1 3.19Å; S431-P740 WeakPolarHBondContact OG-CD 3.08Å; S431-P740 VanDerWaalsContact OG-CG 3.22Å; S431-P740 WeakPolarHBondContact OG-CG 3.33Å
432	I	96.5	Very high	93.3	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-64.9	-45.8	-178.7	-67.6	167	0	0	0	110.6	L239 P240 I242 F378 Y425 L426 S428 I429 E430 T435 T436	L239-I432 HydrophobicContact CD2-CG2 4.05Å; P240-I432 HydrophobicContact CG-CD1 3.71Å; P240-I432 HydrophobicContact CG-CG1 4.28Å; I242-I432 HydrophobicContact CD1-CD1 3.7Å; I242-I432 HydrophobicContact CD1-CG2 4.15Å; I242-I432 HydrophobicContact CG1-CD1 4.01Å; F378-I432 HydrophobicContact CZ-CB 4.4Å; F378-I432 HydrophobicContact CZ-CG2 3.93Å; Y425-I432 WeakPolarHBondContact O-CG1 3.41Å; Y425-I432 PolarHBondContact O-N 2.81Å; L426-I432 HydrophobicContact CD2-CG1 4.25Å; S428-I432 WeakPolarHBondContact O-CG1 3.41Å; S428-I432 PolarHBondContact O-N 3.4Å; S428-I432 VanDerWaalsContact O-N 3.16Å; I429-I432 PolarHBondContact O-N 2.97Å; E430-I432 VanDerWaalsContact C-N 3.31Å; E430-I432 PolarHBondContact O-N 3.49Å; I432-T435 PolarHBondContact O-N 2.95Å; I432-T436 WeakPolarHBondContact O-CB 3.35Å; I432-T436 PolarHBondContact O-N 3.28Å; I432-T436 PolarHBondContact O-OG1 3.02Å
433	V	96.9	Very high	93.3	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-65.3	-48.2	-179.7	169.6	0	0	0	0	110.5	I116 A119 L120 F197 I429 E430 T435 T436 L437	I116-V433 HydrophobicContact CB-CG2 4.26Å; I116-V433 HydrophobicContact CG1-CG2 4.01Å; I116-V433 HydrophobicContact CG2-CG2 3.95Å; A119-V433 HydrophobicContact CB-CB 4.21Å; A119-V433 HydrophobicContact CB-CG1 4.3Å; A119-V433 HydrophobicContact CB-CG2 4.34Å; L120-V433 HydrophobicContact CD2-CG1 3.46Å; L120-V433 VanDerWaalsContact CD2-CG1 3.46Å; L120-V433 HydrophobicContact CG-CG1 3.84Å; F197-V433 HydrophobicContact CE1-CG2 4.48Å; I429-V433 HydrophobicContact CG2-CG2 4.11Å; I429-V433 WeakPolarHBondContact O-CB 3.46Å; I429-V433 VanDerWaalsContact O-CG2 3.3Å; I429-V433 WeakPolarHBondContact O-CG2 3.39Å; I429-V433 PolarHBondContact O-N 2.66Å; E430-V433 PolarHBondContact O-N 2.86Å; V433-T435 VanDerWaalsContact C-N 3.34Å; V433-T435 PolarHBondContact O-N 3.04Å; V433-T436 VanDerWaalsContact O-CB 3.3Å; V433-T436 WeakPolarHBondContact O-CB 3.34Å; V433-T436 PolarHBondContact O-N 3.42Å; V433-L437 WeakPolarHBondContact O-CG 3.27Å; V433-L437 PolarHBondContact O-N 3.42Å
434	L	94.7	Very high	93.6	Very high	19 Å²	19	7.6 Å²	7.6	10%	0.099	4%	0.038	C	C	.	.	H	α-helix	trans	-62.9	-41.6	177.8	-67.2	178.2	0	0	0	111.6	E430 T436 L437 E438 L461 T742	E430-L434 HydrophobicContact CG-CD1 4.09Å; E430-L434 HydrophobicContact CG-CG 4.45Å; E430-L434 WeakPolarHBondContact O-CB 3.38Å; E430-L434 VanDerWaalsContact O-CG 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.26Å; E430-L434 PolarHBondContact O-N 2.56Å; L434-T436 VanDerWaalsContact C-N 3.27Å; L434-T436 PolarHBondContact O-N 3.34Å; L434-L437 PolarHBondContact O-N 3.3Å; L434-E438 VanDerWaalsContact O-CB 3.25Å; L434-E438 WeakPolarHBondContact O-CB 3.2Å; L434-E438 VanDerWaalsContact O-CG 3.31Å; L434-E438 WeakPolarHBondContact O-CG 3.46Å; L434-E438 PolarHBondContact O-N 3.25Å; L434-L461 HydrophobicContact CB-CD2 4.07Å; L434-T742 HydrophobicContact CD1-CG2 3.73Å; L434-T742 HydrophobicContact CD2-CG2 4.38Å; L434-T742 HydrophobicContact CG-CG2 4.43Å
435	T	95.9	Very high	93.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.3	-43.1	176.3	-58.8	0	0	0	0	110.7	F378 Y425 S431 I432 V433 L437 E438 I439 W454	F378-T435 HydrophobicContact CD1-CG2 3.87Å; F378-T435 HydrophobicContact CD2-CG2 3.72Å; F378-T435 HydrophobicContact CE1-CG2 3.88Å; F378-T435 HydrophobicContact CE2-CG2 3.72Å; F378-T435 HydrophobicContact CG-CG2 3.78Å; F378-T435 HydrophobicContact CZ-CG2 3.79Å; Y425-T435 HydrophobicContact CD1-CG2 4.03Å; Y425-T435 WeakPolarHBondContact CD1-OG1 3.42Å; S431-T435 VanDerWaalsContact O-CB 3.24Å; S431-T435 WeakPolarHBondContact O-CB 3.48Å; S431-T435 PolarHBondContact O-N 3.3Å; S431-T435 PolarHBondContact O-OG1 3.19Å; I432-T435 PolarHBondContact O-N 2.95Å; V433-T435 VanDerWaalsContact C-N 3.34Å; V433-T435 PolarHBondContact O-N 3.04Å; T435-L437 PolarHBondContact O-N 3.46Å; T435-E438 PolarHBondContact O-N 3.42Å; T435-I439 HydrophobicContact CG2-CD1 3.95Å; T435-I439 WeakPolarHBondContact O-CD1 3.39Å; T435-I439 VanDerWaalsContact O-CG1 3.25Å; T435-I439 WeakPolarHBondContact O-CG1 3.46Å; T435-I439 PolarHBondContact O-N 2.71Å; T435-W454 HydrophobicContact CG2-CH2 4.47Å; T435-W454 HydrophobicContact CG2-CZ3 4.05Å
436	T	97.7	Very high	92.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-49.4	175.5	-56.3	0	0	0	0	111.1	L195 F197 A222 I237 I432 V433 L434 I439 I440	L195-T436 HydrophobicContact CD2-CG2 3.95Å; F197-T436 HydrophobicContact CE1-CG2 4.27Å; F197-T436 HydrophobicContact CZ-CG2 4.21Å; A222-T436 HydrophobicContact CB-CG2 3.9Å; I237-T436 HydrophobicContact CB-CG2 4.43Å; I237-T436 HydrophobicContact CD1-CG2 3.47Å; I237-T436 VanDerWaalsContact CD1-CG2 3.47Å; I237-T436 HydrophobicContact CG2-CG2 4.18Å; I432-T436 WeakPolarHBondContact O-CB 3.35Å; I432-T436 PolarHBondContact O-N 3.28Å; I432-T436 PolarHBondContact O-OG1 3.02Å; V433-T436 VanDerWaalsContact O-CB 3.3Å; V433-T436 WeakPolarHBondContact O-CB 3.34Å; V433-T436 PolarHBondContact O-N 3.42Å; L434-T436 VanDerWaalsContact C-N 3.27Å; L434-T436 PolarHBondContact O-N 3.34Å; T436-I439 PolarHBondContact O-N 2.92Å; T436-I440 WeakPolarHBondContact O-CG1 3.34Å; T436-I440 PolarHBondContact O-N 3.19Å
437	L	95.8	Very high	92	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.9	-40.4	-179.9	-66.6	-179.5	0	0	0	112.6	F95 V97 L120 L125 I137 L195 V433 L434 T435 I440 R441	F95-L437 HydrophobicContact CE1-CB 4.46Å; V97-L437 HydrophobicContact CG2-CD1 4.14Å; V97-L437 HydrophobicContact CG2-CD2 3.91Å; L120-L437 HydrophobicContact CD2-CD1 3.83Å; L125-L437 HydrophobicContact CD1-CB 3.91Å; L125-L437 HydrophobicContact CD1-CD1 3.93Å; I137-L437 HydrophobicContact CD1-CD2 4.23Å; L195-L437 HydrophobicContact CD2-CD2 4.23Å; V433-L437 WeakPolarHBondContact O-CG 3.27Å; V433-L437 PolarHBondContact O-N 3.42Å; L434-L437 PolarHBondContact O-N 3.3Å; T435-L437 PolarHBondContact O-N 3.46Å; L437-I440 PolarHBondContact O-N 3.22Å; L437-R441 WeakPolarHBondContact O-CB 3.46Å; L437-R441 PolarHBondContact O-N 2.79Å
438	E	93.3	Very high	91.8	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-68.3	-34.4	-179.7	-78.4	-60.9	143.1	0	0	112	L434 T435 R441 D442 R449 W454 L461 H465	L434-E438 VanDerWaalsContact O-CB 3.25Å; L434-E438 WeakPolarHBondContact O-CB 3.2Å; L434-E438 VanDerWaalsContact O-CG 3.31Å; L434-E438 WeakPolarHBondContact O-CG 3.46Å; L434-E438 PolarHBondContact O-N 3.25Å; T435-E438 PolarHBondContact O-N 3.42Å; E438-R441 WeakPolarHBondContact O-CB 3.42Å; E438-R441 PolarHBondContact O-N 3.36Å; E438-R441 IonicContact OE1-NH1 2.72Å; E438-R441 PolarHBondContact OE1-NH1 3.4Å; E438-D442 PolarHBondContact O-N 3.04Å; E438-R449 PolarHBondContact O-NH2 3.34Å; E438-R449 IonicContact OE2-CZ 2.77Å; E438-R449 IonicContact OE2-NH1 3.71Å; E438-R449 PolarHBondContact OE2-NH1 3.11Å; E438-R449 IonicContact OE2-NH2 3.81Å; E438-R449 PolarHBondContact OE2-NH2 3.2Å; E438-W454 HydrophobicContact CB-CH2 4.05Å; E438-L461 HydrophobicContact CB-CD2 4.23Å; E438-L461 HydrophobicContact CG-CD2 4.01Å; E438-H465 IonicContact OE2-CD2 3.18Å; E438-H465 PolarHBondContact OE2-CD2 2.78Å; E438-H465 IonicContact OE2-NE2 3.59Å
439	I	95.4	Very high	91.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-44.4	169.2	-70.1	164.4	0	0	0	110.9	I237 F378 V381 T435 T436 R441 D442 R443 W454	I237-I439 HydrophobicContact CD1-CG2 4.45Å; F378-I439 HydrophobicContact CB-CD1 3.83Å; F378-I439 HydrophobicContact CD1-CD1 3.47Å; F378-I439 VanDerWaalsContact CD1-CD1 3.47Å; F378-I439 HydrophobicContact CE1-CD1 4.32Å; F378-I439 HydrophobicContact CG-CD1 3.94Å; V381-I439 HydrophobicContact CG1-CG1 4.09Å; V381-I439 HydrophobicContact CG2-CD1 3.73Å; V381-I439 HydrophobicContact CG2-CG1 3.81Å; T435-I439 HydrophobicContact CG2-CD1 3.95Å; T435-I439 WeakPolarHBondContact O-CD1 3.39Å; T435-I439 VanDerWaalsContact O-CG1 3.25Å; T435-I439 WeakPolarHBondContact O-CG1 3.46Å; T435-I439 PolarHBondContact O-N 2.71Å; T436-I439 PolarHBondContact O-N 2.92Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.75Å; I439-D442 PolarHBondContact O-N 3.4Å; I439-R443 WeakPolarHBondContact O-CG 3.44Å; I439-R443 PolarHBondContact O-N 2.92Å; I439-W454 HydrophobicContact CG1-CH2 4.02Å; I439-W454 HydrophobicContact CG1-CZ2 4.16Å
440	I	95.4	Very high	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-40.6	177.4	-60.8	170.5	0	0	0	110.4	F95 I135 L195 M220 I237 T436 L437 D442 R443 V444	F95-I440 HydrophobicContact CE2-CB 4.47Å; F95-I440 HydrophobicContact CE2-CG2 3.87Å; F95-I440 HydrophobicContact CZ-CB 4.08Å; F95-I440 HydrophobicContact CZ-CG2 3.87Å; I135-I440 HydrophobicContact CD1-CG2 3.81Å; I135-I440 HydrophobicContact CG1-CG2 4.05Å; L195-I440 HydrophobicContact CD1-CD1 3.93Å; L195-I440 HydrophobicContact CD2-CD1 3.72Å; L195-I440 HydrophobicContact CG-CD1 4.32Å; M220-I440 HydrophobicContact CE-CD1 4.2Å; M220-I440 HydrophobicContact CE-CG2 4.31Å; M220-I440 HydrophobicContact SD-CD1 4.47Å; I237-I440 HydrophobicContact CD1-CD1 3.75Å; I237-I440 HydrophobicContact CD1-CG1 3.51Å; T436-I440 WeakPolarHBondContact O-CG1 3.34Å; T436-I440 PolarHBondContact O-N 3.19Å; L437-I440 PolarHBondContact O-N 3.22Å; I440-D442 VanDerWaalsContact C-N 3.33Å; I440-D442 PolarHBondContact O-N 2.99Å; I440-R443 WeakPolarHBondContact O-CB 3.47Å; I440-R443 PolarHBondContact O-N 3.4Å; I440-V444 PolarHBondContact O-N 3.36Å
441	R	92.5	Very high	91.3	Very high	40 Å²	40	38.6 Å²	38.6	15%	0.151	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-42.9	175.6	-170	178.5	-171.9	171.9	6.7	111.9	F95 L437 E438 I439 R443 V444 S445	F95-R441 HydrophobicContact CB-CG 3.94Å; F95-R441 HydrophobicContact CD1-CB 3.96Å; F95-R441 HydrophobicContact CD1-CG 4Å; F95-R441 HydrophobicContact CD2-CB 4.29Å; F95-R441 HydrophobicContact CD2-CG 4.3Å; F95-R441 HydrophobicContact CE1-CB 4.08Å; F95-R441 HydrophobicContact CE2-CB 4.4Å; F95-R441 HydrophobicContact CG-CB 4.06Å; F95-R441 HydrophobicContact CG-CG 3.82Å; F95-R441 HydrophobicContact CZ-CB 4.29Å; L437-R441 WeakPolarHBondContact O-CB 3.46Å; L437-R441 PolarHBondContact O-N 2.79Å; E438-R441 WeakPolarHBondContact O-CB 3.42Å; E438-R441 PolarHBondContact O-N 3.36Å; E438-R441 IonicContact OE1-NH1 2.72Å; E438-R441 PolarHBondContact OE1-NH1 3.4Å; I439-R441 VanDerWaalsContact C-N 3.31Å; I439-R441 PolarHBondContact O-N 2.75Å; R441-R443 PolarHBondContact O-N 3.35Å; R441-V444 WeakPolarHBondContact O-CG2 3.43Å; R441-V444 PolarHBondContact O-N 3.12Å; R441-S445 WeakPolarHBondContact O-CB 3.32Å; R441-S445 PolarHBondContact O-N 2.96Å
442	D	91.7	Very high	91.2	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-35.5	173.9	-78.4	6.9	0	0	0	111.6	E438 I439 I440 R448 R449 W454 H465	E438-D442 PolarHBondContact O-N 3.04Å; I439-D442 PolarHBondContact O-N 3.4Å; I440-D442 VanDerWaalsContact C-N 3.33Å; I440-D442 PolarHBondContact O-N 2.99Å; D442-R448 VanDerWaalsContact O-CD 3.23Å; D442-R448 WeakPolarHBondContact O-CD 3.49Å; D442-R448 WeakPolarHBondContact O-CG 3.31Å; D442-R448 PolarHBondContact O-NE 3Å; D442-R449 IonicContact OD1-CZ 2.92Å; D442-R449 IonicContact OD1-NE 2.77Å; D442-R449 PolarHBondContact OD1-NE 3.09Å; D442-R449 IonicContact OD1-NH2 3.57Å; D442-R449 PolarHBondContact OD1-NH2 3.38Å; D442-R449 IonicContact OD2-CZ 3.33Å; D442-R449 IonicContact OD2-NE 3.39Å; D442-R449 PolarHBondContact OD2-NE 2.91Å; D442-R449 IonicContact OD2-NH2 3.16Å; D442-W454 WeakPolarHBondContact OD2-CZ2 3.23Å; D442-W454 PolarHBondContact OD2-NE1 3.04Å; D442-H465 IonicContact OD1-CD2 2.75Å; D442-H465 IonicContact OD1-CE1 3.42Å; D442-H465 PolarHBondContact OD1-CE1 3.37Å; D442-H465 IonicContact OD1-NE2 3.26Å; D442-H465 PolarHBondContact OD1-NE2 3.24Å
443	R	92.4	Very high	90.9	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-68.3	-41.3	-179.4	-64.2	170.1	-174.8	173.1	-2.5	112.3	M82 K234 F235 D236 E380 I439 I440 R441 R448	M82-R443 HydrophobicContact CE-CB 4.02Å; K234-R443 VanDerWaalsContact C-CZ 3.45Å; K234-R443 WeakPolarHBondContact O-CD 3.34Å; K234-R443 PolarHBondContact O-NE 2.93Å; F235-R443 VanDerWaalsContact C-NH1 3.29Å; F235-R443 PolarHBondContact O-NH1 3.45Å; D236-R443 PolarHBondContact O-NH2 3.24Å; E380-R443 IonicContact OE1-NE 3.89Å; E380-R443 PolarHBondContact OE1-NE 3.48Å; E380-R443 IonicContact OE2-CZ 2.66Å; E380-R443 VanDerWaalsContact OE2-CZ 3.31Å; E380-R443 IonicContact OE2-NE 3.94Å; E380-R443 PolarHBondContact OE2-NE 3.48Å; E380-R443 VanDerWaalsContact OE2-NE 3.16Å; E380-R443 IonicContact OE2-NH2 3.26Å; E380-R443 PolarHBondContact OE2-NH2 3.36Å; I439-R443 WeakPolarHBondContact O-CG 3.44Å; I439-R443 PolarHBondContact O-N 2.92Å; I440-R443 WeakPolarHBondContact O-CB 3.47Å; I440-R443 PolarHBondContact O-N 3.4Å; R441-R443 PolarHBondContact O-N 3.35Å; R443-R448 PolarHBondContact O-NH2 3.29Å
444	V	92.1	Very high	90.7	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-88.2	-25.7	-174.7	-56.1	0	0	0	0	113.8	M82 F86 Y88 C91 F95 I440 R441	M82-V444 HydrophobicContact CE-CG1 4.07Å; F86-V444 HydrophobicContact CD1-CG1 4.34Å; F86-V444 HydrophobicContact CE1-CG1 3.4Å; F86-V444 HydrophobicContact CZ-CG1 3.57Å; Y88-V444 HydrophobicContact CD1-CB 4.2Å; Y88-V444 HydrophobicContact CD1-CG1 4.14Å; Y88-V444 HydrophobicContact CE1-CB 4.43Å; Y88-V444 HydrophobicContact CE1-CG1 4.18Å; C91-V444 HydrophobicContact CB-CB 4.21Å; C91-V444 HydrophobicContact CB-CG2 4.29Å; F95-V444 HydrophobicContact CD2-CG2 3.65Å; F95-V444 HydrophobicContact CE2-CG2 3.98Å; I440-V444 PolarHBondContact O-N 3.36Å; R441-V444 WeakPolarHBondContact O-CG2 3.43Å; R441-V444 PolarHBondContact O-N 3.12Å
445	S	85.4	Confident	90.7	Very high	34 Å²	34	40.3 Å²	40.3	24%	0.238	18%	0.182	C	C	.	.	S	Bend	trans	-74.9	144	177.1	-178.4	0	0	0	0	111.2	R441 R447	R441-S445 WeakPolarHBondContact O-CB 3.32Å; R441-S445 PolarHBondContact O-N 2.96Å; S445-R447 VanDerWaalsContact CB-O 3.24Å; S445-R447 WeakPolarHBondContact CB-O 3.25Å; S445-R447 PolarHBondContact O-N 2.88Å; S445-R447 PolarHBondContact OG-N 3.18Å; S445-R447 PolarHBondContact OG-O 2.91Å
446	L	78.4	Confident	90.4	Very high	182 Å²	182	42.1 Å²	42.1	95%	0.953	19%	0.193	S	C	*	.	S	Bend	trans	-66.3	-22.2	166.7	-66.1	176.5	0	0	0	111.9
447	R	78.1	Confident	89.9	Confident	156 Å²	156	44.6 Å²	44.6	59%	0.589	21%	0.206	S	C	*	.	S	Bend	trans	-107.3	118.4	179.6	-55.8	-178.2	177.1	179.2	-2.3	108.5	S445 H465 M469	S445-R447 VanDerWaalsContact CB-O 3.24Å; S445-R447 WeakPolarHBondContact CB-O 3.25Å; S445-R447 PolarHBondContact O-N 2.88Å; S445-R447 PolarHBondContact OG-N 3.18Å; S445-R447 PolarHBondContact OG-O 2.91Å; R447-H465 PolarHBondContact O-CE1 2.84Å; R447-H465 PolarHBondContact O-ND1 3.2Å; R447-M469 HydrophobicContact CB-CB 4.5Å; R447-M469 HydrophobicContact CB-CG 3.94Å
448	R	84.5	Confident	89.5	Confident	155 Å²	155	44.6 Å²	44.6	59%	0.585	21%	0.206	S	C	*	.			trans	-116.8	142.5	-179	-51	-166.5	169.2	153.1	-2.9	109.4	D442 R443	D442-R448 VanDerWaalsContact O-CD 3.23Å; D442-R448 WeakPolarHBondContact O-CD 3.49Å; D442-R448 WeakPolarHBondContact O-CG 3.31Å; D442-R448 PolarHBondContact O-NE 3Å; R443-R448 PolarHBondContact O-NH2 3.29Å
449	R	88.2	Confident	89.3	Confident	14 Å²	14	43.5 Å²	43.5	5%	0.053	20%	0.201	C	C	.	.			trans	-64.8	141.4	169.9	-72.8	169.4	-73	-134.4	-17.9	109.7	E438 D442 I453 W454 G460 H465 M469	E438-R449 PolarHBondContact O-NH2 3.34Å; E438-R449 IonicContact OE2-CZ 2.77Å; E438-R449 IonicContact OE2-NH1 3.71Å; E438-R449 PolarHBondContact OE2-NH1 3.11Å; E438-R449 IonicContact OE2-NH2 3.81Å; E438-R449 PolarHBondContact OE2-NH2 3.2Å; D442-R449 IonicContact OD1-CZ 2.92Å; D442-R449 IonicContact OD1-NE 2.77Å; D442-R449 PolarHBondContact OD1-NE 3.09Å; D442-R449 IonicContact OD1-NH2 3.57Å; D442-R449 PolarHBondContact OD1-NH2 3.38Å; D442-R449 IonicContact OD2-CZ 3.33Å; D442-R449 IonicContact OD2-NE 3.39Å; D442-R449 PolarHBondContact OD2-NE 2.91Å; D442-R449 IonicContact OD2-NH2 3.16Å; R449-I453 HydrophobicContact CB-CB 4.12Å; R449-I453 HydrophobicContact CB-CD1 4.2Å; R449-I453 HydrophobicContact CB-CG2 3.91Å; R449-I453 HydrophobicContact CG-CB 4.5Å; R449-I453 HydrophobicContact CG-CD1 4.25Å; R449-I453 HydrophobicContact CG-CG2 3.84Å; R449-W454 VanDerWaalsContact CZ-CZ2 3.41Å; R449-W454 VanDerWaalsContact NE-CZ2 3.3Å; R449-G460 PolarHBondContact NH1-O 2.91Å; R449-H465 PolarHBondContact NH2-NE2 3.19Å; R449-M469 HydrophobicContact CB-SD 4.49Å; R449-M469 HydrophobicContact CG-CE 3.92Å; R449-M469 HydrophobicContact CG-SD 3.44Å; R449-M469 WeakPolarHBondContact CG-SD 3.29Å
450	S	88.4	Confident	89	Confident	30 Å²	30	43.4 Å²	43.4	21%	0.21	20%	0.201	C	C	.	.			trans	-73.2	168.2	176.9	82.6	0	0	0	0	112	E452 I453 W454	S450-E452 WeakPolarHBondContact CB-OE2 3.14Å; S450-E452 PolarHBondContact O-N 3.46Å; S450-E452 PolarHBondContact OG-N 2.98Å; S450-E452 PolarHBondContact OG-OE2 2.91Å; S450-I453 PolarHBondContact O-N 2.99Å; S450-W454 PolarHBondContact O-N 2.02Å
451	Y	91	Very high	88.7	Confident	106 Å²	106	45.1 Å²	45.1	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-54.1	-41.1	173	166.7	-88.4	0	0	0	111.9	D383 R386 W454 N455	D383-Y451 HydrophobicContact CB-CE2 3.71Å; D383-Y451 PolarHBondContact OD2-OH 3.15Å; R386-Y451 WeakPolarHBondContact CD-OH 3.43Å; Y451-W454 PolarHBondContact O-N 3.36Å; Y451-N455 HydrophobicContact CE1-CB 4.33Å; Y451-N455 WeakPolarHBondContact O-CB 3.41Å; Y451-N455 PolarHBondContact O-N 3.48Å; Y451-N455 PolarHBondContact O-ND2 3.46Å
452	E	90.7	Very high	88.3	Confident	55 Å²	55	44 Å²	44	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-43.6	-178.1	-62.8	71	-154.8	0	0	111.1	S450 W454 N455 T456 I476 P480	S450-E452 WeakPolarHBondContact CB-OE2 3.14Å; S450-E452 PolarHBondContact O-N 3.46Å; S450-E452 PolarHBondContact OG-N 2.98Å; S450-E452 PolarHBondContact OG-OE2 2.91Å; E452-W454 VanDerWaalsContact C-N 3.32Å; E452-W454 PolarHBondContact O-N 3.36Å; E452-N455 PolarHBondContact O-N 3.17Å; E452-T456 WeakPolarHBondContact O-CB 3.48Å; E452-T456 PolarHBondContact O-N 2.8Å; E452-T456 PolarHBondContact O-OG1 3.28Å; E452-I476 HydrophobicContact CB-CD1 4.41Å; E452-P480 HydrophobicContact CG-CG 3.96Å
453	I	90.8	Very high	87.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-41.4	179.5	-69.2	168.8	0	0	0	111.2	R449 S450 G459 G460 V463 M469 V474	R449-I453 HydrophobicContact CB-CB 4.12Å; R449-I453 HydrophobicContact CB-CD1 4.2Å; R449-I453 HydrophobicContact CB-CG2 3.91Å; R449-I453 HydrophobicContact CG-CB 4.5Å; R449-I453 HydrophobicContact CG-CD1 4.25Å; R449-I453 HydrophobicContact CG-CG2 3.84Å; S450-I453 PolarHBondContact O-N 2.99Å; I453-G459 CarbonylContact O-C 3.48Å; I453-G459 VanDerWaalsContact O-C 3.28Å; I453-G459 WeakPolarHBondContact O-CA 3.42Å; I453-G460 PolarHBondContact O-N 3.27Å; I453-G460 VanDerWaalsContact O-N 3.17Å; I453-V463 HydrophobicContact CD1-CG1 4.26Å; I453-V463 HydrophobicContact CG2-CB 3.88Å; I453-V463 HydrophobicContact CG2-CG1 4.19Å; I453-V463 HydrophobicContact CG2-CG2 3.96Å; I453-M469 VanDerWaalsContact CD1-O 3.28Å; I453-M469 WeakPolarHBondContact CD1-O 3.46Å; I453-V474 HydrophobicContact CD1-CG2 4.29Å; I453-V474 HydrophobicContact CG1-CG2 3.97Å
454	W	92.9	Very high	86.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-73.8	-30.2	179.3	-76.6	111	0	0	0	113.2	V381 F420 Y425 T435 E438 I439 D442 R449 S450 Y451 E452	V381-W454 HydrophobicContact CB-CB 4.12Å; V381-W454 HydrophobicContact CB-CD2 3.68Å; V381-W454 HydrophobicContact CB-CE3 4.23Å; V381-W454 HydrophobicContact CB-CG 3.63Å; V381-W454 HydrophobicContact CG1-CD2 4.19Å; V381-W454 HydrophobicContact CG1-CG 4.26Å; V381-W454 HydrophobicContact CG1-CZ2 4.33Å; V381-W454 HydrophobicContact CG2-CD2 3.77Å; V381-W454 HydrophobicContact CG2-CE3 3.79Å; V381-W454 HydrophobicContact CG2-CG 4.2Å; V381-W454 HydrophobicContact CG2-CH2 4.48Å; V381-W454 HydrophobicContact CG2-CZ2 4.43Å; V381-W454 HydrophobicContact CG2-CZ3 4.17Å; V381-W454 WeakPolarHBondContact O-CB 3.3Å; F420-W454 WeakPolarHBondContact CE1-O 3.09Å; F420-W454 WeakPolarHBondContact CZ-O 3.38Å; Y425-W454 HydrophobicContact CD1-CZ3 4.25Å; Y425-W454 AromaticContact CE1-CE3 3.68Å; Y425-W454 HydrophobicContact CE1-CE3 3.68Å; Y425-W454 AromaticContact CE1-CZ3 3.6Å; Y425-W454 HydrophobicContact CE1-CZ3 3.6Å; Y425-W454 WeakPolarHBondContact CE2-O 3.41Å; Y425-W454 AromaticContact CZ-CE3 3.74Å; Y425-W454 WeakPolarHBondContact OH-CA 3.44Å; Y425-W454 PolarHBondContact OH-O 2.95Å; T435-W454 HydrophobicContact CG2-CH2 4.47Å; T435-W454 HydrophobicContact CG2-CZ3 4.05Å; E438-W454 HydrophobicContact CB-CH2 4.05Å; I439-W454 HydrophobicContact CG1-CH2 4.02Å; I439-W454 HydrophobicContact CG1-CZ2 4.16Å; D442-W454 WeakPolarHBondContact OD2-CZ2 3.23Å; D442-W454 PolarHBondContact OD2-NE1 3.04Å; R449-W454 VanDerWaalsContact CZ-CZ2 3.41Å; R449-W454 VanDerWaalsContact NE-CZ2 3.3Å; S450-W454 PolarHBondContact O-N 2.02Å; Y451-W454 PolarHBondContact O-N 3.36Å; E452-W454 VanDerWaalsContact C-N 3.32Å; E452-W454 PolarHBondContact O-N 3.36Å
455	N	93.8	Very high	85.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-109.4	3.9	-170.2	-68.9	-77.1	0	0	0	115.1	V381 D383 Q417 F420 Y451 E452	V381-N455 PolarHBondContact O-ND2 3.22Å; D383-N455 PolarHBondContact N-OD1 2.86Å; Q417-N455 PolarHBondContact NE2-O 2.84Å; Q417-N455 VanDerWaalsContact NE2-O 3.1Å; F420-N455 VanDerWaalsContact CE1-C 3.45Å; Y451-N455 HydrophobicContact CE1-CB 4.33Å; Y451-N455 WeakPolarHBondContact O-CB 3.41Å; Y451-N455 PolarHBondContact O-N 3.48Å; Y451-N455 PolarHBondContact O-ND2 3.46Å; E452-N455 PolarHBondContact O-N 3.17Å
456	T	90.4	Very high	84.6	Confident	38 Å²	38	47.3 Å²	47.3	23%	0.233	23%	0.227	C	C	.	.	S	Bend	trans	-136.4	153.6	175.8	67.5	0	0	0	0	110.7	F420 E452 G459	F420-T456 WeakPolarHBondContact CZ-O 3.34Å; E452-T456 WeakPolarHBondContact O-CB 3.48Å; E452-T456 PolarHBondContact O-N 2.8Å; E452-T456 PolarHBondContact O-OG1 3.28Å; T456-G459 WeakPolarHBondContact O-CA 3.46Å; T456-G459 PolarHBondContact O-N 3.49Å
457	L	87.2	Confident	83.7	Confident	51 Å²	51	41.8 Å²	41.8	27%	0.267	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	137	170.9	-71.9	159.8	0	0	0	109.4	F420 T689	F420-L457 HydrophobicContact CD2-CD2 3.59Å; F420-L457 HydrophobicContact CD2-CG 3.65Å; F420-L457 HydrophobicContact CE2-CD2 3.98Å; F420-L457 HydrophobicContact CE2-CG 4.07Å; L457-T689 WeakPolarHBondContact CD1-O 3.43Å
458	P	86.7	Confident	83.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71.1	-22.3	12.3	-24.3	36.1	0	0	0	117.8	I462 V463 P475 V688	P458-I462 HydrophobicContact CB-CB 3.85Å; P458-I462 HydrophobicContact CB-CD1 4.28Å; P458-I462 HydrophobicContact CB-CG2 3.89Å; P458-I462 VanDerWaalsContact O-CD1 3.31Å; P458-I462 WeakPolarHBondContact O-CD1 3.32Å; P458-V463 HydrophobicContact CB-CG2 4.2Å; P458-V463 HydrophobicContact CG-CG2 4.19Å; P458-P475 HydrophobicContact CG-CG 4.23Å; P458-V688 HydrophobicContact CB-CG1 3.46Å; P458-V688 VanDerWaalsContact CB-CG1 3.46Å; P458-V688 HydrophobicContact CG-CG1 3.65Å
459	G	89.4	Confident	82.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	92.5	156	-169.3	0	0	0	0	0	113.8	Y425 I453 T456 L461 I462 V463	Y425-G459 WeakPolarHBondContact OH-CA 3.4Å; I453-G459 CarbonylContact O-C 3.48Å; I453-G459 VanDerWaalsContact O-C 3.28Å; I453-G459 WeakPolarHBondContact O-CA 3.42Å; T456-G459 WeakPolarHBondContact O-CA 3.46Å; T456-G459 PolarHBondContact O-N 3.49Å; G459-L461 VanDerWaalsContact C-N 3.29Å; G459-L461 PolarHBondContact O-N 2.86Å; G459-I462 PolarHBondContact O-N 3.4Å; G459-V463 PolarHBondContact O-N 3.2Å
460	G	89.3	Confident	81.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.4	-173.1	0	0	0	0	0	114.3	Y425 R449 I453	Y425-G460 PolarHBondContact OH-N 3Å; R449-G460 PolarHBondContact NH1-O 2.91Å; I453-G460 PolarHBondContact O-N 3.27Å; I453-G460 VanDerWaalsContact O-N 3.17Å
461	L	88	Confident	81.1	Confident	35 Å²	35	30.1 Å²	30.1	18%	0.183	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.1	177.9	-68.3	-172.1	0	0	0	113.6	T424 Y425 L434 E438 G459 P740	T424-L461 VanDerWaalsContact O-CD1 3.29Å; T424-L461 WeakPolarHBondContact O-CD1 2.97Å; Y425-L461 HydrophobicContact CD1-CD1 4.19Å; Y425-L461 HydrophobicContact CD1-CG 4Å; Y425-L461 HydrophobicContact CE1-CG 4.06Å; L434-L461 HydrophobicContact CB-CD2 4.07Å; E438-L461 HydrophobicContact CB-CD2 4.23Å; E438-L461 HydrophobicContact CG-CD2 4.01Å; G459-L461 VanDerWaalsContact C-N 3.29Å; G459-L461 PolarHBondContact O-N 2.86Å; L461-P740 HydrophobicContact CD1-CB 4.12Å; L461-P740 HydrophobicContact CD1-CG 3.76Å
462	I	84.3	Confident	80.9	Confident	16 Å²	16	25.2 Å²	25.2	8%	0.082	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-38.3	-178.8	-60.7	-174.5	0	0	0	110.4	P458 G459 S464 L657 L661 V688	P458-I462 HydrophobicContact CB-CB 3.85Å; P458-I462 HydrophobicContact CB-CD1 4.28Å; P458-I462 HydrophobicContact CB-CG2 3.89Å; P458-I462 VanDerWaalsContact O-CD1 3.31Å; P458-I462 WeakPolarHBondContact O-CD1 3.32Å; G459-I462 PolarHBondContact O-N 3.4Å; I462-S464 PolarHBondContact O-N 3.22Å; I462-L657 HydrophobicContact CG2-CD1 4.28Å; I462-L657 HydrophobicContact CG2-CD2 3.72Å; I462-L661 HydrophobicContact CG2-CD2 4.09Å; I462-V688 HydrophobicContact CD1-CG1 4.19Å; I462-V688 HydrophobicContact CD1-CG2 4.43Å; I462-V688 HydrophobicContact CG2-CG1 4.13Å; I462-V688 HydrophobicContact CG2-CG2 4.33Å
463	V	82.7	Confident	80.8	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	14%	0.14	C	C	.	.	S	Bend	trans	-73.8	112.9	-180	178.4	0	0	0	0	110.2	I453 P458 G459 M469 V474 Y653	I453-V463 HydrophobicContact CD1-CG1 4.26Å; I453-V463 HydrophobicContact CG2-CB 3.88Å; I453-V463 HydrophobicContact CG2-CG1 4.19Å; I453-V463 HydrophobicContact CG2-CG2 3.96Å; P458-V463 HydrophobicContact CB-CG2 4.2Å; P458-V463 HydrophobicContact CG-CG2 4.19Å; G459-V463 PolarHBondContact O-N 3.2Å; V463-M469 HydrophobicContact CG1-CE 3.84Å; V463-V474 HydrophobicContact CG1-CG1 3.68Å; V463-V474 HydrophobicContact CG2-CG1 4.18Å; V463-Y653 WeakPolarHBondContact CA-OH 3.1Å; V463-Y653 WeakPolarHBondContact CG1-OH 3.43Å
464	S	73	Confident	80.7	Confident	35 Å²	35	24.7 Å²	24.7	25%	0.245	14%	0.14	C	C	.	.			trans	-76.1	130.9	-177.1	172	0	0	0	0	113.2	I462 V466 N467 M469 Y653	I462-S464 PolarHBondContact O-N 3.22Å; S464-V466 PolarHBondContact O-N 3.47Å; S464-V466 VanDerWaalsContact O-N 3.13Å; S464-V466 PolarHBondContact OG-N 2.95Å; S464-N467 PolarHBondContact O-N 3.38Å; S464-M469 WeakPolarHBondContact O-CE 3.38Å; S464-Y653 PolarHBondContact N-OH 3.39Å; S464-Y653 VanDerWaalsContact N-OH 3.12Å
465	H	65	Low	80.7	Confident	12 Å²	12	24.5 Å²	24.5	6%	0.056	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.4	172	-102.5	-85.3	0	0	0	115.8	E438 D442 R447 R449 M469	E438-H465 IonicContact OE2-CD2 3.18Å; E438-H465 PolarHBondContact OE2-CD2 2.78Å; E438-H465 IonicContact OE2-NE2 3.59Å; D442-H465 IonicContact OD1-CD2 2.75Å; D442-H465 IonicContact OD1-CE1 3.42Å; D442-H465 PolarHBondContact OD1-CE1 3.37Å; D442-H465 IonicContact OD1-NE2 3.26Å; D442-H465 PolarHBondContact OD1-NE2 3.24Å; R447-H465 PolarHBondContact O-CE1 2.84Å; R447-H465 PolarHBondContact O-ND1 3.2Å; R449-H465 PolarHBondContact NH2-NE2 3.19Å; H465-M469 HydrophobicContact CB-CE 4.46Å; H465-M469 HydrophobicContact CB-SD 4.36Å
466	V	64	Low	80.4	Confident	101 Å²	101	24.6 Å²	24.6	61%	0.612	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.2	-167.9	-176.4	0	0	0	0	111.8	S464	S464-V466 PolarHBondContact O-N 3.47Å; S464-V466 VanDerWaalsContact O-N 3.13Å; S464-V466 PolarHBondContact OG-N 2.95Å
467	N	60.3	Low	80.1	Confident	66 Å²	66	29 Å²	29	35%	0.353	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-62.1	-163.2	-67.5	71.5	0	0	0	113	S464 H656	S464-N467 PolarHBondContact O-N 3.38Å; N467-H656 PolarHBondContact ND2-CE1 2.75Å; N467-H656 PolarHBondContact ND2-ND1 3.38Å
468	S	64.5	Low	79.9	Confident	19 Å²	19	36.6 Å²	36.6	13%	0.133	18%	0.183	C	C	.	.			trans	-152.2	139.1	170.8	-172.3	0	0	0	0	111.3	D470 D473	S468-D470 PolarHBondContact OG-N 3.29Å; S468-D473 WeakPolarHBondContact CB-OD2 2.93Å; S468-D473 WeakPolarHBondContact OG-CB 3.48Å; S468-D473 VanDerWaalsContact OG-CG 3.25Å; S468-D473 PolarHBondContact OG-OD2 2.05Å
469	M	64.2	Low	80	Confident	18 Å²	18	36.9 Å²	36.9	9%	0.089	18%	0.184	C	C	.	.			trans	-114.2	-4.9	179.4	-64.3	-74.4	91.4	0	0	112.3	R447 R449 I453 V463 S464 H465	R447-M469 HydrophobicContact CB-CB 4.5Å; R447-M469 HydrophobicContact CB-CG 3.94Å; R449-M469 HydrophobicContact CB-SD 4.49Å; R449-M469 HydrophobicContact CG-CE 3.92Å; R449-M469 HydrophobicContact CG-SD 3.44Å; R449-M469 WeakPolarHBondContact CG-SD 3.29Å; I453-M469 VanDerWaalsContact CD1-O 3.28Å; I453-M469 WeakPolarHBondContact CD1-O 3.46Å; V463-M469 HydrophobicContact CG1-CE 3.84Å; S464-M469 WeakPolarHBondContact O-CE 3.38Å; H465-M469 HydrophobicContact CB-CE 4.46Å; H465-M469 HydrophobicContact CB-SD 4.36Å
470	D	75.4	Confident	79.9	Confident	71 Å²	71	38 Å²	38	38%	0.38	19%	0.191	S	C	.	.			trans	-74.6	132.2	174.4	-161.5	-25.3	0	0	0	108.9	S468 C472 D473	S468-D470 PolarHBondContact OG-N 3.29Å; D470-C472 PolarHBondContact O-N 3.38Å; D470-C472 VanDerWaalsContact O-N 3.12Å; D470-C472 PolarHBondContact OD1-N 3.49Å; D470-C472 PolarHBondContact OD1-SG 3.33Å; D470-C472 VanDerWaalsContact OD1-SG 3.33Å; D470-D473 HydrophobicContact CB-CB 4.49Å; D470-D473 PolarHBondContact O-N 2.7Å
471	S	79.6	Confident	79.8	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.021	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-52.8	-26.6	168.4	63.8	0	0	0	0	112.8	D473 V474 I476 Y479	S471-D473 VanDerWaalsContact C-N 3.34Å; S471-V474 WeakPolarHBondContact O-CG2 3.37Å; S471-I476 WeakPolarHBondContact O-CD1 3.37Å; S471-Y479 WeakPolarHBondContact O-CE1 3.48Å
472	C	87.3	Confident	79.9	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.014	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-75.3	-19.7	179.3	-47.5	0	0	0	0	114	D470 Y479 H482 C483 E486 L582	D470-C472 PolarHBondContact O-N 3.38Å; D470-C472 VanDerWaalsContact O-N 3.12Å; D470-C472 PolarHBondContact OD1-N 3.49Å; D470-C472 PolarHBondContact OD1-SG 3.33Å; D470-C472 VanDerWaalsContact OD1-SG 3.33Å; C472-Y479 WeakPolarHBondContact O-CE1 3.48Å; C472-H482 VanDerWaalsContact SG-CD2 3.56Å; C472-C483 WeakPolarHBondContact CA-SG 3.5Å; C472-C483 HydrophobicContact CB-CB 3.53Å; C472-C483 WeakPolarHBondContact CB-SG 3.48Å; C472-C483 WeakPolarHBondContact SG-CA 3.4Å; C472-C483 WeakPolarHBondContact SG-CB 3.25Å; C472-C483 CovalentContact SG-SG 2.03Å; C472-C483 PolarHBondContact SG-SG 3.09Å; C472-E486 WeakPolarHBondContact CB-OE2 3.06Å; C472-L582 VanDerWaalsContact O-CD1 3.25Å; C472-L582 WeakPolarHBondContact O-CD1 3.33Å
473	D	88.4	Confident	80.2	Confident	45 Å²	45	48.7 Å²	48.7	24%	0.241	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-99.2	-2.2	-176.8	-90.5	-36.6	0	0	0	114.2	S468 D470 S471 H651 R652 Y653	S468-D473 WeakPolarHBondContact CB-OD2 2.93Å; S468-D473 WeakPolarHBondContact OG-CB 3.48Å; S468-D473 VanDerWaalsContact OG-CG 3.25Å; S468-D473 PolarHBondContact OG-OD2 2.05Å; D470-D473 HydrophobicContact CB-CB 4.49Å; D470-D473 PolarHBondContact O-N 2.7Å; S471-D473 VanDerWaalsContact C-N 3.34Å; D473-H651 PolarHBondContact O-CE1 3.11Å; D473-R652 IonicContact OD1-NH2 2.82Å; D473-R652 PolarHBondContact OD1-NH2 2.03Å; D473-Y653 WeakPolarHBondContact O-CD2 3.25Å
474	V	89.4	Confident	80.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-115.2	148.1	-175.5	-67.6	0	0	0	0	111.1	I453 V463 S471 I476 Y479 Y653	I453-V474 HydrophobicContact CD1-CG2 4.29Å; I453-V474 HydrophobicContact CG1-CG2 3.97Å; V463-V474 HydrophobicContact CG1-CG1 3.68Å; V463-V474 HydrophobicContact CG2-CG1 4.18Å; S471-V474 WeakPolarHBondContact O-CG2 3.37Å; V474-I476 VanDerWaalsContact C-N 3.32Å; V474-I476 HydrophobicContact CG2-CG2 3.96Å; V474-I476 PolarHBondContact O-N 2.95Å; V474-Y479 VanDerWaalsContact O-CZ 3.23Å; V474-Y479 PolarHBondContact O-OH 3.01Å; V474-Y653 HydrophobicContact CG1-CD2 4.23Å; V474-Y653 HydrophobicContact CG1-CE1 4.43Å; V474-Y653 HydrophobicContact CG1-CE2 3.95Å
475	P	90.9	Very high	81.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.			trans	-77.6	79.5	-173.6	31.4	-33.7	0	0	0	111.4	P458 N610 H651 Y653 Y654	P458-P475 HydrophobicContact CG-CG 4.23Å; P475-N610 HydrophobicContact CB-CB 4.38Å; P475-N610 WeakPolarHBondContact O-CB 3.38Å; P475-H651 HydrophobicContact CB-CB 3.85Å; P475-Y653 HydrophobicContact CG-CD1 4.22Å; P475-Y654 HydrophobicContact CB-CE1 4.38Å; P475-Y654 HydrophobicContact CB-CE2 4.06Å; P475-Y654 HydrophobicContact CG-CE1 3.88Å; P475-Y654 HydrophobicContact CG-CE2 4.39Å
476	I	88.7	Confident	82.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.287	C	S	.	.			trans	-95.4	148.4	175.4	55.8	175.3	0	0	0	111.1	E452 S471 V474 R478 Y479	E452-I476 HydrophobicContact CB-CD1 4.41Å; S471-I476 WeakPolarHBondContact O-CD1 3.37Å; V474-I476 VanDerWaalsContact C-N 3.32Å; V474-I476 HydrophobicContact CG2-CG2 3.96Å; V474-I476 PolarHBondContact O-N 2.95Å; I476-R478 PolarHBondContact O-N 2.83Å; I476-Y479 HydrophobicContact CD1-CD1 3.87Å; I476-Y479 HydrophobicContact CD1-CD2 4.42Å; I476-Y479 HydrophobicContact CD1-CE1 4.27Å; I476-Y479 HydrophobicContact CD1-CG 4Å; I476-Y479 HydrophobicContact CG1-CD1 3.8Å; I476-Y479 HydrophobicContact CG1-CD2 3.73Å; I476-Y479 HydrophobicContact CG1-CE1 3.83Å; I476-Y479 HydrophobicContact CG1-CE2 3.75Å; I476-Y479 HydrophobicContact CG1-CG 3.79Å; I476-Y479 WeakPolarHBondContact O-CD2 3.23Å; I476-Y479 WeakPolarHBondContact O-CE2 3.48Å
477	Q	84.2	Confident	83.9	Confident	130 Å²	130	55.3 Å²	55.3	61%	0.607	26%	0.259	S	S	*	.	S	Bend	trans	-63.4	-43.2	-177.4	-177	-177.4	-2.4	0	0	112.6
478	R	83.6	Confident	85.4	Confident	212 Å²	212	58.2 Å²	58.2	80%	0.8	27%	0.269	S	S	*	.	S	Bend	trans	-128.8	106.2	-178.2	-168	179	-163.7	167.8	5.8	109.7	I476	I476-R478 PolarHBondContact O-N 2.83Å
479	Y	87.5	Confident	86.8	Confident	6 Å²	6	59.1 Å²	59.1	2%	0.024	28%	0.275	C	S	.	.			trans	-73.1	142.2	179.2	-79.4	-101.6	0	0	0	112.2	S471 C472 V474 I476 C483 Q484 I487 P609 H651	S471-Y479 WeakPolarHBondContact O-CE1 3.48Å; C472-Y479 WeakPolarHBondContact O-CE1 3.48Å; V474-Y479 VanDerWaalsContact O-CZ 3.23Å; V474-Y479 PolarHBondContact O-OH 3.01Å; I476-Y479 HydrophobicContact CD1-CD1 3.87Å; I476-Y479 HydrophobicContact CD1-CD2 4.42Å; I476-Y479 HydrophobicContact CD1-CE1 4.27Å; I476-Y479 HydrophobicContact CD1-CG 4Å; I476-Y479 HydrophobicContact CG1-CD1 3.8Å; I476-Y479 HydrophobicContact CG1-CD2 3.73Å; I476-Y479 HydrophobicContact CG1-CE1 3.83Å; I476-Y479 HydrophobicContact CG1-CE2 3.75Å; I476-Y479 HydrophobicContact CG1-CG 3.79Å; I476-Y479 WeakPolarHBondContact O-CD2 3.23Å; I476-Y479 WeakPolarHBondContact O-CE2 3.48Å; Y479-C483 HydrophobicContact CD1-CB 3.64Å; Y479-C483 HydrophobicContact CG-CB 4.31Å; Y479-Q484 PolarHBondContact O-NE2 2.83Å; Y479-I487 HydrophobicContact CD1-CD1 3.84Å; Y479-I487 HydrophobicContact CD1-CG1 4.36Å; Y479-I487 HydrophobicContact CD2-CD1 3.21Å; Y479-I487 HydrophobicContact CD2-CG1 4.18Å; Y479-I487 HydrophobicContact CE1-CD1 4.25Å; Y479-I487 HydrophobicContact CE1-CG1 4.39Å; Y479-I487 HydrophobicContact CE2-CD1 3.71Å; Y479-I487 HydrophobicContact CE2-CG1 4.22Å; Y479-I487 HydrophobicContact CG-CD1 3.25Å; Y479-I487 HydrophobicContact CG-CG1 4.21Å; Y479-P609 HydrophobicContact CD2-CG 3.74Å; Y479-P609 HydrophobicContact CE2-CB 3.76Å; Y479-P609 HydrophobicContact CE2-CG 3.39Å; Y479-H651 PolarHBondContact OH-CD2 3.49Å; Y479-H651 VanDerWaalsContact OH-CD2 3.24Å; Y479-H651 PolarHBondContact OH-NE2 2.94Å
480	P	87.8	Confident	88.4	Confident	23 Å²	23	58.3 Å²	58.3	15%	0.149	27%	0.271	C	S	.	.			trans	-52	152.5	165.6	-26.7	35.4	0	0	0	112	E452 H482 C483	E452-P480 HydrophobicContact CG-CG 3.96Å; P480-H482 WeakPolarHBondContact CB-CE1 3.25Å; P480-H482 WeakPolarHBondContact CB-ND1 3.31Å; P480-H482 PolarHBondContact O-N 2.67Å; P480-H482 VanDerWaalsContact O-N 3.17Å; P480-C483 PolarHBondContact O-N 2.93Å
481	M	88	Confident	89.4	Confident	146 Å²	146	54.9 Å²	54.9	72%	0.719	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-57.7	-33.4	-177.8	-72	-66.9	123.5	0	0	113.3	C483 Q484	M481-C483 VanDerWaalsContact C-N 3.3Å; M481-C483 PolarHBondContact O-N 3.35Å; M481-Q484 WeakPolarHBondContact O-CB 3.49Å; M481-Q484 WeakPolarHBondContact O-CG 3.5Å; M481-Q484 PolarHBondContact O-N 3.03Å; M481-Q484 HydrophobicContact SD-CG 4.45Å
482	H	90.2	Very high	90.3	Very high	130 Å²	130	54.8 Å²	54.8	60%	0.602	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69.1	-26.8	179.2	62.8	-92.1	0	0	0	113.2	C472 P480 Q484	C472-H482 VanDerWaalsContact SG-CD2 3.56Å; P480-H482 WeakPolarHBondContact CB-CE1 3.25Å; P480-H482 WeakPolarHBondContact CB-ND1 3.31Å; P480-H482 PolarHBondContact O-N 2.67Å; P480-H482 VanDerWaalsContact O-N 3.17Å; H482-Q484 VanDerWaalsContact C-N 3.34Å
483	C	89.9	Confident	90.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-82.1	-9.3	177.7	-54.7	0	0	0	0	113.8	C472 Y479 P480 M481 F485 E486	C472-C483 WeakPolarHBondContact CA-SG 3.5Å; C472-C483 HydrophobicContact CB-CB 3.53Å; C472-C483 WeakPolarHBondContact CB-SG 3.48Å; C472-C483 WeakPolarHBondContact SG-CA 3.4Å; C472-C483 WeakPolarHBondContact SG-CB 3.25Å; C472-C483 CovalentContact SG-SG 2.03Å; C472-C483 PolarHBondContact SG-SG 3.09Å; Y479-C483 HydrophobicContact CD1-CB 3.64Å; Y479-C483 HydrophobicContact CG-CB 4.31Å; P480-C483 PolarHBondContact O-N 2.93Å; M481-C483 VanDerWaalsContact C-N 3.3Å; M481-C483 PolarHBondContact O-N 3.35Å; C483-F485 PolarHBondContact O-N 3.3Å; C483-E486 PolarHBondContact O-N 3.27Å
484	Q	88.4	Confident	91.2	Very high	54 Å²	54	52.6 Å²	52.6	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-29.8	-173	-72.1	-68.5	-32.9	0	0	113.2	Y479 M481 H482 E486 K488	Y479-Q484 PolarHBondContact O-NE2 2.83Å; M481-Q484 WeakPolarHBondContact O-CB 3.49Å; M481-Q484 WeakPolarHBondContact O-CG 3.5Å; M481-Q484 PolarHBondContact O-N 3.03Å; M481-Q484 HydrophobicContact SD-CG 4.45Å; H482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-E486 VanDerWaalsContact C-N 3.32Å; Q484-K488 WeakPolarHBondContact O-CB 3.01Å; Q484-K488 VanDerWaalsContact O-CG 3.31Å; Q484-K488 WeakPolarHBondContact O-CG 3.36Å; Q484-K488 PolarHBondContact O-N 3.17Å
485	F	91.9	Very high	91.4	Very high	166 Å²	166	52.6 Å²	52.6	73%	0.728	24%	0.24	S	C	*	.	H	α-helix	trans	-63.6	-38.3	175.9	175.1	-98.8	0	0	0	112.1	C483 K488 S489	C483-F485 PolarHBondContact O-N 3.3Å; F485-K488 CarbonylContact O-C 3.58Å; F485-K488 PolarHBondContact O-N 3.3Å; F485-S489 PolarHBondContact O-N 2.92Å
486	E	90.2	Very high	91.5	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-71.2	-40.2	-176	-61.7	-177	-179.1	0	0	112.2	C472 C483 Q484 K488 S489 L582	C472-E486 WeakPolarHBondContact CB-OE2 3.06Å; C483-E486 PolarHBondContact O-N 3.27Å; Q484-E486 VanDerWaalsContact C-N 3.32Å; E486-K488 PolarHBondContact O-N 2.86Å; E486-S489 VanDerWaalsContact O-CB 3.24Å; E486-S489 WeakPolarHBondContact O-CB 3.48Å; E486-S489 PolarHBondContact O-N 2.66Å; E486-S489 PolarHBondContact O-OG 3.49Å; E486-L582 HydrophobicContact CB-CD1 3.76Å; E486-L582 HydrophobicContact CB-CG 4.46Å
487	I	90.8	Very high	91.8	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-32	172.9	-61	166.2	0	0	0	111.1	Y479 S489 L582 Y602 W605 Q606	Y479-I487 HydrophobicContact CD1-CD1 3.84Å; Y479-I487 HydrophobicContact CD1-CG1 4.36Å; Y479-I487 HydrophobicContact CD2-CD1 3.21Å; Y479-I487 HydrophobicContact CD2-CG1 4.18Å; Y479-I487 HydrophobicContact CE1-CD1 4.25Å; Y479-I487 HydrophobicContact CE1-CG1 4.39Å; Y479-I487 HydrophobicContact CE2-CD1 3.71Å; Y479-I487 HydrophobicContact CE2-CG1 4.22Å; Y479-I487 HydrophobicContact CG-CD1 3.25Å; Y479-I487 HydrophobicContact CG-CG1 4.21Å; I487-S489 VanDerWaalsContact C-N 3.34Å; I487-L582 HydrophobicContact CG1-CD1 4.18Å; I487-Y602 PolarHBondContact O-OH 2.85Å; I487-W605 HydrophobicContact CG2-CZ3 4.15Å; I487-Q606 HydrophobicContact CG2-CB 4.05Å; I487-Q606 HydrophobicContact CG2-CG 4Å; I487-Q606 PolarHBondContact O-NE2 2.69Å
488	K	92.5	Very high	91.9	Very high	127 Å²	127	50.3 Å²	50.3	55%	0.552	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0	179.6	-66.1	-179.4	-177.3	-172.7	0	113.9	Q484 F485 E486 G490	Q484-K488 WeakPolarHBondContact O-CB 3.01Å; Q484-K488 VanDerWaalsContact O-CG 3.31Å; Q484-K488 WeakPolarHBondContact O-CG 3.36Å; Q484-K488 PolarHBondContact O-N 3.17Å; F485-K488 CarbonylContact O-C 3.58Å; F485-K488 PolarHBondContact O-N 3.3Å; E486-K488 PolarHBondContact O-N 2.86Å; K488-G490 PolarHBondContact O-N 3.3Å; K488-G490 VanDerWaalsContact O-N 3.17Å
489	S	94.7	Very high	92	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	22%	0.219	S	C	.	.	S	Bend	trans	-68.2	-14	-175.6	67.7	0	0	0	0	114.5	F485 E486 I487 R523	F485-S489 PolarHBondContact O-N 2.92Å; E486-S489 VanDerWaalsContact O-CB 3.24Å; E486-S489 WeakPolarHBondContact O-CB 3.48Å; E486-S489 PolarHBondContact O-N 2.66Å; E486-S489 PolarHBondContact O-OG 3.49Å; I487-S489 VanDerWaalsContact C-N 3.34Å; S489-R523 WeakPolarHBondContact O-CG 3.39Å; S489-R523 PolarHBondContact O-NE 3.16Å
490	G	96.8	Very high	91.8	Very high	1 Å²	1	50 Å²	50	1%	0.01	25%	0.248	C	C	.	.			trans	112.7	-167.4	-177.8	0	0	0	0	0	111.7	K488 F521 T581 Y602	K488-G490 PolarHBondContact O-N 3.3Å; K488-G490 VanDerWaalsContact O-N 3.17Å; G490-F521 CarbonylContact C-O 3.59Å; G490-F521 WeakPolarHBondContact CA-O 3.25Å; G490-T581 WeakPolarHBondContact O-CB 3.39Å; G490-Y602 WeakPolarHBondContact CA-OH 3.43Å; G490-Y602 PolarHBondContact N-OH 3.29Å; G490-Y602 PolarHBondContact O-OH 3.23Å
491	F	97.7	Very high	91.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.5	180	67.3	-96.7	0	0	0	113.2	M493 F521 L522 R523 T581 A583 F585 L598 Y602 F649	F491-M493 HydrophobicContact CE2-CB 4.49Å; F491-M493 HydrophobicContact CE2-CE 4.25Å; F491-F521 HydrophobicContact CD1-CB 3.77Å; F491-F521 HydrophobicContact CE1-CB 3.68Å; F491-F521 PolarHBondContact N-O 3.3Å; F491-L522 HydrophobicContact CD2-CD1 4Å; F491-L522 HydrophobicContact CE2-CB 4.23Å; F491-L522 HydrophobicContact CE2-CD1 3.54Å; F491-L522 HydrophobicContact CE2-CG 4.46Å; F491-L522 HydrophobicContact CZ-CB 4.02Å; F491-L522 HydrophobicContact CZ-CD1 4.2Å; F491-R523 PolarHBondContact O-N 3.12Å; F491-T581 WeakPolarHBondContact CA-OG1 3.39Å; F491-A583 WeakPolarHBondContact CA-O 3.37Å; F491-A583 HydrophobicContact CB-CB 3.66Å; F491-F585 HydrophobicContact CD2-CB 3.83Å; F491-F585 HydrophobicContact CE2-CB 4.14Å; F491-F585 HydrophobicContact CE2-CD1 4.49Å; F491-L598 HydrophobicContact CE2-CD1 4.4Å; F491-L598 HydrophobicContact CZ-CD1 4.01Å; F491-L598 HydrophobicContact CZ-CD2 3.89Å; F491-L598 HydrophobicContact CZ-CG 3.92Å; F491-Y602 HydrophobicContact CB-CD2 4.13Å; F491-Y602 HydrophobicContact CB-CE2 4.08Å; F491-Y602 HydrophobicContact CD1-CD1 4.38Å; F491-Y602 AromaticContact CD1-CD2 3.72Å; F491-Y602 HydrophobicContact CD1-CD2 3.72Å; F491-Y602 HydrophobicContact CD1-CE2 4.13Å; F491-Y602 AromaticContact CD1-CG 3.85Å; F491-Y602 HydrophobicContact CD1-CG 3.85Å; F491-Y602 HydrophobicContact CE1-CG 4.35Å; F491-Y602 HydrophobicContact CG-CD2 4.34Å; F491-F649 HydrophobicContact CB-CD1 4.49Å; F491-F649 HydrophobicContact CB-CE1 3.78Å; F491-F649 AromaticContact CD1-CE1 3.76Å; F491-F649 HydrophobicContact CD1-CE1 3.76Å; F491-F649 HydrophobicContact CD1-CZ 4.02Å; F491-F649 AromaticContact CD2-CE1 3.91Å; F491-F649 HydrophobicContact CD2-CE1 3.91Å; F491-F649 HydrophobicContact CD2-CZ 4.33Å; F491-F649 HydrophobicContact CE1-CE1 4.28Å; F491-F649 HydrophobicContact CE1-CZ 4.08Å; F491-F649 HydrophobicContact CE2-CE1 4.42Å; F491-F649 HydrophobicContact CE2-CZ 4.39Å; F491-F649 AromaticContact CG-CE1 3.57Å; F491-F649 HydrophobicContact CG-CE1 3.57Å; F491-F649 HydrophobicContact CG-CZ 4.16Å; F491-F649 HydrophobicContact CZ-CZ 4.29Å
492	T	97.8	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.3	172.6	-60.7	0	0	0	0	107.8	K524 I526 I579 P580 T581 A583 V584 F585	T492-K524 CarbonylContact C-O 3.46Å; T492-K524 WeakPolarHBondContact CA-O 3.18Å; T492-K524 HydrophobicContact CG2-CB 4.12Å; T492-I526 HydrophobicContact CG2-CD1 3.82Å; T492-I526 HydrophobicContact CG2-CG1 3.96Å; T492-I579 HydrophobicContact CG2-CG1 4.35Å; T492-I579 HydrophobicContact CG2-CG2 4.3Å; T492-P580 WeakPolarHBondContact OG1-CD 3.2Å; T492-T581 WeakPolarHBondContact CB-OG1 3.1Å; T492-T581 PolarHBondContact N-OG1 2.84Å; T492-T581 PolarHBondContact OG1-OG1 3.31Å; T492-A583 PolarHBondContact N-O 3.33Å; T492-V584 WeakPolarHBondContact O-CA 3.38Å; T492-F585 PolarHBondContact O-N 3.32Å
493	M	96.8	Very high	91.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.8	176.3	-174.9	176.1	-66.9	0	0	109.3	F491 I495 F517 L522 K524 I525 I526 F585 Y587 L598	F491-M493 HydrophobicContact CE2-CB 4.49Å; F491-M493 HydrophobicContact CE2-CE 4.25Å; M493-I495 HydrophobicContact CG-CD1 4.12Å; M493-I495 HydrophobicContact CG-CG1 3.88Å; M493-I495 HydrophobicContact SD-CD1 3.87Å; M493-I495 HydrophobicContact SD-CG1 4.26Å; M493-F517 HydrophobicContact CE-CD1 4.44Å; M493-F517 HydrophobicContact CE-CE1 4.42Å; M493-F517 HydrophobicContact SD-CD1 4.27Å; M493-F517 HydrophobicContact SD-CE1 3.73Å; M493-L522 HydrophobicContact CB-CD1 3.78Å; M493-L522 HydrophobicContact CE-CD1 4.45Å; M493-K524 PolarHBondContact N-O 3.35Å; M493-I525 HydrophobicContact CB-CG1 4.29Å; M493-I525 CarbonylContact O-C 3.59Å; M493-I525 WeakPolarHBondContact O-CA 3.49Å; M493-I526 PolarHBondContact O-N 2.89Å; M493-F585 HydrophobicContact CE-CD1 3.87Å; M493-F585 HydrophobicContact CE-CE1 4.16Å; M493-F585 HydrophobicContact CG-CD1 4.08Å; M493-Y587 HydrophobicContact SD-CD1 4.31Å; M493-Y587 HydrophobicContact SD-CG 4.46Å; M493-L598 HydrophobicContact CE-CD2 4.07Å
494	L	96.7	Very high	91.9	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.8	-179.5	-171.6	71.4	0	0	0	109.3	I526 V528 R572 F576 V584 F585 Y587	L494-I526 HydrophobicContact CD1-CB 3.81Å; L494-I526 HydrophobicContact CD1-CG2 3.68Å; L494-V528 HydrophobicContact CD1-CG2 3.44Å; L494-V528 VanDerWaalsContact CD1-CG2 3.44Å; L494-V528 HydrophobicContact CG-CG2 4.02Å; L494-R572 VanDerWaalsContact CD2-O 3.31Å; L494-R572 WeakPolarHBondContact CD2-O 3.48Å; L494-F576 HydrophobicContact CD1-CD2 4.32Å; L494-F576 HydrophobicContact CD1-CE2 4.25Å; L494-F576 HydrophobicContact CD2-CE2 4.39Å; L494-V584 HydrophobicContact CB-CG1 3.9Å; L494-V584 HydrophobicContact CD2-CG1 4.26Å; L494-F585 PolarHBondContact N-O 2.74Å; L494-Y587 PolarHBondContact O-N 2.77Å
495	I	94.8	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106.9	-173.8	-49.7	-179.9	0	0	0	109.2	M493 I497 L509 I525 I526 L527 V528 Y587 L589	M493-I495 HydrophobicContact CG-CD1 4.12Å; M493-I495 HydrophobicContact CG-CG1 3.88Å; M493-I495 HydrophobicContact SD-CD1 3.87Å; M493-I495 HydrophobicContact SD-CG1 4.26Å; I495-I497 HydrophobicContact CG2-CD1 3.88Å; I495-L509 HydrophobicContact CD1-CD2 4.18Å; I495-I525 HydrophobicContact CD1-CG2 3.92Å; I495-I525 HydrophobicContact CG1-CG2 4.43Å; I495-I526 PolarHBondContact N-O 3.33Å; I495-L527 HydrophobicContact CB-CD2 3.85Å; I495-L527 HydrophobicContact CD1-CD2 3.97Å; I495-L527 HydrophobicContact CG1-CD2 4.28Å; I495-L527 HydrophobicContact CG2-CD2 4.41Å; I495-L527 WeakPolarHBondContact O-CA 3.41Å; I495-V528 PolarHBondContact O-N 3.14Å; I495-Y587 HydrophobicContact CD1-CD1 4.36Å; I495-Y587 HydrophobicContact CG1-CD1 4.4Å; I495-L589 HydrophobicContact CD1-CD2 4.25Å; I495-L589 HydrophobicContact CG2-CD1 4.3Å; I495-L589 HydrophobicContact CG2-CD2 3.82Å; I495-L589 HydrophobicContact CG2-CG 3.72Å
496	P	93.6	Very high	91.9	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.078	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.1	171.7	30.1	-31.9	0	0	0	110.8	R498 E530 R572 Y587	P496-R498 PolarHBondContact O-N 2.61Å; P496-E530 WeakPolarHBondContact CB-OE1 3.31Å; P496-R572 HydrophobicContact CB-CB 4.41Å; P496-Y587 WeakPolarHBondContact CD-O 3.4Å
497	I	93.1	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	87	174.6	-49.4	-56.6	0	0	0	108.3	I495 L501 Y505 L527 V528 W529 E530 C531 L589	I495-I497 HydrophobicContact CG2-CD1 3.88Å; I497-L501 HydrophobicContact CG2-CB 4.28Å; I497-Y505 HydrophobicContact CG2-CD1 4.5Å; I497-Y505 HydrophobicContact CG2-CG 4.22Å; I497-L527 HydrophobicContact CD1-CD2 4.5Å; I497-L527 HydrophobicContact CG1-CB 4.39Å; I497-V528 PolarHBondContact N-O 2.91Å; I497-W529 HydrophobicContact CB-CE3 4.23Å; I497-W529 HydrophobicContact CG1-CE3 4.41Å; I497-W529 HydrophobicContact CG2-CE3 4.29Å; I497-W529 HydrophobicContact CG2-CZ3 4.09Å; I497-E530 CarbonylContact O-C 3.47Å; I497-E530 WeakPolarHBondContact O-CA 3.37Å; I497-E530 WeakPolarHBondContact O-CB 3.31Å; I497-E530 PolarHBondContact O-N 2.8Å; I497-E530 VanDerWaalsContact O-N 3.13Å; I497-C531 PolarHBondContact O-SG 2.84Å; I497-L589 HydrophobicContact CD1-CD1 3.75Å
498	R	87.5	Confident	91.8	Very high	70 Å²	70	46.3 Å²	46.3	26%	0.264	24%	0.242	S	C	.	.			trans	-75.8	167.4	177.9	-65.5	-169.1	172.4	172.5	3.6	112.3	P496 E500 L501 C502 E530 E677	P496-R498 PolarHBondContact O-N 2.61Å; R498-E500 WeakPolarHBondContact CB-OE2 3.2Å; R498-E500 PolarHBondContact O-N 3.29Å; R498-L501 WeakPolarHBondContact O-CA 3.31Å; R498-L501 PolarHBondContact O-N 2.62Å; R498-C502 PolarHBondContact O-N 3.32Å; R498-C502 VanDerWaalsContact O-N 3.11Å; R498-C502 PolarHBondContact O-SG 2.93Å; R498-E530 WeakPolarHBondContact CG-OE2 3.41Å; R498-E530 IonicContact NE-OE2 3.2Å; R498-E677 IonicContact CZ-OE1 3.54Å; R498-E677 IonicContact NH1-OE1 3.13Å; R498-E677 IonicContact NH2-OE1 3.87Å; R498-E677 PolarHBondContact NH2-OE1 3Å
499	A	85.4	Confident	91.7	Very high	74 Å²	74	40.5 Å²	40.5	61%	0.612	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-40.8	179.9	0	0	0	0	0	113.5	L501 C502	A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.4Å; A499-C502 WeakPolarHBondContact CA-SG 3.31Å
500	E	84.2	Confident	91.3	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.2	-178.4	-49.8	76.2	-161.3	0	0	112.9	R498	R498-E500 WeakPolarHBondContact CB-OE2 3.2Å; R498-E500 PolarHBondContact O-N 3.29Å
501	L	88.7	Confident	90.8	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-13.5	-179.3	-64.1	175.8	0	0	0	112.7	I497 R498 A499 S503 I504 Y505 L589	I497-L501 HydrophobicContact CG2-CB 4.28Å; R498-L501 WeakPolarHBondContact O-CA 3.31Å; R498-L501 PolarHBondContact O-N 2.62Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.4Å; L501-S503 PolarHBondContact O-N 2.81Å; L501-S503 VanDerWaalsContact O-N 3.11Å; L501-I504 HydrophobicContact CD2-CD1 3.99Å; L501-I504 HydrophobicContact CD2-CG1 4.16Å; L501-I504 PolarHBondContact O-N 3.4Å; L501-Y505 WeakPolarHBondContact O-CB 3.46Å; L501-Y505 PolarHBondContact O-N 3.35Å; L501-L589 HydrophobicContact CD1-CB 4.14Å; L501-L589 HydrophobicContact CD1-CD1 4.3Å; L501-L589 HydrophobicContact CD1-CG 4.39Å; L501-L589 HydrophobicContact CD2-CB 4.25Å
502	C	90.5	Very high	90.2	Very high	25 Å²	25	49.7 Å²	49.7	17%	0.169	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-175.3	-61.2	0	0	0	0	114.3	R498 A499 Y505 C531	R498-C502 PolarHBondContact O-N 3.32Å; R498-C502 VanDerWaalsContact O-N 3.11Å; R498-C502 PolarHBondContact O-SG 2.93Å; A499-C502 WeakPolarHBondContact CA-SG 3.31Å; C502-Y505 VanDerWaalsContact O-CD1 3.26Å; C502-Y505 WeakPolarHBondContact O-CD1 3.42Å; C502-Y505 WeakPolarHBondContact O-CE1 3.07Å; C502-C531 VanDerWaalsContact CA-SG 3.54Å; C502-C531 HydrophobicContact CB-CB 3.92Å; C502-C531 WeakPolarHBondContact CB-SG 3.13Å; C502-C531 VanDerWaalsContact SG-CA 3.52Å; C502-C531 WeakPolarHBondContact SG-CB 3.31Å; C502-C531 CovalentContact SG-SG 2.02Å; C502-C531 PolarHBondContact SG-SG 3.03Å
503	S	88.6	Confident	89.4	Confident	108 Å²	108	50 Å²	50	76%	0.755	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-24.6	178.5	53.8	0	0	0	0	113.8	L501	L501-S503 PolarHBondContact O-N 2.81Å; L501-S503 VanDerWaalsContact O-N 3.11Å
504	I	90	Very high	88.5	Confident	56 Å²	56	52.8 Å²	52.8	29%	0.287	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-3.1	-170.3	61.6	167.9	0	0	0	114.3	L501 L506 E507 R508	L501-I504 HydrophobicContact CD2-CD1 3.99Å; L501-I504 HydrophobicContact CD2-CG1 4.16Å; L501-I504 PolarHBondContact O-N 3.4Å; I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.1Å; I504-E507 PolarHBondContact O-N 3.5Å; I504-R508 HydrophobicContact CD1-CG 4.47Å; I504-R508 PolarHBondContact O-N 3Å; I504-R508 VanDerWaalsContact O-N 3.14Å
505	Y	90.9	Very high	87.9	Confident	20 Å²	20	56.9 Å²	56.9	8%	0.078	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-39.6	-172.6	75.5	-77	0	0	0	113.2	I497 L501 C502 E507 R508 L509 W529 P536	I497-Y505 HydrophobicContact CG2-CD1 4.5Å; I497-Y505 HydrophobicContact CG2-CG 4.22Å; L501-Y505 WeakPolarHBondContact O-CB 3.46Å; L501-Y505 PolarHBondContact O-N 3.35Å; C502-Y505 VanDerWaalsContact O-CD1 3.26Å; C502-Y505 WeakPolarHBondContact O-CD1 3.42Å; C502-Y505 WeakPolarHBondContact O-CE1 3.07Å; Y505-E507 PolarHBondContact O-N 2.94Å; Y505-R508 PolarHBondContact O-N 3.24Å; Y505-L509 HydrophobicContact CD2-CD1 3.85Å; Y505-L509 HydrophobicContact CE2-CD1 4.49Å; Y505-L509 WeakPolarHBondContact O-CB 3.38Å; Y505-L509 VanDerWaalsContact O-CG 3.25Å; Y505-L509 WeakPolarHBondContact O-CG 3.32Å; Y505-L509 PolarHBondContact O-N 2.9Å; Y505-W529 HydrophobicContact CE1-CH2 4.05Å; Y505-W529 HydrophobicContact CE1-CZ3 4.19Å; Y505-W529 HydrophobicContact CE2-CZ3 4.23Å; Y505-P536 HydrophobicContact CE2-CG 4.32Å; Y505-P536 VanDerWaalsContact OH-CG 3.32Å; Y505-P536 WeakPolarHBondContact OH-CG 3.24Å
506	L	89.5	Confident	87.5	Confident	58 Å²	58	56.9 Å²	56.9	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-44.3	179.6	-72.7	172.7	0	0	0	112.1	I504 R508 L509 K510 V541 Y544	I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.1Å; L506-R508 VanDerWaalsContact C-N 3.35Å; L506-L509 PolarHBondContact O-N 3.47Å; L506-K510 WeakPolarHBondContact O-CB 3.44Å; L506-K510 PolarHBondContact O-N 3.32Å; L506-V541 HydrophobicContact CD2-CG1 4.37Å; L506-Y544 HydrophobicContact CD2-CE2 4.04Å
507	E	88.5	Confident	87.3	Confident	143 Å²	143	56.4 Å²	56.4	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-63	-44.6	178.1	-173.9	-174.8	167.6	0	0	110.8	I504 Y505 K510 S511	I504-E507 PolarHBondContact O-N 3.5Å; Y505-E507 PolarHBondContact O-N 2.94Å; E507-K510 PolarHBondContact O-N 3.41Å; E507-S511 PolarHBondContact O-N 3Å
508	R	88.9	Confident	87.1	Confident	94 Å²	94	62.2 Å²	62.2	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-44.4	178	-67.4	-65.1	-175.3	-177.3	-0.9	112.3	I504 Y505 L506 K510 S511 L512 L589	I504-R508 HydrophobicContact CD1-CG 4.47Å; I504-R508 PolarHBondContact O-N 3Å; I504-R508 VanDerWaalsContact O-N 3.14Å; Y505-R508 PolarHBondContact O-N 3.24Å; L506-R508 VanDerWaalsContact C-N 3.35Å; R508-K510 VanDerWaalsContact C-N 3.3Å; R508-K510 PolarHBondContact O-N 3.42Å; R508-S511 PolarHBondContact O-N 3.43Å; R508-L512 WeakPolarHBondContact O-CB 3.38Å; R508-L512 VanDerWaalsContact O-CG 3.25Å; R508-L512 WeakPolarHBondContact O-CG 3.38Å; R508-L512 PolarHBondContact O-N 3.02Å; R508-L589 HydrophobicContact CB-CB 4.06Å; R508-L589 HydrophobicContact CB-CD1 4.12Å; R508-L589 HydrophobicContact CB-CD2 4.38Å; R508-L589 HydrophobicContact CB-CG 4.43Å; R508-L589 HydrophobicContact CG-CB 4.4Å
509	L	90.2	Very high	87.4	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-41.8	175.9	-74.7	175.9	0	0	0	111.5	I495 Y505 L506 L512 G513 F517 L527 V541 L589	I495-L509 HydrophobicContact CD1-CD2 4.18Å; Y505-L509 HydrophobicContact CD2-CD1 3.85Å; Y505-L509 HydrophobicContact CE2-CD1 4.49Å; Y505-L509 WeakPolarHBondContact O-CB 3.38Å; Y505-L509 VanDerWaalsContact O-CG 3.25Å; Y505-L509 WeakPolarHBondContact O-CG 3.32Å; Y505-L509 PolarHBondContact O-N 2.9Å; L506-L509 PolarHBondContact O-N 3.47Å; L509-L512 PolarHBondContact O-N 3Å; L509-G513 PolarHBondContact O-N 3.03Å; L509-F517 HydrophobicContact CD2-CE2 4.35Å; L509-F517 HydrophobicContact CD2-CZ 3.94Å; L509-L527 HydrophobicContact CD1-CD1 3.87Å; L509-L527 HydrophobicContact CD1-CD2 4.49Å; L509-L527 HydrophobicContact CD2-CD2 4.19Å; L509-V541 HydrophobicContact CD1-CG1 4.43Å; L509-L589 HydrophobicContact CD2-CD2 3.93Å; L509-L589 HydrophobicContact CG-CD2 4.46Å
510	K	87.5	Confident	87.7	Confident	147 Å²	147	62 Å²	62	64%	0.639	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-45.1	175.3	-173.4	179.6	179.1	-178.8	0	112	L506 E507 R508 L512 G513 Y544	L506-K510 WeakPolarHBondContact O-CB 3.44Å; L506-K510 PolarHBondContact O-N 3.32Å; E507-K510 PolarHBondContact O-N 3.41Å; R508-K510 VanDerWaalsContact C-N 3.3Å; R508-K510 PolarHBondContact O-N 3.42Å; K510-L512 VanDerWaalsContact C-N 3.35Å; K510-L512 PolarHBondContact O-N 3.16Å; K510-G513 PolarHBondContact O-N 3.07Å; K510-Y544 HydrophobicContact CB-CD1 3.96Å; K510-Y544 HydrophobicContact CB-CE1 3.8Å; K510-Y544 HydrophobicContact CD-CE1 4.37Å; K510-Y544 HydrophobicContact CG-CD1 4.24Å; K510-Y544 HydrophobicContact CG-CE1 4.03Å
511	S	86.3	Confident	88.3	Confident	73 Å²	73	57.1 Å²	57.1	51%	0.51	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-41.9	177.7	-175.7	0	0	0	0	112.1	E507 R508	E507-S511 PolarHBondContact O-N 3Å; R508-S511 PolarHBondContact O-N 3.43Å
512	L	85.5	Confident	88.7	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-77.2	-30.1	-178.8	-67.7	168.1	0	0	0	112.4	R508 L509 K510 G514 I515 L516 F517 Y587 L589	R508-L512 WeakPolarHBondContact O-CB 3.38Å; R508-L512 VanDerWaalsContact O-CG 3.25Å; R508-L512 WeakPolarHBondContact O-CG 3.38Å; R508-L512 PolarHBondContact O-N 3.02Å; L509-L512 PolarHBondContact O-N 3Å; K510-L512 VanDerWaalsContact C-N 3.35Å; K510-L512 PolarHBondContact O-N 3.16Å; L512-G514 PolarHBondContact O-N 3.07Å; L512-I515 CarbonylContact O-C 3.43Å; L512-I515 PolarHBondContact O-N 3.22Å; L512-L516 HydrophobicContact CD2-CD1 4Å; L512-L516 HydrophobicContact CD2-CG 4.49Å; L512-L516 PolarHBondContact O-N 3.5Å; L512-F517 HydrophobicContact CB-CE1 4.4Å; L512-F517 HydrophobicContact CB-CZ 4.24Å; L512-Y587 HydrophobicContact CD1-CE1 3.71Å; L512-Y587 WeakPolarHBondContact CD2-OH 3.31Å; L512-L589 HydrophobicContact CD1-CD2 3.49Å; L512-L589 VanDerWaalsContact CD1-CD2 3.49Å
513	G	80.5	Confident	89	Confident	8 Å²	8	60.6 Å²	60.6	8%	0.082	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-33.4	176	0	0	0	0	0	113.4	L509 K510 I515 H518	L509-G513 PolarHBondContact O-N 3.03Å; K510-G513 PolarHBondContact O-N 3.07Å; G513-I515 PolarHBondContact O-N 3.36Å; G513-H518 PolarHBondContact O-CE1 2.87Å; G513-H518 PolarHBondContact O-ND1 3.13Å
514	G	77.6	Confident	89.4	Confident	58 Å²	58	56.9 Å²	56.9	60%	0.598	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.1	172.6	0	0	0	0	0	114.7	L512	L512-G514 PolarHBondContact O-N 3.07Å
515	I	83.9	Confident	89.6	Confident	87 Å²	87	54.3 Å²	54.3	45%	0.446	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-81.5	-172.3	-54.8	173	0	0	0	109.2	L512 G513 F517 V595	L512-I515 CarbonylContact O-C 3.43Å; L512-I515 PolarHBondContact O-N 3.22Å; G513-I515 PolarHBondContact O-N 3.36Å; I515-F517 PolarHBondContact O-N 3.28Å; I515-V595 HydrophobicContact CG2-CG2 4.11Å; I515-V595 WeakPolarHBondContact O-CG2 3.46Å
516	L	87.2	Confident	89.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-70	-30.7	-166.6	-67.2	-176.2	0	0	0	115.1	L512 H518 S519 Y587 I593 V595 L598	L512-L516 HydrophobicContact CD2-CD1 4Å; L512-L516 HydrophobicContact CD2-CG 4.49Å; L512-L516 PolarHBondContact O-N 3.5Å; L516-H518 PolarHBondContact O-N 3.22Å; L516-H518 VanDerWaalsContact O-N 3.11Å; L516-S519 PolarHBondContact O-N 3.39Å; L516-Y587 HydrophobicContact CD1-CE1 4.31Å; L516-Y587 HydrophobicContact CD1-CE2 3.89Å; L516-Y587 WeakPolarHBondContact CD1-OH 3.47Å; L516-I593 HydrophobicContact CD1-CD1 4.29Å; L516-I593 HydrophobicContact CD1-CG1 3.81Å; L516-I593 HydrophobicContact CD2-CG1 4.05Å; L516-I593 WeakPolarHBondContact CD2-O 3.45Å; L516-V595 HydrophobicContact CD2-CG2 4.3Å; L516-L598 HydrophobicContact CB-CD2 4.36Å; L516-L598 HydrophobicContact CD2-CB 4.42Å; L516-L598 HydrophobicContact CD2-CD2 4.14Å
517	F	89.7	Confident	90.1	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-74	-2.2	-174.5	-58.5	-12.8	0	0	0	113.6	M493 L509 L512 I515 L522 I525 Y544 A545 P546	M493-F517 HydrophobicContact CE-CD1 4.44Å; M493-F517 HydrophobicContact CE-CE1 4.42Å; M493-F517 HydrophobicContact SD-CD1 4.27Å; M493-F517 HydrophobicContact SD-CE1 3.73Å; L509-F517 HydrophobicContact CD2-CE2 4.35Å; L509-F517 HydrophobicContact CD2-CZ 3.94Å; L512-F517 HydrophobicContact CB-CE1 4.4Å; L512-F517 HydrophobicContact CB-CZ 4.24Å; I515-F517 PolarHBondContact O-N 3.28Å; F517-L522 HydrophobicContact CB-CD2 4.21Å; F517-L522 HydrophobicContact CD1-CD2 4.28Å; F517-I525 HydrophobicContact CD1-CD1 3.68Å; F517-I525 HydrophobicContact CD2-CD1 3.79Å; F517-I525 HydrophobicContact CE1-CD1 3.71Å; F517-I525 HydrophobicContact CE2-CD1 3.84Å; F517-I525 HydrophobicContact CG-CD1 3.75Å; F517-I525 HydrophobicContact CZ-CD1 3.8Å; F517-Y544 WeakPolarHBondContact CD2-O 3.46Å; F517-A545 HydrophobicContact CB-CB 4.2Å; F517-A545 HydrophobicContact CD2-CB 3.6Å; F517-A545 HydrophobicContact CE2-CB 4.32Å; F517-A545 HydrophobicContact CG-CB 4.14Å; F517-P546 WeakPolarHBondContact O-CD 3.18Å; F517-P546 WeakPolarHBondContact O-CG 3.37Å
518	H	87.4	Confident	90.3	Very high	121 Å²	121	43.9 Å²	43.9	56%	0.56	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-89.5	3.3	172.6	-63.2	94.7	0	0	0	113.9	G513 L516 E520	G513-H518 PolarHBondContact O-CE1 2.87Å; G513-H518 PolarHBondContact O-ND1 3.13Å; L516-H518 PolarHBondContact O-N 3.22Å; L516-H518 VanDerWaalsContact O-N 3.11Å; H518-E520 PolarHBondContact O-N 3Å
519	S	93.9	Very high	90.5	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.049	21%	0.206	C	C	.	.			trans	-55.6	128.2	172.8	172.2	0	0	0	0	111	L516 F521 L522 N599	L516-S519 PolarHBondContact O-N 3.39Å; S519-F521 PolarHBondContact O-N 3.44Å; S519-F521 VanDerWaalsContact O-N 3.15Å; S519-F521 PolarHBondContact OG-N 3.35Å; S519-L522 PolarHBondContact O-N 3.46Å; S519-N599 WeakPolarHBondContact CB-OD1 3.45Å; S519-N599 PolarHBondContact OG-OD1 3.47Å
520	E	93.3	Very high	90.5	Very high	133 Å²	133	40.2 Å²	40.2	62%	0.621	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.2	179.1	66.7	-178.5	154.2	0	0	113.7	H518 R523	H518-E520 PolarHBondContact O-N 3Å; E520-R523 PolarHBondContact O-NH1 3.31Å; E520-R523 PolarHBondContact O-NH2 3.39Å
521	F	96.3	Very high	90.6	Very high	34 Å²	34	33.7 Å²	33.7	15%	0.149	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-10.8	-178.6	-54.7	-64.7	0	0	0	113.2	G490 F491 S519 R523 N599 Y602 L603	G490-F521 CarbonylContact C-O 3.59Å; G490-F521 WeakPolarHBondContact CA-O 3.25Å; F491-F521 HydrophobicContact CD1-CB 3.77Å; F491-F521 HydrophobicContact CE1-CB 3.68Å; F491-F521 PolarHBondContact N-O 3.3Å; S519-F521 PolarHBondContact O-N 3.44Å; S519-F521 VanDerWaalsContact O-N 3.15Å; S519-F521 PolarHBondContact OG-N 3.35Å; F521-R523 PolarHBondContact O-N 3.02Å; F521-N599 HydrophobicContact CD2-CB 4.25Å; F521-N599 HydrophobicContact CE2-CB 4.1Å; F521-Y602 HydrophobicContact CB-CD1 3.66Å; F521-Y602 HydrophobicContact CB-CE1 3.62Å; F521-Y602 HydrophobicContact CB-CG 4.4Å; F521-Y602 AromaticContact CD1-CD1 3.95Å; F521-Y602 HydrophobicContact CD1-CD1 3.95Å; F521-Y602 AromaticContact CD1-CE1 3.52Å; F521-Y602 HydrophobicContact CD1-CE1 3.52Å; F521-Y602 AromaticContact CD2-CD1 3.6Å; F521-Y602 HydrophobicContact CD2-CD1 3.6Å; F521-Y602 HydrophobicContact CD2-CE1 4.07Å; F521-Y602 HydrophobicContact CE1-CE1 4.19Å; F521-Y602 HydrophobicContact CE2-CD1 4.22Å; F521-Y602 AromaticContact CG-CD1 3.45Å; F521-Y602 HydrophobicContact CG-CD1 3.45Å; F521-Y602 VanDerWaalsContact CG-CD1 3.45Å; F521-Y602 AromaticContact CG-CE1 3.45Å; F521-Y602 HydrophobicContact CG-CE1 3.45Å; F521-Y602 VanDerWaalsContact CG-CE1 3.45Å; F521-L603 HydrophobicContact CE2-CD2 4.37Å; F521-L603 HydrophobicContact CE2-CG 4.46Å; F521-L603 HydrophobicContact CZ-CD2 4.06Å
522	L	96.9	Very high	90.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133	177.1	-179.3	62.9	0	0	0	109.9	F491 M493 F517 S519 I525 V547	F491-L522 HydrophobicContact CD2-CD1 4Å; F491-L522 HydrophobicContact CE2-CB 4.23Å; F491-L522 HydrophobicContact CE2-CD1 3.54Å; F491-L522 HydrophobicContact CE2-CG 4.46Å; F491-L522 HydrophobicContact CZ-CB 4.02Å; F491-L522 HydrophobicContact CZ-CD1 4.2Å; M493-L522 HydrophobicContact CB-CD1 3.78Å; M493-L522 HydrophobicContact CE-CD1 4.45Å; F517-L522 HydrophobicContact CB-CD2 4.21Å; F517-L522 HydrophobicContact CD1-CD2 4.28Å; S519-L522 PolarHBondContact O-N 3.46Å; L522-I525 HydrophobicContact CD1-CG1 4.22Å; L522-I525 HydrophobicContact CD2-CD1 4.13Å; L522-I525 HydrophobicContact CD2-CG1 4.12Å; L522-V547 HydrophobicContact CD2-CG2 3.75Å; L522-V547 HydrophobicContact CG-CG1 4.25Å; L522-V547 HydrophobicContact CG-CG2 3.86Å
523	R	96.6	Very high	90.6	Very high	105 Å²	105	43.1 Å²	43.1	40%	0.396	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-33.6	-179.7	-64.3	-65.9	173.4	-96.5	-0.2	113.9	S489 F491 E520 F521 T581	S489-R523 WeakPolarHBondContact O-CG 3.39Å; S489-R523 PolarHBondContact O-NE 3.16Å; F491-R523 PolarHBondContact O-N 3.12Å; E520-R523 PolarHBondContact O-NH1 3.31Å; E520-R523 PolarHBondContact O-NH2 3.39Å; F521-R523 PolarHBondContact O-N 3.02Å; R523-T581 HydrophobicContact CB-CG2 4.04Å; R523-T581 HydrophobicContact CG-CG2 4.02Å
524	K	96.1	Very high	90.8	Very high	30 Å²	30	52 Å²	52	13%	0.13	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149	-177.7	-170.3	172.7	-178.1	-179.3	0	110.4	T492 M493 I526 P548 E550 E578 P580	T492-K524 CarbonylContact C-O 3.46Å; T492-K524 WeakPolarHBondContact CA-O 3.18Å; T492-K524 HydrophobicContact CG2-CB 4.12Å; M493-K524 PolarHBondContact N-O 3.35Å; K524-I526 HydrophobicContact CD-CG1 4.39Å; K524-I526 HydrophobicContact CG-CG1 4.39Å; K524-P548 HydrophobicContact CG-CB 4.48Å; K524-P548 WeakPolarHBondContact CG-O 3.29Å; K524-E550 WeakPolarHBondContact CE-OE2 3.32Å; K524-E550 IonicContact NZ-OE2 2.67Å; K524-E550 PolarHBondContact NZ-OE2 3.2Å; K524-E578 WeakPolarHBondContact CD-O 3.5Å; K524-E578 WeakPolarHBondContact CE-O 3.17Å; K524-E578 PolarHBondContact NZ-O 3.44Å; K524-P580 HydrophobicContact CB-CG 4.39Å; K524-P580 HydrophobicContact CD-CG 4.25Å
525	I	95.3	Very high	91.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.2	170.5	-56.4	173.8	0	0	0	108.2	M493 I495 F517 L522 L527 A545 V547 P548 V549 E550	M493-I525 HydrophobicContact CB-CG1 4.29Å; M493-I525 CarbonylContact O-C 3.59Å; M493-I525 WeakPolarHBondContact O-CA 3.49Å; I495-I525 HydrophobicContact CD1-CG2 3.92Å; I495-I525 HydrophobicContact CG1-CG2 4.43Å; F517-I525 HydrophobicContact CD1-CD1 3.68Å; F517-I525 HydrophobicContact CD2-CD1 3.79Å; F517-I525 HydrophobicContact CE1-CD1 3.71Å; F517-I525 HydrophobicContact CE2-CD1 3.84Å; F517-I525 HydrophobicContact CG-CD1 3.75Å; F517-I525 HydrophobicContact CZ-CD1 3.8Å; L522-I525 HydrophobicContact CD1-CG1 4.22Å; L522-I525 HydrophobicContact CD2-CD1 4.13Å; L522-I525 HydrophobicContact CD2-CG1 4.12Å; I525-L527 HydrophobicContact CG2-CD2 3.98Å; I525-A545 HydrophobicContact CD1-CB 3.62Å; I525-V547 HydrophobicContact CD1-CG2 3.99Å; I525-V547 HydrophobicContact CG1-CG2 3.84Å; I525-P548 PolarHBondContact N-O 3.19Å; I525-V549 HydrophobicContact CB-CG1 4.35Å; I525-V549 HydrophobicContact CB-CG2 4.25Å; I525-V549 HydrophobicContact CD1-CG2 4.28Å; I525-V549 HydrophobicContact CG2-CG1 4.36Å; I525-V549 WeakPolarHBondContact O-CA 3.45Å; I525-E550 PolarHBondContact O-N 3.09Å
526	I	95.3	Very high	91.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	174.7	-62.3	177.3	0	0	0	108.4	T492 M493 L494 I495 K524 V528 E550 V552 E578 I579	T492-I526 HydrophobicContact CG2-CD1 3.82Å; T492-I526 HydrophobicContact CG2-CG1 3.96Å; M493-I526 PolarHBondContact O-N 2.89Å; L494-I526 HydrophobicContact CD1-CB 3.81Å; L494-I526 HydrophobicContact CD1-CG2 3.68Å; I495-I526 PolarHBondContact N-O 3.33Å; K524-I526 HydrophobicContact CD-CG1 4.39Å; K524-I526 HydrophobicContact CG-CG1 4.39Å; I526-V528 HydrophobicContact CG2-CG2 4.42Å; I526-E550 WeakPolarHBondContact CA-O 3.36Å; I526-V552 HydrophobicContact CG2-CB 4.18Å; I526-V552 HydrophobicContact CG2-CG2 3.77Å; I526-E578 HydrophobicContact CD1-CB 3.89Å; I526-I579 HydrophobicContact CD1-CB 4.43Å; I526-I579 HydrophobicContact CD1-CG1 3.53Å
527	L	94.7	Very high	91.2	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111	173.5	-53.9	-177.4	0	0	0	108.1	I495 I497 L509 I525 W529 V541 V549 E550 I551 V552	I495-L527 HydrophobicContact CB-CD2 3.85Å; I495-L527 HydrophobicContact CD1-CD2 3.97Å; I495-L527 HydrophobicContact CG1-CD2 4.28Å; I495-L527 HydrophobicContact CG2-CD2 4.41Å; I495-L527 WeakPolarHBondContact O-CA 3.41Å; I497-L527 HydrophobicContact CD1-CD2 4.5Å; I497-L527 HydrophobicContact CG1-CB 4.39Å; L509-L527 HydrophobicContact CD1-CD1 3.87Å; L509-L527 HydrophobicContact CD1-CD2 4.49Å; L509-L527 HydrophobicContact CD2-CD2 4.19Å; I525-L527 HydrophobicContact CG2-CD2 3.98Å; L527-W529 PolarHBondContact O-N 3.06Å; L527-V541 HydrophobicContact CD1-CB 4.43Å; L527-V541 HydrophobicContact CD1-CG1 4.17Å; L527-V541 HydrophobicContact CD1-CG2 4.46Å; L527-V549 HydrophobicContact CD1-CG1 4.09Å; L527-V549 HydrophobicContact CG-CG1 4.17Å; L527-E550 PolarHBondContact N-O 3.3Å; L527-I551 HydrophobicContact CB-CG1 4.14Å; L527-I551 HydrophobicContact CD1-CG1 4.04Å; L527-I551 WeakPolarHBondContact O-CA 3.25Å; L527-V552 PolarHBondContact O-N 3.2Å
528	V	94	Very high	90.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.1	175.3	-175.4	0	0	0	0	107.6	L494 I495 I497 I526 E530 V571 F576	L494-V528 HydrophobicContact CD1-CG2 3.44Å; L494-V528 VanDerWaalsContact CD1-CG2 3.44Å; L494-V528 HydrophobicContact CG-CG2 4.02Å; I495-V528 PolarHBondContact O-N 3.14Å; I497-V528 PolarHBondContact N-O 2.91Å; I526-V528 HydrophobicContact CG2-CG2 4.42Å; V528-E530 HydrophobicContact CG1-CG 4.3Å; V528-E530 PolarHBondContact O-N 2.97Å; V528-V571 HydrophobicContact CG1-CG1 3.99Å; V528-F576 HydrophobicContact CG1-CZ 4.18Å; V528-F576 HydrophobicContact CG2-CE2 4.04Å; V528-F576 HydrophobicContact CG2-CZ 3.94Å
529	W	92.7	Very high	90.5	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106	-172.4	-170.6	-98.7	0	0	0	111.4	I497 Y505 L527 C531 N533 P535 I551 V552 L553 P554	I497-W529 HydrophobicContact CB-CE3 4.23Å; I497-W529 HydrophobicContact CG1-CE3 4.41Å; I497-W529 HydrophobicContact CG2-CE3 4.29Å; I497-W529 HydrophobicContact CG2-CZ3 4.09Å; Y505-W529 HydrophobicContact CE1-CH2 4.05Å; Y505-W529 HydrophobicContact CE1-CZ3 4.19Å; Y505-W529 HydrophobicContact CE2-CZ3 4.23Å; L527-W529 PolarHBondContact O-N 3.06Å; W529-C531 HydrophobicContact CD2-CB 4.24Å; W529-C531 HydrophobicContact CH2-CB 4.27Å; W529-C531 HydrophobicContact CZ2-CB 3.57Å; W529-N533 WeakPolarHBondContact CZ2-OD1 3.21Å; W529-N533 PolarHBondContact NE1-O 3.14Å; W529-P535 HydrophobicContact CB-CB 4.49Å; W529-P535 HydrophobicContact CD2-CB 3.79Å; W529-P535 VanDerWaalsContact CE2-CA 3.45Å; W529-P535 HydrophobicContact CE3-CB 4.37Å; W529-P535 HydrophobicContact CG-CB 3.84Å; W529-I551 HydrophobicContact CB-CG2 3.88Å; W529-I551 HydrophobicContact CE3-CG2 4.48Å; W529-I551 HydrophobicContact CG-CG2 4.43Å; W529-V552 PolarHBondContact N-O 3.24Å; W529-L553 HydrophobicContact CB-CD2 4.19Å; W529-L553 HydrophobicContact CG-CD2 4.37Å; W529-P554 VanDerWaalsContact O-CD 3.27Å; W529-P554 WeakPolarHBondContact O-CD 3.3Å
530	E	90.1	Very high	90	Very high	17 Å²	17	58.3 Å²	58.3	8%	0.079	28%	0.278	C	S	.	.			trans	-109.5	13.7	179.6	-58.6	175.9	-160.6	0	0	111.9	P496 I497 R498 V528 I567	P496-E530 WeakPolarHBondContact CB-OE1 3.31Å; I497-E530 CarbonylContact O-C 3.47Å; I497-E530 WeakPolarHBondContact O-CA 3.37Å; I497-E530 WeakPolarHBondContact O-CB 3.31Å; I497-E530 PolarHBondContact O-N 2.8Å; I497-E530 VanDerWaalsContact O-N 3.13Å; R498-E530 WeakPolarHBondContact CG-OE2 3.41Å; R498-E530 IonicContact NE-OE2 3.2Å; V528-E530 HydrophobicContact CG1-CG 4.3Å; V528-E530 PolarHBondContact O-N 2.97Å; E530-I567 HydrophobicContact CB-CG2 4.4Å; E530-I567 HydrophobicContact CG-CG2 4.33Å
531	C	89.1	Confident	89.5	Confident	9 Å²	9	52 Å²	52	6%	0.061	25%	0.249	C	C	.	.			trans	-83.1	152.7	177.6	-55.3	0	0	0	0	112.1	I497 C502 W529 N533	I497-C531 PolarHBondContact O-SG 2.84Å; C502-C531 VanDerWaalsContact CA-SG 3.54Å; C502-C531 HydrophobicContact CB-CB 3.92Å; C502-C531 WeakPolarHBondContact CB-SG 3.13Å; C502-C531 VanDerWaalsContact SG-CA 3.52Å; C502-C531 WeakPolarHBondContact SG-CB 3.31Å; C502-C531 CovalentContact SG-SG 2.02Å; C502-C531 PolarHBondContact SG-SG 3.03Å; W529-C531 HydrophobicContact CD2-CB 4.24Å; W529-C531 HydrophobicContact CH2-CB 4.27Å; W529-C531 HydrophobicContact CZ2-CB 3.57Å; C531-N533 WeakPolarHBondContact CB-OD1 3.25Å
532	K	84.3	Confident	88.9	Confident	193 Å²	193	55.8 Å²	55.8	84%	0.839	27%	0.265	S	S	*	.	S	Bend	trans	-73.5	-25.8	178.3	-66.9	-176.7	177.8	178.1	0	113.6
533	N	87.1	Confident	88.3	Confident	89 Å²	89	60.3 Å²	60.3	48%	0.476	30%	0.297	S	S	.	.	S	Bend	trans	-79.2	161.6	175.8	57.3	-34.7	0	0	0	111	W529 C531	W529-N533 WeakPolarHBondContact CZ2-OD1 3.21Å; W529-N533 PolarHBondContact NE1-O 3.14Å; C531-N533 WeakPolarHBondContact CB-OD1 3.25Å
534	F	85.6	Confident	87.7	Confident	196 Å²	196	58.6 Å²	58.6	86%	0.86	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-60.6	140.8	173.1	-71.3	-76.5	0	0	0	110.9
535	P	87	Confident	87.3	Confident	41 Å²	41	57.9 Å²	57.9	27%	0.266	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-61.4	147.9	173	27.3	-35	0	0	0	110.7	W529 I551 L553	W529-P535 HydrophobicContact CB-CB 4.49Å; W529-P535 HydrophobicContact CD2-CB 3.79Å; W529-P535 VanDerWaalsContact CE2-CA 3.45Å; W529-P535 HydrophobicContact CE3-CB 4.37Å; W529-P535 HydrophobicContact CG-CB 3.84Å; P535-I551 HydrophobicContact CB-CG2 3.78Å; P535-L553 HydrophobicContact CG-CD2 3.97Å; P535-L553 HydrophobicContact CG-CG 4.41Å
536	P	85.4	Confident	87	Confident	21 Å²	21	62.4 Å²	62.4	14%	0.136	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64	166.1	171.5	33.2	-40.1	0	0	0	110.5	Y505 N538 E540 I551	Y505-P536 HydrophobicContact CE2-CG 4.32Å; Y505-P536 VanDerWaalsContact OH-CG 3.32Å; Y505-P536 WeakPolarHBondContact OH-CG 3.24Å; P536-N538 PolarHBondContact O-N 3.22Å; P536-E540 VanDerWaalsContact CB-OE2 3.3Å; P536-E540 WeakPolarHBondContact CB-OE2 3.35Å; P536-I551 HydrophobicContact CG-CD1 3.6Å; P536-I551 WeakPolarHBondContact O-CD1 3.42Å
537	N	84.1	Confident	86.8	Confident	94 Å²	94	63.6 Å²	63.6	50%	0.503	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.5	136.9	172.6	-172.3	-22.1	0	0	0	109.8	N539 E540	N537-N539 PolarHBondContact O-N 3.45Å; N537-N539 PolarHBondContact OD1-N 3.38Å; N537-N539 VanDerWaalsContact OD1-N 3.12Å; N537-E540 WeakPolarHBondContact O-CB 3.42Å; N537-E540 PolarHBondContact O-N 3.29Å
538	N	81.6	Confident	86.8	Confident	52 Å²	52	67.6 Å²	67.6	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-49.9	-29.1	174.6	-73	4.5	0	0	0	112.7	P536 E540 V541 K542 I551	P536-N538 PolarHBondContact O-N 3.22Å; N538-E540 VanDerWaalsContact C-N 3.26Å; N538-E540 PolarHBondContact O-N 3.24Å; N538-V541 VanDerWaalsContact O-CG2 3.27Å; N538-V541 WeakPolarHBondContact O-CG2 3.49Å; N538-V541 PolarHBondContact O-N 3.17Å; N538-K542 VanDerWaalsContact O-CG 3.31Å; N538-K542 WeakPolarHBondContact O-CG 3.45Å; N538-K542 PolarHBondContact O-N 2.9Å; N538-I551 WeakPolarHBondContact OD1-CB 3.39Å
539	N	82.3	Confident	86.7	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-28.6	176.8	-68.8	-16.1	0	0	0	114.2	N537 V541 K542	N537-N539 PolarHBondContact O-N 3.45Å; N537-N539 PolarHBondContact OD1-N 3.38Å; N537-N539 VanDerWaalsContact OD1-N 3.12Å; N539-V541 VanDerWaalsContact C-N 3.31Å; N539-V541 PolarHBondContact O-N 2.77Å; N539-K542 PolarHBondContact OD1-NZ 2.86Å
540	E	81.4	Confident	86.7	Confident	102 Å²	102	70.8 Å²	70.8	48%	0.477	37%	0.37	S	S	.	.	H	α-helix	trans	-70.8	-28.8	179.4	-67.1	175.5	-153.4	0	0	112.3	P536 N537 N538 Y544	P536-E540 VanDerWaalsContact CB-OE2 3.3Å; P536-E540 WeakPolarHBondContact CB-OE2 3.35Å; N537-E540 WeakPolarHBondContact O-CB 3.42Å; N537-E540 PolarHBondContact O-N 3.29Å; N538-E540 VanDerWaalsContact C-N 3.26Å; N538-E540 PolarHBondContact O-N 3.24Å; E540-Y544 WeakPolarHBondContact O-CE2 3.2Å
541	V	84.5	Confident	86.9	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-97.9	-18	-177	-64.7	0	0	0	0	114	L506 L509 L527 N538 N539 S543 Y544 V549 I551	L506-V541 HydrophobicContact CD2-CG1 4.37Å; L509-V541 HydrophobicContact CD1-CG1 4.43Å; L527-V541 HydrophobicContact CD1-CB 4.43Å; L527-V541 HydrophobicContact CD1-CG1 4.17Å; L527-V541 HydrophobicContact CD1-CG2 4.46Å; N538-V541 VanDerWaalsContact O-CG2 3.27Å; N538-V541 WeakPolarHBondContact O-CG2 3.49Å; N538-V541 PolarHBondContact O-N 3.17Å; N539-V541 VanDerWaalsContact C-N 3.31Å; N539-V541 PolarHBondContact O-N 2.77Å; V541-S543 PolarHBondContact O-N 3.02Å; V541-Y544 HydrophobicContact CB-CD2 4.38Å; V541-Y544 WeakPolarHBondContact O-CD2 3.24Å; V541-Y544 PolarHBondContact O-N 3.21Å; V541-V549 HydrophobicContact CB-CG1 4.1Å; V541-V549 HydrophobicContact CG2-CB 4.27Å; V541-V549 HydrophobicContact CG2-CG1 3.75Å; V541-I551 HydrophobicContact CG1-CD1 4.41Å; V541-I551 HydrophobicContact CG2-CD1 4.01Å; V541-I551 HydrophobicContact CG2-CG1 4.19Å
542	K	82.5	Confident	87.1	Confident	113 Å²	113	70.9 Å²	70.9	49%	0.491	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.4	-179	-83.8	174.1	-167.9	171.8	0	114	N538 N539 Y544	N538-K542 VanDerWaalsContact O-CG 3.31Å; N538-K542 WeakPolarHBondContact O-CG 3.45Å; N538-K542 PolarHBondContact O-N 2.9Å; N539-K542 PolarHBondContact OD1-NZ 2.86Å; K542-Y544 VanDerWaalsContact C-N 3.3Å; K542-Y544 PolarHBondContact O-N 2.85Å
543	S	84	Confident	87.3	Confident	98 Å²	98	66.7 Å²	66.7	69%	0.685	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-77.7	-12.5	-176.5	56.9	0	0	0	0	114.1	V541	V541-S543 PolarHBondContact O-N 3.02Å
544	Y	84.4	Confident	87.2	Confident	69 Å²	69	63.8 Å²	63.8	27%	0.271	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-85	-15.9	-175.1	-63.4	-63.9	0	0	0	114.3	L506 K510 F517 E540 V541 K542	L506-Y544 HydrophobicContact CD2-CE2 4.04Å; K510-Y544 HydrophobicContact CB-CD1 3.96Å; K510-Y544 HydrophobicContact CB-CE1 3.8Å; K510-Y544 HydrophobicContact CD-CE1 4.37Å; K510-Y544 HydrophobicContact CG-CD1 4.24Å; K510-Y544 HydrophobicContact CG-CE1 4.03Å; F517-Y544 WeakPolarHBondContact CD2-O 3.46Å; E540-Y544 WeakPolarHBondContact O-CE2 3.2Å; V541-Y544 HydrophobicContact CB-CD2 4.38Å; V541-Y544 WeakPolarHBondContact O-CD2 3.24Å; V541-Y544 PolarHBondContact O-N 3.21Å; K542-Y544 VanDerWaalsContact C-N 3.3Å; K542-Y544 PolarHBondContact O-N 2.85Å
545	A	87.3	Confident	87.1	Confident	14 Å²	14	56.7 Å²	56.7	12%	0.116	31%	0.313	C	S	.	.			trans	-134.5	147.8	-176.1	0	0	0	0	0	111.5	F517 I525 V547 V549	F517-A545 HydrophobicContact CB-CB 4.2Å; F517-A545 HydrophobicContact CD2-CB 3.6Å; F517-A545 HydrophobicContact CE2-CB 4.32Å; F517-A545 HydrophobicContact CG-CB 4.14Å; I525-A545 HydrophobicContact CD1-CB 3.62Å; A545-V547 HydrophobicContact CB-CG2 4.09Å; A545-V547 PolarHBondContact O-N 3.06Å; A545-V549 HydrophobicContact CB-CG2 3.68Å
546	P	88.9	Confident	86.6	Confident	97 Å²	97	61.3 Å²	61.3	63%	0.63	33%	0.331	S	S	*	.	S	Bend	trans	-73.7	-11.3	173.8	31.3	-34.6	0	0	0	112.9	F517	F517-P546 WeakPolarHBondContact O-CD 3.18Å; F517-P546 WeakPolarHBondContact O-CG 3.37Å
547	V	92.6	Very high	86.2	Confident	25 Å²	25	69.9 Å²	69.9	15%	0.152	36%	0.361	C	S	.	.	S	Bend	trans	-106.4	159.8	179.5	-64.8	0	0	0	0	111.1	L522 I525 A545 V549	L522-V547 HydrophobicContact CD2-CG2 3.75Å; L522-V547 HydrophobicContact CG-CG1 4.25Å; L522-V547 HydrophobicContact CG-CG2 3.86Å; I525-V547 HydrophobicContact CD1-CG2 3.99Å; I525-V547 HydrophobicContact CG1-CG2 3.84Å; A545-V547 HydrophobicContact CB-CG2 4.09Å; A545-V547 PolarHBondContact O-N 3.06Å; V547-V549 PolarHBondContact O-N 3.11Å
548	P	93.6	Very high	85.5	Confident	86 Å²	86	68.7 Å²	68.7	56%	0.558	35%	0.351	S	S	*	.			trans	-55.4	130.3	174.5	-25.3	34.8	0	0	0	112.4	K524 I525	K524-P548 HydrophobicContact CG-CB 4.48Å; K524-P548 WeakPolarHBondContact CG-O 3.29Å; I525-P548 PolarHBondContact N-O 3.19Å
549	V	93.2	Very high	84.8	Confident	12 Å²	12	68.5 Å²	68.5	7%	0.073	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.3	173.2	-171.5	0	0	0	0	108.7	I525 L527 V541 A545 V547	I525-V549 HydrophobicContact CB-CG1 4.35Å; I525-V549 HydrophobicContact CB-CG2 4.25Å; I525-V549 HydrophobicContact CD1-CG2 4.28Å; I525-V549 HydrophobicContact CG2-CG1 4.36Å; I525-V549 WeakPolarHBondContact O-CA 3.45Å; L527-V549 HydrophobicContact CD1-CG1 4.09Å; L527-V549 HydrophobicContact CG-CG1 4.17Å; V541-V549 HydrophobicContact CB-CG1 4.1Å; V541-V549 HydrophobicContact CG2-CB 4.27Å; V541-V549 HydrophobicContact CG2-CG1 3.75Å; A545-V549 HydrophobicContact CB-CG2 3.68Å; V547-V549 PolarHBondContact O-N 3.11Å
550	E	92.7	Very high	84	Confident	60 Å²	60	66.5 Å²	66.5	28%	0.28	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	179.9	-174.4	167.8	-170	0	0	110.7	K524 I525 I526 L527 V552	K524-E550 WeakPolarHBondContact CE-OE2 3.32Å; K524-E550 IonicContact NZ-OE2 2.67Å; K524-E550 PolarHBondContact NZ-OE2 3.2Å; I525-E550 PolarHBondContact O-N 3.09Å; I526-E550 WeakPolarHBondContact CA-O 3.36Å; L527-E550 PolarHBondContact N-O 3.3Å; E550-V552 HydrophobicContact CG-CG2 4.21Å
551	I	93.2	Very high	83	Confident	17 Å²	17	70.4 Å²	70.4	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.2	173.1	-57	167.5	0	0	0	107.6	L527 W529 P535 P536 N538 V541	L527-I551 HydrophobicContact CB-CG1 4.14Å; L527-I551 HydrophobicContact CD1-CG1 4.04Å; L527-I551 WeakPolarHBondContact O-CA 3.25Å; W529-I551 HydrophobicContact CB-CG2 3.88Å; W529-I551 HydrophobicContact CE3-CG2 4.48Å; W529-I551 HydrophobicContact CG-CG2 4.43Å; P535-I551 HydrophobicContact CB-CG2 3.78Å; P536-I551 HydrophobicContact CG-CD1 3.6Å; P536-I551 WeakPolarHBondContact O-CD1 3.42Å; N538-I551 WeakPolarHBondContact OD1-CB 3.39Å; V541-I551 HydrophobicContact CG1-CD1 4.41Å; V541-I551 HydrophobicContact CG2-CD1 4.01Å; V541-I551 HydrophobicContact CG2-CG1 4.19Å
552	V	92.6	Very high	81.8	Confident	11 Å²	11	74.9 Å²	74.9	7%	0.067	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.9	-179.5	177.9	0	0	0	0	109.2	I526 L527 W529 E550 F576 E578	I526-V552 HydrophobicContact CG2-CB 4.18Å; I526-V552 HydrophobicContact CG2-CG2 3.77Å; L527-V552 PolarHBondContact O-N 3.2Å; W529-V552 PolarHBondContact N-O 3.24Å; E550-V552 HydrophobicContact CG-CG2 4.21Å; V552-F576 HydrophobicContact CG1-CD1 3.79Å; V552-F576 HydrophobicContact CG1-CE1 3.78Å; V552-E578 HydrophobicContact CG2-CB 4.45Å; V552-E578 HydrophobicContact CG2-CG 4.04Å
553	L	90.4	Very high	80.4	Confident	105 Å²	105	75.4 Å²	75.4	55%	0.55	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-88	142.8	172.7	-71.5	171.5	0	0	0	110.1	W529 P535 D555	W529-L553 HydrophobicContact CB-CD2 4.19Å; W529-L553 HydrophobicContact CG-CD2 4.37Å; P535-L553 HydrophobicContact CG-CD2 3.97Å; P535-L553 HydrophobicContact CG-CG 4.41Å; L553-D555 PolarHBondContact O-N 2.93Å
554	P	84.9	Confident	79.1	Confident	27 Å²	27	73.4 Å²	73.4	18%	0.175	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-56.6	129.1	173.3	-26.7	38.2	0	0	0	111.5	W529 E556 V571	W529-P554 VanDerWaalsContact O-CD 3.27Å; W529-P554 WeakPolarHBondContact O-CD 3.3Å; P554-E556 PolarHBondContact O-N 2.79Å; P554-V571 HydrophobicContact CB-CB 4.43Å; P554-V571 HydrophobicContact CB-CG1 3.38Å; P554-V571 HydrophobicContact CB-CG2 4.17Å; P554-V571 HydrophobicContact CG-CG1 3.37Å
555	D	83.4	Confident	78.2	Confident	47 Å²	47	77.7 Å²	77.7	25%	0.251	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-76	117.9	173.2	178.8	-9.7	0	0	0	109.7	L553 R557 F558 Q574	L553-D555 PolarHBondContact O-N 2.93Å; D555-R557 PolarHBondContact O-N 3.05Å; D555-R557 VanDerWaalsContact O-N 3.15Å; D555-R557 VanDerWaalsContact OD1-CB 3.27Å; D555-R557 WeakPolarHBondContact OD1-CB 2.99Å; D555-R557 VanDerWaalsContact OD1-CG 3.3Å; D555-R557 WeakPolarHBondContact OD1-CG 3.34Å; D555-R557 PolarHBondContact OD1-N 3.23Å; D555-R557 IonicContact OD1-NE 3.33Å; D555-R557 PolarHBondContact OD1-NE 3.46Å; D555-R557 IonicContact OD2-CZ 3.49Å; D555-R557 IonicContact OD2-NE 2.75Å; D555-R557 PolarHBondContact OD2-NE 2.91Å; D555-R557 IonicContact OD2-NH2 3.39Å; D555-R557 PolarHBondContact OD2-NH2 3.41Å; D555-F558 HydrophobicContact CB-CD2 3.88Å; D555-F558 HydrophobicContact CB-CE2 4.25Å; D555-F558 PolarHBondContact O-N 3.24Å; D555-F558 VanDerWaalsContact O-N 3.17Å; D555-F558 WeakPolarHBondContact OD2-CE2 3.28Å; D555-Q574 PolarHBondContact O-NE2 2.92Å
556	E	76.4	Confident	77.5	Confident	138 Å²	138	79.7 Å²	79.7	65%	0.645	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-60	-24.7	-177.3	-66	-171.6	179.3	0	0	113.2	P554 F558 T559	P554-E556 PolarHBondContact O-N 2.79Å; E556-F558 PolarHBondContact O-N 3.01Å; E556-T559 VanDerWaalsContact CA-OG1 3.29Å; E556-T559 WeakPolarHBondContact CA-OG1 3.42Å; E556-T559 PolarHBondContact O-N 3.42Å; E556-T559 PolarHBondContact O-OG1 2.86Å
557	R	75.3	Confident	77.2	Confident	202 Å²	202	78.4 Å²	78.4	76%	0.762	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62	-28	178.9	-64.7	180	-65.8	178.4	0.9	112.8	D555	D555-R557 PolarHBondContact O-N 3.05Å; D555-R557 VanDerWaalsContact O-N 3.15Å; D555-R557 VanDerWaalsContact OD1-CB 3.27Å; D555-R557 WeakPolarHBondContact OD1-CB 2.99Å; D555-R557 VanDerWaalsContact OD1-CG 3.3Å; D555-R557 WeakPolarHBondContact OD1-CG 3.34Å; D555-R557 PolarHBondContact OD1-N 3.23Å; D555-R557 IonicContact OD1-NE 3.33Å; D555-R557 PolarHBondContact OD1-NE 3.46Å; D555-R557 IonicContact OD2-CZ 3.49Å; D555-R557 IonicContact OD2-NE 2.75Å; D555-R557 PolarHBondContact OD2-NE 2.91Å; D555-R557 IonicContact OD2-NH2 3.39Å; D555-R557 PolarHBondContact OD2-NH2 3.41Å
558	F	70.2	Confident	77	Confident	69 Å²	69	78.1 Å²	78.1	30%	0.303	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-96.3	-5.8	177.4	-56.4	-68.8	0	0	0	112.7	D555 E556 Q574 P575 Q659	D555-F558 HydrophobicContact CB-CD2 3.88Å; D555-F558 HydrophobicContact CB-CE2 4.25Å; D555-F558 PolarHBondContact O-N 3.24Å; D555-F558 VanDerWaalsContact O-N 3.17Å; D555-F558 WeakPolarHBondContact OD2-CE2 3.28Å; E556-F558 PolarHBondContact O-N 3.01Å; F558-Q574 HydrophobicContact CB-CG 3.97Å; F558-Q574 HydrophobicContact CD2-CG 4.16Å; F558-Q574 HydrophobicContact CG-CG 4.33Å; F558-P575 HydrophobicContact CE1-CG 4.25Å; F558-P575 HydrophobicContact CE2-CG 4.09Å; F558-P575 HydrophobicContact CZ-CG 3.79Å; F558-Q659 VanDerWaalsContact CD1-CD 3.48Å; F558-Q659 HydrophobicContact CD1-CG 3.66Å; F558-Q659 HydrophobicContact CE1-CG 3.86Å
559	T	67.7	Low	76.8	Confident	48 Å²	48	74.3 Å²	74.3	29%	0.294	38%	0.38	S	S	.	.	S	Bend	trans	-88.1	122.3	176.1	63.5	0	0	0	0	110.3	E556 K561 V571	E556-T559 VanDerWaalsContact CA-OG1 3.29Å; E556-T559 WeakPolarHBondContact CA-OG1 3.42Å; E556-T559 PolarHBondContact O-N 3.42Å; E556-T559 PolarHBondContact O-OG1 2.86Å; T559-K561 PolarHBondContact O-N 2.94Å; T559-V571 HydrophobicContact CG2-CG2 3.95Å
560	L	65.7	Low	76.7	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	38%	0.381	S	S	.	.			trans	-70.2	117.7	169	-71.1	165.9	0	0	0	108.2	Y562 R664 H667 E668	L560-Y562 HydrophobicContact CB-CD2 3.74Å; L560-Y562 HydrophobicContact CB-CE2 3.68Å; L560-Y562 HydrophobicContact CD1-CE2 4.11Å; L560-Y562 HydrophobicContact CG-CE2 4.4Å; L560-Y562 PolarHBondContact O-N 3.33Å; L560-R664 HydrophobicContact CD1-CG 4.37Å; L560-H667 HydrophobicContact CD1-CB 4.02Å; L560-E668 HydrophobicContact CD1-CG 4.04Å
561	K	59.4	Low	76.6	Confident	185 Å²	185	71.8 Å²	71.8	80%	0.804	37%	0.369	S	S	*	.			trans	-68.9	94.7	174.8	-67.6	-176.1	178.6	-176.4	0	109.6	T559	T559-K561 PolarHBondContact O-N 2.94Å
562	Y	58.8	Low	76.6	Confident	94 Å²	94	71.5 Å²	71.5	37%	0.369	37%	0.367	S	S	.	.			trans	-103.9	161.6	170.7	-85.8	-81	0	0	0	111.6	L560 S564 E668	L560-Y562 HydrophobicContact CB-CD2 3.74Å; L560-Y562 HydrophobicContact CB-CE2 3.68Å; L560-Y562 HydrophobicContact CD1-CE2 4.11Å; L560-Y562 HydrophobicContact CG-CE2 4.4Å; L560-Y562 PolarHBondContact O-N 3.33Å; Y562-S564 PolarHBondContact O-N 3.26Å; Y562-S564 VanDerWaalsContact O-N 3.1Å; Y562-E668 HydrophobicContact CE2-CG 4.12Å; Y562-E668 WeakPolarHBondContact OH-CG 3.32Å; Y562-E668 PolarHBondContact OH-OE1 3.26Å
563	S	53.9	Low	76.6	Confident	124 Å²	124	71 Å²	71	87%	0.867	36%	0.364	S	S	*	.	S	Bend	trans	-63.8	-9.6	178.8	-174.4	0	0	0	0	114.3
564	S	55.6	Low	76.7	Confident	57 Å²	57	66.5 Å²	66.5	40%	0.399	34%	0.34	S	S	.	.			trans	-79.9	121.8	176.6	52.7	0	0	0	0	110.3	Y562 S566	Y562-S564 PolarHBondContact O-N 3.26Å; Y562-S564 VanDerWaalsContact O-N 3.1Å; S564-S566 PolarHBondContact O-N 3.09Å
565	N	65.7	Low	76.9	Confident	158 Å²	158	66.2 Å²	66.2	85%	0.845	34%	0.338	S	S	*	.	S	Bend	trans	-66.6	17.7	173.8	-75.6	-18.4	0	0	0	114.3
566	S	74.2	Confident	77.2	Confident	56 Å²	56	64.7 Å²	64.7	39%	0.392	33%	0.33	S	S	.	.	S	Bend	trans	-107.8	135.8	-178.4	53.5	0	0	0	0	111.3	S564	S564-S566 PolarHBondContact O-N 3.09Å
567	I	82.5	Confident	77.8	Confident	71 Å²	71	66.5 Å²	66.5	36%	0.364	34%	0.338	S	S	.	.			trans	-70.9	129.8	173.2	-62.3	174.5	0	0	0	108.1	E530 V571 N674	E530-I567 HydrophobicContact CB-CG2 4.4Å; E530-I567 HydrophobicContact CG-CG2 4.33Å; I567-V571 HydrophobicContact CG2-CB 4.39Å; I567-V571 HydrophobicContact CG2-CG2 3.89Å; I567-N674 PolarHBondContact O-OD1 3.44Å
568	S	87	Confident	78.7	Confident	19 Å²	19	59.8 Å²	59.8	13%	0.133	32%	0.315	C	S	.	.			trans	-64.2	136.8	178	173.8	0	0	0	0	111.4	S570 V571 N671	S568-S570 PolarHBondContact O-N 3.16Å; S568-S570 VanDerWaalsContact O-N 3.11Å; S568-S570 WeakPolarHBondContact OG-CB 3.22Å; S568-S570 PolarHBondContact OG-N 2.79Å; S568-V571 WeakPolarHBondContact O-CB 3.49Å; S568-V571 VanDerWaalsContact O-CG2 3.27Å; S568-V571 WeakPolarHBondContact O-CG2 3.48Å; S568-V571 PolarHBondContact O-N 2.92Å; S568-N671 WeakPolarHBondContact CB-OD1 3.4Å; S568-N671 PolarHBondContact OG-OD1 3.33Å
569	P	89.3	Confident	79.8	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.032	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.3	-14.1	175.9	29.5	-37.9	0	0	0	113.1	V571 R572 V670 N674 E677	P569-V571 PolarHBondContact O-N 3.33Å; P569-R572 WeakPolarHBondContact O-CG 3.16Å; P569-V670 HydrophobicContact CG-CG1 4.08Å; P569-N674 VanDerWaalsContact CD-OD1 3.28Å; P569-N674 WeakPolarHBondContact CD-OD1 3.25Å; P569-E677 HydrophobicContact CB-CB 4.43Å; P569-E677 HydrophobicContact CB-CG 3.91Å; P569-E677 HydrophobicContact CG-CB 4.27Å; P569-E677 HydrophobicContact CG-CG 4.26Å
570	S	91.4	Very high	81	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.6	-17.2	175.4	-70.9	0	0	0	0	113.7	S568 R572 F573 Y658 V670	S568-S570 PolarHBondContact O-N 3.16Å; S568-S570 VanDerWaalsContact O-N 3.11Å; S568-S570 WeakPolarHBondContact OG-CB 3.22Å; S568-S570 PolarHBondContact OG-N 2.79Å; S570-R572 PolarHBondContact O-N 3.1Å; S570-R572 VanDerWaalsContact O-N 3.15Å; S570-F573 PolarHBondContact O-N 3.44Å; S570-Y658 PolarHBondContact OG-OH 3.15Å; S570-V670 WeakPolarHBondContact OG-CG1 3.08Å
571	V	91	Very high	82.5	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.03	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.8	-33.5	-178.6	158.6	0	0	0	0	112.5	V528 P554 T559 I567 S568 P569 F573 Q574 F576	V528-V571 HydrophobicContact CG1-CG1 3.99Å; P554-V571 HydrophobicContact CB-CB 4.43Å; P554-V571 HydrophobicContact CB-CG1 3.38Å; P554-V571 HydrophobicContact CB-CG2 4.17Å; P554-V571 HydrophobicContact CG-CG1 3.37Å; T559-V571 HydrophobicContact CG2-CG2 3.95Å; I567-V571 HydrophobicContact CG2-CB 4.39Å; I567-V571 HydrophobicContact CG2-CG2 3.89Å; S568-V571 WeakPolarHBondContact O-CB 3.49Å; S568-V571 VanDerWaalsContact O-CG2 3.27Å; S568-V571 WeakPolarHBondContact O-CG2 3.48Å; S568-V571 PolarHBondContact O-N 2.92Å; P569-V571 PolarHBondContact O-N 3.33Å; V571-F573 PolarHBondContact O-N 3.16Å; V571-Q574 WeakPolarHBondContact O-CB 3.47Å; V571-Q574 VanDerWaalsContact O-CG 3.24Å; V571-Q574 WeakPolarHBondContact O-CG 3.43Å; V571-Q574 PolarHBondContact O-N 2.79Å; V571-Q574 VanDerWaalsContact O-N 3.08Å; V571-F576 WeakPolarHBondContact O-CZ 3.31Å
572	R	92.5	Very high	84.1	Confident	12 Å²	12	47.4 Å²	47.4	5%	0.045	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.7	-10.4	175.2	74.9	-170.5	178.8	140.2	-9.2	114.7	L494 P496 P569 S570 F576 L645 H655 E677	L494-R572 VanDerWaalsContact CD2-O 3.31Å; L494-R572 WeakPolarHBondContact CD2-O 3.48Å; P496-R572 HydrophobicContact CB-CB 4.41Å; P569-R572 WeakPolarHBondContact O-CG 3.16Å; S570-R572 PolarHBondContact O-N 3.1Å; S570-R572 VanDerWaalsContact O-N 3.15Å; R572-F576 WeakPolarHBondContact O-CE2 3.43Å; R572-L645 PolarHBondContact NH1-O 3.24Å; R572-H655 PolarHBondContact O-CE1 3.5Å; R572-E677 IonicContact CZ-OE1 3.79Å; R572-E677 IonicContact NE-OE1 3.21Å; R572-E677 IonicContact NH2-OE1 3.41Å; R572-E677 PolarHBondContact NH2-OE1 3.01Å
573	F	93.4	Very high	86	Confident	1 Å²	1	43 Å²	43	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-104.7	10.8	176.7	-51.8	-49	0	0	0	113.5	S570 V571 L645 H655 Y658 E677 F681	S570-F573 PolarHBondContact O-N 3.44Å; V571-F573 PolarHBondContact O-N 3.16Å; F573-L645 HydrophobicContact CE1-CD1 3.59Å; F573-L645 HydrophobicContact CE2-CD1 4.49Å; F573-L645 HydrophobicContact CZ-CD1 3.37Å; F573-H655 WeakPolarHBondContact O-CA 3.5Å; F573-H655 WeakPolarHBondContact O-CB 3.17Å; F573-H655 PolarHBondContact O-ND1 3.26Å; F573-Y658 HydrophobicContact CB-CD1 3.73Å; F573-Y658 HydrophobicContact CB-CE1 4.1Å; F573-Y658 HydrophobicContact CB-CG 3.95Å; F573-Y658 HydrophobicContact CD2-CD1 4.27Å; F573-Y658 HydrophobicContact CD2-CD2 4.2Å; F573-Y658 AromaticContact CD2-CE1 3.91Å; F573-Y658 HydrophobicContact CD2-CE1 3.91Å; F573-Y658 AromaticContact CD2-CE2 3.83Å; F573-Y658 HydrophobicContact CD2-CE2 3.83Å; F573-Y658 HydrophobicContact CD2-CG 4.4Å; F573-Y658 AromaticContact CD2-CZ 3.67Å; F573-Y658 HydrophobicContact CE2-CE2 4.34Å; F573-Y658 HydrophobicContact CG-CD1 4.44Å; F573-Y658 HydrophobicContact CG-CE1 4.5Å; F573-Y658 HydrophobicContact CG-CG 4.48Å; F573-E677 HydrophobicContact CE2-CB 3.87Å; F573-E677 HydrophobicContact CE2-CG 3.65Å; F573-E677 HydrophobicContact CZ-CG 4.16Å; F573-F681 HydrophobicContact CB-CD2 4.45Å; F573-F681 HydrophobicContact CB-CE2 4.27Å; F573-F681 AromaticContact CD1-CD2 3.67Å; F573-F681 HydrophobicContact CD1-CD2 3.67Å; F573-F681 AromaticContact CD1-CE2 3.56Å; F573-F681 HydrophobicContact CD1-CE2 3.56Å; F573-F681 HydrophobicContact CD1-CG 4.47Å; F573-F681 HydrophobicContact CD1-CZ 4.26Å; F573-F681 AromaticContact CD2-CD2 3.92Å; F573-F681 HydrophobicContact CD2-CD2 3.92Å; F573-F681 HydrophobicContact CD2-CE2 4.5Å; F573-F681 AromaticContact CE1-CD2 3.81Å; F573-F681 HydrophobicContact CE1-CD2 3.81Å; F573-F681 HydrophobicContact CE1-CE2 4Å; F573-F681 HydrophobicContact CE1-CG 4.17Å; F573-F681 HydrophobicContact CE1-CZ 4.48Å; F573-F681 HydrophobicContact CE2-CB 4.21Å; F573-F681 HydrophobicContact CE2-CD2 4.02Å; F573-F681 HydrophobicContact CE2-CG 4.4Å; F573-F681 AromaticContact CG-CD2 3.75Å; F573-F681 HydrophobicContact CG-CD2 3.75Å; F573-F681 AromaticContact CG-CE2 3.86Å; F573-F681 HydrophobicContact CG-CE2 3.86Å; F573-F681 HydrophobicContact CZ-CB 4.15Å; F573-F681 AromaticContact CZ-CD2 3.98Å; F573-F681 HydrophobicContact CZ-CD2 3.98Å; F573-F681 HydrophobicContact CZ-CG 4.13Å
574	Q	91.6	Very high	88.1	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.042	21%	0.205	C	C	.	.	S	Bend	trans	-59.3	148.4	172	-74.2	177.6	-4.4	0	0	111.1	D555 F558 V571 F576 H655	D555-Q574 PolarHBondContact O-NE2 2.92Å; F558-Q574 HydrophobicContact CB-CG 3.97Å; F558-Q574 HydrophobicContact CD2-CG 4.16Å; F558-Q574 HydrophobicContact CG-CG 4.33Å; V571-Q574 WeakPolarHBondContact O-CB 3.47Å; V571-Q574 VanDerWaalsContact O-CG 3.24Å; V571-Q574 WeakPolarHBondContact O-CG 3.43Å; V571-Q574 PolarHBondContact O-N 2.79Å; V571-Q574 VanDerWaalsContact O-N 3.08Å; Q574-F576 HydrophobicContact CB-CD1 4.38Å; Q574-F576 HydrophobicContact CB-CE1 3.88Å; Q574-F576 HydrophobicContact CB-CE2 4.26Å; Q574-F576 HydrophobicContact CB-CZ 3.82Å; Q574-F576 WeakPolarHBondContact O-CD2 3.36Å; Q574-F576 PolarHBondContact O-N 3.37Å; Q574-H655 PolarHBondContact O-ND1 3.23Å
575	P	89.5	Confident	90.1	Very high	21 Å²	21	34.4 Å²	34.4	14%	0.136	19%	0.186	C	C	.	.			trans	-73.6	74	179.7	31.7	-36.5	0	0	0	112.1	F558 H577 H656	F558-P575 HydrophobicContact CE1-CG 4.25Å; F558-P575 HydrophobicContact CE2-CG 4.09Å; F558-P575 HydrophobicContact CZ-CG 3.79Å; P575-H577 PolarHBondContact O-N 3.4Å; P575-H656 WeakPolarHBondContact CB-CE1 3.41Å; P575-H656 WeakPolarHBondContact CB-ND1 3.46Å
576	F	89.9	Confident	91.6	Very high	16 Å²	16	27 Å²	27	7%	0.07	15%	0.147	C	C	.	.			trans	-63.7	117.4	179.9	-59	-63.1	0	0	0	111.4	L494 V528 V552 V571 R572 Q574 E578 I579 H655	L494-F576 HydrophobicContact CD1-CD2 4.32Å; L494-F576 HydrophobicContact CD1-CE2 4.25Å; L494-F576 HydrophobicContact CD2-CE2 4.39Å; V528-F576 HydrophobicContact CG1-CZ 4.18Å; V528-F576 HydrophobicContact CG2-CE2 4.04Å; V528-F576 HydrophobicContact CG2-CZ 3.94Å; V552-F576 HydrophobicContact CG1-CD1 3.79Å; V552-F576 HydrophobicContact CG1-CE1 3.78Å; V571-F576 WeakPolarHBondContact O-CZ 3.31Å; R572-F576 WeakPolarHBondContact O-CE2 3.43Å; Q574-F576 HydrophobicContact CB-CD1 4.38Å; Q574-F576 HydrophobicContact CB-CE1 3.88Å; Q574-F576 HydrophobicContact CB-CE2 4.26Å; Q574-F576 HydrophobicContact CB-CZ 3.82Å; Q574-F576 WeakPolarHBondContact O-CD2 3.36Å; Q574-F576 PolarHBondContact O-N 3.37Å; F576-E578 WeakPolarHBondContact CA-OE2 3.44Å; F576-E578 WeakPolarHBondContact CB-OE2 3.46Å; F576-E578 PolarHBondContact O-N 2.87Å; F576-I579 HydrophobicContact CB-CD1 3.91Å; F576-I579 HydrophobicContact CB-CG1 3.97Å; F576-I579 HydrophobicContact CD2-CD1 4.1Å; F576-I579 PolarHBondContact O-N 2.96Å; F576-H655 AromaticContact CD2-ND1 3.99Å
577	H	89.7	Confident	92.5	Very high	175 Å²	175	24.3 Å²	24.3	81%	0.81	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.7	174.6	-68.2	-69.2	0	0	0	112	P575 I579	P575-H577 PolarHBondContact O-N 3.4Å; H577-I579 VanDerWaalsContact C-N 3.26Å; H577-I579 PolarHBondContact O-N 3.46Å
578	E	92.9	Very high	92.8	Very high	62 Å²	62	22.3 Å²	22.3	29%	0.29	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.6	-178.9	-61	80.1	-176.6	0	0	113.1	K524 I526 V552 F576 P580	K524-E578 WeakPolarHBondContact CD-O 3.5Å; K524-E578 WeakPolarHBondContact CE-O 3.17Å; K524-E578 PolarHBondContact NZ-O 3.44Å; I526-E578 HydrophobicContact CD1-CB 3.89Å; V552-E578 HydrophobicContact CG2-CB 4.45Å; V552-E578 HydrophobicContact CG2-CG 4.04Å; F576-E578 WeakPolarHBondContact CA-OE2 3.44Å; F576-E578 WeakPolarHBondContact CB-OE2 3.46Å; F576-E578 PolarHBondContact O-N 2.87Å; E578-P580 WeakPolarHBondContact O-CD 3.18Å
579	I	94.5	Very high	92.9	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	12%	0.115	C	C	.	.			trans	-83.2	106	177.6	-62.2	171.6	0	0	0	109.1	T492 I526 F576 H577 T581 V584 R652	T492-I579 HydrophobicContact CG2-CG1 4.35Å; T492-I579 HydrophobicContact CG2-CG2 4.3Å; I526-I579 HydrophobicContact CD1-CB 4.43Å; I526-I579 HydrophobicContact CD1-CG1 3.53Å; F576-I579 HydrophobicContact CB-CD1 3.91Å; F576-I579 HydrophobicContact CB-CG1 3.97Å; F576-I579 HydrophobicContact CD2-CD1 4.1Å; F576-I579 PolarHBondContact O-N 2.96Å; H577-I579 VanDerWaalsContact C-N 3.26Å; H577-I579 PolarHBondContact O-N 3.46Å; I579-T581 WeakPolarHBondContact CG2-O 3.46Å; I579-V584 HydrophobicContact CD1-CG2 4.11Å; I579-V584 HydrophobicContact CG2-CG2 3.86Å; I579-R652 HydrophobicContact CB-CG 4.43Å; I579-R652 HydrophobicContact CG2-CG 4.06Å; I579-R652 PolarHBondContact O-NH1 3.12Å
580	P	93.3	Very high	92.5	Very high	82 Å²	82	25.6 Å²	25.6	53%	0.532	14%	0.136	S	C	.	.			trans	-78.9	-26	-179.6	31.5	-37.7	0	0	0	113.8	T492 K524 E578 R652	T492-P580 WeakPolarHBondContact OG1-CD 3.2Å; K524-P580 HydrophobicContact CB-CG 4.39Å; K524-P580 HydrophobicContact CD-CG 4.25Å; E578-P580 WeakPolarHBondContact O-CD 3.18Å; P580-R652 PolarHBondContact O-NH1 2.95Å
581	T	95.6	Very high	92.2	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	-95.1	156.1	-172.1	56.4	0	0	0	0	113	G490 F491 T492 R523 I579 A583	G490-T581 WeakPolarHBondContact O-CB 3.39Å; F491-T581 WeakPolarHBondContact CA-OG1 3.39Å; T492-T581 WeakPolarHBondContact CB-OG1 3.1Å; T492-T581 PolarHBondContact N-OG1 2.84Å; T492-T581 PolarHBondContact OG1-OG1 3.31Å; R523-T581 HydrophobicContact CB-CG2 4.04Å; R523-T581 HydrophobicContact CG-CG2 4.02Å; I579-T581 WeakPolarHBondContact CG2-O 3.46Å; T581-A583 PolarHBondContact OG1-O 3.26Å
582	L	94.8	Very high	91.9	Very high	7 Å²	7	30 Å²	30	4%	0.037	16%	0.159	C	C	.	.	S	Bend	trans	-68.8	-40.2	171.2	-63	-177.9	0	0	0	111.7	C472 E486 I487 W605 H651 R652	C472-L582 VanDerWaalsContact O-CD1 3.25Å; C472-L582 WeakPolarHBondContact O-CD1 3.33Å; E486-L582 HydrophobicContact CB-CD1 3.76Å; E486-L582 HydrophobicContact CB-CG 4.46Å; I487-L582 HydrophobicContact CG1-CD1 4.18Å; L582-W605 HydrophobicContact CB-CH2 4.3Å; L582-H651 CarbonylContact O-C 3.48Å; L582-H651 WeakPolarHBondContact O-CA 3.27Å; L582-R652 WeakPolarHBondContact O-CB 3.41Å; L582-R652 PolarHBondContact O-N 3.17Å
583	A	97.3	Very high	91.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.1	178.3	0	0	0	0	0	110.7	F491 T492 T581 Y602 W605	F491-A583 WeakPolarHBondContact CA-O 3.37Å; F491-A583 HydrophobicContact CB-CB 3.66Å; T492-A583 PolarHBondContact N-O 3.33Å; T581-A583 PolarHBondContact OG1-O 3.26Å; A583-Y602 HydrophobicContact CB-CD2 4.24Å; A583-Y602 HydrophobicContact CB-CE2 3.76Å; A583-W605 HydrophobicContact CB-CD2 4.34Å; A583-W605 HydrophobicContact CB-CE3 3.75Å; A583-W605 HydrophobicContact CB-CH2 3.67Å; A583-W605 HydrophobicContact CB-CZ2 4.25Å; A583-W605 HydrophobicContact CB-CZ3 3.4Å; A583-W605 VanDerWaalsContact CB-CZ3 3.4Å
584	V	97.9	Very high	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	170.3	-177	0	0	0	0	108.4	T492 L494 I579 F649 Y650 R652	T492-V584 WeakPolarHBondContact O-CA 3.38Å; L494-V584 HydrophobicContact CB-CG1 3.9Å; L494-V584 HydrophobicContact CD2-CG1 4.26Å; I579-V584 HydrophobicContact CD1-CG2 4.11Å; I579-V584 HydrophobicContact CG2-CG2 3.86Å; V584-F649 VanDerWaalsContact O-CA 3.32Å; V584-F649 WeakPolarHBondContact O-CA 3.4Å; V584-Y650 HydrophobicContact CB-CD2 4.15Å; V584-Y650 HydrophobicContact CB-CE2 3.62Å; V584-Y650 HydrophobicContact CG1-CE1 4.38Å; V584-Y650 HydrophobicContact CG1-CE2 3.85Å; V584-Y650 WeakPolarHBondContact CG1-OH 3.4Å; V584-Y650 HydrophobicContact CG2-CE2 4.21Å; V584-Y650 PolarHBondContact N-O 3.19Å; V584-Y650 PolarHBondContact O-N 2.74Å; V584-R652 HydrophobicContact CG2-CB 3.91Å; V584-R652 HydrophobicContact CG2-CG 4.47Å
585	F	97.7	Very high	91.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	103.5	172.4	-175.1	-121.4	0	0	0	109.4	F491 T492 M493 L494 Y587 I593 L598 F615 A648 F649	F491-F585 HydrophobicContact CD2-CB 3.83Å; F491-F585 HydrophobicContact CE2-CB 4.14Å; F491-F585 HydrophobicContact CE2-CD1 4.49Å; T492-F585 PolarHBondContact O-N 3.32Å; M493-F585 HydrophobicContact CE-CD1 3.87Å; M493-F585 HydrophobicContact CE-CE1 4.16Å; M493-F585 HydrophobicContact CG-CD1 4.08Å; L494-F585 PolarHBondContact N-O 2.74Å; F585-Y587 HydrophobicContact CD1-CD2 4.3Å; F585-Y587 HydrophobicContact CD1-CG 4.37Å; F585-Y587 AromaticContact CE1-CD2 3.29Å; F585-Y587 HydrophobicContact CE1-CD2 3.29Å; F585-Y587 HydrophobicContact CE1-CE2 4.14Å; F585-Y587 AromaticContact CE1-CG 3.76Å; F585-Y587 HydrophobicContact CE1-CG 3.76Å; F585-Y587 AromaticContact CZ-CD2 3.67Å; F585-Y587 HydrophobicContact CZ-CD2 3.67Å; F585-Y587 HydrophobicContact CZ-CE2 4.42Å; F585-Y587 HydrophobicContact CZ-CG 4.48Å; F585-Y587 PolarHBondContact O-N 3.34Å; F585-I593 HydrophobicContact CE1-CD1 4.24Å; F585-I593 HydrophobicContact CZ-CD1 3.75Å; F585-L598 HydrophobicContact CD1-CD1 3.7Å; F585-L598 HydrophobicContact CD2-CD1 4.14Å; F585-L598 HydrophobicContact CE1-CD1 3.41Å; F585-L598 VanDerWaalsContact CE1-CD1 3.41Å; F585-L598 HydrophobicContact CE2-CD1 3.9Å; F585-L598 HydrophobicContact CG-CD1 4.05Å; F585-L598 HydrophobicContact CZ-CD1 3.54Å; F585-F615 HydrophobicContact CE2-CE2 4.11Å; F585-F615 HydrophobicContact CZ-CE2 4.15Å; F585-A648 CarbonylContact C-O 3.37Å; F585-A648 WeakPolarHBondContact CA-O 3.47Å; F585-F649 HydrophobicContact CB-CD1 3.94Å; F585-F649 HydrophobicContact CB-CE1 3.57Å; F585-F649 HydrophobicContact CB-CZ 3.91Å; F585-F649 HydrophobicContact CD2-CD1 4.06Å; F585-F649 AromaticContact CD2-CD2 3.59Å; F585-F649 HydrophobicContact CD2-CD2 3.59Å; F585-F649 AromaticContact CD2-CE1 3.89Å; F585-F649 HydrophobicContact CD2-CE1 3.89Å; F585-F649 AromaticContact CD2-CE2 3.38Å; F585-F649 HydrophobicContact CD2-CE2 3.38Å; F585-F649 AromaticContact CD2-CG 3.92Å; F585-F649 HydrophobicContact CD2-CG 3.92Å; F585-F649 AromaticContact CD2-CZ 3.53Å; F585-F649 HydrophobicContact CD2-CZ 3.53Å; F585-F649 HydrophobicContact CE2-CD2 4.04Å; F585-F649 AromaticContact CE2-CE2 3.74Å; F585-F649 HydrophobicContact CE2-CE2 3.74Å; F585-F649 HydrophobicContact CE2-CZ 4.24Å; F585-F649 HydrophobicContact CG-CD1 4.42Å; F585-F649 AromaticContact CG-CE1 3.98Å; F585-F649 HydrophobicContact CG-CE1 3.98Å; F585-F649 HydrophobicContact CG-CE2 4.13Å; F585-F649 AromaticContact CG-CZ 3.79Å; F585-F649 HydrophobicContact CG-CZ 3.79Å
586	A	96.8	Very high	91.6	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.8	171.5	0	0	0	0	0	109.7	L645 N646 G647 A648 Y650	A586-L645 HydrophobicContact CB-CB 4.22Å; A586-N646 CarbonylContact O-C 3.58Å; A586-G647 VanDerWaalsContact O-CA 3.26Å; A586-G647 WeakPolarHBondContact O-CA 3.47Å; A586-G647 PolarHBondContact O-N 3.4Å; A586-A648 PolarHBondContact N-O 2.99Å; A586-A648 PolarHBondContact O-N 3.36Å; A586-Y650 HydrophobicContact CB-CE1 3.64Å
587	Y	94.3	Very high	91.6	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.1	-170.9	-173.5	-104.5	0	0	0	112.4	M493 L494 I495 P496 L512 L516 F585 L591 I593 N646	M493-Y587 HydrophobicContact SD-CD1 4.31Å; M493-Y587 HydrophobicContact SD-CG 4.46Å; L494-Y587 PolarHBondContact O-N 2.77Å; I495-Y587 HydrophobicContact CD1-CD1 4.36Å; I495-Y587 HydrophobicContact CG1-CD1 4.4Å; P496-Y587 WeakPolarHBondContact CD-O 3.4Å; L512-Y587 HydrophobicContact CD1-CE1 3.71Å; L512-Y587 WeakPolarHBondContact CD2-OH 3.31Å; L516-Y587 HydrophobicContact CD1-CE1 4.31Å; L516-Y587 HydrophobicContact CD1-CE2 3.89Å; L516-Y587 WeakPolarHBondContact CD1-OH 3.47Å; F585-Y587 HydrophobicContact CD1-CD2 4.3Å; F585-Y587 HydrophobicContact CD1-CG 4.37Å; F585-Y587 AromaticContact CE1-CD2 3.29Å; F585-Y587 HydrophobicContact CE1-CD2 3.29Å; F585-Y587 HydrophobicContact CE1-CE2 4.14Å; F585-Y587 AromaticContact CE1-CG 3.76Å; F585-Y587 HydrophobicContact CE1-CG 3.76Å; F585-Y587 AromaticContact CZ-CD2 3.67Å; F585-Y587 HydrophobicContact CZ-CD2 3.67Å; F585-Y587 HydrophobicContact CZ-CE2 4.42Å; F585-Y587 HydrophobicContact CZ-CG 4.48Å; F585-Y587 PolarHBondContact O-N 3.34Å; Y587-L591 HydrophobicContact CD2-CD2 4.11Å; Y587-L591 HydrophobicContact CE2-CB 3.91Å; Y587-L591 HydrophobicContact CE2-CD2 3.85Å; Y587-L591 HydrophobicContact CE2-CG 4.07Å; Y587-L591 PolarHBondContact OH-O 3.35Å; Y587-I593 HydrophobicContact CD2-CD1 4.42Å; Y587-I593 HydrophobicContact CE2-CD1 3.88Å; Y587-I593 HydrophobicContact CE2-CG1 3.98Å; Y587-N646 CarbonylContact C-O 3.51Å; Y587-N646 WeakPolarHBondContact CA-O 3.42Å
588	S	89.7	Confident	91.8	Very high	29 Å²	29	30.3 Å²	30.3	20%	0.203	17%	0.165	C	C	.	.			trans	-99.6	135.9	170.9	179.9	0	0	0	0	110.5	N590 L591 N646	S588-N590 PolarHBondContact O-N 2.92Å; S588-N590 PolarHBondContact OG-N 3.34Å; S588-L591 WeakPolarHBondContact O-CB 3.42Å; S588-L591 PolarHBondContact O-N 3.34Å; S588-N646 PolarHBondContact N-O 3.23Å
589	L	88.1	Confident	91.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.5	175.9	-64.9	179.5	0	0	0	114.1	I495 I497 L501 R508 L509 L512	I495-L589 HydrophobicContact CD1-CD2 4.25Å; I495-L589 HydrophobicContact CG2-CD1 4.3Å; I495-L589 HydrophobicContact CG2-CD2 3.82Å; I495-L589 HydrophobicContact CG2-CG 3.72Å; I497-L589 HydrophobicContact CD1-CD1 3.75Å; L501-L589 HydrophobicContact CD1-CB 4.14Å; L501-L589 HydrophobicContact CD1-CD1 4.3Å; L501-L589 HydrophobicContact CD1-CG 4.39Å; L501-L589 HydrophobicContact CD2-CB 4.25Å; R508-L589 HydrophobicContact CB-CB 4.06Å; R508-L589 HydrophobicContact CB-CD1 4.12Å; R508-L589 HydrophobicContact CB-CD2 4.38Å; R508-L589 HydrophobicContact CB-CG 4.43Å; R508-L589 HydrophobicContact CG-CB 4.4Å; L509-L589 HydrophobicContact CD2-CD2 3.93Å; L509-L589 HydrophobicContact CG-CD2 4.46Å; L512-L589 HydrophobicContact CD1-CD2 3.49Å; L512-L589 VanDerWaalsContact CD1-CD2 3.49Å
590	N	81.7	Confident	91.9	Very high	90 Å²	90	30.7 Å²	30.7	48%	0.481	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11	176.7	-66.1	-21.2	0	0	0	113.2	S588	S588-N590 PolarHBondContact O-N 2.92Å; S588-N590 PolarHBondContact OG-N 3.34Å
591	L	85.1	Confident	92	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	14%	0.142	C	C	.	.			trans	-78.4	136.1	177.8	-178.4	61.5	0	0	0	109.8	Y587 S588 I593 F615 N646 G647 I702	Y587-L591 HydrophobicContact CD2-CD2 4.11Å; Y587-L591 HydrophobicContact CE2-CB 3.91Å; Y587-L591 HydrophobicContact CE2-CD2 3.85Å; Y587-L591 HydrophobicContact CE2-CG 4.07Å; Y587-L591 PolarHBondContact OH-O 3.35Å; S588-L591 WeakPolarHBondContact O-CB 3.42Å; S588-L591 PolarHBondContact O-N 3.34Å; L591-I593 HydrophobicContact CD1-CG2 4.23Å; L591-I593 HydrophobicContact CD2-CD1 4.44Å; L591-I593 HydrophobicContact CD2-CG2 4.04Å; L591-I593 HydrophobicContact CG-CG2 3.97Å; L591-F615 HydrophobicContact CD2-CD2 4.39Å; L591-N646 WeakPolarHBondContact CD2-O 3.44Å; L591-G647 VanDerWaalsContact CD2-CA 3.45Å; L591-I702 HydrophobicContact CD1-CB 4.44Å; L591-I702 HydrophobicContact CD1-CD1 3.77Å; L591-I702 HydrophobicContact CD1-CG1 4.46Å; L591-I702 HydrophobicContact CD1-CG2 3.22Å
592	N	84.4	Confident	92	Very high	108 Å²	108	26.5 Å²	26.5	58%	0.578	14%	0.14	S	C	*	.			trans	-113	107.2	172.8	-71.4	-26.3	0	0	0	109.5	I702	N592-I702 VanDerWaalsContact O-CD1 3.28Å; N592-I702 WeakPolarHBondContact O-CD1 3.5Å
593	I	87.6	Confident	92	Very high	13 Å²	13	29.9 Å²	29.9	7%	0.067	16%	0.158	C	C	.	.			trans	-129.7	160.3	174.1	54.6	170.5	0	0	0	109.9	L516 F585 Y587 L591 Q597 L598 F615 I702	L516-I593 HydrophobicContact CD1-CD1 4.29Å; L516-I593 HydrophobicContact CD1-CG1 3.81Å; L516-I593 HydrophobicContact CD2-CG1 4.05Å; L516-I593 WeakPolarHBondContact CD2-O 3.45Å; F585-I593 HydrophobicContact CE1-CD1 4.24Å; F585-I593 HydrophobicContact CZ-CD1 3.75Å; Y587-I593 HydrophobicContact CD2-CD1 4.42Å; Y587-I593 HydrophobicContact CE2-CD1 3.88Å; Y587-I593 HydrophobicContact CE2-CG1 3.98Å; L591-I593 HydrophobicContact CD1-CG2 4.23Å; L591-I593 HydrophobicContact CD2-CD1 4.44Å; L591-I593 HydrophobicContact CD2-CG2 4.04Å; L591-I593 HydrophobicContact CG-CG2 3.97Å; I593-Q597 HydrophobicContact CB-CB 4.48Å; I593-L598 HydrophobicContact CD1-CB 4.29Å; I593-L598 HydrophobicContact CD1-CD1 4.4Å; I593-F615 HydrophobicContact CD1-CD2 4.42Å; I593-F615 HydrophobicContact CD1-CE2 3.71Å; I593-F615 HydrophobicContact CD1-CZ 4.13Å; I593-F615 HydrophobicContact CG2-CD2 4.13Å; I593-F615 HydrophobicContact CG2-CE2 4.23Å; I593-F615 HydrophobicContact CG2-CG 4.31Å; I593-F615 HydrophobicContact CG2-CZ 4.45Å; I593-I702 HydrophobicContact CG2-CD1 3.74Å
594	T	89.6	Confident	91.9	Very high	53 Å²	53	30.3 Å²	30.3	33%	0.325	16%	0.161	S	C	.	.			trans	-90.9	164.7	174.4	82.3	0	0	0	0	111.8	E596 Q597 L598	T594-E596 VanDerWaalsContact C-N 3.26Å; T594-E596 WeakPolarHBondContact CB-OE2 3.44Å; T594-E596 PolarHBondContact O-N 2.85Å; T594-E596 PolarHBondContact OG1-N 3.24Å; T594-E596 PolarHBondContact OG1-OE2 3.03Å; T594-Q597 PolarHBondContact O-N 3.46Å; T594-Q597 PolarHBondContact OG1-N 3.43Å; T594-L598 PolarHBondContact O-N 2.97Å
595	V	91.5	Very high	91.9	Very high	25 Å²	25	30.3 Å²	30.3	15%	0.152	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-37.4	176.3	-179.3	0	0	0	0	110.8	I515 L516 L598 N599	I515-V595 HydrophobicContact CG2-CG2 4.11Å; I515-V595 WeakPolarHBondContact O-CG2 3.46Å; L516-V595 HydrophobicContact CD2-CG2 4.3Å; V595-L598 WeakPolarHBondContact O-CB 3.19Å; V595-L598 PolarHBondContact O-N 3.07Å; V595-N599 WeakPolarHBondContact O-CB 3.23Å; V595-N599 PolarHBondContact O-N 3.36Å; V595-N599 PolarHBondContact O-OD1 2.9Å
596	E	90.5	Very high	91.7	Very high	131 Å²	131	31.8 Å²	31.8	61%	0.612	17%	0.167	S	C	*	.	H	α-helix	trans	-65.6	-41.1	179	-56.3	72.8	-157.6	0	0	110.9	T594 N599 F600	T594-E596 VanDerWaalsContact C-N 3.26Å; T594-E596 WeakPolarHBondContact CB-OE2 3.44Å; T594-E596 PolarHBondContact O-N 2.85Å; T594-E596 PolarHBondContact OG1-N 3.24Å; T594-E596 PolarHBondContact OG1-OE2 3.03Å; E596-N599 PolarHBondContact O-N 3.23Å; E596-F600 VanDerWaalsContact O-CB 3.26Å; E596-F600 WeakPolarHBondContact O-CB 3.23Å; E596-F600 PolarHBondContact O-N 3.12Å
597	Q	91.6	Very high	91.5	Very high	18 Å²	18	38.4 Å²	38.4	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-44	174	-72.8	174.6	-27.7	0	0	111.6	I593 T594 F600 A601 F615 T699	I593-Q597 HydrophobicContact CB-CB 4.48Å; T594-Q597 PolarHBondContact O-N 3.46Å; T594-Q597 PolarHBondContact OG1-N 3.43Å; Q597-F600 PolarHBondContact O-N 3.17Å; Q597-A601 WeakPolarHBondContact O-CB 2.9Å; Q597-A601 PolarHBondContact O-N 3.08Å; Q597-F615 HydrophobicContact CB-CE1 3.96Å; Q597-F615 HydrophobicContact CB-CZ 4.24Å; Q597-F615 WeakPolarHBondContact O-CZ 3.34Å; Q597-T699 PolarHBondContact NE2-OG1 2.99Å
598	L	93.4	Very high	91.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-48.5	176.1	178	59.4	0	0	0	111.5	F491 M493 L516 F585 I593 T594 V595 A601 Y602 F649	F491-L598 HydrophobicContact CE2-CD1 4.4Å; F491-L598 HydrophobicContact CZ-CD1 4.01Å; F491-L598 HydrophobicContact CZ-CD2 3.89Å; F491-L598 HydrophobicContact CZ-CG 3.92Å; M493-L598 HydrophobicContact CE-CD2 4.07Å; L516-L598 HydrophobicContact CB-CD2 4.36Å; L516-L598 HydrophobicContact CD2-CB 4.42Å; L516-L598 HydrophobicContact CD2-CD2 4.14Å; F585-L598 HydrophobicContact CD1-CD1 3.7Å; F585-L598 HydrophobicContact CD2-CD1 4.14Å; F585-L598 HydrophobicContact CE1-CD1 3.41Å; F585-L598 VanDerWaalsContact CE1-CD1 3.41Å; F585-L598 HydrophobicContact CE2-CD1 3.9Å; F585-L598 HydrophobicContact CG-CD1 4.05Å; F585-L598 HydrophobicContact CZ-CD1 3.54Å; I593-L598 HydrophobicContact CD1-CB 4.29Å; I593-L598 HydrophobicContact CD1-CD1 4.4Å; T594-L598 PolarHBondContact O-N 2.97Å; V595-L598 WeakPolarHBondContact O-CB 3.19Å; V595-L598 PolarHBondContact O-N 3.07Å; L598-A601 PolarHBondContact O-N 2.6Å; L598-Y602 PolarHBondContact O-N 2.81Å; L598-F649 HydrophobicContact CD1-CE2 3.91Å; L598-F649 HydrophobicContact CD1-CZ 3.71Å
599	N	94.5	Very high	91.7	Very high	28 Å²	28	40 Å²	40	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-44.8	178	-70.7	-6.8	0	0	0	111.4	S519 F521 V595 E596 A601 Y602 L603	S519-N599 WeakPolarHBondContact CB-OD1 3.45Å; S519-N599 PolarHBondContact OG-OD1 3.47Å; F521-N599 HydrophobicContact CD2-CB 4.25Å; F521-N599 HydrophobicContact CE2-CB 4.1Å; V595-N599 WeakPolarHBondContact O-CB 3.23Å; V595-N599 PolarHBondContact O-N 3.36Å; V595-N599 PolarHBondContact O-OD1 2.9Å; E596-N599 PolarHBondContact O-N 3.23Å; N599-A601 PolarHBondContact O-N 2.75Å; N599-Y602 PolarHBondContact O-N 3.26Å; N599-L603 WeakPolarHBondContact O-CG 3.28Å; N599-L603 PolarHBondContact O-N 2.94Å
600	F	94	Very high	92	Very high	44 Å²	44	40 Å²	40	19%	0.193	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-42.9	176.9	174.3	-106.1	0	0	0	112.3	E596 Q597 Y602 L603 T604 V696 M774 Y775 P776	E596-F600 VanDerWaalsContact O-CB 3.26Å; E596-F600 WeakPolarHBondContact O-CB 3.23Å; E596-F600 PolarHBondContact O-N 3.12Å; Q597-F600 PolarHBondContact O-N 3.17Å; F600-Y602 VanDerWaalsContact C-N 3.33Å; F600-Y602 PolarHBondContact O-N 3.05Å; F600-L603 PolarHBondContact O-N 2.87Å; F600-T604 WeakPolarHBondContact CZ-OG1 3.28Å; F600-T604 WeakPolarHBondContact O-CB 3.39Å; F600-T604 PolarHBondContact O-N 3.24Å; F600-T604 PolarHBondContact O-OG1 2.79Å; F600-V696 HydrophobicContact CD1-CB 4.45Å; F600-V696 HydrophobicContact CD1-CG1 4.36Å; F600-V696 HydrophobicContact CE1-CB 4.17Å; F600-V696 HydrophobicContact CE1-CG1 3.93Å; F600-M774 HydrophobicContact CZ-CB 4.26Å; F600-Y775 WeakPolarHBondContact CZ-O 3.47Å; F600-P776 HydrophobicContact CD2-CB 3.88Å; F600-P776 VanDerWaalsContact CE2-CA 3.42Å; F600-P776 HydrophobicContact CE2-CB 4.01Å; F600-P776 HydrophobicContact CG-CB 4.19Å; F600-P776 HydrophobicContact CZ-CB 4.42Å; F600-P776 VanDerWaalsContact CZ-N 3.25Å
601	A	95.1	Very high	92.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-38.5	177.2	0	0	0	0	0	112.1	Q597 L598 N599 T604 W605 F615 F649 V696	Q597-A601 WeakPolarHBondContact O-CB 2.9Å; Q597-A601 PolarHBondContact O-N 3.08Å; L598-A601 PolarHBondContact O-N 2.6Å; N599-A601 PolarHBondContact O-N 2.75Å; A601-T604 WeakPolarHBondContact O-CB 3.28Å; A601-T604 PolarHBondContact O-N 2.97Å; A601-W605 PolarHBondContact O-N 3.37Å; A601-F615 HydrophobicContact CB-CE1 4.07Å; A601-F615 HydrophobicContact CB-CE2 4.21Å; A601-F615 HydrophobicContact CB-CZ 3.52Å; A601-F649 HydrophobicContact CB-CD2 3.89Å; A601-F649 HydrophobicContact CB-CE2 3.75Å; A601-V696 HydrophobicContact CB-CG2 4Å
602	Y	96.5	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-49.5	173.5	174.3	-113.9	0	0	0	112	I487 G490 F491 F521 A583 L598 N599 F600 T604 W605 Q606 F649	I487-Y602 PolarHBondContact O-OH 2.85Å; G490-Y602 WeakPolarHBondContact CA-OH 3.43Å; G490-Y602 PolarHBondContact N-OH 3.29Å; G490-Y602 PolarHBondContact O-OH 3.23Å; F491-Y602 HydrophobicContact CB-CD2 4.13Å; F491-Y602 HydrophobicContact CB-CE2 4.08Å; F491-Y602 HydrophobicContact CD1-CD1 4.38Å; F491-Y602 AromaticContact CD1-CD2 3.72Å; F491-Y602 HydrophobicContact CD1-CD2 3.72Å; F491-Y602 HydrophobicContact CD1-CE2 4.13Å; F491-Y602 AromaticContact CD1-CG 3.85Å; F491-Y602 HydrophobicContact CD1-CG 3.85Å; F491-Y602 HydrophobicContact CE1-CG 4.35Å; F491-Y602 HydrophobicContact CG-CD2 4.34Å; F521-Y602 HydrophobicContact CB-CD1 3.66Å; F521-Y602 HydrophobicContact CB-CE1 3.62Å; F521-Y602 HydrophobicContact CB-CG 4.4Å; F521-Y602 AromaticContact CD1-CD1 3.95Å; F521-Y602 HydrophobicContact CD1-CD1 3.95Å; F521-Y602 AromaticContact CD1-CE1 3.52Å; F521-Y602 HydrophobicContact CD1-CE1 3.52Å; F521-Y602 AromaticContact CD2-CD1 3.6Å; F521-Y602 HydrophobicContact CD2-CD1 3.6Å; F521-Y602 HydrophobicContact CD2-CE1 4.07Å; F521-Y602 HydrophobicContact CE1-CE1 4.19Å; F521-Y602 HydrophobicContact CE2-CD1 4.22Å; F521-Y602 AromaticContact CG-CD1 3.45Å; F521-Y602 HydrophobicContact CG-CD1 3.45Å; F521-Y602 VanDerWaalsContact CG-CD1 3.45Å; F521-Y602 AromaticContact CG-CE1 3.45Å; F521-Y602 HydrophobicContact CG-CE1 3.45Å; F521-Y602 VanDerWaalsContact CG-CE1 3.45Å; A583-Y602 HydrophobicContact CB-CD2 4.24Å; A583-Y602 HydrophobicContact CB-CE2 3.76Å; L598-Y602 PolarHBondContact O-N 2.81Å; N599-Y602 PolarHBondContact O-N 3.26Å; F600-Y602 VanDerWaalsContact C-N 3.33Å; F600-Y602 PolarHBondContact O-N 3.05Å; Y602-T604 PolarHBondContact O-N 3.39Å; Y602-W605 HydrophobicContact CD2-CE3 4.45Å; Y602-W605 HydrophobicContact CE2-CE3 4.3Å; Y602-W605 WeakPolarHBondContact O-CA 3.38Å; Y602-W605 WeakPolarHBondContact O-CB 3Å; Y602-W605 PolarHBondContact O-N 3.41Å; Y602-Q606 HydrophobicContact CE1-CG 4.26Å; Y602-Q606 HydrophobicContact CE2-CG 4.25Å; Y602-Q606 WeakPolarHBondContact O-CG 3.27Å; Y602-Q606 PolarHBondContact O-N 2.93Å; Y602-Q606 PolarHBondContact OH-NE2 3.33Å; Y602-F649 HydrophobicContact CD2-CD1 4.19Å; Y602-F649 AromaticContact CD2-CE1 3.77Å; Y602-F649 HydrophobicContact CD2-CE1 3.77Å; Y602-F649 HydrophobicContact CD2-CZ 4.29Å; Y602-F649 HydrophobicContact CG-CE1 4.29Å; Y602-F649 HydrophobicContact CG-CZ 4.36Å
603	L	95.5	Very high	93.7	Very high	78 Å²	78	31.9 Å²	31.9	41%	0.408	16%	0.156	S	C	.	.	H	α-helix	trans	-58.5	-38.4	176.4	-67.9	173.6	0	0	0	111.6	F521 N599 F600 Q606	F521-L603 HydrophobicContact CE2-CD2 4.37Å; F521-L603 HydrophobicContact CE2-CG 4.46Å; F521-L603 HydrophobicContact CZ-CD2 4.06Å; N599-L603 WeakPolarHBondContact O-CG 3.28Å; N599-L603 PolarHBondContact O-N 2.94Å; F600-L603 PolarHBondContact O-N 2.87Å; L603-Q606 WeakPolarHBondContact O-CB 3.38Å; L603-Q606 PolarHBondContact O-N 2.73Å
604	T	95.3	Very high	94.1	Very high	10 Å²	10	31.2 Å²	31.2	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-43.4	173.3	-60.8	0	0	0	0	111.6	F600 A601 Y602 Q606 E607 F608 V613 I694 V696 M774	F600-T604 WeakPolarHBondContact CZ-OG1 3.28Å; F600-T604 WeakPolarHBondContact O-CB 3.39Å; F600-T604 PolarHBondContact O-N 3.24Å; F600-T604 PolarHBondContact O-OG1 2.79Å; A601-T604 WeakPolarHBondContact O-CB 3.28Å; A601-T604 PolarHBondContact O-N 2.97Å; Y602-T604 PolarHBondContact O-N 3.39Å; T604-Q606 VanDerWaalsContact C-N 3.29Å; T604-Q606 PolarHBondContact O-N 2.7Å; T604-E607 PolarHBondContact O-N 3.19Å; T604-F608 WeakPolarHBondContact O-CD2 2.95Å; T604-F608 PolarHBondContact O-N 2.76Å; T604-V613 HydrophobicContact CG2-CG1 3.74Å; T604-I694 HydrophobicContact CG2-CG2 4.28Å; T604-V696 HydrophobicContact CG2-CG1 3.96Å; T604-M774 HydrophobicContact CG2-CB 4.36Å; T604-M774 HydrophobicContact CG2-CG 4.45Å; T604-M774 HydrophobicContact CG2-SD 3.25Å; T604-M774 WeakPolarHBondContact CG2-SD 3.31Å
605	W	96.1	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-34	176.5	179.1	85.3	0	0	0	112.7	I487 L582 A583 A601 Y602 E607 F608 P609 V613 F649 H651	I487-W605 HydrophobicContact CG2-CZ3 4.15Å; L582-W605 HydrophobicContact CB-CH2 4.3Å; A583-W605 HydrophobicContact CB-CD2 4.34Å; A583-W605 HydrophobicContact CB-CE3 3.75Å; A583-W605 HydrophobicContact CB-CH2 3.67Å; A583-W605 HydrophobicContact CB-CZ2 4.25Å; A583-W605 HydrophobicContact CB-CZ3 3.4Å; A583-W605 VanDerWaalsContact CB-CZ3 3.4Å; A601-W605 PolarHBondContact O-N 3.37Å; Y602-W605 HydrophobicContact CD2-CE3 4.45Å; Y602-W605 HydrophobicContact CE2-CE3 4.3Å; Y602-W605 WeakPolarHBondContact O-CA 3.38Å; Y602-W605 WeakPolarHBondContact O-CB 3Å; Y602-W605 PolarHBondContact O-N 3.41Å; W605-E607 PolarHBondContact O-N 3.48Å; W605-F608 CarbonylContact O-C 3.6Å; W605-F608 PolarHBondContact O-N 2.98Å; W605-P609 HydrophobicContact CH2-CB 4.09Å; W605-P609 HydrophobicContact CZ2-CB 3.99Å; W605-P609 HydrophobicContact CZ3-CB 4.47Å; W605-P609 PolarHBondContact NE1-O 3.17Å; W605-P609 VanDerWaalsContact O-CA 3.28Å; W605-P609 WeakPolarHBondContact O-CA 3.11Å; W605-V613 HydrophobicContact CB-CB 4.17Å; W605-V613 HydrophobicContact CB-CG2 3.96Å; W605-V613 HydrophobicContact CG-CG2 4.37Å; W605-F649 HydrophobicContact CB-CB 3.71Å; W605-F649 HydrophobicContact CB-CG 4.17Å; W605-F649 HydrophobicContact CD2-CB 4.4Å; W605-F649 HydrophobicContact CG-CB 3.58Å; W605-F649 HydrophobicContact CG-CG 4.36Å; W605-H651 HydrophobicContact CZ2-CB 4.05Å; W605-H651 AromaticContact CZ2-CD2 3.94Å
606	Q	94.5	Very high	94.1	Very high	31 Å²	31	28.4 Å²	28.4	15%	0.145	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-30.5	176	-66.5	-176.8	-37.3	0	0	113.4	I487 Y602 L603 T604	I487-Q606 HydrophobicContact CG2-CB 4.05Å; I487-Q606 HydrophobicContact CG2-CG 4Å; I487-Q606 PolarHBondContact O-NE2 2.69Å; Y602-Q606 HydrophobicContact CE1-CG 4.26Å; Y602-Q606 HydrophobicContact CE2-CG 4.25Å; Y602-Q606 WeakPolarHBondContact O-CG 3.27Å; Y602-Q606 PolarHBondContact O-N 2.93Å; Y602-Q606 PolarHBondContact OH-NE2 3.33Å; L603-Q606 WeakPolarHBondContact O-CB 3.38Å; L603-Q606 PolarHBondContact O-N 2.73Å; T604-Q606 VanDerWaalsContact C-N 3.29Å; T604-Q606 PolarHBondContact O-N 2.7Å
607	E	92.7	Very high	94.1	Very high	141 Å²	141	22.5 Å²	22.5	66%	0.659	11%	0.107	S	C	*	.	H	α-helix	trans	-79	-23.1	175.2	-64.6	-60.9	139.3	0	0	112.7	T604 W605 P609	T604-E607 PolarHBondContact O-N 3.19Å; W605-E607 PolarHBondContact O-N 3.48Å; E607-P609 VanDerWaalsContact C-CD 3.46Å
608	F	94.4	Very high	94.1	Very high	60 Å²	60	23.2 Å²	23.2	26%	0.263	11%	0.109	S	C	.	.	S	Bend	trans	-133.1	57.9	-178.9	-55.3	-80.2	0	0	0	112.2	T604 W605 N610 R611 I694 M774	T604-F608 WeakPolarHBondContact O-CD2 2.95Å; T604-F608 PolarHBondContact O-N 2.76Å; W605-F608 CarbonylContact O-C 3.6Å; W605-F608 PolarHBondContact O-N 2.98Å; F608-N610 PolarHBondContact O-N 3.24Å; F608-N610 VanDerWaalsContact O-N 3.1Å; F608-R611 HydrophobicContact CB-CB 4.29Å; F608-R611 PolarHBondContact O-N 2.85Å; F608-I694 HydrophobicContact CB-CD1 3.46Å; F608-I694 VanDerWaalsContact CB-CD1 3.46Å; F608-I694 HydrophobicContact CD1-CD1 3.94Å; F608-I694 HydrophobicContact CD2-CD1 3.36Å; F608-I694 HydrophobicContact CE2-CD1 4.1Å; F608-I694 HydrophobicContact CG-CD1 3.28Å; F608-M774 HydrophobicContact CD2-CE 3.94Å; F608-M774 HydrophobicContact CD2-SD 4.3Å; F608-M774 HydrophobicContact CE2-CE 3.18Å; F608-M774 HydrophobicContact CE2-SD 3.86Å; F608-M774 HydrophobicContact CZ-CE 3.56Å
609	P	94.1	Very high	94.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.013	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.2	-169.3	26.1	-35.9	0	0	0	113.1	Y479 W605 E607 R611	Y479-P609 HydrophobicContact CD2-CG 3.74Å; Y479-P609 HydrophobicContact CE2-CB 3.76Å; Y479-P609 HydrophobicContact CE2-CG 3.39Å; W605-P609 HydrophobicContact CH2-CB 4.09Å; W605-P609 HydrophobicContact CZ2-CB 3.99Å; W605-P609 HydrophobicContact CZ3-CB 4.47Å; W605-P609 PolarHBondContact NE1-O 3.17Å; W605-P609 VanDerWaalsContact O-CA 3.28Å; W605-P609 WeakPolarHBondContact O-CA 3.11Å; E607-P609 VanDerWaalsContact C-CD 3.46Å; P609-R611 VanDerWaalsContact C-N 3.32Å
610	N	93.7	Very high	94	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.7	174.1	68.1	-36.3	0	0	0	113.7	P475 F608 Y654 T689 L691	P475-N610 HydrophobicContact CB-CB 4.38Å; P475-N610 WeakPolarHBondContact O-CB 3.38Å; F608-N610 PolarHBondContact O-N 3.24Å; F608-N610 VanDerWaalsContact O-N 3.1Å; N610-Y654 PolarHBondContact O-OH 2.74Å; N610-T689 HydrophobicContact CB-CG2 4.35Å; N610-T689 WeakPolarHBondContact O-CG2 3.24Å; N610-L691 WeakPolarHBondContact ND2-CD1 3.43Å
611	R	94.8	Very high	93.8	Very high	30 Å²	30	26 Å²	26	11%	0.113	12%	0.119	C	C	.	.	S	Bend	trans	-112.5	158.1	-176.3	-63.7	173.4	70.8	-172.7	-2.1	111.3	F608 P609 L691 P692 P693 I694 N770	F608-R611 HydrophobicContact CB-CB 4.29Å; F608-R611 PolarHBondContact O-N 2.85Å; P609-R611 VanDerWaalsContact C-N 3.32Å; R611-L691 HydrophobicContact CG-CB 4.31Å; R611-L691 HydrophobicContact CG-CD1 4.23Å; R611-P692 PolarHBondContact NE-O 3.28Å; R611-P692 PolarHBondContact NH2-O 3.38Å; R611-P693 PolarHBondContact NH2-O 3.37Å; R611-I694 HydrophobicContact CB-CD1 4.4Å; R611-I694 HydrophobicContact CB-CG1 4.5Å; R611-I694 VanDerWaalsContact NH2-CG1 3.34Å; R611-N770 PolarHBondContact NH2-ND2 3.46Å
612	L	96.4	Very high	93.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	14%	0.136	C	C	.	.			trans	-78.6	127.3	167.5	-167.7	171.8	0	0	0	108.3	V643 L645 A648 F649 I685 P693 I694	L612-V643 HydrophobicContact CD2-CB 3.46Å; L612-V643 VanDerWaalsContact CD2-CB 3.46Å; L612-V643 HydrophobicContact CD2-CG1 3.31Å; L612-V643 HydrophobicContact CD2-CG2 4.39Å; L612-L645 HydrophobicContact CD1-CD2 3.63Å; L612-L645 HydrophobicContact CD1-CG 4.46Å; L612-L645 HydrophobicContact CG-CD2 4.17Å; L612-A648 HydrophobicContact CD2-CB 3.65Å; L612-A648 HydrophobicContact CG-CB 4.38Å; L612-F649 WeakPolarHBondContact CA-O 3.27Å; L612-I685 HydrophobicContact CB-CD1 4.04Å; L612-I685 HydrophobicContact CD1-CD1 4.3Å; L612-I685 HydrophobicContact CG-CD1 4.5Å; L612-P693 HydrophobicContact CB-CB 4.24Å; L612-I694 PolarHBondContact O-N 3.2Å
613	V	96.7	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.9	177.8	-177.5	0	0	0	0	109.4	T604 W605 A648 F649 I694 V696	T604-V613 HydrophobicContact CG2-CG1 3.74Å; W605-V613 HydrophobicContact CB-CB 4.17Å; W605-V613 HydrophobicContact CB-CG2 3.96Å; W605-V613 HydrophobicContact CG-CG2 4.37Å; V613-A648 CarbonylContact O-C 3.54Å; V613-A648 VanDerWaalsContact O-CA 3.27Å; V613-A648 WeakPolarHBondContact O-CA 3.39Å; V613-F649 HydrophobicContact CB-CB 4.44Å; V613-F649 PolarHBondContact N-O 3.41Å; V613-F649 PolarHBondContact O-N 2.84Å; V613-I694 WeakPolarHBondContact CA-O 3.38Å; V613-I694 HydrophobicContact CG1-CB 4.47Å; V613-I694 HydrophobicContact CG1-CG2 4.35Å; V613-I694 HydrophobicContact CG2-CB 4.08Å; V613-I694 HydrophobicContact CG2-CD1 4.2Å; V613-V696 HydrophobicContact CG1-CG1 3.64Å
614	G	94.9	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	176.6	-178.7	0	0	0	0	0	115.3	G647 I694 K695 V696	G614-G647 VanDerWaalsContact CA-O 3.27Å; G614-G647 WeakPolarHBondContact CA-O 3.05Å; G614-I694 PolarHBondContact N-O 2.97Å; G614-K695 WeakPolarHBondContact O-CA 3.22Å; G614-V696 WeakPolarHBondContact O-CG2 3.28Å; G614-V696 PolarHBondContact O-N 2.67Å
615	F	91.6	Very high	92.5	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-87.5	-38.5	-168.2	-58.5	-77.4	0	0	0	113.7	F585 L591 I593 Q597 A601 G647 V696	F585-F615 HydrophobicContact CE2-CE2 4.11Å; F585-F615 HydrophobicContact CZ-CE2 4.15Å; L591-F615 HydrophobicContact CD2-CD2 4.39Å; I593-F615 HydrophobicContact CD1-CD2 4.42Å; I593-F615 HydrophobicContact CD1-CE2 3.71Å; I593-F615 HydrophobicContact CD1-CZ 4.13Å; I593-F615 HydrophobicContact CG2-CD2 4.13Å; I593-F615 HydrophobicContact CG2-CE2 4.23Å; I593-F615 HydrophobicContact CG2-CG 4.31Å; I593-F615 HydrophobicContact CG2-CZ 4.45Å; Q597-F615 HydrophobicContact CB-CE1 3.96Å; Q597-F615 HydrophobicContact CB-CZ 4.24Å; Q597-F615 WeakPolarHBondContact O-CZ 3.34Å; A601-F615 HydrophobicContact CB-CE1 4.07Å; A601-F615 HydrophobicContact CB-CE2 4.21Å; A601-F615 HydrophobicContact CB-CZ 3.52Å; F615-G647 WeakPolarHBondContact CD2-O 3.09Å; F615-G647 PolarHBondContact N-O 2.56Å; F615-V696 HydrophobicContact CD1-CG2 3.44Å; F615-V696 VanDerWaalsContact CD1-CG2 3.44Å; F615-V696 HydrophobicContact CE1-CG2 3.55Å; F615-V696 HydrophobicContact CG-CG2 4.02Å; F615-V696 HydrophobicContact CZ-CG2 4.2Å
616	Q	89.5	Confident	92.1	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.056	21%	0.207	C	C	.	.			trans	-104.8	116.8	-171.5	-70.6	176.1	-86.3	0	0	111.2	V643 L644 N646 I702 E703	Q616-V643 CarbonylContact O-C 3.49Å; Q616-V643 VanDerWaalsContact O-CA 3.31Å; Q616-V643 WeakPolarHBondContact O-CA 3.23Å; Q616-L644 HydrophobicContact CB-CB 4.19Å; Q616-L644 HydrophobicContact CB-CD1 4.21Å; Q616-L644 HydrophobicContact CB-CG 4.4Å; Q616-L644 PolarHBondContact O-N 2.66Å; Q616-N646 PolarHBondContact OE1-ND2 3.16Å; Q616-N646 PolarHBondContact OE1-OD1 3.33Å; Q616-I702 HydrophobicContact CG-CG2 3.96Å; Q616-E703 VanDerWaalsContact NE2-CG 3.33Å; Q616-E703 PolarHBondContact NE2-OE1 3.48Å; Q616-E703 PolarHBondContact NE2-OE2 3.23Å
617	A	90.2	Very high	91.7	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.9	-176.9	0	0	0	0	0	112.2	P635 F640 I642 V643 K695	A617-P635 WeakPolarHBondContact O-CG 3.26Å; A617-F640 HydrophobicContact CB-CB 3.81Å; A617-F640 HydrophobicContact CB-CD2 4.06Å; A617-F640 HydrophobicContact CB-CG 3.92Å; A617-I642 CarbonylContact C-O 3.59Å; A617-I642 VanDerWaalsContact CA-O 3.31Å; A617-I642 WeakPolarHBondContact CA-O 3.36Å; A617-V643 HydrophobicContact CB-CG2 4.48Å; A617-K695 HydrophobicContact CB-CB 4.49Å; A617-K695 HydrophobicContact CB-CD 3.64Å; A617-K695 HydrophobicContact CB-CG 4.14Å
618	R	92.6	Very high	91.6	Very high	33 Å²	33	42 Å²	42	13%	0.125	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.1	-177.8	-61.8	-68.7	-171.2	-92.5	2	108.4	Y631 D633 S641 I642 L644 E703	R618-Y631 HydrophobicContact CB-CE2 3.84Å; R618-Y631 WeakPolarHBondContact CD-OH 3.46Å; R618-Y631 HydrophobicContact CG-CE2 4.22Å; R618-Y631 WeakPolarHBondContact CG-OH 3.41Å; R618-Y631 PolarHBondContact NE-OH 3.39Å; R618-D633 WeakPolarHBondContact CD-O 3.23Å; R618-D633 PolarHBondContact NE-O 2.8Å; R618-S641 PolarHBondContact O-N 3.41Å; R618-I642 HydrophobicContact CB-CB 3.92Å; R618-I642 HydrophobicContact CB-CG2 4.06Å; R618-I642 PolarHBondContact N-O 3.34Å; R618-I642 PolarHBondContact O-N 3.42Å; R618-I642 VanDerWaalsContact O-O 3.12Å; R618-L644 HydrophobicContact CG-CD1 4.09Å; R618-L644 HydrophobicContact CG-CD2 3.87Å; R618-L644 HydrophobicContact CG-CG 3.84Å; R618-E703 IonicContact CZ-OE2 2.99Å; R618-E703 IonicContact NH2-OE2 3.07Å; R618-E703 PolarHBondContact NH2-OE2 2.92Å
619	S	92.8	Very high	91.5	Very high	6 Å²	6	42 Å²	42	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-178.8	176.8	-156.4	0	0	0	0	112.1	D632	S619-D632 PolarHBondContact N-O 3.1Å; S619-D632 PolarHBondContact O-N 2.93Å
620	H	91.8	Very high	91.4	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.065	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157	168.6	70.1	-61.5	0	0	0	108.5	W629 K630 S641 I729 L765 L767	H620-W629 AromaticContact CD2-CE3 3.58Å; H620-W629 AromaticContact CD2-CZ3 3.64Å; H620-W629 AromaticContact NE2-CZ3 4Å; H620-K630 VanDerWaalsContact CA-O 3.24Å; H620-K630 WeakPolarHBondContact CA-O 3.45Å; H620-S641 WeakPolarHBondContact ND1-CB 3.49Å; H620-S641 PolarHBondContact ND1-OG 3.36Å; H620-I729 HydrophobicContact CB-CD1 4.13Å; H620-L765 WeakPolarHBondContact CD2-CD2 3.18Å; H620-L767 PolarHBondContact CE1-O 2.92Å
621	Y	90	Very high	91.4	Very high	111 Å²	111	44.2 Å²	44.2	44%	0.435	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.4	172.8	63.6	-85.7	0	0	0	110.3	N623 K630 D632	Y621-N623 HydrophobicContact CE2-CB 4.26Å; Y621-K630 HydrophobicContact CD1-CB 4.3Å; Y621-K630 HydrophobicContact CD2-CB 4.34Å; Y621-K630 HydrophobicContact CE1-CB 3.76Å; Y621-K630 HydrophobicContact CE2-CB 3.8Å; Y621-K630 HydrophobicContact CE2-CG 4.11Å; Y621-K630 VanDerWaalsContact CZ-CB 3.48Å; Y621-K630 PolarHBondContact N-O 3.46Å; Y621-K630 PolarHBondContact O-N 3.04Å; Y621-D632 HydrophobicContact CD1-CB 4Å; Y621-D632 HydrophobicContact CE1-CB 4.13Å
622	W	88.8	Confident	91.2	Very high	96 Å²	96	44.7 Å²	44.7	36%	0.364	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.5	172.8	-176.5	-103.8	0	0	0	109.8	T624 N627 W629 M763	W622-T624 PolarHBondContact O-N 3.44Å; W622-N627 HydrophobicContact CH2-CB 4.46Å; W622-N627 WeakPolarHBondContact CH2-O 3.36Å; W622-N627 VanDerWaalsContact CZ2-CA 3.49Å; W622-N627 HydrophobicContact CZ2-CB 3.82Å; W622-N627 WeakPolarHBondContact CZ2-O 3.47Å; W622-W629 HydrophobicContact CB-CE3 4.08Å; W622-W629 HydrophobicContact CB-CH2 4.17Å; W622-W629 HydrophobicContact CB-CZ3 3.76Å; W622-W629 AromaticContact CE3-CD1 3.97Å; W622-W629 AromaticContact CE3-CD2 3.53Å; W622-W629 HydrophobicContact CE3-CD2 3.53Å; W622-W629 AromaticContact CE3-CE2 3.47Å; W622-W629 VanDerWaalsContact CE3-CE2 3.47Å; W622-W629 AromaticContact CE3-CE3 3.96Å; W622-W629 HydrophobicContact CE3-CE3 3.96Å; W622-W629 AromaticContact CE3-CG 3.86Å; W622-W629 HydrophobicContact CE3-CG 3.86Å; W622-W629 HydrophobicContact CE3-CH2 4.28Å; W622-W629 AromaticContact CE3-CZ2 3.87Å; W622-W629 HydrophobicContact CE3-CZ2 3.87Å; W622-W629 HydrophobicContact CE3-CZ3 4.33Å; W622-W629 AromaticContact CE3-NE1 3.74Å; W622-W629 AromaticContact CZ3-CD1 3.68Å; W622-W629 HydrophobicContact CZ3-CD2 4.06Å; W622-W629 AromaticContact CZ3-CE2 3.78Å; W622-W629 HydrophobicContact CZ3-CG 4Å; W622-W629 HydrophobicContact CZ3-CZ2 4.39Å; W622-W629 AromaticContact CZ3-NE1 3.54Å; W622-M763 HydrophobicContact CH2-SD 4.35Å; W622-M763 HydrophobicContact CZ3-SD 4.42Å
623	N	88.7	Confident	90.7	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109.2	170.6	-175.5	1.3	0	0	0	109.3	Y621 T625 D626 N627 L628 K630	Y621-N623 HydrophobicContact CE2-CB 4.26Å; N623-T625 PolarHBondContact O-N 3.31Å; N623-T625 WeakPolarHBondContact OD1-CB 3.33Å; N623-T625 PolarHBondContact OD1-N 2.93Å; N623-T625 PolarHBondContact OD1-OG1 3.25Å; N623-D626 PolarHBondContact ND2-OD2 3.32Å; N623-D626 PolarHBondContact O-N 2.97Å; N623-N627 VanDerWaalsContact O-CA 3.28Å; N623-N627 WeakPolarHBondContact O-CA 3.48Å; N623-N627 PolarHBondContact O-N 3.01Å; N623-L628 PolarHBondContact N-O 2.82Å; N623-L628 PolarHBondContact O-N 3.43Å; N623-K630 HydrophobicContact CB-CG 3.79Å
624	T	87.8	Confident	89.9	Confident	108 Å²	108	51 Å²	51	66%	0.663	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.2	178.2	53	0	0	0	0	113.7	W622 N627	W622-T624 PolarHBondContact O-N 3.44Å; T624-N627 PolarHBondContact O-OD1 2.88Å
625	T	89.9	Confident	88.8	Confident	117 Å²	117	51.9 Å²	51.9	72%	0.718	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-47.3	179	-48.4	0	0	0	0	110.8	N623	N623-T625 PolarHBondContact O-N 3.31Å; N623-T625 WeakPolarHBondContact OD1-CB 3.33Å; N623-T625 PolarHBondContact OD1-N 2.93Å; N623-T625 PolarHBondContact OD1-OG1 3.25Å
626	D	87.7	Confident	87.7	Confident	77 Å²	77	54.7 Å²	54.7	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.2	-178	-59.5	-19.6	0	0	0	112.4	N623 L628 K630	N623-D626 PolarHBondContact ND2-OD2 3.32Å; N623-D626 PolarHBondContact O-N 2.97Å; D626-L628 VanDerWaalsContact C-N 3.31Å; D626-L628 HydrophobicContact CB-CB 4.2Å; D626-L628 HydrophobicContact CB-CD1 4.06Å; D626-L628 HydrophobicContact CB-CG 4.1Å; D626-K630 WeakPolarHBondContact OD2-CE 3.48Å; D626-K630 IonicContact OD2-NZ 2.66Å; D626-K630 PolarHBondContact OD2-NZ 3.17Å
627	N	86.9	Confident	86.6	Confident	100 Å²	100	61.2 Å²	61.2	54%	0.535	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	46	-165.7	-64.6	-53.6	0	0	0	112.6	W622 N623 T624	W622-N627 HydrophobicContact CH2-CB 4.46Å; W622-N627 WeakPolarHBondContact CH2-O 3.36Å; W622-N627 VanDerWaalsContact CZ2-CA 3.49Å; W622-N627 HydrophobicContact CZ2-CB 3.82Å; W622-N627 WeakPolarHBondContact CZ2-O 3.47Å; N623-N627 VanDerWaalsContact O-CA 3.28Å; N623-N627 WeakPolarHBondContact O-CA 3.48Å; N623-N627 PolarHBondContact O-N 3.01Å; T624-N627 PolarHBondContact O-OD1 2.88Å
628	L	90.4	Very high	85.7	Confident	65 Å²	65	68.1 Å²	68.1	34%	0.34	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.1	-179.4	-62.6	173.7	0	0	0	110.8	N623 D626 Q730	N623-L628 PolarHBondContact N-O 2.82Å; N623-L628 PolarHBondContact O-N 3.43Å; D626-L628 VanDerWaalsContact C-N 3.31Å; D626-L628 HydrophobicContact CB-CB 4.2Å; D626-L628 HydrophobicContact CB-CD1 4.06Å; D626-L628 HydrophobicContact CB-CG 4.1Å; L628-Q730 HydrophobicContact CD2-CG 3.96Å
629	W	91.6	Very high	85.3	Confident	61 Å²	61	70.5 Å²	70.5	23%	0.231	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.3	167.5	-67.1	108.1	0	0	0	110.7	H620 W622 I729 L765	H620-W629 AromaticContact CD2-CE3 3.58Å; H620-W629 AromaticContact CD2-CZ3 3.64Å; H620-W629 AromaticContact NE2-CZ3 4Å; W622-W629 HydrophobicContact CB-CE3 4.08Å; W622-W629 HydrophobicContact CB-CH2 4.17Å; W622-W629 HydrophobicContact CB-CZ3 3.76Å; W622-W629 AromaticContact CE3-CD1 3.97Å; W622-W629 AromaticContact CE3-CD2 3.53Å; W622-W629 HydrophobicContact CE3-CD2 3.53Å; W622-W629 AromaticContact CE3-CE2 3.47Å; W622-W629 VanDerWaalsContact CE3-CE2 3.47Å; W622-W629 AromaticContact CE3-CE3 3.96Å; W622-W629 HydrophobicContact CE3-CE3 3.96Å; W622-W629 AromaticContact CE3-CG 3.86Å; W622-W629 HydrophobicContact CE3-CG 3.86Å; W622-W629 HydrophobicContact CE3-CH2 4.28Å; W622-W629 AromaticContact CE3-CZ2 3.87Å; W622-W629 HydrophobicContact CE3-CZ2 3.87Å; W622-W629 HydrophobicContact CE3-CZ3 4.33Å; W622-W629 AromaticContact CE3-NE1 3.74Å; W622-W629 AromaticContact CZ3-CD1 3.68Å; W622-W629 HydrophobicContact CZ3-CD2 4.06Å; W622-W629 AromaticContact CZ3-CE2 3.78Å; W622-W629 HydrophobicContact CZ3-CG 4Å; W622-W629 HydrophobicContact CZ3-CZ2 4.39Å; W622-W629 AromaticContact CZ3-NE1 3.54Å; W629-I729 HydrophobicContact CB-CG2 3.59Å; W629-I729 HydrophobicContact CG-CG2 4.27Å; W629-L765 HydrophobicContact CD2-CD2 3.91Å; W629-L765 HydrophobicContact CE3-CD2 4.27Å; W629-L765 HydrophobicContact CG-CD2 4.04Å
630	K	92.5	Very high	85.2	Confident	51 Å²	51	70.4 Å²	70.4	22%	0.222	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.8	176.2	-64	-68	-173.9	172.5	0	110.6	H620 Y621 N623 D626	H620-K630 VanDerWaalsContact CA-O 3.24Å; H620-K630 WeakPolarHBondContact CA-O 3.45Å; Y621-K630 HydrophobicContact CD1-CB 4.3Å; Y621-K630 HydrophobicContact CD2-CB 4.34Å; Y621-K630 HydrophobicContact CE1-CB 3.76Å; Y621-K630 HydrophobicContact CE2-CB 3.8Å; Y621-K630 HydrophobicContact CE2-CG 4.11Å; Y621-K630 VanDerWaalsContact CZ-CB 3.48Å; Y621-K630 PolarHBondContact N-O 3.46Å; Y621-K630 PolarHBondContact O-N 3.04Å; N623-K630 HydrophobicContact CB-CG 3.79Å; D626-K630 WeakPolarHBondContact OD2-CE 3.48Å; D626-K630 IonicContact OD2-NZ 2.66Å; D626-K630 PolarHBondContact OD2-NZ 3.17Å
631	Y	93.7	Very high	85.2	Confident	1 Å²	1	69.7 Å²	69.7	0%	0.004	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.9	172.2	178.3	-111.4	0	0	0	110.8	R618 D633 I642 I679 Y721 R722 R725 S726 I729	R618-Y631 HydrophobicContact CB-CE2 3.84Å; R618-Y631 WeakPolarHBondContact CD-OH 3.46Å; R618-Y631 HydrophobicContact CG-CE2 4.22Å; R618-Y631 WeakPolarHBondContact CG-OH 3.41Å; R618-Y631 PolarHBondContact NE-OH 3.39Å; Y631-D633 HydrophobicContact CD1-CB 4.38Å; Y631-D633 HydrophobicContact CE1-CB 3.77Å; Y631-I642 HydrophobicContact CD2-CD1 4.24Å; Y631-I642 HydrophobicContact CE2-CD1 4.19Å; Y631-I679 HydrophobicContact CD2-CD1 4.18Å; Y631-I679 HydrophobicContact CE2-CD1 4.19Å; Y631-Y721 HydrophobicContact CE1-CE1 4.47Å; Y631-R722 HydrophobicContact CD1-CG 4.21Å; Y631-R725 HydrophobicContact CD1-CB 3.85Å; Y631-R725 HydrophobicContact CD2-CB 4.3Å; Y631-R725 HydrophobicContact CE1-CB 4.35Å; Y631-R725 HydrophobicContact CG-CB 3.8Å; Y631-R725 PolarHBondContact OH-NH1 2.68Å; Y631-R725 VanDerWaalsContact OH-NH1 3.1Å; Y631-S726 PolarHBondContact N-OG 3.13Å; Y631-I729 HydrophobicContact CD2-CD1 3.87Å; Y631-I729 HydrophobicContact CG-CD1 4.35Å
632	D	90.3	Very high	85.5	Confident	41 Å²	41	64.4 Å²	64.4	22%	0.219	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.3	174.5	-177.2	8	0	0	0	110.4	S619 Y621 N634 P635	S619-D632 PolarHBondContact N-O 3.1Å; S619-D632 PolarHBondContact O-N 2.93Å; Y621-D632 HydrophobicContact CD1-CB 4Å; Y621-D632 HydrophobicContact CE1-CB 4.13Å; D632-N634 VanDerWaalsContact OD1-C 3.24Å; D632-N634 PolarHBondContact OD1-N 3Å; D632-P635 WeakPolarHBondContact OD2-CA 3.44Å
633	D	85.8	Confident	85.7	Confident	33 Å²	33	59.9 Å²	59.9	18%	0.176	31%	0.314	C	S	.	.	S	Bend	trans	-82.2	-17	178.6	60.7	-36.8	0	0	0	114.2	R618 Y631 P635 R722	R618-D633 WeakPolarHBondContact CD-O 3.23Å; R618-D633 PolarHBondContact NE-O 2.8Å; Y631-D633 HydrophobicContact CD1-CB 4.38Å; Y631-D633 HydrophobicContact CE1-CB 3.77Å; D633-P635 WeakPolarHBondContact O-CD 3.41Å; D633-R722 VanDerWaalsContact CG-NH2 3.34Å; D633-R722 IonicContact OD1-CZ 2.74Å; D633-R722 IonicContact OD1-NE 2.71Å; D633-R722 PolarHBondContact OD1-NE 3.41Å; D633-R722 IonicContact OD1-NH2 3.12Å; D633-R722 PolarHBondContact OD1-NH2 2.76Å; D633-R722 VanDerWaalsContact OD1-NH2 3.13Å; D633-R722 IonicContact OD2-CZ 3.59Å; D633-R722 IonicContact OD2-NE 2.68Å; D633-R722 IonicContact OD2-NH2 3.13Å; D633-R722 PolarHBondContact OD2-NH2 3.23Å
634	N	80.4	Confident	85.9	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	31%	0.307	S	S	.	.	S	Bend	trans	-127.3	68.8	178.1	-169.4	25.3	0	0	0	110.6	D632 S636	D632-N634 VanDerWaalsContact OD1-C 3.24Å; D632-N634 PolarHBondContact OD1-N 3Å; N634-S636 PolarHBondContact O-N 3.18Å
635	P	71.2	Confident	86.2	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.123	28%	0.277	C	S	.	.			trans	-58.1	142.4	-178.9	26.3	-35.7	0	0	0	110.8	A617 D632 D633 M637 H639	A617-P635 WeakPolarHBondContact O-CG 3.26Å; D632-P635 WeakPolarHBondContact OD2-CA 3.44Å; D633-P635 WeakPolarHBondContact O-CD 3.41Å; P635-M637 PolarHBondContact O-N 2.77Å; P635-H639 VanDerWaalsContact CB-O 3.26Å; P635-H639 WeakPolarHBondContact CB-O 3.42Å
636	S	69.2	Low	86.2	Confident	67 Å²	67	49.3 Å²	49.3	47%	0.469	25%	0.249	S	C	.	.			trans	-49.6	143.9	166.4	75.1	0	0	0	0	109.3	N634 K638 H639	N634-S636 PolarHBondContact O-N 3.18Å; S636-K638 PolarHBondContact O-N 3.13Å; S636-H639 PolarHBondContact O-N 3.46Å; S636-H639 VanDerWaalsContact O-N 3.08Å; S636-H639 PolarHBondContact OG-N 2.94Å
637	M	66.6	Low	86.5	Confident	148 Å²	148	45.6 Å²	45.6	73%	0.729	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-15.7	-179	-64.7	-147.2	86.8	0	0	113.6	P635	P635-M637 PolarHBondContact O-N 2.77Å
638	K	70.3	Confident	87	Confident	151 Å²	151	40.9 Å²	40.9	66%	0.657	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.9	-176.7	-65.5	-174.7	179.3	-178.3	0	115.4	S636 S771	S636-K638 PolarHBondContact O-N 3.13Å; K638-S771 WeakPolarHBondContact O-CA 3.5Å; K638-S771 WeakPolarHBondContact O-CB 3.32Å
639	H	84.6	Confident	87.3	Confident	84 Å²	84	37.8 Å²	37.8	39%	0.389	19%	0.188	S	C	.	.			trans	-140.8	118.5	-173.7	-65.1	-87	0	0	0	111	P635 S636 E769	P635-H639 VanDerWaalsContact CB-O 3.26Å; P635-H639 WeakPolarHBondContact CB-O 3.42Å; S636-H639 PolarHBondContact O-N 3.46Å; S636-H639 VanDerWaalsContact O-N 3.08Å; S636-H639 PolarHBondContact OG-N 2.94Å; H639-E769 IonicContact ND1-OE2 3.4Å; H639-E769 PolarHBondContact ND1-OE2 3.49Å
640	F	91.2	Very high	87.6	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-142.8	152	173.9	64	-85.8	0	0	0	110.6	A617 V643 P693 K695 E769 N770 Y772	A617-F640 HydrophobicContact CB-CB 3.81Å; A617-F640 HydrophobicContact CB-CD2 4.06Å; A617-F640 HydrophobicContact CB-CG 3.92Å; F640-V643 HydrophobicContact CD2-CG2 4.4Å; F640-V643 HydrophobicContact CE2-CG2 4.41Å; F640-P693 HydrophobicContact CD2-CG 4.36Å; F640-P693 HydrophobicContact CE2-CG 4.35Å; F640-K695 HydrophobicContact CD1-CB 4.44Å; F640-K695 HydrophobicContact CD1-CD 4.39Å; F640-K695 HydrophobicContact CD2-CB 4.34Å; F640-K695 HydrophobicContact CE1-CB 3.81Å; F640-K695 HydrophobicContact CE1-CD 4.34Å; F640-K695 HydrophobicContact CE2-CB 3.69Å; F640-K695 HydrophobicContact CZ-CB 3.39Å; F640-E769 CarbonylContact O-C 3.04Å; F640-E769 WeakPolarHBondContact O-CA 3.4Å; F640-N770 VanDerWaalsContact CD1-O 3.27Å; F640-N770 WeakPolarHBondContact CD1-O 3.22Å; F640-N770 HydrophobicContact CE1-CB 4.21Å; F640-N770 WeakPolarHBondContact CE1-O 3.44Å; F640-N770 HydrophobicContact CE2-CB 3.93Å; F640-N770 HydrophobicContact CZ-CB 3.73Å; F640-N770 PolarHBondContact N-O 3.21Å; F640-N770 PolarHBondContact O-N 3.32Å; F640-Y772 WeakPolarHBondContact CZ-O 3.49Å
641	S	92.2	Very high	87.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.			trans	-131.4	-12	-179.7	67.6	0	0	0	0	113.5	R618 H620 P693 Y768	R618-S641 PolarHBondContact O-N 3.41Å; H620-S641 WeakPolarHBondContact ND1-CB 3.49Å; H620-S641 PolarHBondContact ND1-OG 3.36Å; S641-P693 WeakPolarHBondContact O-CD 3.05Å; S641-P693 WeakPolarHBondContact O-CG 3.42Å; S641-Y768 VanDerWaalsContact CA-O 3.32Å; S641-Y768 WeakPolarHBondContact CA-O 3.42Å; S641-Y768 WeakPolarHBondContact CB-O 3.32Å
642	I	94.9	Very high	87.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.2	-176.3	-64	160.7	0	0	0	107.7	A617 R618 Y631 I679 N682 I729 L767	A617-I642 CarbonylContact C-O 3.59Å; A617-I642 VanDerWaalsContact CA-O 3.31Å; A617-I642 WeakPolarHBondContact CA-O 3.36Å; R618-I642 HydrophobicContact CB-CB 3.92Å; R618-I642 HydrophobicContact CB-CG2 4.06Å; R618-I642 PolarHBondContact N-O 3.34Å; R618-I642 PolarHBondContact O-N 3.42Å; R618-I642 VanDerWaalsContact O-O 3.12Å; Y631-I642 HydrophobicContact CD2-CD1 4.24Å; Y631-I642 HydrophobicContact CE2-CD1 4.19Å; I642-I679 HydrophobicContact CD1-CG1 4.5Å; I642-I679 HydrophobicContact CD1-CG2 4.43Å; I642-N682 WeakPolarHBondContact CA-OD1 3.34Å; I642-I729 HydrophobicContact CD1-CD1 4.28Å; I642-L767 HydrophobicContact CD1-CD1 3.87Å; I642-L767 HydrophobicContact CG1-CD1 3.86Å; I642-L767 HydrophobicContact CG1-CD2 4.04Å
643	V	94	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.3	166.7	170.8	0	0	0	0	109	L612 Q616 A617 F640 A648 N682 P693	L612-V643 HydrophobicContact CD2-CB 3.46Å; L612-V643 VanDerWaalsContact CD2-CB 3.46Å; L612-V643 HydrophobicContact CD2-CG1 3.31Å; L612-V643 HydrophobicContact CD2-CG2 4.39Å; Q616-V643 CarbonylContact O-C 3.49Å; Q616-V643 VanDerWaalsContact O-CA 3.31Å; Q616-V643 WeakPolarHBondContact O-CA 3.23Å; A617-V643 HydrophobicContact CB-CG2 4.48Å; F640-V643 HydrophobicContact CD2-CG2 4.4Å; F640-V643 HydrophobicContact CE2-CG2 4.41Å; V643-A648 HydrophobicContact CG1-CB 4.32Å; V643-N682 PolarHBondContact N-OD1 2.71Å; V643-N682 PolarHBondContact O-ND2 3.43Å; V643-N682 PolarHBondContact O-OD1 3.43Å; V643-P693 HydrophobicContact CB-CB 4.12Å; V643-P693 HydrophobicContact CB-CG 4.48Å; V643-P693 HydrophobicContact CG2-CB 3.69Å; V643-P693 HydrophobicContact CG2-CG 3.91Å
644	L	93.1	Very high	88.4	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.158	C	C	.	.			trans	-71.2	142.8	-177.2	-62.1	-176.7	0	0	0	111.3	Q616 R618 N646 D678	Q616-L644 HydrophobicContact CB-CB 4.19Å; Q616-L644 HydrophobicContact CB-CD1 4.21Å; Q616-L644 HydrophobicContact CB-CG 4.4Å; Q616-L644 PolarHBondContact O-N 2.66Å; R618-L644 HydrophobicContact CG-CD1 4.09Å; R618-L644 HydrophobicContact CG-CD2 3.87Å; R618-L644 HydrophobicContact CG-CG 3.84Å; L644-N646 VanDerWaalsContact CB-OD1 3.31Å; L644-N646 WeakPolarHBondContact CB-OD1 3.28Å; L644-N646 PolarHBondContact O-N 3.33Å; L644-N646 PolarHBondContact O-OD1 2.84Å; L644-D678 WeakPolarHBondContact CD2-OD2 3.22Å
645	L	93.8	Very high	89.1	Confident	4 Å²	4	27 Å²	27	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	40.3	-178.9	-64.5	176.5	0	0	0	112.5	R572 F573 A586 L612 A648 Y650 D678 F681	R572-L645 PolarHBondContact NH1-O 3.24Å; F573-L645 HydrophobicContact CE1-CD1 3.59Å; F573-L645 HydrophobicContact CE2-CD1 4.49Å; F573-L645 HydrophobicContact CZ-CD1 3.37Å; A586-L645 HydrophobicContact CB-CB 4.22Å; L612-L645 HydrophobicContact CD1-CD2 3.63Å; L612-L645 HydrophobicContact CD1-CG 4.46Å; L612-L645 HydrophobicContact CG-CD2 4.17Å; L645-A648 HydrophobicContact CD2-CB 3.83Å; L645-Y650 HydrophobicContact CD2-CD1 3.91Å; L645-Y650 HydrophobicContact CD2-CE1 4.04Å; L645-D678 HydrophobicContact CB-CB 4.37Å; L645-D678 HydrophobicContact CD1-CB 4.3Å; L645-D678 HydrophobicContact CG-CB 4.35Å; L645-F681 HydrophobicContact CD1-CB 3.71Å; L645-F681 HydrophobicContact CD1-CD1 3.57Å; L645-F681 HydrophobicContact CD1-CE1 4.27Å; L645-F681 HydrophobicContact CD1-CG 3.72Å; L645-F681 HydrophobicContact CD2-CD1 4.28Å
646	N	90.1	Very high	90	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-7.9	172.2	56	-1.7	0	0	0	112.2	A586 Y587 S588 L591 Q616 L644	A586-N646 CarbonylContact O-C 3.58Å; Y587-N646 CarbonylContact C-O 3.51Å; Y587-N646 WeakPolarHBondContact CA-O 3.42Å; S588-N646 PolarHBondContact N-O 3.23Å; L591-N646 WeakPolarHBondContact CD2-O 3.44Å; Q616-N646 PolarHBondContact OE1-ND2 3.16Å; Q616-N646 PolarHBondContact OE1-OD1 3.33Å; L644-N646 VanDerWaalsContact CB-OD1 3.31Å; L644-N646 WeakPolarHBondContact CB-OD1 3.28Å; L644-N646 PolarHBondContact O-N 3.33Å; L644-N646 PolarHBondContact O-OD1 2.84Å
647	G	93.6	Very high	91	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	73	170.7	0	0	0	0	0	109.6	A586 L591 G614 F615	A586-G647 VanDerWaalsContact O-CA 3.26Å; A586-G647 WeakPolarHBondContact O-CA 3.47Å; A586-G647 PolarHBondContact O-N 3.4Å; L591-G647 VanDerWaalsContact CD2-CA 3.45Å; G614-G647 VanDerWaalsContact CA-O 3.27Å; G614-G647 WeakPolarHBondContact CA-O 3.05Å; F615-G647 WeakPolarHBondContact CD2-O 3.09Å; F615-G647 PolarHBondContact N-O 2.56Å
648	A	96.7	Very high	92.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.3	-173.6	0	0	0	0	0	112.8	F585 A586 L612 V613 V643 L645	F585-A648 CarbonylContact C-O 3.37Å; F585-A648 WeakPolarHBondContact CA-O 3.47Å; A586-A648 PolarHBondContact N-O 2.99Å; A586-A648 PolarHBondContact O-N 3.36Å; L612-A648 HydrophobicContact CD2-CB 3.65Å; L612-A648 HydrophobicContact CG-CB 4.38Å; V613-A648 CarbonylContact O-C 3.54Å; V613-A648 VanDerWaalsContact O-CA 3.27Å; V613-A648 WeakPolarHBondContact O-CA 3.39Å; V643-A648 HydrophobicContact CG1-CB 4.32Å; L645-A648 HydrophobicContact CD2-CB 3.83Å
649	F	98.1	Very high	93.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140	169.2	-73.9	-82.5	0	0	0	111.5	F491 V584 F585 L598 A601 Y602 W605 L612 V613	F491-F649 HydrophobicContact CB-CD1 4.49Å; F491-F649 HydrophobicContact CB-CE1 3.78Å; F491-F649 AromaticContact CD1-CE1 3.76Å; F491-F649 HydrophobicContact CD1-CE1 3.76Å; F491-F649 HydrophobicContact CD1-CZ 4.02Å; F491-F649 AromaticContact CD2-CE1 3.91Å; F491-F649 HydrophobicContact CD2-CE1 3.91Å; F491-F649 HydrophobicContact CD2-CZ 4.33Å; F491-F649 HydrophobicContact CE1-CE1 4.28Å; F491-F649 HydrophobicContact CE1-CZ 4.08Å; F491-F649 HydrophobicContact CE2-CE1 4.42Å; F491-F649 HydrophobicContact CE2-CZ 4.39Å; F491-F649 AromaticContact CG-CE1 3.57Å; F491-F649 HydrophobicContact CG-CE1 3.57Å; F491-F649 HydrophobicContact CG-CZ 4.16Å; F491-F649 HydrophobicContact CZ-CZ 4.29Å; V584-F649 VanDerWaalsContact O-CA 3.32Å; V584-F649 WeakPolarHBondContact O-CA 3.4Å; F585-F649 HydrophobicContact CB-CD1 3.94Å; F585-F649 HydrophobicContact CB-CE1 3.57Å; F585-F649 HydrophobicContact CB-CZ 3.91Å; F585-F649 HydrophobicContact CD2-CD1 4.06Å; F585-F649 AromaticContact CD2-CD2 3.59Å; F585-F649 HydrophobicContact CD2-CD2 3.59Å; F585-F649 AromaticContact CD2-CE1 3.89Å; F585-F649 HydrophobicContact CD2-CE1 3.89Å; F585-F649 AromaticContact CD2-CE2 3.38Å; F585-F649 HydrophobicContact CD2-CE2 3.38Å; F585-F649 AromaticContact CD2-CG 3.92Å; F585-F649 HydrophobicContact CD2-CG 3.92Å; F585-F649 AromaticContact CD2-CZ 3.53Å; F585-F649 HydrophobicContact CD2-CZ 3.53Å; F585-F649 HydrophobicContact CE2-CD2 4.04Å; F585-F649 AromaticContact CE2-CE2 3.74Å; F585-F649 HydrophobicContact CE2-CE2 3.74Å; F585-F649 HydrophobicContact CE2-CZ 4.24Å; F585-F649 HydrophobicContact CG-CD1 4.42Å; F585-F649 AromaticContact CG-CE1 3.98Å; F585-F649 HydrophobicContact CG-CE1 3.98Å; F585-F649 HydrophobicContact CG-CE2 4.13Å; F585-F649 AromaticContact CG-CZ 3.79Å; F585-F649 HydrophobicContact CG-CZ 3.79Å; L598-F649 HydrophobicContact CD1-CE2 3.91Å; L598-F649 HydrophobicContact CD1-CZ 3.71Å; A601-F649 HydrophobicContact CB-CD2 3.89Å; A601-F649 HydrophobicContact CB-CE2 3.75Å; Y602-F649 HydrophobicContact CD2-CD1 4.19Å; Y602-F649 AromaticContact CD2-CE1 3.77Å; Y602-F649 HydrophobicContact CD2-CE1 3.77Å; Y602-F649 HydrophobicContact CD2-CZ 4.29Å; Y602-F649 HydrophobicContact CG-CE1 4.29Å; Y602-F649 HydrophobicContact CG-CZ 4.36Å; W605-F649 HydrophobicContact CB-CB 3.71Å; W605-F649 HydrophobicContact CB-CG 4.17Å; W605-F649 HydrophobicContact CD2-CB 4.4Å; W605-F649 HydrophobicContact CG-CB 3.58Å; W605-F649 HydrophobicContact CG-CG 4.36Å; L612-F649 WeakPolarHBondContact CA-O 3.27Å; V613-F649 HydrophobicContact CB-CB 4.44Å; V613-F649 PolarHBondContact N-O 3.41Å; V613-F649 PolarHBondContact O-N 2.84Å
650	Y	97.8	Very high	93.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	170.1	169.9	57.9	-97.3	0	0	0	110.1	V584 A586 L645 H655 F681	V584-Y650 HydrophobicContact CB-CD2 4.15Å; V584-Y650 HydrophobicContact CB-CE2 3.62Å; V584-Y650 HydrophobicContact CG1-CE1 4.38Å; V584-Y650 HydrophobicContact CG1-CE2 3.85Å; V584-Y650 WeakPolarHBondContact CG1-OH 3.4Å; V584-Y650 HydrophobicContact CG2-CE2 4.21Å; V584-Y650 PolarHBondContact N-O 3.19Å; V584-Y650 PolarHBondContact O-N 2.74Å; A586-Y650 HydrophobicContact CB-CE1 3.64Å; L645-Y650 HydrophobicContact CD2-CD1 3.91Å; L645-Y650 HydrophobicContact CD2-CE1 4.04Å; Y650-H655 AromaticContact CE2-CD2 3.54Å; Y650-H655 AromaticContact CE2-NE2 3.25Å; Y650-H655 WeakPolarHBondContact CE2-NE2 2.96Å; Y650-H655 AromaticContact CZ-NE2 3.5Å; Y650-H655 PolarHBondContact OH-NE2 3.28Å; Y650-F681 AromaticContact CD1-CE1 3.95Å; Y650-F681 HydrophobicContact CD1-CE1 3.95Å; Y650-F681 HydrophobicContact CD1-CZ 4.47Å; Y650-F681 AromaticContact CD2-CE1 3.9Å; Y650-F681 HydrophobicContact CD2-CE1 3.9Å; Y650-F681 AromaticContact CD2-CZ 3.76Å; Y650-F681 HydrophobicContact CD2-CZ 3.76Å; Y650-F681 HydrophobicContact CE1-CE1 4.21Å; Y650-F681 HydrophobicContact CE1-CZ 4.44Å; Y650-F681 HydrophobicContact CE2-CE1 4.2Å; Y650-F681 AromaticContact CE2-CZ 3.77Å; Y650-F681 HydrophobicContact CE2-CZ 3.77Å; Y650-F681 AromaticContact CG-CE1 3.77Å; Y650-F681 HydrophobicContact CG-CE1 3.77Å; Y650-F681 HydrophobicContact CG-CZ 4.13Å
651	H	96.3	Very high	92.9	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.1	179.2	-163.2	-81.3	0	0	0	112.5	D473 P475 Y479 L582 W605 Y653 Y654	D473-H651 PolarHBondContact O-CE1 3.11Å; P475-H651 HydrophobicContact CB-CB 3.85Å; Y479-H651 PolarHBondContact OH-CD2 3.49Å; Y479-H651 VanDerWaalsContact OH-CD2 3.24Å; Y479-H651 PolarHBondContact OH-NE2 2.94Å; L582-H651 CarbonylContact O-C 3.48Å; L582-H651 WeakPolarHBondContact O-CA 3.27Å; W605-H651 HydrophobicContact CZ2-CB 4.05Å; W605-H651 AromaticContact CZ2-CD2 3.94Å; H651-Y653 WeakPolarHBondContact ND1-CB 3.38Å; H651-Y653 PolarHBondContact ND1-N 2.83Å; H651-Y653 VanDerWaalsContact ND1-N 3.16Å; H651-Y653 PolarHBondContact O-N 2.98Å; H651-Y653 VanDerWaalsContact O-N 3.08Å; H651-Y654 HydrophobicContact CB-CD2 3.83Å; H651-Y654 HydrophobicContact CB-CE2 3.81Å; H651-Y654 WeakPolarHBondContact O-CB 3.38Å; H651-Y654 VanDerWaalsContact O-CD2 3.28Å; H651-Y654 WeakPolarHBondContact O-CD2 3.4Å; H651-Y654 PolarHBondContact O-N 2.99Å
652	R	94.8	Very high	92.7	Very high	52 Å²	52	13 Å²	13	20%	0.196	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-40.1	179.4	178.3	-180	67.8	-161.2	-6	113.2	D473 I579 P580 L582 V584 Y654 H655	D473-R652 IonicContact OD1-NH2 2.82Å; D473-R652 PolarHBondContact OD1-NH2 2.03Å; I579-R652 HydrophobicContact CB-CG 4.43Å; I579-R652 HydrophobicContact CG2-CG 4.06Å; I579-R652 PolarHBondContact O-NH1 3.12Å; P580-R652 PolarHBondContact O-NH1 2.95Å; L582-R652 WeakPolarHBondContact O-CB 3.41Å; L582-R652 PolarHBondContact O-N 3.17Å; V584-R652 HydrophobicContact CG2-CB 3.91Å; V584-R652 HydrophobicContact CG2-CG 4.47Å; R652-Y654 PolarHBondContact O-N 2.72Å; R652-H655 WeakPolarHBondContact O-CB 3.46Å; R652-H655 PolarHBondContact O-N 3.33Å
653	Y	93.3	Very high	92.2	Very high	6 Å²	6	15.5 Å²	15.5	2%	0.024	8%	0.077	C	C	.	.	H	α-helix	trans	-54.7	-24.7	-179.9	-163	-98	0	0	0	114	V463 S464 D473 V474 P475 H651 H655 H656 L657	V463-Y653 WeakPolarHBondContact CA-OH 3.1Å; V463-Y653 WeakPolarHBondContact CG1-OH 3.43Å; S464-Y653 PolarHBondContact N-OH 3.39Å; S464-Y653 VanDerWaalsContact N-OH 3.12Å; D473-Y653 WeakPolarHBondContact O-CD2 3.25Å; V474-Y653 HydrophobicContact CG1-CD2 4.23Å; V474-Y653 HydrophobicContact CG1-CE1 4.43Å; V474-Y653 HydrophobicContact CG1-CE2 3.95Å; P475-Y653 HydrophobicContact CG-CD1 4.22Å; H651-Y653 WeakPolarHBondContact ND1-CB 3.38Å; H651-Y653 PolarHBondContact ND1-N 2.83Å; H651-Y653 VanDerWaalsContact ND1-N 3.16Å; H651-Y653 PolarHBondContact O-N 2.98Å; H651-Y653 VanDerWaalsContact O-N 3.08Å; Y653-H655 PolarHBondContact O-N 2.94Å; Y653-H656 WeakPolarHBondContact O-CB 3.24Å; Y653-H656 PolarHBondContact O-N 3.43Å; Y653-L657 HydrophobicContact CD1-CD1 3.79Å; Y653-L657 HydrophobicContact CD1-CD2 4.36Å; Y653-L657 HydrophobicContact CD1-CG 3.75Å; Y653-L657 HydrophobicContact CE1-CD1 3.92Å; Y653-L657 HydrophobicContact CE1-CD2 3.76Å; Y653-L657 HydrophobicContact CE1-CG 3.67Å; Y653-L657 PolarHBondContact O-N 2.65Å; Y653-L657 VanDerWaalsContact O-N 3.14Å
654	Y	94.7	Very high	91.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-22.9	175.5	-68.8	-53.9	0	0	0	113.8	P475 N610 H651 R652 H656 L657 Y658 I685 T689	P475-Y654 HydrophobicContact CB-CE1 4.38Å; P475-Y654 HydrophobicContact CB-CE2 4.06Å; P475-Y654 HydrophobicContact CG-CE1 3.88Å; P475-Y654 HydrophobicContact CG-CE2 4.39Å; N610-Y654 PolarHBondContact O-OH 2.74Å; H651-Y654 HydrophobicContact CB-CD2 3.83Å; H651-Y654 HydrophobicContact CB-CE2 3.81Å; H651-Y654 WeakPolarHBondContact O-CB 3.38Å; H651-Y654 VanDerWaalsContact O-CD2 3.28Å; H651-Y654 WeakPolarHBondContact O-CD2 3.4Å; H651-Y654 PolarHBondContact O-N 2.99Å; R652-Y654 PolarHBondContact O-N 2.72Å; Y654-H656 VanDerWaalsContact C-N 3.32Å; Y654-L657 HydrophobicContact CD1-CD1 3.93Å; Y654-L657 HydrophobicContact CE1-CD1 4.13Å; Y654-L657 PolarHBondContact O-N 3.28Å; Y654-Y658 VanDerWaalsContact O-CB 3.27Å; Y654-Y658 WeakPolarHBondContact O-CB 3.37Å; Y654-Y658 PolarHBondContact O-N 2.9Å; Y654-I685 HydrophobicContact CD1-CG1 3.77Å; Y654-I685 HydrophobicContact CD2-CD1 3.66Å; Y654-I685 HydrophobicContact CD2-CG1 3.8Å; Y654-I685 HydrophobicContact CE1-CB 4.44Å; Y654-I685 HydrophobicContact CE1-CG1 3.88Å; Y654-I685 HydrophobicContact CE1-CG2 4.45Å; Y654-I685 HydrophobicContact CE2-CD1 3.87Å; Y654-I685 HydrophobicContact CE2-CG1 3.86Å; Y654-I685 HydrophobicContact CE2-CG2 4.22Å; Y654-I685 HydrophobicContact CG-CD1 4.03Å; Y654-I685 HydrophobicContact CG-CG1 3.76Å; Y654-T689 VanDerWaalsContact OH-CG2 3.24Å; Y654-T689 WeakPolarHBondContact OH-CG2 3.42Å
655	H	94.1	Very high	91.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-42	169.7	-73.9	-129.6	0	0	0	111.1	R572 F573 Q574 F576 Y650 R652 Y653 Y658 Q659	R572-H655 PolarHBondContact O-CE1 3.5Å; F573-H655 WeakPolarHBondContact O-CA 3.5Å; F573-H655 WeakPolarHBondContact O-CB 3.17Å; F573-H655 PolarHBondContact O-ND1 3.26Å; Q574-H655 PolarHBondContact O-ND1 3.23Å; F576-H655 AromaticContact CD2-ND1 3.99Å; Y650-H655 AromaticContact CE2-CD2 3.54Å; Y650-H655 AromaticContact CE2-NE2 3.25Å; Y650-H655 WeakPolarHBondContact CE2-NE2 2.96Å; Y650-H655 AromaticContact CZ-NE2 3.5Å; Y650-H655 PolarHBondContact OH-NE2 3.28Å; R652-H655 WeakPolarHBondContact O-CB 3.46Å; R652-H655 PolarHBondContact O-N 3.33Å; Y653-H655 PolarHBondContact O-N 2.94Å; H655-Y658 PolarHBondContact O-N 2.89Å; H655-Q659 PolarHBondContact O-N 3.27Å
656	H	90	Very high	91.5	Very high	32 Å²	32	26 Å²	26	15%	0.148	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-46.1	176.3	-62.8	-57.5	0	0	0	111.6	N467 P575 Y653 Y654 Y658 Q659 T660	N467-H656 PolarHBondContact ND2-CE1 2.75Å; N467-H656 PolarHBondContact ND2-ND1 3.38Å; P575-H656 WeakPolarHBondContact CB-CE1 3.41Å; P575-H656 WeakPolarHBondContact CB-ND1 3.46Å; Y653-H656 WeakPolarHBondContact O-CB 3.24Å; Y653-H656 PolarHBondContact O-N 3.43Å; Y654-H656 VanDerWaalsContact C-N 3.32Å; H656-Y658 VanDerWaalsContact C-N 3.3Å; H656-Y658 PolarHBondContact O-N 3.03Å; H656-Q659 PolarHBondContact O-N 2.96Å; H656-T660 WeakPolarHBondContact O-CB 3.11Å; H656-T660 WeakPolarHBondContact O-CG2 3.44Å; H656-T660 PolarHBondContact O-N 3.02Å; H656-T660 PolarHBondContact O-OG1 3.14Å
657	L	90.8	Very high	91.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-37.4	178	-66.5	-179.7	0	0	0	111.9	I462 Y653 Y654 Q659 T660 L661 L684 V688	I462-L657 HydrophobicContact CG2-CD1 4.28Å; I462-L657 HydrophobicContact CG2-CD2 3.72Å; Y653-L657 HydrophobicContact CD1-CD1 3.79Å; Y653-L657 HydrophobicContact CD1-CD2 4.36Å; Y653-L657 HydrophobicContact CD1-CG 3.75Å; Y653-L657 HydrophobicContact CE1-CD1 3.92Å; Y653-L657 HydrophobicContact CE1-CD2 3.76Å; Y653-L657 HydrophobicContact CE1-CG 3.67Å; Y653-L657 PolarHBondContact O-N 2.65Å; Y653-L657 VanDerWaalsContact O-N 3.14Å; Y654-L657 HydrophobicContact CD1-CD1 3.93Å; Y654-L657 HydrophobicContact CE1-CD1 4.13Å; Y654-L657 PolarHBondContact O-N 3.28Å; L657-Q659 VanDerWaalsContact C-N 3.27Å; L657-Q659 PolarHBondContact O-N 3.13Å; L657-T660 PolarHBondContact O-N 2.97Å; L657-L661 HydrophobicContact CD2-CB 4.48Å; L657-L661 WeakPolarHBondContact O-CA 3.26Å; L657-L661 WeakPolarHBondContact O-CB 3.4Å; L657-L661 PolarHBondContact O-N 2.99Å; L657-L684 HydrophobicContact CB-CD1 4.11Å; L657-L684 HydrophobicContact CB-CD2 4.21Å; L657-V688 HydrophobicContact CD1-CG1 4.18Å; L657-V688 HydrophobicContact CD1-CG2 4.26Å
658	Y	92.5	Very high	91.3	Very high	2 Å²	2	28 Å²	28	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-57.3	-43	175.5	-169.6	-93	0	0	0	111.4	S570 F573 Y654 H655 H656 L662 H667 L680 F681 L684	S570-Y658 PolarHBondContact OG-OH 3.15Å; F573-Y658 HydrophobicContact CB-CD1 3.73Å; F573-Y658 HydrophobicContact CB-CE1 4.1Å; F573-Y658 HydrophobicContact CB-CG 3.95Å; F573-Y658 HydrophobicContact CD2-CD1 4.27Å; F573-Y658 HydrophobicContact CD2-CD2 4.2Å; F573-Y658 AromaticContact CD2-CE1 3.91Å; F573-Y658 HydrophobicContact CD2-CE1 3.91Å; F573-Y658 AromaticContact CD2-CE2 3.83Å; F573-Y658 HydrophobicContact CD2-CE2 3.83Å; F573-Y658 HydrophobicContact CD2-CG 4.4Å; F573-Y658 AromaticContact CD2-CZ 3.67Å; F573-Y658 HydrophobicContact CE2-CE2 4.34Å; F573-Y658 HydrophobicContact CG-CD1 4.44Å; F573-Y658 HydrophobicContact CG-CE1 4.5Å; F573-Y658 HydrophobicContact CG-CG 4.48Å; Y654-Y658 VanDerWaalsContact O-CB 3.27Å; Y654-Y658 WeakPolarHBondContact O-CB 3.37Å; Y654-Y658 PolarHBondContact O-N 2.9Å; H655-Y658 PolarHBondContact O-N 2.89Å; H656-Y658 VanDerWaalsContact C-N 3.3Å; H656-Y658 PolarHBondContact O-N 3.03Å; Y658-L662 HydrophobicContact CD2-CD1 3.51Å; Y658-L662 HydrophobicContact CE2-CD1 3.73Å; Y658-L662 HydrophobicContact CG-CD1 4.02Å; Y658-H667 AromaticContact CD1-CE1 3.63Å; Y658-H667 AromaticContact CE1-CE1 3.44Å; Y658-H667 VanDerWaalsContact CE1-CE1 3.44Å; Y658-H667 WeakPolarHBondContact CE1-CE1 3.43Å; Y658-H667 AromaticContact CE1-ND1 3.58Å; Y658-H667 PolarHBondContact O-CE1 3.02Å; Y658-H667 PolarHBondContact O-NE2 2.86Å; Y658-L680 HydrophobicContact CE2-CB 4.41Å; Y658-L680 HydrophobicContact CE2-CD2 4Å; Y658-L680 HydrophobicContact CE2-CG 3.97Å; Y658-F681 AromaticContact CD2-CD2 3.65Å; Y658-F681 HydrophobicContact CD2-CD2 3.65Å; Y658-F681 HydrophobicContact CD2-CE2 4.35Å; Y658-F681 HydrophobicContact CE2-CD2 4.17Å; Y658-F681 HydrophobicContact CG-CD2 4.33Å; Y658-L684 HydrophobicContact CD2-CD2 4.01Å; Y658-L684 HydrophobicContact CG-CD2 4.39Å
659	Q	88.4	Confident	91.1	Very high	63 Å²	63	29 Å²	29	29%	0.294	13%	0.133	S	C	.	.	H	α-helix	trans	-79.2	-30.7	-179.6	-173.6	56.4	46.4	0	0	114.2	F558 H655 H656 L657	F558-Q659 VanDerWaalsContact CD1-CD 3.48Å; F558-Q659 HydrophobicContact CD1-CG 3.66Å; F558-Q659 HydrophobicContact CE1-CG 3.86Å; H655-Q659 PolarHBondContact O-N 3.27Å; H656-Q659 PolarHBondContact O-N 2.96Å; L657-Q659 VanDerWaalsContact C-N 3.27Å; L657-Q659 PolarHBondContact O-N 3.13Å
660	T	85.5	Confident	90.8	Very high	53 Å²	53	29 Å²	29	33%	0.325	13%	0.133	S	C	.	.	H	α-helix	trans	-107.4	-27.3	-166.4	57.2	0	0	0	0	114.3	H656 L657 Y741	H656-T660 WeakPolarHBondContact O-CB 3.11Å; H656-T660 WeakPolarHBondContact O-CG2 3.44Å; H656-T660 PolarHBondContact O-N 3.02Å; H656-T660 PolarHBondContact O-OG1 3.14Å; L657-T660 PolarHBondContact O-N 2.97Å; T660-Y741 WeakPolarHBondContact O-CE1 3.4Å
661	L	85.7	Confident	90.5	Very high	19 Å²	19	29.9 Å²	29.9	10%	0.099	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-34.8	-176.5	-174.7	66.7	0	0	0	112.6	I462 L657 L684 V688 V739 Y741	I462-L661 HydrophobicContact CG2-CD2 4.09Å; L657-L661 HydrophobicContact CD2-CB 4.48Å; L657-L661 WeakPolarHBondContact O-CA 3.26Å; L657-L661 WeakPolarHBondContact O-CB 3.4Å; L657-L661 PolarHBondContact O-N 2.99Å; L661-L684 HydrophobicContact CB-CD1 4.5Å; L661-L684 HydrophobicContact CD2-CD1 3.87Å; L661-V688 HydrophobicContact CD2-CG2 3.42Å; L661-V688 VanDerWaalsContact CD2-CG2 3.42Å; L661-V739 HydrophobicContact CD1-CG1 4.45Å; L661-Y741 HydrophobicContact CD1-CD1 4.31Å; L661-Y741 HydrophobicContact CD1-CG 4.43Å; L661-Y741 WeakPolarHBondContact O-CD1 3.46Å; L661-Y741 WeakPolarHBondContact O-CD2 3.25Å; L661-Y741 WeakPolarHBondContact O-CE1 3.23Å
662	L	88.4	Confident	90.1	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	17%	0.169	C	C	.	.	S	Bend	trans	-75	142.5	-177.7	-60	-179.3	0	0	0	111.1	Y658 L666 L680 L684 F736 Y741	Y658-L662 HydrophobicContact CD2-CD1 3.51Å; Y658-L662 HydrophobicContact CE2-CD1 3.73Å; Y658-L662 HydrophobicContact CG-CD1 4.02Å; L662-L666 HydrophobicContact CB-CD1 4.25Å; L662-L666 HydrophobicContact CD2-CD1 3.97Å; L662-L680 HydrophobicContact CD1-CD1 4.15Å; L662-L680 HydrophobicContact CD1-CD2 4.01Å; L662-L680 HydrophobicContact CD1-CG 3.88Å; L662-L684 HydrophobicContact CD1-CB 4.49Å; L662-L684 HydrophobicContact CD2-CB 4.31Å; L662-L684 HydrophobicContact CD2-CD1 3.82Å; L662-L684 HydrophobicContact CG-CD1 4.1Å; L662-F736 HydrophobicContact CD2-CE1 3.76Å; L662-F736 HydrophobicContact CD2-CZ 3.85Å; L662-Y741 PolarHBondContact O-OH 2.75Å
663	D	83.8	Confident	89.9	Confident	54 Å²	54	35.5 Å²	35.5	29%	0.289	17%	0.173	S	C	.	.			trans	-66.3	143.7	172.1	-172.5	-10.2	0	0	0	109.6	K665 L666 H667 Y741	D663-K665 PolarHBondContact O-N 3.13Å; D663-K665 VanDerWaalsContact O-N 3.14Å; D663-K665 PolarHBondContact OD1-N 3.45Å; D663-L666 WeakPolarHBondContact O-CB 3.48Å; D663-L666 PolarHBondContact O-N 2.84Å; D663-H667 PolarHBondContact O-CD2 3.49Å; D663-Y741 HydrophobicContact CB-CE2 4.4Å
664	R	85.8	Confident	89.6	Confident	117 Å²	117	38.9 Å²	38.9	44%	0.442	19%	0.191	S	C	.	.	H	α-helix	trans	-47.2	-40.5	170.8	-177.2	178.4	163.4	155.6	1.3	111.6	L560 L666 H667 E668	L560-R664 HydrophobicContact CD1-CG 4.37Å; R664-L666 VanDerWaalsContact C-N 3.27Å; R664-L666 PolarHBondContact O-N 3.03Å; R664-H667 WeakPolarHBondContact O-CB 3Å; R664-H667 PolarHBondContact O-N 3.39Å; R664-E668 HydrophobicContact CG-CG 4.22Å; R664-E668 WeakPolarHBondContact CG-OE1 3.25Å; R664-E668 IonicContact CZ-OE1 2.74Å; R664-E668 IonicContact NE-OE1 2.68Å; R664-E668 PolarHBondContact NE-OE1 3.05Å; R664-E668 IonicContact NH2-OE1 3.56Å; R664-E668 VanDerWaalsContact O-CG 3.31Å; R664-E668 WeakPolarHBondContact O-CG 3.47Å; R664-E668 PolarHBondContact O-N 3.04Å
665	K	88.8	Confident	89.4	Confident	108 Å²	108	39.9 Å²	39.9	47%	0.47	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-36.4	178.3	-66.9	-179.8	-177.7	173.8	0	113.6	D663 E668 I669	D663-K665 PolarHBondContact O-N 3.13Å; D663-K665 VanDerWaalsContact O-N 3.14Å; D663-K665 PolarHBondContact OD1-N 3.45Å; K665-E668 PolarHBondContact O-N 3.23Å; K665-I669 VanDerWaalsContact O-CG1 3.31Å; K665-I669 WeakPolarHBondContact O-CG1 2.97Å; K665-I669 PolarHBondContact O-N 3.16Å
666	L	91.7	Very high	89.4	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-40.3	177.4	-66.5	169.2	0	0	0	111.2	L662 D663 R664 E668 I669 V670 L680 F732 H735 F736	L662-L666 HydrophobicContact CB-CD1 4.25Å; L662-L666 HydrophobicContact CD2-CD1 3.97Å; D663-L666 WeakPolarHBondContact O-CB 3.48Å; D663-L666 PolarHBondContact O-N 2.84Å; R664-L666 VanDerWaalsContact C-N 3.27Å; R664-L666 PolarHBondContact O-N 3.03Å; L666-E668 VanDerWaalsContact C-N 3.34Å; L666-I669 PolarHBondContact O-N 3.08Å; L666-V670 PolarHBondContact O-N 3.12Å; L666-L680 HydrophobicContact CB-CD1 4.04Å; L666-L680 HydrophobicContact CB-CD2 3.99Å; L666-L680 HydrophobicContact CD1-CD1 4.2Å; L666-L680 HydrophobicContact CD2-CD1 4.17Å; L666-L680 HydrophobicContact CG-CD1 4.38Å; L666-F732 HydrophobicContact CD2-CB 4.42Å; L666-F732 HydrophobicContact CD2-CD1 3.6Å; L666-F732 HydrophobicContact CD2-CE1 4.33Å; L666-F732 HydrophobicContact CD2-CG 4.35Å; L666-H735 HydrophobicContact CD2-CB 3.71Å; L666-H735 HydrophobicContact CG-CB 4.26Å; L666-F736 HydrophobicContact CD1-CD1 4.38Å; L666-F736 HydrophobicContact CD1-CD2 4.31Å; L666-F736 HydrophobicContact CD1-CE1 4.09Å; L666-F736 HydrophobicContact CD1-CE2 3.99Å; L666-F736 HydrophobicContact CD1-CG 4.48Å; L666-F736 HydrophobicContact CD1-CZ 3.88Å; L666-F736 HydrophobicContact CD2-CD2 4.16Å; L666-F736 HydrophobicContact CD2-CE2 4.05Å
667	H	91.2	Very high	89.6	Confident	19 Å²	19	38.4 Å²	38.4	9%	0.088	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-38.4	172.7	-63.2	-74.5	0	0	0	112.1	L560 Y658 D663 R664 V670 N671	L560-H667 HydrophobicContact CD1-CB 4.02Å; Y658-H667 AromaticContact CD1-CE1 3.63Å; Y658-H667 AromaticContact CE1-CE1 3.44Å; Y658-H667 VanDerWaalsContact CE1-CE1 3.44Å; Y658-H667 WeakPolarHBondContact CE1-CE1 3.43Å; Y658-H667 AromaticContact CE1-ND1 3.58Å; Y658-H667 PolarHBondContact O-CE1 3.02Å; Y658-H667 PolarHBondContact O-NE2 2.86Å; D663-H667 PolarHBondContact O-CD2 3.49Å; R664-H667 WeakPolarHBondContact O-CB 3Å; R664-H667 PolarHBondContact O-N 3.39Å; H667-V670 PolarHBondContact O-N 3.06Å; H667-N671 PolarHBondContact O-N 2.61Å; H667-N671 PolarHBondContact O-ND2 2.95Å; H667-N671 PolarHBondContact O-OD1 3.33Å
668	E	89.9	Confident	89.8	Confident	49 Å²	49	38.9 Å²	38.9	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-42.9	177.3	-67.2	179	176.3	0	0	111.8	L560 Y562 R664 K665 L666 V670 N671 V672	L560-E668 HydrophobicContact CD1-CG 4.04Å; Y562-E668 HydrophobicContact CE2-CG 4.12Å; Y562-E668 WeakPolarHBondContact OH-CG 3.32Å; Y562-E668 PolarHBondContact OH-OE1 3.26Å; R664-E668 HydrophobicContact CG-CG 4.22Å; R664-E668 WeakPolarHBondContact CG-OE1 3.25Å; R664-E668 IonicContact CZ-OE1 2.74Å; R664-E668 IonicContact NE-OE1 2.68Å; R664-E668 PolarHBondContact NE-OE1 3.05Å; R664-E668 IonicContact NH2-OE1 3.56Å; R664-E668 VanDerWaalsContact O-CG 3.31Å; R664-E668 WeakPolarHBondContact O-CG 3.47Å; R664-E668 PolarHBondContact O-N 3.04Å; K665-E668 PolarHBondContact O-N 3.23Å; L666-E668 VanDerWaalsContact C-N 3.34Å; E668-V670 VanDerWaalsContact C-N 3.35Å; E668-V670 PolarHBondContact O-N 3.4Å; E668-N671 PolarHBondContact O-N 2.87Å; E668-V672 VanDerWaalsContact O-CG2 3.3Å; E668-V672 WeakPolarHBondContact O-CG2 3.47Å; E668-V672 PolarHBondContact O-N 2.94Å
669	I	91.7	Very high	90	Very high	22 Å²	22	38.8 Å²	38.8	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-56	-49.9	174.7	-70.6	160.9	0	0	0	110.7	K665 L666 N671 V672 F673 A731 F732	K665-I669 VanDerWaalsContact O-CG1 3.31Å; K665-I669 WeakPolarHBondContact O-CG1 2.97Å; K665-I669 PolarHBondContact O-N 3.16Å; L666-I669 PolarHBondContact O-N 3.08Å; I669-N671 VanDerWaalsContact C-N 3.3Å; I669-N671 PolarHBondContact O-N 2.79Å; I669-V672 PolarHBondContact O-N 3.2Å; I669-F673 HydrophobicContact CG2-CD2 3.71Å; I669-F673 HydrophobicContact CG2-CE2 3.88Å; I669-F673 VanDerWaalsContact O-CD2 3.25Å; I669-F673 WeakPolarHBondContact O-CD2 3.14Å; I669-F673 PolarHBondContact O-N 3.43Å; I669-A731 HydrophobicContact CD1-CB 3.79Å; I669-A731 HydrophobicContact CG1-CB 4.37Å; I669-A731 HydrophobicContact CG2-CB 4.23Å; I669-F732 HydrophobicContact CB-CE1 4.13Å; I669-F732 HydrophobicContact CD1-CD1 4.34Å; I669-F732 HydrophobicContact CG2-CD1 4.25Å; I669-F732 HydrophobicContact CG2-CE1 3.62Å; I669-F732 HydrophobicContact CG2-CZ 4.33Å
670	V	92.6	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-38.9	178.9	170.3	0	0	0	0	111.8	P569 S570 L666 H667 E668 N674 N675 E677 L680 F732	P569-V670 HydrophobicContact CG-CG1 4.08Å; S570-V670 WeakPolarHBondContact OG-CG1 3.08Å; L666-V670 PolarHBondContact O-N 3.12Å; H667-V670 PolarHBondContact O-N 3.06Å; E668-V670 VanDerWaalsContact C-N 3.35Å; E668-V670 PolarHBondContact O-N 3.4Å; V670-N674 VanDerWaalsContact O-CA 3.23Å; V670-N674 WeakPolarHBondContact O-CA 3.01Å; V670-N674 PolarHBondContact O-N 3.02Å; V670-N675 PolarHBondContact O-N 3.26Å; V670-E677 HydrophobicContact CG1-CB 3.65Å; V670-L680 HydrophobicContact CG2-CB 4.22Å; V670-L680 HydrophobicContact CG2-CD2 3.64Å; V670-F732 HydrophobicContact CG2-CE1 4.24Å; V670-F732 HydrophobicContact CG2-CZ 3.9Å
671	N	89.9	Confident	90.9	Very high	18 Å²	18	33.2 Å²	33.2	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-41.8	178.1	-67.3	-15.1	0	0	0	112.3	S568 H667 E668 I669 N674	S568-N671 WeakPolarHBondContact CB-OD1 3.4Å; S568-N671 PolarHBondContact OG-OD1 3.33Å; H667-N671 PolarHBondContact O-N 2.61Å; H667-N671 PolarHBondContact O-ND2 2.95Å; H667-N671 PolarHBondContact O-OD1 3.33Å; E668-N671 PolarHBondContact O-N 2.87Å; I669-N671 VanDerWaalsContact C-N 3.3Å; I669-N671 PolarHBondContact O-N 2.79Å; N671-N674 PolarHBondContact O-N 3.29Å
672	V	89.5	Confident	91.5	Very high	111 Å²	111	32.4 Å²	32.4	67%	0.673	16%	0.158	S	C	*	.	H	α-helix	trans	-66	-45	179.5	169.2	0	0	0	0	111.1	E668 I669 N674	E668-V672 VanDerWaalsContact O-CG2 3.3Å; E668-V672 WeakPolarHBondContact O-CG2 3.47Å; E668-V672 PolarHBondContact O-N 2.94Å; I669-V672 PolarHBondContact O-N 3.2Å; V672-N674 VanDerWaalsContact C-N 3.3Å
673	F	89	Confident	91.8	Very high	61 Å²	61	32.1 Å²	32.1	27%	0.268	16%	0.156	S	C	.	.	H	α-helix	trans	-77.9	-16.4	176.8	-72.3	-65.1	0	0	0	113.3	I669 N675 L727 C728	I669-F673 HydrophobicContact CG2-CD2 3.71Å; I669-F673 HydrophobicContact CG2-CE2 3.88Å; I669-F673 VanDerWaalsContact O-CD2 3.25Å; I669-F673 WeakPolarHBondContact O-CD2 3.14Å; I669-F673 PolarHBondContact O-N 3.43Å; F673-N675 HydrophobicContact CB-CB 4.46Å; F673-N675 PolarHBondContact O-N 3.03Å; F673-N675 VanDerWaalsContact O-N 3.16Å; F673-L727 HydrophobicContact CE1-CB 4.36Å; F673-L727 HydrophobicContact CE1-CD1 4.24Å; F673-L727 HydrophobicContact CZ-CB 3.98Å; F673-L727 HydrophobicContact CZ-CD1 4.42Å; F673-C728 VanDerWaalsContact CD2-SG 3.59Å
674	N	88.6	Confident	92.3	Very high	77 Å²	77	29.5 Å²	29.5	41%	0.412	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	36.5	-171.6	-163.6	52.5	0	0	0	112.4	I567 P569 V670 N671 V672	I567-N674 PolarHBondContact O-OD1 3.44Å; P569-N674 VanDerWaalsContact CD-OD1 3.28Å; P569-N674 WeakPolarHBondContact CD-OD1 3.25Å; V670-N674 VanDerWaalsContact O-CA 3.23Å; V670-N674 WeakPolarHBondContact O-CA 3.01Å; V670-N674 PolarHBondContact O-N 3.02Å; N671-N674 PolarHBondContact O-N 3.29Å; V672-N674 VanDerWaalsContact C-N 3.3Å
675	N	89.7	Confident	92.8	Very high	20 Å²	20	24.2 Å²	24.2	11%	0.107	12%	0.123	C	C	.	.			trans	-161.9	179.6	-172.3	-162.6	-19.4	0	0	0	108.6	V670 F673 E677 R725	V670-N675 PolarHBondContact O-N 3.26Å; F673-N675 HydrophobicContact CB-CB 4.46Å; F673-N675 PolarHBondContact O-N 3.03Å; F673-N675 VanDerWaalsContact O-N 3.16Å; N675-E677 PolarHBondContact O-N 3.48Å; N675-R725 PolarHBondContact OD1-NE 3.36Å; N675-R725 VanDerWaalsContact OD1-NE 3.16Å; N675-R725 PolarHBondContact OD1-NH2 3.11Å; N675-R725 VanDerWaalsContact OD1-NH2 3.16Å
676	C	94.3	Very high	92.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.			trans	69.7	8.8	172.3	-46.8	0	0	0	0	115.7	D678 I679 L680 C728 F732	C676-D678 PolarHBondContact O-N 2.96Å; C676-I679 HydrophobicContact CB-CD1 4.43Å; C676-I679 PolarHBondContact O-N 3.34Å; C676-L680 PolarHBondContact O-N 3.47Å; C676-C728 HydrophobicContact CB-CB 3.38Å; C676-C728 WeakPolarHBondContact CB-SG 3.43Å; C676-C728 WeakPolarHBondContact SG-CB 3.27Å; C676-C728 CovalentContact SG-SG 2.02Å; C676-C728 PolarHBondContact SG-SG 2.85Å; C676-F732 HydrophobicContact CB-CE2 4.17Å; C676-F732 HydrophobicContact CB-CZ 4.02Å
677	E	94.1	Very high	92.7	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-32.9	175.9	80	-69.2	171.9	0	0	111.7	R498 P569 R572 F573 V670 N675 F681	R498-E677 IonicContact CZ-OE1 3.54Å; R498-E677 IonicContact NH1-OE1 3.13Å; R498-E677 IonicContact NH2-OE1 3.87Å; R498-E677 PolarHBondContact NH2-OE1 3Å; P569-E677 HydrophobicContact CB-CB 4.43Å; P569-E677 HydrophobicContact CB-CG 3.91Å; P569-E677 HydrophobicContact CG-CB 4.27Å; P569-E677 HydrophobicContact CG-CG 4.26Å; R572-E677 IonicContact CZ-OE1 3.79Å; R572-E677 IonicContact NE-OE1 3.21Å; R572-E677 IonicContact NH2-OE1 3.41Å; R572-E677 PolarHBondContact NH2-OE1 3.01Å; F573-E677 HydrophobicContact CE2-CB 3.87Å; F573-E677 HydrophobicContact CE2-CG 3.65Å; F573-E677 HydrophobicContact CZ-CG 4.16Å; V670-E677 HydrophobicContact CG1-CB 3.65Å; N675-E677 PolarHBondContact O-N 3.48Å; E677-F681 WeakPolarHBondContact O-CB 3.48Å; E677-F681 PolarHBondContact O-N 3.06Å
678	D	94.6	Very high	92.6	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.053	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-41.6	174.8	54.2	-7.1	0	0	0	112.5	L644 L645 C676 F681 N682 R725	L644-D678 WeakPolarHBondContact CD2-OD2 3.22Å; L645-D678 HydrophobicContact CB-CB 4.37Å; L645-D678 HydrophobicContact CD1-CB 4.3Å; L645-D678 HydrophobicContact CG-CB 4.35Å; C676-D678 PolarHBondContact O-N 2.96Å; D678-F681 PolarHBondContact O-N 3.19Å; D678-N682 PolarHBondContact O-N 2.03Å; D678-N682 PolarHBondContact O-ND2 3.24Å; D678-R725 VanDerWaalsContact CG-NH2 3.34Å; D678-R725 IonicContact OD1-CZ 3.51Å; D678-R725 IonicContact OD1-NH2 3.97Å; D678-R725 PolarHBondContact OD1-NH2 3.43Å; D678-R725 VanDerWaalsContact OD1-NH2 3.15Å; D678-R725 IonicContact OD2-CZ 3.58Å; D678-R725 IonicContact OD2-NH1 2.63Å; D678-R725 PolarHBondContact OD2-NH1 2.92Å; D678-R725 IonicContact OD2-NH2 3.05Å; D678-R725 PolarHBondContact OD2-NH2 2.83Å
679	I	96.6	Very high	92.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-45	174	-60.8	174.6	0	0	0	109.7	Y631 I642 C676 F681 N682 C683 R725 I729 F732	Y631-I679 HydrophobicContact CD2-CD1 4.18Å; Y631-I679 HydrophobicContact CE2-CD1 4.19Å; I642-I679 HydrophobicContact CD1-CG1 4.5Å; I642-I679 HydrophobicContact CD1-CG2 4.43Å; C676-I679 HydrophobicContact CB-CD1 4.43Å; C676-I679 PolarHBondContact O-N 3.34Å; I679-F681 VanDerWaalsContact C-N 3.29Å; I679-F681 PolarHBondContact O-N 3.21Å; I679-N682 WeakPolarHBondContact O-CB 3.11Å; I679-N682 PolarHBondContact O-N 3.28Å; I679-C683 PolarHBondContact O-N 2.86Å; I679-C683 PolarHBondContact O-SG 3.44Å; I679-R725 HydrophobicContact CD1-CB 3.91Å; I679-R725 HydrophobicContact CD1-CG 3.89Å; I679-I729 HydrophobicContact CD1-CD1 4.44Å; I679-I729 HydrophobicContact CD1-CG1 4.29Å; I679-I729 HydrophobicContact CG2-CD1 4.48Å; I679-I729 HydrophobicContact CG2-CG1 3.82Å; I679-F732 HydrophobicContact CB-CE2 4.12Å; I679-F732 HydrophobicContact CG2-CD2 4.01Å; I679-F732 HydrophobicContact CG2-CE2 3.88Å
680	L	96.8	Very high	92.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-39.3	177.6	-176.1	56.1	0	0	0	111.6	Y658 L662 L666 V670 C676 C683 L684 F732 F736	Y658-L680 HydrophobicContact CE2-CB 4.41Å; Y658-L680 HydrophobicContact CE2-CD2 4Å; Y658-L680 HydrophobicContact CE2-CG 3.97Å; L662-L680 HydrophobicContact CD1-CD1 4.15Å; L662-L680 HydrophobicContact CD1-CD2 4.01Å; L662-L680 HydrophobicContact CD1-CG 3.88Å; L666-L680 HydrophobicContact CB-CD1 4.04Å; L666-L680 HydrophobicContact CB-CD2 3.99Å; L666-L680 HydrophobicContact CD1-CD1 4.2Å; L666-L680 HydrophobicContact CD2-CD1 4.17Å; L666-L680 HydrophobicContact CG-CD1 4.38Å; V670-L680 HydrophobicContact CG2-CB 4.22Å; V670-L680 HydrophobicContact CG2-CD2 3.64Å; C676-L680 PolarHBondContact O-N 3.47Å; L680-C683 WeakPolarHBondContact O-CB 3.4Å; L680-C683 PolarHBondContact O-N 3.46Å; L680-L684 PolarHBondContact O-N 3.29Å; L680-F732 HydrophobicContact CB-CE1 4.34Å; L680-F732 HydrophobicContact CB-CE2 3.84Å; L680-F732 HydrophobicContact CB-CZ 3.7Å; L680-F732 HydrophobicContact CD1-CD1 4.17Å; L680-F732 HydrophobicContact CD1-CE1 4.07Å; L680-F732 HydrophobicContact CD1-CE2 4.42Å; L680-F732 HydrophobicContact CD1-CG 4.39Å; L680-F732 HydrophobicContact CD1-CZ 4.21Å; L680-F732 HydrophobicContact CD2-CE1 4.38Å; L680-F732 HydrophobicContact CD2-CZ 4.43Å; L680-F732 HydrophobicContact CG-CE1 4.5Å; L680-F732 HydrophobicContact CG-CZ 4.33Å; L680-F736 HydrophobicContact CD1-CE2 3.73Å; L680-F736 HydrophobicContact CD1-CZ 3.71Å
681	F	97.3	Very high	92	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-37.2	176.5	-160.2	-93.1	0	0	0	112.6	F573 L645 Y650 Y658 E677 D678 I679 L684 I685	F573-F681 HydrophobicContact CB-CD2 4.45Å; F573-F681 HydrophobicContact CB-CE2 4.27Å; F573-F681 AromaticContact CD1-CD2 3.67Å; F573-F681 HydrophobicContact CD1-CD2 3.67Å; F573-F681 AromaticContact CD1-CE2 3.56Å; F573-F681 HydrophobicContact CD1-CE2 3.56Å; F573-F681 HydrophobicContact CD1-CG 4.47Å; F573-F681 HydrophobicContact CD1-CZ 4.26Å; F573-F681 AromaticContact CD2-CD2 3.92Å; F573-F681 HydrophobicContact CD2-CD2 3.92Å; F573-F681 HydrophobicContact CD2-CE2 4.5Å; F573-F681 AromaticContact CE1-CD2 3.81Å; F573-F681 HydrophobicContact CE1-CD2 3.81Å; F573-F681 HydrophobicContact CE1-CE2 4Å; F573-F681 HydrophobicContact CE1-CG 4.17Å; F573-F681 HydrophobicContact CE1-CZ 4.48Å; F573-F681 HydrophobicContact CE2-CB 4.21Å; F573-F681 HydrophobicContact CE2-CD2 4.02Å; F573-F681 HydrophobicContact CE2-CG 4.4Å; F573-F681 AromaticContact CG-CD2 3.75Å; F573-F681 HydrophobicContact CG-CD2 3.75Å; F573-F681 AromaticContact CG-CE2 3.86Å; F573-F681 HydrophobicContact CG-CE2 3.86Å; F573-F681 HydrophobicContact CZ-CB 4.15Å; F573-F681 AromaticContact CZ-CD2 3.98Å; F573-F681 HydrophobicContact CZ-CD2 3.98Å; F573-F681 HydrophobicContact CZ-CG 4.13Å; L645-F681 HydrophobicContact CD1-CB 3.71Å; L645-F681 HydrophobicContact CD1-CD1 3.57Å; L645-F681 HydrophobicContact CD1-CE1 4.27Å; L645-F681 HydrophobicContact CD1-CG 3.72Å; L645-F681 HydrophobicContact CD2-CD1 4.28Å; Y650-F681 AromaticContact CD1-CE1 3.95Å; Y650-F681 HydrophobicContact CD1-CE1 3.95Å; Y650-F681 HydrophobicContact CD1-CZ 4.47Å; Y650-F681 AromaticContact CD2-CE1 3.9Å; Y650-F681 HydrophobicContact CD2-CE1 3.9Å; Y650-F681 AromaticContact CD2-CZ 3.76Å; Y650-F681 HydrophobicContact CD2-CZ 3.76Å; Y650-F681 HydrophobicContact CE1-CE1 4.21Å; Y650-F681 HydrophobicContact CE1-CZ 4.44Å; Y650-F681 HydrophobicContact CE2-CE1 4.2Å; Y650-F681 AromaticContact CE2-CZ 3.77Å; Y650-F681 HydrophobicContact CE2-CZ 3.77Å; Y650-F681 AromaticContact CG-CE1 3.77Å; Y650-F681 HydrophobicContact CG-CE1 3.77Å; Y650-F681 HydrophobicContact CG-CZ 4.13Å; Y658-F681 AromaticContact CD2-CD2 3.65Å; Y658-F681 HydrophobicContact CD2-CD2 3.65Å; Y658-F681 HydrophobicContact CD2-CE2 4.35Å; Y658-F681 HydrophobicContact CE2-CD2 4.17Å; Y658-F681 HydrophobicContact CG-CD2 4.33Å; E677-F681 WeakPolarHBondContact O-CB 3.48Å; E677-F681 PolarHBondContact O-N 3.06Å; D678-F681 PolarHBondContact O-N 3.19Å; I679-F681 VanDerWaalsContact C-N 3.29Å; I679-F681 PolarHBondContact O-N 3.21Å; F681-L684 WeakPolarHBondContact O-CB 3.31Å; F681-L684 PolarHBondContact O-N 3.33Å; F681-I685 HydrophobicContact CD1-CD1 3.71Å; F681-I685 HydrophobicContact CD1-CG1 4.32Å; F681-I685 HydrophobicContact CE1-CD1 3.47Å; F681-I685 VanDerWaalsContact CE1-CD1 3.47Å; F681-I685 HydrophobicContact CE1-CG1 4.26Å; F681-I685 HydrophobicContact CZ-CD1 4.41Å; F681-I685 WeakPolarHBondContact O-CG1 3.3Å; F681-I685 PolarHBondContact O-N 3.49Å; F681-I685 VanDerWaalsContact O-N 3.09Å
682	N	97.1	Very high	92.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-46.7	169.9	-83.5	-99.8	0	0	0	110.8	I642 V643 D678 I679 L684 I685 S686 L767	I642-N682 WeakPolarHBondContact CA-OD1 3.34Å; V643-N682 PolarHBondContact N-OD1 2.71Å; V643-N682 PolarHBondContact O-ND2 3.43Å; V643-N682 PolarHBondContact O-OD1 3.43Å; D678-N682 PolarHBondContact O-N 2.03Å; D678-N682 PolarHBondContact O-ND2 3.24Å; I679-N682 WeakPolarHBondContact O-CB 3.11Å; I679-N682 PolarHBondContact O-N 3.28Å; N682-L684 VanDerWaalsContact C-N 3.31Å; N682-L684 PolarHBondContact O-N 2.98Å; N682-I685 PolarHBondContact O-N 3.44Å; N682-S686 WeakPolarHBondContact O-CB 3.27Å; N682-S686 PolarHBondContact O-N 2.97Å; N682-L767 HydrophobicContact CB-CD2 3.94Å
683	C	95.3	Very high	92.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.7	-44.7	176.3	-67.1	0	0	0	0	111.2	I679 L680 H687 F736 P766	I679-C683 PolarHBondContact O-N 2.86Å; I679-C683 PolarHBondContact O-SG 3.44Å; L680-C683 WeakPolarHBondContact O-CB 3.4Å; L680-C683 PolarHBondContact O-N 3.46Å; C683-H687 WeakPolarHBondContact O-CA 3.32Å; C683-H687 WeakPolarHBondContact O-CB 3.18Å; C683-H687 PolarHBondContact O-N 2.85Å; C683-F736 HydrophobicContact CB-CE2 3.55Å; C683-F736 HydrophobicContact CB-CZ 3.56Å; C683-P766 HydrophobicContact CB-CG 3.86Å; C683-P766 WeakPolarHBondContact O-CG 3.43Å
684	L	94.4	Very high	92.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.7	-54.2	176.4	171	68.7	0	0	0	112.2	L657 Y658 L661 L662 L680 F681 N682 S686 H687 V688	L657-L684 HydrophobicContact CB-CD1 4.11Å; L657-L684 HydrophobicContact CB-CD2 4.21Å; Y658-L684 HydrophobicContact CD2-CD2 4.01Å; Y658-L684 HydrophobicContact CG-CD2 4.39Å; L661-L684 HydrophobicContact CB-CD1 4.5Å; L661-L684 HydrophobicContact CD2-CD1 3.87Å; L662-L684 HydrophobicContact CD1-CB 4.49Å; L662-L684 HydrophobicContact CD2-CB 4.31Å; L662-L684 HydrophobicContact CD2-CD1 3.82Å; L662-L684 HydrophobicContact CG-CD1 4.1Å; L680-L684 PolarHBondContact O-N 3.29Å; F681-L684 WeakPolarHBondContact O-CB 3.31Å; F681-L684 PolarHBondContact O-N 3.33Å; N682-L684 VanDerWaalsContact C-N 3.31Å; N682-L684 PolarHBondContact O-N 2.98Å; L684-S686 PolarHBondContact O-N 3.27Å; L684-H687 WeakPolarHBondContact O-CB 3.45Å; L684-H687 PolarHBondContact O-N 2.91Å; L684-V688 HydrophobicContact CD1-CG2 4.14Å; L684-V688 VanDerWaalsContact O-CG2 3.31Å; L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 3.46Å
685	I	94.9	Very high	92.9	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-47.8	-176.4	-68.5	178.3	0	0	0	109.9	L612 Y654 F681 N682 H687 V688 T689	L612-I685 HydrophobicContact CB-CD1 4.04Å; L612-I685 HydrophobicContact CD1-CD1 4.3Å; L612-I685 HydrophobicContact CG-CD1 4.5Å; Y654-I685 HydrophobicContact CD1-CG1 3.77Å; Y654-I685 HydrophobicContact CD2-CD1 3.66Å; Y654-I685 HydrophobicContact CD2-CG1 3.8Å; Y654-I685 HydrophobicContact CE1-CB 4.44Å; Y654-I685 HydrophobicContact CE1-CG1 3.88Å; Y654-I685 HydrophobicContact CE1-CG2 4.45Å; Y654-I685 HydrophobicContact CE2-CD1 3.87Å; Y654-I685 HydrophobicContact CE2-CG1 3.86Å; Y654-I685 HydrophobicContact CE2-CG2 4.22Å; Y654-I685 HydrophobicContact CG-CD1 4.03Å; Y654-I685 HydrophobicContact CG-CG1 3.76Å; F681-I685 HydrophobicContact CD1-CD1 3.71Å; F681-I685 HydrophobicContact CD1-CG1 4.32Å; F681-I685 HydrophobicContact CE1-CD1 3.47Å; F681-I685 VanDerWaalsContact CE1-CD1 3.47Å; F681-I685 HydrophobicContact CE1-CG1 4.26Å; F681-I685 HydrophobicContact CZ-CD1 4.41Å; F681-I685 WeakPolarHBondContact O-CG1 3.3Å; F681-I685 PolarHBondContact O-N 3.49Å; F681-I685 VanDerWaalsContact O-N 3.09Å; N682-I685 PolarHBondContact O-N 3.44Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.36Å; I685-V688 PolarHBondContact O-N 3.11Å; I685-T689 HydrophobicContact CG2-CG2 4.49Å; I685-T689 WeakPolarHBondContact O-CB 3.38Å; I685-T689 WeakPolarHBondContact O-CG2 3.4Å; I685-T689 PolarHBondContact O-N 2.87Å; I685-T689 PolarHBondContact O-OG1 3.1Å
686	S	92.1	Very high	92.9	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-66	-35.4	178.9	-77.9	0	0	0	0	112.1	N682 L684 S690 L691 P766 Y768	N682-S686 WeakPolarHBondContact O-CB 3.27Å; N682-S686 PolarHBondContact O-N 2.97Å; L684-S686 PolarHBondContact O-N 3.27Å; S686-S690 WeakPolarHBondContact O-CA 3.18Å; S686-S690 PolarHBondContact O-N 2.68Å; S686-L691 WeakPolarHBondContact CA-O 3.14Å; S686-L691 WeakPolarHBondContact CB-O 3.34Å; S686-L691 PolarHBondContact OG-O 2.94Å; S686-P766 WeakPolarHBondContact CB-O 3.45Å; S686-Y768 WeakPolarHBondContact O-CE2 3.37Å
687	H	88.2	Confident	92.3	Very high	12 Å²	12	14 Å²	14	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174.4	-179.1	62.4	0	0	0	112.1	C683 L684 I685 F736 I737 V739 Y764 P766	C683-H687 WeakPolarHBondContact O-CA 3.32Å; C683-H687 WeakPolarHBondContact O-CB 3.18Å; C683-H687 PolarHBondContact O-N 2.85Å; L684-H687 WeakPolarHBondContact O-CB 3.45Å; L684-H687 PolarHBondContact O-N 2.91Å; I685-H687 VanDerWaalsContact C-N 3.33Å; I685-H687 PolarHBondContact O-N 3.36Å; H687-F736 HydrophobicContact CB-CE1 4.46Å; H687-I737 PolarHBondContact CE1-O 3.19Å; H687-I737 VanDerWaalsContact CE1-O 3.25Å; H687-V739 WeakPolarHBondContact NE2-CG1 3.49Å; H687-Y764 AromaticContact CE1-CE1 3.66Å; H687-Y764 AromaticContact ND1-CE1 3.4Å; H687-Y764 WeakPolarHBondContact ND1-CE1 3.42Å; H687-Y764 AromaticContact ND1-CZ 3.74Å; H687-Y764 PolarHBondContact ND1-OH 3.47Å; H687-Y764 VanDerWaalsContact ND1-OH 3.16Å; H687-P766 HydrophobicContact CB-CB 3.62Å; H687-P766 HydrophobicContact CB-CG 3.86Å
688	V	88	Confident	91	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-74.2	-34.1	-176.6	174.2	0	0	0	0	112.2	P458 I462 L657 L661 L684 I685	P458-V688 HydrophobicContact CB-CG1 3.46Å; P458-V688 VanDerWaalsContact CB-CG1 3.46Å; P458-V688 HydrophobicContact CG-CG1 3.65Å; I462-V688 HydrophobicContact CD1-CG1 4.19Å; I462-V688 HydrophobicContact CD1-CG2 4.43Å; I462-V688 HydrophobicContact CG2-CG1 4.13Å; I462-V688 HydrophobicContact CG2-CG2 4.33Å; L657-V688 HydrophobicContact CD1-CG1 4.18Å; L657-V688 HydrophobicContact CD1-CG2 4.26Å; L661-V688 HydrophobicContact CD2-CG2 3.42Å; L661-V688 VanDerWaalsContact CD2-CG2 3.42Å; L684-V688 HydrophobicContact CD1-CG2 4.14Å; L684-V688 VanDerWaalsContact O-CG2 3.31Å; L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 3.46Å; I685-V688 PolarHBondContact O-N 3.11Å
689	T	88.4	Confident	89.1	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-101.6	-12.1	-174.5	62	0	0	0	0	114.2	L457 N610 Y654 I685 L691	L457-T689 WeakPolarHBondContact CD1-O 3.43Å; N610-T689 HydrophobicContact CB-CG2 4.35Å; N610-T689 WeakPolarHBondContact O-CG2 3.24Å; Y654-T689 VanDerWaalsContact OH-CG2 3.24Å; Y654-T689 WeakPolarHBondContact OH-CG2 3.42Å; I685-T689 HydrophobicContact CG2-CG2 4.49Å; I685-T689 WeakPolarHBondContact O-CB 3.38Å; I685-T689 WeakPolarHBondContact O-CG2 3.4Å; I685-T689 PolarHBondContact O-N 2.87Å; I685-T689 PolarHBondContact O-OG1 3.1Å; T689-L691 WeakPolarHBondContact O-CG 3.34Å; T689-L691 PolarHBondContact O-N 3.47Å; T689-L691 VanDerWaalsContact O-N 3.11Å; T689-L691 PolarHBondContact OG1-N 3.18Å
690	S	84.7	Confident	87	Confident	63 Å²	63	21.8 Å²	21.8	44%	0.441	13%	0.126	S	C	.	.	S	Bend	trans	50.5	29.5	-169.7	-58.8	0	0	0	0	113.6	S686	S686-S690 WeakPolarHBondContact O-CA 3.18Å; S686-S690 PolarHBondContact O-N 2.68Å
691	L	88.7	Confident	84.5	Confident	49 Å²	49	30.4 Å²	30.4	26%	0.257	16%	0.16	S	C	.	.			trans	-126.5	148	-176.2	-69.8	167.8	0	0	0	110.8	N610 R611 S686 T689	N610-L691 WeakPolarHBondContact ND2-CD1 3.43Å; R611-L691 HydrophobicContact CG-CB 4.31Å; R611-L691 HydrophobicContact CG-CD1 4.23Å; S686-L691 WeakPolarHBondContact CA-O 3.14Å; S686-L691 WeakPolarHBondContact CB-O 3.34Å; S686-L691 PolarHBondContact OG-O 2.94Å; T689-L691 WeakPolarHBondContact O-CG 3.34Å; T689-L691 PolarHBondContact O-N 3.47Å; T689-L691 VanDerWaalsContact O-N 3.11Å; T689-L691 PolarHBondContact OG1-N 3.18Å
692	P	92.9	Very high	82.1	Confident	21 Å²	21	32.3 Å²	32.3	14%	0.136	17%	0.17	C	C	.	.			trans	-78.1	165.1	174.2	32.6	-34.6	0	0	0	111.2	R611 Y768 N770	R611-P692 PolarHBondContact NE-O 3.28Å; R611-P692 PolarHBondContact NH2-O 3.38Å; P692-Y768 WeakPolarHBondContact CB-O 3.25Å; P692-N770 HydrophobicContact CB-CB 3.75Å; P692-N770 HydrophobicContact CG-CB 3.75Å
693	P	95.4	Very high	79.3	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.019	19%	0.189	C	C	.	.			trans	-70.3	170.6	171.7	31	-36	0	0	0	112.4	R611 L612 F640 S641 V643 N770	R611-P693 PolarHBondContact NH2-O 3.37Å; L612-P693 HydrophobicContact CB-CB 4.24Å; F640-P693 HydrophobicContact CD2-CG 4.36Å; F640-P693 HydrophobicContact CE2-CG 4.35Å; S641-P693 WeakPolarHBondContact O-CD 3.05Å; S641-P693 WeakPolarHBondContact O-CG 3.42Å; V643-P693 HydrophobicContact CB-CB 4.12Å; V643-P693 HydrophobicContact CB-CG 4.48Å; V643-P693 HydrophobicContact CG2-CB 3.69Å; V643-P693 HydrophobicContact CG2-CG 3.91Å; P693-N770 PolarHBondContact O-ND2 3.25Å
694	I	94.6	Very high	76.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.2	174.5	-60.1	176.7	0	0	0	108.9	T604 F608 R611 L612 V613 G614 M774	T604-I694 HydrophobicContact CG2-CG2 4.28Å; F608-I694 HydrophobicContact CB-CD1 3.46Å; F608-I694 VanDerWaalsContact CB-CD1 3.46Å; F608-I694 HydrophobicContact CD1-CD1 3.94Å; F608-I694 HydrophobicContact CD2-CD1 3.36Å; F608-I694 HydrophobicContact CE2-CD1 4.1Å; F608-I694 HydrophobicContact CG-CD1 3.28Å; R611-I694 HydrophobicContact CB-CD1 4.4Å; R611-I694 HydrophobicContact CB-CG1 4.5Å; R611-I694 VanDerWaalsContact NH2-CG1 3.34Å; L612-I694 PolarHBondContact O-N 3.2Å; V613-I694 WeakPolarHBondContact CA-O 3.38Å; V613-I694 HydrophobicContact CG1-CB 4.47Å; V613-I694 HydrophobicContact CG1-CG2 4.35Å; V613-I694 HydrophobicContact CG2-CB 4.08Å; V613-I694 HydrophobicContact CG2-CD1 4.2Å; G614-I694 PolarHBondContact N-O 2.97Å; I694-M774 HydrophobicContact CD1-CE 4.17Å; I694-M774 HydrophobicContact CD1-SD 4.48Å; I694-M774 HydrophobicContact CG2-CE 4.21Å; I694-M774 HydrophobicContact CG2-CG 4.08Å; I694-M774 HydrophobicContact CG2-SD 3.66Å
695	K	92.6	Very high	73.7	Confident	42 Å²	42	52.1 Å²	52.1	18%	0.183	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.8	171.8	-177.1	-177	177.6	-177.6	0	109.7	G614 A617 F640 S773 M774	G614-K695 WeakPolarHBondContact O-CA 3.22Å; A617-K695 HydrophobicContact CB-CB 4.49Å; A617-K695 HydrophobicContact CB-CD 3.64Å; A617-K695 HydrophobicContact CB-CG 4.14Å; F640-K695 HydrophobicContact CD1-CB 4.44Å; F640-K695 HydrophobicContact CD1-CD 4.39Å; F640-K695 HydrophobicContact CD2-CB 4.34Å; F640-K695 HydrophobicContact CE1-CB 3.81Å; F640-K695 HydrophobicContact CE1-CD 4.34Å; F640-K695 HydrophobicContact CE2-CB 3.69Å; F640-K695 HydrophobicContact CZ-CB 3.39Å; K695-S773 WeakPolarHBondContact CD-OG 3.27Å; K695-S773 CarbonylContact O-C 3.48Å; K695-S773 VanDerWaalsContact O-CA 3.27Å; K695-S773 WeakPolarHBondContact O-CA 3.3Å; K695-M774 PolarHBondContact O-N 3.12Å
696	V	90.7	Very high	70.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.9	167.7	-72.2	0	0	0	0	110	F600 A601 T604 V613 G614 F615 M774	F600-V696 HydrophobicContact CD1-CB 4.45Å; F600-V696 HydrophobicContact CD1-CG1 4.36Å; F600-V696 HydrophobicContact CE1-CB 4.17Å; F600-V696 HydrophobicContact CE1-CG1 3.93Å; A601-V696 HydrophobicContact CB-CG2 4Å; T604-V696 HydrophobicContact CG2-CG1 3.96Å; V613-V696 HydrophobicContact CG1-CG1 3.64Å; G614-V696 WeakPolarHBondContact O-CG2 3.28Å; G614-V696 PolarHBondContact O-N 2.67Å; F615-V696 HydrophobicContact CD1-CG2 3.44Å; F615-V696 VanDerWaalsContact CD1-CG2 3.44Å; F615-V696 HydrophobicContact CE1-CG2 3.55Å; F615-V696 HydrophobicContact CG-CG2 4.02Å; F615-V696 HydrophobicContact CZ-CG2 4.2Å; V696-M774 HydrophobicContact CG1-CB 4.37Å
697	F	80.3	Confident	68.2	Low	80 Å²	80	64.7 Å²	64.7	35%	0.351	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.8	140.1	-180	-175.3	-105	0	0	0	112	T699 M774 Y775	F697-T699 HydrophobicContact CE1-CG2 3.96Å; F697-M774 PolarHBondContact N-O 2.88Å; F697-Y775 HydrophobicContact CB-CD1 3.52Å; F697-Y775 HydrophobicContact CB-CE1 3.72Å; F697-Y775 HydrophobicContact CB-CG 4.22Å; F697-Y775 HydrophobicContact CD1-CD1 4.19Å; F697-Y775 HydrophobicContact CD1-CE1 4.35Å; F697-Y775 AromaticContact CD2-CD1 3.84Å; F697-Y775 HydrophobicContact CD2-CD1 3.84Å; F697-Y775 AromaticContact CD2-CE1 3.23Å; F697-Y775 HydrophobicContact CD2-CE1 3.23Å; F697-Y775 AromaticContact CE2-CE1 3.87Å; F697-Y775 HydrophobicContact CE2-CE1 3.87Å; F697-Y775 AromaticContact CG-CD1 3.58Å; F697-Y775 HydrophobicContact CG-CD1 3.58Å; F697-Y775 AromaticContact CG-CE1 3.5Å; F697-Y775 HydrophobicContact CG-CE1 3.5Å
698	S	67.9	Low	65.7	Low	20 Å²	20	67.9 Å²	67.9	14%	0.14	35%	0.348	C	S	.	.			trans	-120.4	134.5	165.5	-179	0	0	0	0	109.8	S700 I702	S698-S700 VanDerWaalsContact C-N 3.28Å; S698-S700 PolarHBondContact O-N 2.89Å; S698-S700 PolarHBondContact OG-N 3.05Å; S698-S700 PolarHBondContact OG-O 2.91Å; S698-S700 PolarHBondContact OG-OG 3.15Å; S698-I702 WeakPolarHBondContact OG-CD1 3.15Å
699	T	54.8	Low	63.9	Low	107 Å²	107	74.4 Å²	74.4	66%	0.656	39%	0.388	S	S	*	.	S	Bend	trans	-69.8	-25.5	178	49.4	0	0	0	0	112.6	Q597 F697	Q597-T699 PolarHBondContact NE2-OG1 2.99Å; F697-T699 HydrophobicContact CE1-CG2 3.96Å
700	S	52.5	Low	62	Low	49 Å²	49	79.2 Å²	79.2	34%	0.343	41%	0.414	S	S	.	.	S	Bend	trans	-92.1	134.4	174.6	35.4	0	0	0	0	109.5	S698 I702	S698-S700 VanDerWaalsContact C-N 3.28Å; S698-S700 PolarHBondContact O-N 2.89Å; S698-S700 PolarHBondContact OG-N 3.05Å; S698-S700 PolarHBondContact OG-O 2.91Å; S698-S700 PolarHBondContact OG-OG 3.15Å; S700-I702 WeakPolarHBondContact O-CG1 3.5Å; S700-I702 PolarHBondContact O-N 3.08Å; S700-I702 WeakPolarHBondContact OG-CD1 3.43Å; S700-I702 WeakPolarHBondContact OG-CG1 3.31Å
701	Y	44.8	Very low	60.5	Low	181 Å²	181	84 Å²	84	71%	0.71	43%	0.43	S	S	*	.			trans	-64.8	85.7	159.5	-141.4	-94	0	0	0	106	E703	Y701-E703 VanDerWaalsContact C-N 3.29Å; Y701-E703 PolarHBondContact O-N 3.43Å
702	I	46	Very low	58.9	Low	40 Å²	40	88.5 Å²	88.5	21%	0.205	45%	0.452	C	S	.	.			trans	-72.2	-13.8	-158	-87.5	-175.9	0	0	0	114.4	L591 N592 I593 Q616 S698 S700	L591-I702 HydrophobicContact CD1-CB 4.44Å; L591-I702 HydrophobicContact CD1-CD1 3.77Å; L591-I702 HydrophobicContact CD1-CG1 4.46Å; L591-I702 HydrophobicContact CD1-CG2 3.22Å; N592-I702 VanDerWaalsContact O-CD1 3.28Å; N592-I702 WeakPolarHBondContact O-CD1 3.5Å; I593-I702 HydrophobicContact CG2-CD1 3.74Å; Q616-I702 HydrophobicContact CG-CG2 3.96Å; S698-I702 WeakPolarHBondContact OG-CD1 3.15Å; S700-I702 WeakPolarHBondContact O-CG1 3.5Å; S700-I702 PolarHBondContact O-N 3.08Å; S700-I702 WeakPolarHBondContact OG-CD1 3.43Å; S700-I702 WeakPolarHBondContact OG-CG1 3.31Å
703	E	38.8	Very low	57	Low	91 Å²	91	92.1 Å²	92.1	43%	0.425	47%	0.47	S	S	.	.	S	Bend	trans	-140.5	101.4	173.3	-96.5	172.7	-163.7	0	0	110	Q616 R618 Y701	Q616-E703 VanDerWaalsContact NE2-CG 3.33Å; Q616-E703 PolarHBondContact NE2-OE1 3.48Å; Q616-E703 PolarHBondContact NE2-OE2 3.23Å; R618-E703 IonicContact CZ-OE2 2.99Å; R618-E703 IonicContact NH2-OE2 3.07Å; R618-E703 PolarHBondContact NH2-OE2 2.92Å; Y701-E703 VanDerWaalsContact C-N 3.29Å; Y701-E703 PolarHBondContact O-N 3.43Å
704	Q	38.7	Very low	55.8	Low	115 Å²	115	94.6 Å²	94.6	54%	0.537	48%	0.483	S	S	.	.	S	Bend	trans	-172.1	-12	149	-105.4	168.1	20.5	0	0	112.1	L706 L707	Q704-L706 VanDerWaalsContact C-N 3.35Å; Q704-L706 PolarHBondContact O-N 3.19Å; Q704-L707 WeakPolarHBondContact O-CD1 3.35Å; Q704-L707 WeakPolarHBondContact O-CG 3.49Å; Q704-L707 PolarHBondContact O-N 2.75Å
705	K	32.6	Very low	54.9	Low	212 Å²	212	99.2 Å²	99.2	92%	0.922	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	17.9	-175.3	-121.8	-179	-175.5	-178.4	0	117	L707	K705-L707 VanDerWaalsContact C-N 3.27Å
706	L	36.6	Very low	54.5	Low	152 Å²	152	100.6 Å²	100.6	80%	0.796	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	15.9	161	-96.2	150	0	0	0	112.3	Q704 S708	Q704-L706 VanDerWaalsContact C-N 3.35Å; Q704-L706 PolarHBondContact O-N 3.19Å; L706-S708 PolarHBondContact O-N 2.81Å
707	L	35.4	Very low	54.1	Low	118 Å²	118	106.4 Å²	106.4	62%	0.618	55%	0.546	S	S	*	.			trans	-74.1	75.4	164.2	-71.2	164.5	0	0	0	109.6	Q704 K705 N714	Q704-L707 WeakPolarHBondContact O-CD1 3.35Å; Q704-L707 WeakPolarHBondContact O-CG 3.49Å; Q704-L707 PolarHBondContact O-N 2.75Å; K705-L707 VanDerWaalsContact C-N 3.27Å; L707-N714 HydrophobicContact CD2-CB 4.48Å
708	S	36.3	Very low	54.2	Low	80 Å²	80	105.9 Å²	105.9	56%	0.559	55%	0.547	S	S	*	.			trans	-113.7	117.8	165.5	56.3	0	0	0	0	110.7	L706	L706-S708 PolarHBondContact O-N 2.81Å
709	T	50.3	Low	55.2	Low	138 Å²	138	107.8 Å²	107.8	85%	0.847	56%	0.555	S	S	*	*	S	Bend	trans	81.7	-14.1	155.4	36.1	0	0	0	0	123.6
710	D	47.5	Very low	56.8	Low	101 Å²	101	107 Å²	107	54%	0.54	55%	0.546	S	S	.	.			trans	-136.4	85.9	168.1	-86.1	-41.6	0	0	0	112.2	I712 L713 N714	D710-I712 VanDerWaalsContact C-N 3.31Å; D710-I712 PolarHBondContact O-N 3.04Å; D710-L713 HydrophobicContact CB-CB 4.3Å; D710-L713 HydrophobicContact CB-CD1 4.14Å; D710-N714 WeakPolarHBondContact O-CB 3.18Å; D710-N714 VanDerWaalsContact O-CG 3.3Å; D710-N714 PolarHBondContact O-N 3.01Å; D710-N714 PolarHBondContact O-ND2 3.39Å
711	E	52.7	Low	58.5	Low	165 Å²	165	108.2 Å²	108.2	77%	0.771	54%	0.544	S	S	*	.	H	α-helix	trans	-60.9	-35.4	-175.7	-67.1	-177.8	164.9	0	0	113.5	L715	E711-L715 WeakPolarHBondContact O-CB 3.4Å; E711-L715 PolarHBondContact O-N 3.19Å; E711-L715 VanDerWaalsContact O-N 3.09Å
712	I	55.4	Low	60.7	Low	142 Å²	142	103 Å²	103	73%	0.728	52%	0.523	S	S	*	.	H	α-helix	trans	-75.9	-47.4	-174.7	-60.7	174.6	0	0	0	111.4	D710 N714 L715 T716	D710-I712 VanDerWaalsContact C-N 3.31Å; D710-I712 PolarHBondContact O-N 3.04Å; I712-N714 VanDerWaalsContact C-N 3.32Å; I712-N714 PolarHBondContact O-N 3.03Å; I712-L715 PolarHBondContact O-N 3.49Å; I712-T716 PolarHBondContact O-N 2.71Å; I712-T716 VanDerWaalsContact O-N 3.12Å; I712-T716 PolarHBondContact O-OG1 2.81Å
713	L	54	Low	62.9	Low	98 Å²	98	107.2 Å²	107.2	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-44	177.9	-75.2	164.9	0	0	0	110.6	D710 L715 T716 E717	D710-L713 HydrophobicContact CB-CB 4.3Å; D710-L713 HydrophobicContact CB-CD1 4.14Å; L713-L715 VanDerWaalsContact C-N 3.35Å; L713-L715 PolarHBondContact O-N 2.85Å; L713-T716 WeakPolarHBondContact CA-OG1 3.5Å; L713-T716 PolarHBondContact O-N 2.88Å; L713-T716 PolarHBondContact O-OG1 3.06Å; L713-E717 WeakPolarHBondContact O-CG 3.39Å; L713-E717 PolarHBondContact O-N 2.73Å
714	N	68.5	Low	65.5	Low	54 Å²	54	106 Å²	106	29%	0.289	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-37.1	177.3	-74	-18.9	0	0	0	112.8	L707 D710 I712 L718	L707-N714 HydrophobicContact CD2-CB 4.48Å; D710-N714 WeakPolarHBondContact O-CB 3.18Å; D710-N714 VanDerWaalsContact O-CG 3.3Å; D710-N714 PolarHBondContact O-N 3.01Å; D710-N714 PolarHBondContact O-ND2 3.39Å; I712-N714 VanDerWaalsContact C-N 3.32Å; I712-N714 PolarHBondContact O-N 3.03Å; N714-L718 VanDerWaalsContact O-CB 3.23Å; N714-L718 WeakPolarHBondContact O-CB 3.46Å; N714-L718 PolarHBondContact O-N 2.75Å
715	L	77	Confident	68.2	Low	99 Å²	99	100.8 Å²	100.8	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-69.5	-40.2	178.6	-173.6	62.9	0	0	0	111.9	E711 I712 L713 L718 N719	E711-L715 WeakPolarHBondContact O-CB 3.4Å; E711-L715 PolarHBondContact O-N 3.19Å; E711-L715 VanDerWaalsContact O-N 3.09Å; I712-L715 PolarHBondContact O-N 3.49Å; L713-L715 VanDerWaalsContact C-N 3.35Å; L713-L715 PolarHBondContact O-N 2.85Å; L715-L718 PolarHBondContact O-N 3.41Å; L715-N719 WeakPolarHBondContact O-CB 3.39Å; L715-N719 VanDerWaalsContact O-CG 3.25Å; L715-N719 PolarHBondContact O-N 2.91Å; L715-N719 PolarHBondContact O-ND2 3.17Å
716	T	83.7	Confident	71.2	Confident	71 Å²	71	91.3 Å²	91.3	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-46	173.8	29.6	0	0	0	0	112	I712 L713 L718 N719 I720	I712-T716 PolarHBondContact O-N 2.71Å; I712-T716 VanDerWaalsContact O-N 3.12Å; I712-T716 PolarHBondContact O-OG1 2.81Å; L713-T716 WeakPolarHBondContact CA-OG1 3.5Å; L713-T716 PolarHBondContact O-N 2.88Å; L713-T716 PolarHBondContact O-OG1 3.06Å; T716-L718 VanDerWaalsContact C-N 3.35Å; T716-L718 PolarHBondContact O-N 2.89Å; T716-N719 PolarHBondContact O-N 3.19Å; T716-I720 VanDerWaalsContact O-CG1 3.29Å; T716-I720 WeakPolarHBondContact O-CG1 3.43Å; T716-I720 PolarHBondContact O-N 2.79Å
717	E	82.6	Confident	74	Confident	122 Å²	122	88.8 Å²	88.8	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-62.8	-41.7	177.2	-71.7	179.8	179.2	0	0	111.8	L713 N719 I720 Y721	L713-E717 WeakPolarHBondContact O-CG 3.39Å; L713-E717 PolarHBondContact O-N 2.73Å; E717-N719 PolarHBondContact O-N 2.9Å; E717-I720 PolarHBondContact O-N 3.18Å; E717-Y721 VanDerWaalsContact O-CB 3.31Å; E717-Y721 WeakPolarHBondContact O-CB 3.35Å; E717-Y721 PolarHBondContact O-N 2.92Å
718	L	83.1	Confident	76.9	Confident	69 Å²	69	83.1 Å²	83.1	36%	0.361	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.1	-174.8	68.4	0	0	0	112.2	N714 L715 T716 Y721 R722	N714-L718 VanDerWaalsContact O-CB 3.23Å; N714-L718 WeakPolarHBondContact O-CB 3.46Å; N714-L718 PolarHBondContact O-N 2.75Å; L715-L718 PolarHBondContact O-N 3.41Å; T716-L718 VanDerWaalsContact C-N 3.35Å; T716-L718 PolarHBondContact O-N 2.89Å; L718-Y721 WeakPolarHBondContact O-CB 3.24Å; L718-Y721 PolarHBondContact O-N 2.61Å; L718-R722 WeakPolarHBondContact O-CB 3.4Å; L718-R722 PolarHBondContact O-N 3.15Å
719	N	88.1	Confident	79.7	Confident	59 Å²	59	79.3 Å²	79.3	32%	0.316	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-44.7	177.1	-75.1	-20.9	0	0	0	111.5	L715 T716 E717 Y721 R722 E723	L715-N719 WeakPolarHBondContact O-CB 3.39Å; L715-N719 VanDerWaalsContact O-CG 3.25Å; L715-N719 PolarHBondContact O-N 2.91Å; L715-N719 PolarHBondContact O-ND2 3.17Å; T716-N719 PolarHBondContact O-N 3.19Å; E717-N719 PolarHBondContact O-N 2.9Å; N719-Y721 VanDerWaalsContact C-N 3.28Å; N719-Y721 PolarHBondContact O-N 3.49Å; N719-R722 PolarHBondContact O-N 3.29Å; N719-R722 PolarHBondContact OD1-NH1 2.62Å; N719-E723 WeakPolarHBondContact O-CB 3.29Å; N719-E723 WeakPolarHBondContact O-CG 3.47Å; N719-E723 PolarHBondContact O-N 3.04Å
720	I	89.2	Confident	81.7	Confident	90 Å²	90	73.5 Å²	73.5	46%	0.462	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-44.1	174.5	-68.5	165.4	0	0	0	110.2	T716 E717 E723 Q724	T716-I720 VanDerWaalsContact O-CG1 3.29Å; T716-I720 WeakPolarHBondContact O-CG1 3.43Å; T716-I720 PolarHBondContact O-N 2.79Å; E717-I720 PolarHBondContact O-N 3.18Å; I720-E723 PolarHBondContact O-N 2.97Å; I720-Q724 HydrophobicContact CG2-CG 4.43Å; I720-Q724 WeakPolarHBondContact O-CB 3.09Å; I720-Q724 WeakPolarHBondContact O-CG 3.3Å; I720-Q724 PolarHBondContact O-N 3.05Å
721	Y	88	Confident	83.9	Confident	76 Å²	76	69.5 Å²	69.5	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.3	174.6	-100.2	0	0	0	112.8	Y631 E717 L718 N719 R725	Y631-Y721 HydrophobicContact CE1-CE1 4.47Å; E717-Y721 VanDerWaalsContact O-CB 3.31Å; E717-Y721 WeakPolarHBondContact O-CB 3.35Å; E717-Y721 PolarHBondContact O-N 2.92Å; L718-Y721 WeakPolarHBondContact O-CB 3.24Å; L718-Y721 PolarHBondContact O-N 2.61Å; N719-Y721 VanDerWaalsContact C-N 3.28Å; N719-Y721 PolarHBondContact O-N 3.49Å; Y721-R725 VanDerWaalsContact CE2-NE 3.33Å; Y721-R725 VanDerWaalsContact CZ-NE 3.25Å; Y721-R725 WeakPolarHBondContact O-CG 2.95Å; Y721-R725 PolarHBondContact O-N 3.41Å; Y721-R725 VanDerWaalsContact O-N 3.09Å; Y721-R725 PolarHBondContact OH-NE 3.37Å; Y721-R725 PolarHBondContact OH-NH1 3.2Å; Y721-R725 PolarHBondContact OH-NH2 3.07Å
722	R	90.4	Very high	85.8	Confident	70 Å²	70	61.7 Å²	61.7	26%	0.264	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-40.8	177	-169.7	-173.5	-66	119.4	4.6	111.8	Y631 D633 L718 N719 S726	Y631-R722 HydrophobicContact CD1-CG 4.21Å; D633-R722 VanDerWaalsContact CG-NH2 3.34Å; D633-R722 IonicContact OD1-CZ 2.74Å; D633-R722 IonicContact OD1-NE 2.71Å; D633-R722 PolarHBondContact OD1-NE 3.41Å; D633-R722 IonicContact OD1-NH2 3.12Å; D633-R722 PolarHBondContact OD1-NH2 2.76Å; D633-R722 VanDerWaalsContact OD1-NH2 3.13Å; D633-R722 IonicContact OD2-CZ 3.59Å; D633-R722 IonicContact OD2-NE 2.68Å; D633-R722 IonicContact OD2-NH2 3.13Å; D633-R722 PolarHBondContact OD2-NH2 3.23Å; L718-R722 WeakPolarHBondContact O-CB 3.4Å; L718-R722 PolarHBondContact O-N 3.15Å; N719-R722 PolarHBondContact O-N 3.29Å; N719-R722 PolarHBondContact OD1-NH1 2.62Å; R722-S726 WeakPolarHBondContact O-CB 3.48Å; R722-S726 PolarHBondContact O-N 3.11Å; R722-S726 PolarHBondContact O-OG 3.37Å
723	E	92.4	Very high	87.5	Confident	129 Å²	129	54.9 Å²	54.9	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-65.4	-48.3	177.8	-75.5	-179.6	-179.8	0	0	111.6	N719 I720 R725 S726 L727	N719-E723 WeakPolarHBondContact O-CB 3.29Å; N719-E723 WeakPolarHBondContact O-CG 3.47Å; N719-E723 PolarHBondContact O-N 3.04Å; I720-E723 PolarHBondContact O-N 2.97Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 2.9Å; E723-S726 WeakPolarHBondContact O-CB 2.92Å; E723-S726 PolarHBondContact O-N 2.02Å; E723-S726 VanDerWaalsContact O-N 3.15Å; E723-L727 WeakPolarHBondContact O-CG 3.49Å; E723-L727 PolarHBondContact O-N 3.02Å
724	Q	93.6	Very high	89	Confident	65 Å²	65	54.4 Å²	54.4	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-56.1	-45.6	175.5	-76	179.6	-5.9	0	0	111.8	I720 S726 L727 C728	I720-Q724 HydrophobicContact CG2-CG 4.43Å; I720-Q724 WeakPolarHBondContact O-CB 3.09Å; I720-Q724 WeakPolarHBondContact O-CG 3.3Å; I720-Q724 PolarHBondContact O-N 3.05Å; Q724-S726 VanDerWaalsContact C-N 3.34Å; Q724-S726 PolarHBondContact O-N 3.42Å; Q724-L727 WeakPolarHBondContact O-CB 3.45Å; Q724-L727 PolarHBondContact O-N 3.44Å; Q724-C728 PolarHBondContact O-N 3.17Å; Q724-C728 PolarHBondContact O-SG 3.15Å
725	R	95.1	Very high	89.7	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-34.9	178.4	-73.9	-175.9	162.2	-152.9	-9.3	113.2	Y631 N675 D678 I679 Y721 E723 C728 I729	Y631-R725 HydrophobicContact CD1-CB 3.85Å; Y631-R725 HydrophobicContact CD2-CB 4.3Å; Y631-R725 HydrophobicContact CE1-CB 4.35Å; Y631-R725 HydrophobicContact CG-CB 3.8Å; Y631-R725 PolarHBondContact OH-NH1 2.68Å; Y631-R725 VanDerWaalsContact OH-NH1 3.1Å; N675-R725 PolarHBondContact OD1-NE 3.36Å; N675-R725 VanDerWaalsContact OD1-NE 3.16Å; N675-R725 PolarHBondContact OD1-NH2 3.11Å; N675-R725 VanDerWaalsContact OD1-NH2 3.16Å; D678-R725 VanDerWaalsContact CG-NH2 3.34Å; D678-R725 IonicContact OD1-CZ 3.51Å; D678-R725 IonicContact OD1-NH2 3.97Å; D678-R725 PolarHBondContact OD1-NH2 3.43Å; D678-R725 VanDerWaalsContact OD1-NH2 3.15Å; D678-R725 IonicContact OD2-CZ 3.58Å; D678-R725 IonicContact OD2-NH1 2.63Å; D678-R725 PolarHBondContact OD2-NH1 2.92Å; D678-R725 IonicContact OD2-NH2 3.05Å; D678-R725 PolarHBondContact OD2-NH2 2.83Å; I679-R725 HydrophobicContact CD1-CB 3.91Å; I679-R725 HydrophobicContact CD1-CG 3.89Å; Y721-R725 VanDerWaalsContact CE2-NE 3.33Å; Y721-R725 VanDerWaalsContact CZ-NE 3.25Å; Y721-R725 WeakPolarHBondContact O-CG 2.95Å; Y721-R725 PolarHBondContact O-N 3.41Å; Y721-R725 VanDerWaalsContact O-N 3.09Å; Y721-R725 PolarHBondContact OH-NE 3.37Å; Y721-R725 PolarHBondContact OH-NH1 3.2Å; Y721-R725 PolarHBondContact OH-NH2 3.07Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 2.9Å; R725-C728 PolarHBondContact O-N 3.07Å; R725-I729 WeakPolarHBondContact O-CG1 3.27Å; R725-I729 PolarHBondContact O-N 2.91Å
726	S	95.5	Very high	89.8	Confident	12 Å²	12	50.7 Å²	50.7	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-42.3	171.9	-59.3	0	0	0	0	111.4	Y631 R722 E723 Q724 I729 Q730	Y631-S726 PolarHBondContact N-OG 3.13Å; R722-S726 WeakPolarHBondContact O-CB 3.48Å; R722-S726 PolarHBondContact O-N 3.11Å; R722-S726 PolarHBondContact O-OG 3.37Å; E723-S726 WeakPolarHBondContact O-CB 2.92Å; E723-S726 PolarHBondContact O-N 2.02Å; E723-S726 VanDerWaalsContact O-N 3.15Å; Q724-S726 VanDerWaalsContact C-N 3.34Å; Q724-S726 PolarHBondContact O-N 3.42Å; S726-I729 PolarHBondContact O-N 3.48Å; S726-Q730 WeakPolarHBondContact O-CB 3.39Å; S726-Q730 PolarHBondContact O-N 3.33Å
727	L	95.5	Very high	89.2	Confident	99 Å²	99	52.1 Å²	52.1	52%	0.518	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-41.3	174.4	-67.9	172.8	0	0	0	112	F673 E723 Q724 Q730 A731	F673-L727 HydrophobicContact CE1-CB 4.36Å; F673-L727 HydrophobicContact CE1-CD1 4.24Å; F673-L727 HydrophobicContact CZ-CB 3.98Å; F673-L727 HydrophobicContact CZ-CD1 4.42Å; E723-L727 WeakPolarHBondContact O-CG 3.49Å; E723-L727 PolarHBondContact O-N 3.02Å; Q724-L727 WeakPolarHBondContact O-CB 3.45Å; Q724-L727 PolarHBondContact O-N 3.44Å; L727-Q730 PolarHBondContact O-N 2.85Å; L727-A731 VanDerWaalsContact O-CB 3.32Å; L727-A731 WeakPolarHBondContact O-CB 3.42Å; L727-A731 PolarHBondContact O-N 2.82Å
728	C	95.7	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-48.8	174.9	-66.9	0	0	0	0	112.2	F673 C676 Q724 R725 Q730 A731 F732	F673-C728 VanDerWaalsContact CD2-SG 3.59Å; C676-C728 HydrophobicContact CB-CB 3.38Å; C676-C728 WeakPolarHBondContact CB-SG 3.43Å; C676-C728 WeakPolarHBondContact SG-CB 3.27Å; C676-C728 CovalentContact SG-SG 2.02Å; C676-C728 PolarHBondContact SG-SG 2.85Å; Q724-C728 PolarHBondContact O-N 3.17Å; Q724-C728 PolarHBondContact O-SG 3.15Å; R725-C728 PolarHBondContact O-N 3.07Å; C728-Q730 VanDerWaalsContact C-N 3.28Å; C728-Q730 PolarHBondContact O-N 3.28Å; C728-A731 PolarHBondContact O-N 2.81Å; C728-F732 HydrophobicContact CB-CE2 4.04Å; C728-F732 HydrophobicContact CB-CZ 4.15Å; C728-F732 WeakPolarHBondContact O-CB 3.35Å; C728-F732 WeakPolarHBondContact O-CD2 3.44Å; C728-F732 WeakPolarHBondContact O-CG 3.41Å; C728-F732 PolarHBondContact O-N 3.22Å
729	I	94.7	Very high	86.8	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-45.4	178	-71.2	175.7	0	0	0	110.4	H620 W629 Y631 I642 I679 R725 S726 A731 F732 S733 L765	H620-I729 HydrophobicContact CB-CD1 4.13Å; W629-I729 HydrophobicContact CB-CG2 3.59Å; W629-I729 HydrophobicContact CG-CG2 4.27Å; Y631-I729 HydrophobicContact CD2-CD1 3.87Å; Y631-I729 HydrophobicContact CG-CD1 4.35Å; I642-I729 HydrophobicContact CD1-CD1 4.28Å; I679-I729 HydrophobicContact CD1-CD1 4.44Å; I679-I729 HydrophobicContact CD1-CG1 4.29Å; I679-I729 HydrophobicContact CG2-CD1 4.48Å; I679-I729 HydrophobicContact CG2-CG1 3.82Å; R725-I729 WeakPolarHBondContact O-CG1 3.27Å; R725-I729 PolarHBondContact O-N 2.91Å; S726-I729 PolarHBondContact O-N 3.48Å; I729-A731 PolarHBondContact O-N 3.38Å; I729-F732 PolarHBondContact O-N 3.42Å; I729-S733 PolarHBondContact O-N 2.95Å; I729-L765 HydrophobicContact CG2-CD1 4.01Å; I729-L765 HydrophobicContact CG2-CD2 3.43Å; I729-L765 VanDerWaalsContact CG2-CD2 3.43Å; I729-L765 HydrophobicContact CG2-CG 4.38Å
730	Q	93.8	Very high	85	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.075	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-46.4	176.7	-176.8	60.2	33.4	0	0	111.5	L628 S726 L727 C728 S733 Q734 M763	L628-Q730 HydrophobicContact CD2-CG 3.96Å; S726-Q730 WeakPolarHBondContact O-CB 3.39Å; S726-Q730 PolarHBondContact O-N 3.33Å; L727-Q730 PolarHBondContact O-N 2.85Å; C728-Q730 VanDerWaalsContact C-N 3.28Å; C728-Q730 PolarHBondContact O-N 3.28Å; Q730-S733 PolarHBondContact O-N 3.49Å; Q730-S733 PolarHBondContact O-OG 2.89Å; Q730-Q734 WeakPolarHBondContact O-CG 3.43Å; Q730-Q734 PolarHBondContact O-N 2.84Å; Q730-M763 VanDerWaalsContact NE2-CE 3.28Å; Q730-M763 PolarHBondContact NE2-SD 2.87Å; Q730-M763 VanDerWaalsContact NE2-SD 3.35Å
731	A	92.3	Very high	82.9	Confident	17 Å²	17	43.9 Å²	43.9	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-41	179.1	0	0	0	0	0	112	I669 L727 C728 I729 S733 Q734 H735	I669-A731 HydrophobicContact CD1-CB 3.79Å; I669-A731 HydrophobicContact CG1-CB 4.37Å; I669-A731 HydrophobicContact CG2-CB 4.23Å; L727-A731 VanDerWaalsContact O-CB 3.32Å; L727-A731 WeakPolarHBondContact O-CB 3.42Å; L727-A731 PolarHBondContact O-N 2.82Å; C728-A731 PolarHBondContact O-N 2.81Å; I729-A731 PolarHBondContact O-N 3.38Å; A731-S733 VanDerWaalsContact C-N 3.32Å; A731-S733 PolarHBondContact O-N 2.89Å; A731-Q734 PolarHBondContact O-N 2.93Å; A731-Q734 VanDerWaalsContact O-N 3.17Å; A731-H735 PolarHBondContact O-N 3.5Å; A731-H735 PolarHBondContact O-ND1 3.43Å
732	F	93.9	Very high	80.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-43.4	174.3	-63.4	-22.1	0	0	0	111.1	L666 I669 V670 C676 I679 L680 C728 I729 Q734 H735 F736	L666-F732 HydrophobicContact CD2-CB 4.42Å; L666-F732 HydrophobicContact CD2-CD1 3.6Å; L666-F732 HydrophobicContact CD2-CE1 4.33Å; L666-F732 HydrophobicContact CD2-CG 4.35Å; I669-F732 HydrophobicContact CB-CE1 4.13Å; I669-F732 HydrophobicContact CD1-CD1 4.34Å; I669-F732 HydrophobicContact CG2-CD1 4.25Å; I669-F732 HydrophobicContact CG2-CE1 3.62Å; I669-F732 HydrophobicContact CG2-CZ 4.33Å; V670-F732 HydrophobicContact CG2-CE1 4.24Å; V670-F732 HydrophobicContact CG2-CZ 3.9Å; C676-F732 HydrophobicContact CB-CE2 4.17Å; C676-F732 HydrophobicContact CB-CZ 4.02Å; I679-F732 HydrophobicContact CB-CE2 4.12Å; I679-F732 HydrophobicContact CG2-CD2 4.01Å; I679-F732 HydrophobicContact CG2-CE2 3.88Å; L680-F732 HydrophobicContact CB-CE1 4.34Å; L680-F732 HydrophobicContact CB-CE2 3.84Å; L680-F732 HydrophobicContact CB-CZ 3.7Å; L680-F732 HydrophobicContact CD1-CD1 4.17Å; L680-F732 HydrophobicContact CD1-CE1 4.07Å; L680-F732 HydrophobicContact CD1-CE2 4.42Å; L680-F732 HydrophobicContact CD1-CG 4.39Å; L680-F732 HydrophobicContact CD1-CZ 4.21Å; L680-F732 HydrophobicContact CD2-CE1 4.38Å; L680-F732 HydrophobicContact CD2-CZ 4.43Å; L680-F732 HydrophobicContact CG-CE1 4.5Å; L680-F732 HydrophobicContact CG-CZ 4.33Å; C728-F732 HydrophobicContact CB-CE2 4.04Å; C728-F732 HydrophobicContact CB-CZ 4.15Å; C728-F732 WeakPolarHBondContact O-CB 3.35Å; C728-F732 WeakPolarHBondContact O-CD2 3.44Å; C728-F732 WeakPolarHBondContact O-CG 3.41Å; C728-F732 PolarHBondContact O-N 3.22Å; I729-F732 PolarHBondContact O-N 3.42Å; F732-Q734 PolarHBondContact O-N 3.29Å; F732-Q734 VanDerWaalsContact O-N 3.09Å; F732-H735 PolarHBondContact O-N 3.46Å; F732-F736 HydrophobicContact CB-CD2 4.04Å; F732-F736 HydrophobicContact CB-CE2 4.07Å; F732-F736 WeakPolarHBondContact O-CD2 3.42Å; F732-F736 PolarHBondContact O-N 3.4Å
733	S	89.9	Confident	78.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-26.3	177.9	80.8	0	0	0	0	113.6	I729 Q730 A731 M763 Y764	I729-S733 PolarHBondContact O-N 2.95Å; Q730-S733 PolarHBondContact O-N 3.49Å; Q730-S733 PolarHBondContact O-OG 2.89Å; A731-S733 VanDerWaalsContact C-N 3.32Å; A731-S733 PolarHBondContact O-N 2.89Å; S733-M763 CarbonylContact O-C 3.28Å; S733-M763 VanDerWaalsContact O-CA 3.28Å; S733-M763 WeakPolarHBondContact O-CA 3.44Å; S733-Y764 WeakPolarHBondContact CA-O 3.5Å; S733-Y764 PolarHBondContact O-N 2.78Å
734	Q	85.9	Confident	75.5	Confident	88 Å²	88	36.6 Å²	36.6	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-87.8	-17.2	-179.8	-67.5	169.6	-19.2	0	0	113.7	Q730 A731 F732 M763	Q730-Q734 WeakPolarHBondContact O-CG 3.43Å; Q730-Q734 PolarHBondContact O-N 2.84Å; A731-Q734 PolarHBondContact O-N 2.93Å; A731-Q734 VanDerWaalsContact O-N 3.17Å; F732-Q734 PolarHBondContact O-N 3.29Å; F732-Q734 VanDerWaalsContact O-N 3.09Å; Q734-M763 HydrophobicContact CG-CG 4.41Å
735	H	83.4	Confident	72.8	Confident	62 Å²	62	39.9 Å²	39.9	29%	0.287	20%	0.199	S	C	.	.	H	α-helix	trans	-113.1	-20.9	-172.1	-70.8	89.7	0	0	0	113.6	L666 A731 F732 I737	L666-H735 HydrophobicContact CD2-CB 3.71Å; L666-H735 HydrophobicContact CG-CB 4.26Å; A731-H735 PolarHBondContact O-N 3.5Å; A731-H735 PolarHBondContact O-ND1 3.43Å; F732-H735 PolarHBondContact O-N 3.46Å; H735-I737 PolarHBondContact O-N 3.32Å
736	F	79.9	Confident	69.8	Low	12 Å²	12	44.1 Å²	44.1	5%	0.053	23%	0.23	C	C	.	.			trans	-70.4	128.3	170.4	-88.3	-78.2	0	0	0	110.5	L662 L666 L680 C683 H687 F732 Y764 P766	L662-F736 HydrophobicContact CD2-CE1 3.76Å; L662-F736 HydrophobicContact CD2-CZ 3.85Å; L666-F736 HydrophobicContact CD1-CD1 4.38Å; L666-F736 HydrophobicContact CD1-CD2 4.31Å; L666-F736 HydrophobicContact CD1-CE1 4.09Å; L666-F736 HydrophobicContact CD1-CE2 3.99Å; L666-F736 HydrophobicContact CD1-CG 4.48Å; L666-F736 HydrophobicContact CD1-CZ 3.88Å; L666-F736 HydrophobicContact CD2-CD2 4.16Å; L666-F736 HydrophobicContact CD2-CE2 4.05Å; L680-F736 HydrophobicContact CD1-CE2 3.73Å; L680-F736 HydrophobicContact CD1-CZ 3.71Å; C683-F736 HydrophobicContact CB-CE2 3.55Å; C683-F736 HydrophobicContact CB-CZ 3.56Å; H687-F736 HydrophobicContact CB-CE1 4.46Å; F732-F736 HydrophobicContact CB-CD2 4.04Å; F732-F736 HydrophobicContact CB-CE2 4.07Å; F732-F736 WeakPolarHBondContact O-CD2 3.42Å; F732-F736 PolarHBondContact O-N 3.4Å; F736-Y764 HydrophobicContact CB-CD1 3.82Å; F736-Y764 HydrophobicContact CB-CE1 4.31Å; F736-Y764 WeakPolarHBondContact CB-O 3.26Å; F736-P766 HydrophobicContact CD1-CG 3.96Å; F736-P766 HydrophobicContact CD2-CG 4.08Å; F736-P766 HydrophobicContact CE1-CG 4.09Å; F736-P766 HydrophobicContact CE2-CG 4.23Å; F736-P766 HydrophobicContact CG-CG 3.96Å; F736-P766 HydrophobicContact CZ-CG 4.23Å
737	I	69.2	Low	66.7	Low	102 Å²	102	49.9 Å²	49.9	52%	0.523	26%	0.259	S	S	.	.			trans	-104.4	129.2	169.7	-56.9	173.4	0	0	0	107	S250 H687 H735 V739	S250-I737 VanDerWaalsContact O-CG2 3.31Å; S250-I737 WeakPolarHBondContact O-CG2 3.39Å; H687-I737 PolarHBondContact CE1-O 3.19Å; H687-I737 VanDerWaalsContact CE1-O 3.25Å; H735-I737 PolarHBondContact O-N 3.32Å; I737-V739 PolarHBondContact O-N 3.11Å; I737-V739 VanDerWaalsContact O-N 3.08Å
738	K	62.3	Low	63.5	Low	36 Å²	36	52.2 Å²	52.2	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-60	116.2	173	-160.3	164.8	-176.4	169.1	0	106.2	S250 E262 Y764	S250-K738 WeakPolarHBondContact CB-O 3.36Å; E262-K738 IonicContact OE1-NZ 3.07Å; E262-K738 PolarHBondContact OE1-NZ 3.45Å; E262-K738 VanDerWaalsContact OE1-NZ 3.16Å; K738-Y764 HydrophobicContact CB-CD1 4.13Å; K738-Y764 HydrophobicContact CB-CE1 4.04Å; K738-Y764 HydrophobicContact CB-CG 4.44Å; K738-Y764 HydrophobicContact CD-CE2 4.18Å; K738-Y764 HydrophobicContact CG-CE1 4.31Å; K738-Y764 HydrophobicContact CG-CE2 4.31Å
739	V	54.1	Low	60.1	Low	27 Å²	27	59.5 Å²	59.5	16%	0.164	31%	0.305	C	S	.	.	S	Bend	trans	-50	163.4	-159.9	-111.2	0	0	0	0	117	S250 L661 H687 I737	S250-V739 WeakPolarHBondContact CB-O 3.27Å; S250-V739 PolarHBondContact OG-O 3.4Å; L661-V739 HydrophobicContact CD1-CG1 4.45Å; H687-V739 WeakPolarHBondContact NE2-CG1 3.49Å; I737-V739 PolarHBondContact O-N 3.11Å; I737-V739 VanDerWaalsContact O-N 3.08Å
740	P	50.6	Low	57	Low	11 Å²	11	65.6 Å²	65.6	7%	0.071	34%	0.336	C	S	.	.			cis	-116	132.7	19.3	28.1	-7.5	0	0	0	117.6	S431 L461	S431-P740 WeakPolarHBondContact OG-CD 3.08Å; S431-P740 VanDerWaalsContact OG-CG 3.22Å; S431-P740 WeakPolarHBondContact OG-CG 3.33Å; L461-P740 HydrophobicContact CD1-CB 4.12Å; L461-P740 HydrophobicContact CD1-CG 3.76Å
741	Y	45.2	Very low	53.7	Low	92 Å²	92	71.5 Å²	71.5	36%	0.361	37%	0.368	S	S	.	.			trans	-59.3	128.8	177.8	178.7	-106.4	0	0	0	114.2	T660 L661 L662 D663 G743	T660-Y741 WeakPolarHBondContact O-CE1 3.4Å; L661-Y741 HydrophobicContact CD1-CD1 4.31Å; L661-Y741 HydrophobicContact CD1-CG 4.43Å; L661-Y741 WeakPolarHBondContact O-CD1 3.46Å; L661-Y741 WeakPolarHBondContact O-CD2 3.25Å; L661-Y741 WeakPolarHBondContact O-CE1 3.23Å; L662-Y741 PolarHBondContact O-OH 2.75Å; D663-Y741 HydrophobicContact CB-CE2 4.4Å; Y741-G743 VanDerWaalsContact CE1-CA 3.44Å
742	T	41.8	Very low	50.5	Low	21 Å²	21	75.1 Å²	75.1	13%	0.129	39%	0.392	C	S	.	.			trans	-93.1	-12.8	178.3	28.3	0	0	0	0	115.5	N122 E430 L434 K744	N122-T742 HydrophobicContact CB-CG2 4.5Å; N122-T742 WeakPolarHBondContact O-CB 3.45Å; E430-T742 HydrophobicContact CG-CG2 3.53Å; E430-T742 WeakPolarHBondContact OE1-CG2 3.49Å; E430-T742 PolarHBondContact OE1-OG1 3.06Å; L434-T742 HydrophobicContact CD1-CG2 3.73Å; L434-T742 HydrophobicContact CD2-CG2 4.38Å; L434-T742 HydrophobicContact CG-CG2 4.43Å; T742-K744 PolarHBondContact O-N 3.11Å
743	G	38.1	Very low	47.2	Very low	18 Å²	18	83.4 Å²	83.4	19%	0.186	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	58.7	3.8	170.6	0	0	0	0	0	118.5	K124 Y741	K124-G743 VanDerWaalsContact CE-C 3.41Å; K124-G743 VanDerWaalsContact CE-CA 3.44Å; K124-G743 WeakPolarHBondContact CE-O 3.45Å; Y741-G743 VanDerWaalsContact CE1-CA 3.44Å
744	K	35.3	Very low	44.3	Very low	83 Å²	83	94 Å²	94	36%	0.361	47%	0.472	S	S	.	.	S	Bend	trans	-87.8	136.1	155.3	-80.5	-172.5	171.6	162.7	0	109.4	N122 S123 K124 L126 T742 S746	N122-K744 WeakPolarHBondContact O-CB 3.22Å; S123-K744 VanDerWaalsContact O-CD 3.25Å; S123-K744 WeakPolarHBondContact O-CD 3.02Å; S123-K744 WeakPolarHBondContact O-CE 3.49Å; S123-K744 PolarHBondContact O-NZ 2.9Å; S123-K744 VanDerWaalsContact O-NZ 3.13Å; K124-K744 HydrophobicContact CG-CG 4.32Å; L126-K744 PolarHBondContact O-NZ 3.14Å; L126-K744 VanDerWaalsContact O-NZ 3.07Å; T742-K744 PolarHBondContact O-N 3.11Å; K744-S746 PolarHBondContact O-N 3.33Å
745	Q	36.8	Very low	41.6	Very low	134 Å²	134	94.4 Å²	94.4	63%	0.626	48%	0.481	S	S	*	.			trans	-56.5	123.5	165.2	-70.8	173.7	-57.1	0	0	108.4	D747	Q745-D747 PolarHBondContact O-N 3.24Å
746	S	31.6	Very low	38.9	Very low	97 Å²	97	97.7 Å²	97.7	68%	0.678	51%	0.511	S	S	*	.			trans	-72.2	85.4	159.6	46.8	0	0	0	0	108.3	K744 H748	K744-S746 PolarHBondContact O-N 3.33Å; S746-H748 PolarHBondContact O-N 3.48Å
747	D	30.1	Very low	36.5	Very low	132 Å²	132	99.4 Å²	99.4	71%	0.706	53%	0.532	S	S	*	.			trans	-76.9	1.2	160.3	-81.1	-12.2	0	0	0	111.4	Q745 I749	Q745-D747 PolarHBondContact O-N 3.24Å; D747-I749 PolarHBondContact O-N 3Å
748	H	27.9	Very low	34.6	Very low	148 Å²	148	106.4 Å²	106.4	69%	0.685	55%	0.552	S	S	*	*			trans	-76.7	98.6	172	-78	-58	0	0	0	111	S746 I750	S746-H748 PolarHBondContact O-N 3.48Å; H748-I750 HydrophobicContact CB-CG1 3.94Å; H748-I750 PolarHBondContact O-N 3.47Å
749	I	24.9	Very low	33.5	Very low	154 Å²	154	110.8 Å²	110.8	79%	0.79	58%	0.577	S	S	*	*			trans	-50.1	80.7	138.2	-55.7	167.4	0	0	0	106.6	D747 N751	D747-I749 PolarHBondContact O-N 3Å; I749-N751 PolarHBondContact O-N 3.27Å; I749-N751 VanDerWaalsContact O-N 3.11Å
750	I	29.1	Very low	32.7	Very low	128 Å²	128	115.2 Å²	115.2	66%	0.656	60%	0.604	S	S	*	*			trans	-68.7	110.2	164.4	-63	178.7	0	0	0	103.7	H748 S752	H748-I750 HydrophobicContact CB-CG1 3.94Å; H748-I750 PolarHBondContact O-N 3.47Å; I750-S752 VanDerWaalsContact C-N 3.26Å; I750-S752 PolarHBondContact O-N 2.81Å
751	N	24.4	Very low	32.6	Very low	140 Å²	140	119.4 Å²	119.4	75%	0.749	63%	0.631	S	S	*	*			trans	-43.2	96	164.4	-82.4	-29	0	0	0	108.6	I749 Q753	I749-N751 PolarHBondContact O-N 3.27Å; I749-N751 VanDerWaalsContact O-N 3.11Å; N751-Q753 PolarHBondContact O-N 3.01Å
752	S	26.1	Very low	33.2	Very low	92 Å²	92	118.2 Å²	118.2	64%	0.643	63%	0.629	S	S	*	*			trans	-76.8	69.3	179.1	51	0	0	0	0	108.6	I750 Y754	I750-S752 VanDerWaalsContact C-N 3.26Å; I750-S752 PolarHBondContact O-N 2.81Å; S752-Y754 VanDerWaalsContact C-N 3.27Å
753	Q	25.2	Very low	34.7	Very low	174 Å²	174	120.7 Å²	120.7	81%	0.813	64%	0.64	S	S	*	*	S	Bend	trans	-88.8	5.6	163	-75.7	-168.1	-25.5	0	0	112.4	N751	N751-Q753 PolarHBondContact O-N 3.01Å
754	Y	28	Very low	36.8	Very low	222 Å²	222	121.4 Å²	121.4	87%	0.871	64%	0.637	S	S	*	*			trans	-137.9	63.3	176.3	-69.6	-80	0	0	0	112.8	S752	S752-Y754 VanDerWaalsContact C-N 3.27Å
755	T	29.3	Very low	39.3	Very low	97 Å²	97	118.4 Å²	118.4	60%	0.595	63%	0.625	S	S	*	*			trans	-138.3	82	156.5	46.8	0	0	0	0	110	G757	T755-G757 PolarHBondContact O-N 2.67Å
756	S	27	Very low	41.7	Very low	131 Å²	131	112 Å²	112	92%	0.916	60%	0.595	S	S	*	*			trans	-76.2	95.5	161.4	58.6	0	0	0	0	108.7
757	G	29.8	Very low	44.5	Very low	48 Å²	48	107.9 Å²	107.9	50%	0.495	57%	0.566	S	S	.	*	S	Bend	trans	159.7	131.4	174.9	0	0	0	0	0	111.1	T755 D759	T755-G757 PolarHBondContact O-N 2.67Å; G757-D759 VanDerWaalsContact C-N 3.3Å; G757-D759 PolarHBondContact O-N 2.97Å
758	R	28.8	Very low	47.3	Very low	250 Å²	250	104.6 Å²	104.6	94%	0.943	54%	0.544	S	S	*	.			trans	-66.8	86.9	173.8	-73.3	179	-169.4	171.9	2.7	109.4	T760	R758-T760 PolarHBondContact O-N 3.38Å
759	D	38.6	Very low	50.1	Low	128 Å²	128	102.5 Å²	102.5	68%	0.684	54%	0.535	S	S	*	.			trans	-85.3	86.3	171.6	-68	-25.5	0	0	0	108.7	G757	G757-D759 VanDerWaalsContact C-N 3.3Å; G757-D759 PolarHBondContact O-N 2.97Å
760	T	38.2	Very low	53.1	Low	119 Å²	119	96.3 Å²	96.3	73%	0.73	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-62.1	124.2	157.5	47.1	0	0	0	0	107	R758 E762	R758-T760 PolarHBondContact O-N 3.38Å; T760-E762 PolarHBondContact O-N 2.82Å
761	P	47.4	Very low	55.7	Low	99 Å²	99	92.8 Å²	92.8	64%	0.643	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.1	125.6	179	19	-29	0	0	0	109.8	M763	P761-M763 PolarHBondContact O-N 3.36Å
762	E	59.3	Low	58.5	Low	67 Å²	67	94.5 Å²	94.5	31%	0.313	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-58.4	123.6	-179.5	-70.5	-171.2	176.8	0	0	109.5	S253 Q254 T760 Y764	S253-E762 VanDerWaalsContact C-OE1 3.22Å; S253-E762 WeakPolarHBondContact CA-OE1 3.03Å; S253-E762 PolarHBondContact N-OE1 3.07Å; Q254-E762 PolarHBondContact N-OE1 3.26Å; T760-E762 PolarHBondContact O-N 2.82Å; E762-Y764 PolarHBondContact O-N 3.32Å
763	M	73	Confident	61.4	Low	73 Å²	73	91.3 Å²	91.3	36%	0.36	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-77.2	122.4	176.2	-65.2	-176.2	-169.3	0	0	109.8	W622 Q730 S733 Q734 P761	W622-M763 HydrophobicContact CH2-SD 4.35Å; W622-M763 HydrophobicContact CZ3-SD 4.42Å; Q730-M763 VanDerWaalsContact NE2-CE 3.28Å; Q730-M763 PolarHBondContact NE2-SD 2.87Å; Q730-M763 VanDerWaalsContact NE2-SD 3.35Å; S733-M763 CarbonylContact O-C 3.28Å; S733-M763 VanDerWaalsContact O-CA 3.28Å; S733-M763 WeakPolarHBondContact O-CA 3.44Å; Q734-M763 HydrophobicContact CG-CG 4.41Å; P761-M763 PolarHBondContact O-N 3.36Å
764	Y	82.1	Confident	64.4	Low	33 Å²	33	85.7 Å²	85.7	13%	0.129	44%	0.439	C	S	.	.			trans	-130.2	113.7	175.8	169.5	-117.9	0	0	0	110.2	H687 S733 F736 K738 E762 P766	H687-Y764 AromaticContact CE1-CE1 3.66Å; H687-Y764 AromaticContact ND1-CE1 3.4Å; H687-Y764 WeakPolarHBondContact ND1-CE1 3.42Å; H687-Y764 AromaticContact ND1-CZ 3.74Å; H687-Y764 PolarHBondContact ND1-OH 3.47Å; H687-Y764 VanDerWaalsContact ND1-OH 3.16Å; S733-Y764 WeakPolarHBondContact CA-O 3.5Å; S733-Y764 PolarHBondContact O-N 2.78Å; F736-Y764 HydrophobicContact CB-CD1 3.82Å; F736-Y764 HydrophobicContact CB-CE1 4.31Å; F736-Y764 WeakPolarHBondContact CB-O 3.26Å; K738-Y764 HydrophobicContact CB-CD1 4.13Å; K738-Y764 HydrophobicContact CB-CE1 4.04Å; K738-Y764 HydrophobicContact CB-CG 4.44Å; K738-Y764 HydrophobicContact CD-CE2 4.18Å; K738-Y764 HydrophobicContact CG-CE1 4.31Å; K738-Y764 HydrophobicContact CG-CE2 4.31Å; E762-Y764 PolarHBondContact O-N 3.32Å; Y764-P766 HydrophobicContact CE1-CB 4.06Å; Y764-P766 HydrophobicContact CE1-CG 4.33Å; Y764-P766 HydrophobicContact CE2-CB 4.42Å
765	L	87.7	Confident	67.1	Low	20 Å²	20	81.6 Å²	81.6	11%	0.105	42%	0.423	C	S	.	.			trans	-111.8	107.8	177.5	-177.8	63.2	0	0	0	109.3	H620 W629 I729 L767	H620-L765 WeakPolarHBondContact CD2-CD2 3.18Å; W629-L765 HydrophobicContact CD2-CD2 3.91Å; W629-L765 HydrophobicContact CE3-CD2 4.27Å; W629-L765 HydrophobicContact CG-CD2 4.04Å; I729-L765 HydrophobicContact CG2-CD1 4.01Å; I729-L765 HydrophobicContact CG2-CD2 3.43Å; I729-L765 VanDerWaalsContact CG2-CD2 3.43Å; I729-L765 HydrophobicContact CG2-CG 4.38Å; L765-L767 HydrophobicContact CD1-CD1 4.06Å; L765-L767 HydrophobicContact CD1-CG 4.23Å; L765-L767 HydrophobicContact CD2-CD1 4.17Å; L765-L767 HydrophobicContact CG-CB 4.27Å; L765-L767 HydrophobicContact CG-CD1 4.11Å; L765-L767 HydrophobicContact CG-CG 4.15Å; L765-L767 PolarHBondContact O-N 3.28Å
766	P	88.1	Confident	69.3	Low	0 Å²	0	80 Å²	80	0%	0	41%	0.414	C	S	.	.			trans	-79.6	60.4	-178.3	32.9	-36.6	0	0	0	111.8	C683 S686 H687 F736 Y764	C683-P766 HydrophobicContact CB-CG 3.86Å; C683-P766 WeakPolarHBondContact O-CG 3.43Å; S686-P766 WeakPolarHBondContact CB-O 3.45Å; H687-P766 HydrophobicContact CB-CB 3.62Å; H687-P766 HydrophobicContact CB-CG 3.86Å; F736-P766 HydrophobicContact CD1-CG 3.96Å; F736-P766 HydrophobicContact CD2-CG 4.08Å; F736-P766 HydrophobicContact CE1-CG 4.09Å; F736-P766 HydrophobicContact CE2-CG 4.23Å; F736-P766 HydrophobicContact CG-CG 3.96Å; F736-P766 HydrophobicContact CZ-CG 4.23Å; Y764-P766 HydrophobicContact CE1-CB 4.06Å; Y764-P766 HydrophobicContact CE1-CG 4.33Å; Y764-P766 HydrophobicContact CE2-CB 4.42Å
767	L	90.6	Very high	71.4	Confident	11 Å²	11	79.4 Å²	79.4	6%	0.058	41%	0.41	C	S	.	.			trans	-121.5	116.3	172.5	-69.6	177.9	0	0	0	109	H620 I642 N682 L765	H620-L767 PolarHBondContact CE1-O 2.92Å; I642-L767 HydrophobicContact CD1-CD1 3.87Å; I642-L767 HydrophobicContact CG1-CD1 3.86Å; I642-L767 HydrophobicContact CG1-CD2 4.04Å; N682-L767 HydrophobicContact CB-CD2 3.94Å; L765-L767 HydrophobicContact CD1-CD1 4.06Å; L765-L767 HydrophobicContact CD1-CG 4.23Å; L765-L767 HydrophobicContact CD2-CD1 4.17Å; L765-L767 HydrophobicContact CG-CB 4.27Å; L765-L767 HydrophobicContact CG-CD1 4.11Å; L765-L767 HydrophobicContact CG-CG 4.15Å; L765-L767 PolarHBondContact O-N 3.28Å
768	Y	88.5	Confident	72.3	Confident	62 Å²	62	89.5 Å²	89.5	24%	0.243	45%	0.447	C	S	.	.			trans	-100.5	142.9	179	-58.4	-78.2	0	0	0	109.8	S641 S686 P692	S641-Y768 VanDerWaalsContact CA-O 3.32Å; S641-Y768 WeakPolarHBondContact CA-O 3.42Å; S641-Y768 WeakPolarHBondContact CB-O 3.32Å; S686-Y768 WeakPolarHBondContact O-CE2 3.37Å; P692-Y768 WeakPolarHBondContact CB-O 3.25Å
769	E	86.3	Confident	74.5	Confident	105 Å²	105	81.5 Å²	81.5	49%	0.491	42%	0.422	S	S	.	.			trans	-81.3	143.9	175.2	-66.8	-173.7	-176.2	0	0	111.7	H639 F640	H639-E769 IonicContact ND1-OE2 3.4Å; H639-E769 PolarHBondContact ND1-OE2 3.49Å; F640-E769 CarbonylContact O-C 3.04Å; F640-E769 WeakPolarHBondContact O-CA 3.4Å
770	N	87.3	Confident	76.4	Confident	24 Å²	24	79 Å²	79	13%	0.128	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-127.1	146.5	167.2	-171.2	4.9	0	0	0	109	R611 F640 P692 P693 Y772	R611-N770 PolarHBondContact NH2-ND2 3.46Å; F640-N770 VanDerWaalsContact CD1-O 3.27Å; F640-N770 WeakPolarHBondContact CD1-O 3.22Å; F640-N770 HydrophobicContact CE1-CB 4.21Å; F640-N770 WeakPolarHBondContact CE1-O 3.44Å; F640-N770 HydrophobicContact CE2-CB 3.93Å; F640-N770 HydrophobicContact CZ-CB 3.73Å; F640-N770 PolarHBondContact N-O 3.21Å; F640-N770 PolarHBondContact O-N 3.32Å; P692-N770 HydrophobicContact CB-CB 3.75Å; P692-N770 HydrophobicContact CG-CB 3.75Å; P693-N770 PolarHBondContact O-ND2 3.25Å; N770-Y772 PolarHBondContact OD1-N 3.2Å; N770-Y772 VanDerWaalsContact OD1-N 3.08Å
771	S	84.3	Confident	78.5	Confident	53 Å²	53	76.8 Å²	76.8	37%	0.371	39%	0.391	S	S	.	.			trans	-113.5	-2.7	179.4	62	0	0	0	0	114.8	K638	K638-S771 WeakPolarHBondContact O-CA 3.5Å; K638-S771 WeakPolarHBondContact O-CB 3.32Å
772	Y	83.8	Confident	80.4	Confident	176 Å²	176	75.5 Å²	75.5	69%	0.69	38%	0.376	S	S	*	.			trans	-110.9	129.2	-175.2	-61.3	-81.2	0	0	0	111.1	F640 N770	F640-Y772 WeakPolarHBondContact CZ-O 3.49Å; N770-Y772 PolarHBondContact OD1-N 3.2Å; N770-Y772 VanDerWaalsContact OD1-N 3.08Å
773	S	85.6	Confident	81.7	Confident	25 Å²	25	76 Å²	76	18%	0.175	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.3	168.7	-56	0	0	0	0	109.5	K695 Y775	K695-S773 WeakPolarHBondContact CD-OG 3.27Å; K695-S773 CarbonylContact O-C 3.48Å; K695-S773 VanDerWaalsContact O-CA 3.27Å; K695-S773 WeakPolarHBondContact O-CA 3.3Å; S773-Y775 WeakPolarHBondContact O-CD2 3.16Å; S773-Y775 WeakPolarHBondContact O-CE2 3.41Å
774	M	87.9	Confident	82.3	Confident	57 Å²	57	76.2 Å²	76.2	28%	0.281	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.2	176.9	-70.8	179.6	178.1	0	0	110.6	F600 T604 F608 I694 K695 V696 F697	F600-M774 HydrophobicContact CZ-CB 4.26Å; T604-M774 HydrophobicContact CG2-CB 4.36Å; T604-M774 HydrophobicContact CG2-CG 4.45Å; T604-M774 HydrophobicContact CG2-SD 3.25Å; T604-M774 WeakPolarHBondContact CG2-SD 3.31Å; F608-M774 HydrophobicContact CD2-CE 3.94Å; F608-M774 HydrophobicContact CD2-SD 4.3Å; F608-M774 HydrophobicContact CE2-CE 3.18Å; F608-M774 HydrophobicContact CE2-SD 3.86Å; F608-M774 HydrophobicContact CZ-CE 3.56Å; I694-M774 HydrophobicContact CD1-CE 4.17Å; I694-M774 HydrophobicContact CD1-SD 4.48Å; I694-M774 HydrophobicContact CG2-CE 4.21Å; I694-M774 HydrophobicContact CG2-CG 4.08Å; I694-M774 HydrophobicContact CG2-SD 3.66Å; K695-M774 PolarHBondContact O-N 3.12Å; V696-M774 HydrophobicContact CG1-CB 4.37Å; F697-M774 PolarHBondContact N-O 2.88Å
775	Y	84.9	Confident	82.3	Confident	136 Å²	136	79.3 Å²	79.3	53%	0.533	40%	0.399	S	S	.	.			trans	-118.7	143.1	-179.6	-62.5	-97.1	0	0	0	108.5	F600 F697 S773 S777	F600-Y775 WeakPolarHBondContact CZ-O 3.47Å; F697-Y775 HydrophobicContact CB-CD1 3.52Å; F697-Y775 HydrophobicContact CB-CE1 3.72Å; F697-Y775 HydrophobicContact CB-CG 4.22Å; F697-Y775 HydrophobicContact CD1-CD1 4.19Å; F697-Y775 HydrophobicContact CD1-CE1 4.35Å; F697-Y775 AromaticContact CD2-CD1 3.84Å; F697-Y775 HydrophobicContact CD2-CD1 3.84Å; F697-Y775 AromaticContact CD2-CE1 3.23Å; F697-Y775 HydrophobicContact CD2-CE1 3.23Å; F697-Y775 AromaticContact CE2-CE1 3.87Å; F697-Y775 HydrophobicContact CE2-CE1 3.87Å; F697-Y775 AromaticContact CG-CD1 3.58Å; F697-Y775 HydrophobicContact CG-CD1 3.58Å; F697-Y775 AromaticContact CG-CE1 3.5Å; F697-Y775 HydrophobicContact CG-CE1 3.5Å; S773-Y775 WeakPolarHBondContact O-CD2 3.16Å; S773-Y775 WeakPolarHBondContact O-CE2 3.41Å; Y775-S777 PolarHBondContact O-N 2.95Å
776	P	77.2	Confident	81.9	Confident	62 Å²	62	83.8 Å²	83.8	40%	0.403	42%	0.422	S	S	.	.			trans	-57.7	138.2	165.8	25	-31.1	0	0	0	108.3	F600 M778	F600-P776 HydrophobicContact CD2-CB 3.88Å; F600-P776 VanDerWaalsContact CE2-CA 3.42Å; F600-P776 HydrophobicContact CE2-CB 4.01Å; F600-P776 HydrophobicContact CG-CB 4.19Å; F600-P776 HydrophobicContact CZ-CB 4.42Å; F600-P776 VanDerWaalsContact CZ-N 3.25Å; P776-M778 PolarHBondContact O-N 2.86Å
777	S	70.9	Confident	81.3	Confident	119 Å²	119	90.8 Å²	90.8	83%	0.832	46%	0.457	S	S	*	.			trans	-58.2	113.6	167.2	54.1	0	0	0	0	107.1	Y775	Y775-S777 PolarHBondContact O-N 2.95Å
778	M	48.9	Very low	80.5	Confident	260 Å²	260	98.1 Å²	98.1	100%	1.281	49%	0.493	S	S	*	.			trans	-63.2	0	174.1	-76.5	-166	171.7	0	0	111.3	P776	P776-M778 PolarHBondContact O-N 2.86Å

Retrieved 778 of 778 residues in 1193.6 ms (Link to these results)

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