C7091_ARATH Loading...

Cytochrome P450 709B1

Involved in stress response (By similarity). Does not function as cytokinin hydroxylase in yeast heterologous system (Probable).

AlphaFold DB , UniProt , Accession Q9ASR3, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene CYP709B1, Length 519 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.9	Low	88.8	Confident	194 Å²	194	100.3 Å²	100.3	96%	0.956	56%	0.564	S	S	*	*				0	-49.4	0	-133.3	-177.6	-68.1	0	0	112.5	L3 V4 I5	M1-L3 PolarHBondContact O-N 2.9Å; M1-V4 PolarHBondContact O-N 3.22Å; M1-I5 HydrophobicContact CG-CD1 4.47Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 2.82Å
2	G	86.6	Confident	89.3	Confident	54 Å²	54	99.6 Å²	99.6	56%	0.557	56%	0.557	S	S	*	*	H	α-helix	trans	-57.3	-43.4	-178.1	0	0	0	0	0	116.1	V4 I5 F6	G2-V4 VanDerWaalsContact C-N 3.34Å; G2-V4 PolarHBondContact O-N 3.03Å; G2-I5 PolarHBondContact O-N 2.87Å; G2-F6 WeakPolarHBondContact O-CB 3.48Å; G2-F6 PolarHBondContact O-N 3.37Å
3	L	85.9	Confident	89.8	Confident	132 Å²	132	100.8 Å²	100.8	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-62.5	-39.2	178.7	-167.5	78.1	0	0	0	112.6	M1 F6 L7	M1-L3 PolarHBondContact O-N 2.9Å; L3-F6 PolarHBondContact O-N 2.86Å; L3-L7 HydrophobicContact CG-CD1 4.27Å; L3-L7 WeakPolarHBondContact O-CB 3.27Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 3.3Å
4	V	87.6	Confident	90.1	Very high	105 Å²	105	101.2 Å²	101.2	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-67.5	-42.5	179.2	178.5	0	0	0	0	110.6	M1 G2 L7 A8	M1-V4 PolarHBondContact O-N 3.22Å; G2-V4 VanDerWaalsContact C-N 3.34Å; G2-V4 PolarHBondContact O-N 3.03Å; V4-L7 PolarHBondContact O-N 3.07Å; V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.23Å
5	I	89.5	Confident	90.5	Very high	97 Å²	97	100.2 Å²	100.2	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-43.1	176.2	-64.3	168.9	0	0	0	110.4	M1 G2 A8 L9	M1-I5 HydrophobicContact CG-CD1 4.47Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 2.82Å; G2-I5 PolarHBondContact O-N 2.87Å; I5-A8 PolarHBondContact O-N 3.1Å; I5-L9 HydrophobicContact CG2-CD1 4.13Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 3.16Å
6	F	92	Very high	90.7	Very high	127 Å²	127	99.3 Å²	99.3	56%	0.557	54%	0.544	S	S	*	.	H	α-helix	trans	-62.1	-46.1	177.7	-178.7	-106.4	0	0	0	112.4	G2 L3 A8 L9 I10	G2-F6 WeakPolarHBondContact O-CB 3.48Å; G2-F6 PolarHBondContact O-N 3.37Å; L3-F6 PolarHBondContact O-N 2.86Å; F6-A8 PolarHBondContact O-N 3.03Å; F6-L9 PolarHBondContact O-N 2.94Å; F6-I10 HydrophobicContact CD1-CD1 3.79Å; F6-I10 HydrophobicContact CE1-CD1 3.32Å; F6-I10 HydrophobicContact CE1-CG1 4.38Å; F6-I10 HydrophobicContact CE2-CD1 4.38Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 3.67Å; F6-I10 HydrophobicContact CZ-CG1 4.4Å; F6-I10 WeakPolarHBondContact O-CG1 3.49Å; F6-I10 PolarHBondContact O-N 3.47Å
7	L	92.4	Very high	91	Very high	94 Å²	94	95.7 Å²	95.7	49%	0.492	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-41.8	175.1	-73	169	0	0	0	111.8	L3 V4 L9 I10 V11	L3-L7 HydrophobicContact CG-CD1 4.27Å; L3-L7 WeakPolarHBondContact O-CB 3.27Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 3.3Å; V4-L7 PolarHBondContact O-N 3.07Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.41Å; L7-I10 PolarHBondContact O-N 3.13Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 2.81Å
8	A	92.2	Very high	91.2	Very high	60 Å²	60	97 Å²	97	50%	0.496	54%	0.541	S	S	.	.	H	α-helix	trans	-61.5	-39.5	176.1	0	0	0	0	0	112.3	V4 I5 F6 V11 L12	V4-A8 WeakPolarHBondContact O-CB 3.43Å; V4-A8 PolarHBondContact O-N 3.23Å; I5-A8 PolarHBondContact O-N 3.1Å; F6-A8 PolarHBondContact O-N 3.03Å; A8-V11 PolarHBondContact O-N 2.68Å; A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.04Å
9	L	93.6	Very high	91.3	Very high	90 Å²	90	101.1 Å²	101.1	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-42.6	175	-74.5	168	0	0	0	112	I5 F6 L7 V11 L12 I13	I5-L9 HydrophobicContact CG2-CD1 4.13Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 3.16Å; F6-L9 PolarHBondContact O-N 2.94Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.41Å; L9-V11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 2.96Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.98Å
10	I	94	Very high	91.5	Very high	68 Å²	68	101.6 Å²	101.6	35%	0.349	55%	0.548	S	S	.	.	H	α-helix	trans	-60	-47.1	175.4	-70.2	169.6	0	0	0	110.5	F6 L7 L12 I13 L14	F6-I10 HydrophobicContact CD1-CD1 3.79Å; F6-I10 HydrophobicContact CE1-CD1 3.32Å; F6-I10 HydrophobicContact CE1-CG1 4.38Å; F6-I10 HydrophobicContact CE2-CD1 4.38Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 3.67Å; F6-I10 HydrophobicContact CZ-CG1 4.4Å; F6-I10 WeakPolarHBondContact O-CG1 3.49Å; F6-I10 PolarHBondContact O-N 3.47Å; L7-I10 PolarHBondContact O-N 3.13Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.64Å; I10-I13 PolarHBondContact O-N 2.86Å; I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.46Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.67Å
11	V	94.6	Very high	91.7	Very high	82 Å²	82	102.7 Å²	102.7	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-60.7	-42.7	177.9	172.4	0	0	0	0	110.7	L7 A8 L9 L14 I15	L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 2.81Å; A8-V11 PolarHBondContact O-N 2.68Å; L9-V11 PolarHBondContact O-N 3.23Å; V11-L14 PolarHBondContact O-N 3.28Å; V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 VanDerWaalsContact O-CG1 3.26Å; V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 3.18Å
12	L	94.4	Very high	92.8	Very high	92 Å²	92	99.3 Å²	99.3	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-45.3	176.8	-177.9	63.5	0	0	0	112	A8 L9 I10 L14 I15 I16	A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.04Å; L9-L12 PolarHBondContact O-N 2.96Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 2.64Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.88Å; L12-I15 PolarHBondContact O-N 3.15Å; L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.36Å; L12-I16 HydrophobicContact CG-CD1 3.87Å; L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.22Å; L12-I16 PolarHBondContact O-N 2.85Å
13	I	95.2	Very high	93.1	Very high	115 Å²	115	98.6 Å²	98.6	59%	0.59	52%	0.517	S	S	*	.	H	α-helix	trans	-61.2	-43.8	177	-69.3	165.3	0	0	0	110.6	L9 I10 I15 I16 G17	L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.98Å; I10-I13 PolarHBondContact O-N 2.86Å; I13-I15 PolarHBondContact O-N 2.89Å; I13-I16 PolarHBondContact O-N 3.11Å; I13-G17 PolarHBondContact O-N 3.18Å
14	L	95.1	Very high	93.6	Very high	107 Å²	107	97 Å²	97	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-44.5	176.2	-75.1	167.5	0	0	0	111.5	I10 V11 L12 G17 L18	I10-L14 HydrophobicContact CG2-CD1 3.92Å; I10-L14 HydrophobicContact CG2-CG 4.46Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.67Å; V11-L14 PolarHBondContact O-N 3.28Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.88Å; L14-G17 PolarHBondContact O-N 3.42Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.4Å
15	I	95	Very high	94	Very high	86 Å²	86	95 Å²	95	44%	0.441	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-46.7	176.9	-69.4	166.9	0	0	0	110.5	V11 L12 I13 L18 R19	V11-I15 HydrophobicContact CG1-CD1 3.8Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 VanDerWaalsContact O-CG1 3.26Å; V11-I15 WeakPolarHBondContact O-CG1 3.31Å; V11-I15 PolarHBondContact O-N 3.18Å; L12-I15 PolarHBondContact O-N 3.15Å; I13-I15 PolarHBondContact O-N 2.89Å; I15-L18 PolarHBondContact O-N 2.91Å; I15-R19 WeakPolarHBondContact O-CG 3.28Å; I15-R19 PolarHBondContact O-N 3.42Å
16	I	94.4	Very high	94.1	Very high	85 Å²	85	94 Å²	94	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-46.8	178.3	-68.5	169	0	0	0	110.2	L12 I13 L18 R19 I20	L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.36Å; L12-I16 HydrophobicContact CG-CD1 3.87Å; L12-I16 WeakPolarHBondContact O-CB 3.46Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.22Å; L12-I16 PolarHBondContact O-N 2.85Å; I13-I16 PolarHBondContact O-N 3.11Å; I16-L18 PolarHBondContact O-N 2.8Å; I16-R19 WeakPolarHBondContact O-CB 3.48Å; I16-R19 PolarHBondContact O-N 2.76Å; I16-R19 VanDerWaalsContact O-N 3.1Å; I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.28Å; I16-I20 PolarHBondContact O-N 2.79Å
17	G	95.9	Very high	94.2	Very high	39 Å²	39	89.2 Å²	89.2	40%	0.402	46%	0.464	S	S	.	.	H	α-helix	trans	-57.8	-45.4	177.2	0	0	0	0	0	112.5	I13 L14 R19 I20 F21	I13-G17 PolarHBondContact O-N 3.18Å; L14-G17 PolarHBondContact O-N 3.42Å; G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 3.29Å; G17-I20 PolarHBondContact O-N 2.93Å; G17-F21 WeakPolarHBondContact O-CB 3.5Å; G17-F21 PolarHBondContact O-N 2.8Å
18	L	94.8	Very high	94.4	Very high	119 Å²	119	87.4 Å²	87.4	62%	0.623	46%	0.457	S	S	*	.	H	α-helix	trans	-62.4	-37.9	174.8	-73.8	169.8	0	0	0	112.3	L14 I15 I16 K22	L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.14Å; L14-L18 PolarHBondContact O-N 3.4Å; I15-L18 PolarHBondContact O-N 2.91Å; I16-L18 PolarHBondContact O-N 2.8Å; L18-K22 VanDerWaalsContact O-CB 3.29Å; L18-K22 WeakPolarHBondContact O-CB 3.06Å; L18-K22 PolarHBondContact O-N 3.16Å
19	R	93.1	Very high	94.6	Very high	174 Å²	174	90.5 Å²	90.5	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-68.7	-42.7	176.6	-69	-72.5	-178.1	170.7	1	111.8	I15 I16 G17 K22 A23	I15-R19 WeakPolarHBondContact O-CG 3.28Å; I15-R19 PolarHBondContact O-N 3.42Å; I16-R19 WeakPolarHBondContact O-CB 3.48Å; I16-R19 PolarHBondContact O-N 2.76Å; I16-R19 VanDerWaalsContact O-N 3.1Å; G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 3.29Å; R19-K22 PolarHBondContact O-N 3.07Å; R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 2.87Å
20	I	94.1	Very high	94.6	Very high	112 Å²	112	90 Å²	90	57%	0.574	45%	0.451	S	S	*	.	H	α-helix	trans	-62.9	-46.8	175.2	-67.8	170.1	0	0	0	110	I16 G17 K22 A23 F24	I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.28Å; I16-I20 PolarHBondContact O-N 2.79Å; G17-I20 PolarHBondContact O-N 2.93Å; I20-K22 PolarHBondContact O-N 2.8Å; I20-A23 WeakPolarHBondContact O-CB 3.39Å; I20-A23 PolarHBondContact O-N 2.71Å; I20-F24 PolarHBondContact O-N 3.4Å
21	F	95.5	Very high	94.8	Very high	124 Å²	124	86.9 Å²	86.9	54%	0.544	44%	0.435	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176.8	-179.9	-104.4	0	0	0	111.4	G17 A23 F24 M25	G17-F21 WeakPolarHBondContact O-CB 3.5Å; G17-F21 PolarHBondContact O-N 2.8Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 2.91Å; F21-F24 WeakPolarHBondContact O-CB 3.46Å; F21-F24 PolarHBondContact O-N 3.2Å; F21-M25 HydrophobicContact CD1-CG 4.13Å; F21-M25 HydrophobicContact CE1-CG 3.73Å; F21-M25 HydrophobicContact CE1-SD 4.37Å; F21-M25 HydrophobicContact CE2-CG 4.15Å; F21-M25 HydrophobicContact CE2-SD 4.17Å; F21-M25 HydrophobicContact CZ-CG 3.74Å; F21-M25 HydrophobicContact CZ-SD 3.82Å; F21-M25 VanDerWaalsContact O-CG 3.28Å; F21-M25 WeakPolarHBondContact O-CG 3.33Å; F21-M25 PolarHBondContact O-N 3.15Å
22	K	93.7	Very high	94.8	Very high	123 Å²	123	88.5 Å²	88.5	54%	0.535	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-40.3	175.4	-172.9	173.7	-176.9	173.5	0	112.1	L18 R19 I20 M25 I26	L18-K22 VanDerWaalsContact O-CB 3.29Å; L18-K22 WeakPolarHBondContact O-CB 3.06Å; L18-K22 PolarHBondContact O-N 3.16Å; R19-K22 PolarHBondContact O-N 3.07Å; I20-K22 PolarHBondContact O-N 2.8Å; K22-M25 PolarHBondContact O-N 3.36Å; K22-I26 HydrophobicContact CG-CD1 3.98Å; K22-I26 WeakPolarHBondContact O-CG1 3.38Å; K22-I26 PolarHBondContact O-N 2.85Å; K22-I26 VanDerWaalsContact O-N 3.09Å
23	A	92.6	Very high	94.9	Very high	39 Å²	39	87.2 Å²	87.2	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-46.6	175.4	0	0	0	0	0	111.2	R19 I20 F21 M25 I26 L27	R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 2.87Å; I20-A23 WeakPolarHBondContact O-CB 3.39Å; I20-A23 PolarHBondContact O-N 2.71Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 2.91Å; A23-M25 VanDerWaalsContact C-N 3.32Å; A23-M25 PolarHBondContact O-N 3.36Å; A23-I26 PolarHBondContact O-N 3.23Å; A23-L27 HydrophobicContact CB-CD1 4.16Å; A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 VanDerWaalsContact O-CG 3.23Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.16Å
24	F	95.8	Very high	95	Very high	98 Å²	98	82.2 Å²	82.2	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-57.5	-44.2	174.3	174.1	-97.4	0	0	0	111.9	I20 F21 I26 V28 W29	I20-F24 PolarHBondContact O-N 3.4Å; F21-F24 WeakPolarHBondContact O-CB 3.46Å; F21-F24 PolarHBondContact O-N 3.2Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 3.2Å; F24-V28 HydrophobicContact CD2-CB 3.91Å; F24-V28 HydrophobicContact CD2-CG1 4.38Å; F24-V28 HydrophobicContact CD2-CG2 4.08Å; F24-V28 HydrophobicContact CE2-CB 3.83Å; F24-V28 HydrophobicContact CE2-CG1 3.8Å; F24-V28 HydrophobicContact CE2-CG2 4.29Å; F24-V28 HydrophobicContact CZ-CB 4.46Å; F24-V28 HydrophobicContact CZ-CG1 4.31Å; F24-V28 WeakPolarHBondContact O-CB 3.27Å; F24-V28 PolarHBondContact O-N 2.96Å; F24-W29 HydrophobicContact CD1-CB 4.48Å; F24-W29 HydrophobicContact CE1-CB 4.1Å; F24-W29 PolarHBondContact O-N 3.18Å
25	M	95.5	Very high	95.1	Very high	64 Å²	64	79.6 Å²	79.6	32%	0.315	39%	0.394	S	S	.	.	I	π-helix	trans	-60.9	-40	178.6	-72.4	-60.5	-71.4	0	0	112.4	F21 K22 A23 W29 H30	F21-M25 HydrophobicContact CD1-CG 4.13Å; F21-M25 HydrophobicContact CE1-CG 3.73Å; F21-M25 HydrophobicContact CE1-SD 4.37Å; F21-M25 HydrophobicContact CE2-CG 4.15Å; F21-M25 HydrophobicContact CE2-SD 4.17Å; F21-M25 HydrophobicContact CZ-CG 3.74Å; F21-M25 HydrophobicContact CZ-SD 3.82Å; F21-M25 VanDerWaalsContact O-CG 3.28Å; F21-M25 WeakPolarHBondContact O-CG 3.33Å; F21-M25 PolarHBondContact O-N 3.15Å; K22-M25 PolarHBondContact O-N 3.36Å; A23-M25 VanDerWaalsContact C-N 3.32Å; A23-M25 PolarHBondContact O-N 3.36Å; M25-W29 HydrophobicContact CE-CB 4.45Å; M25-W29 HydrophobicContact CE-CG 4.04Å; M25-W29 HydrophobicContact SD-CB 3.83Å; M25-W29 HydrophobicContact SD-CG 3.81Å; M25-H30 WeakPolarHBondContact O-CB 3.31Å; M25-H30 PolarHBondContact O-N 3.25Å
26	I	92.8	Very high	95.2	Very high	77 Å²	77	83 Å²	83	40%	0.395	40%	0.401	S	S	.	.	I	π-helix	trans	-80.2	-41.2	-178.9	-66.8	167.5	0	0	0	112	K22 A23 F24 P31 T102	K22-I26 HydrophobicContact CG-CD1 3.98Å; K22-I26 WeakPolarHBondContact O-CG1 3.38Å; K22-I26 PolarHBondContact O-N 2.85Å; K22-I26 VanDerWaalsContact O-N 3.09Å; A23-I26 PolarHBondContact O-N 3.23Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 3.2Å; I26-P31 VanDerWaalsContact O-CD 3.24Å; I26-P31 WeakPolarHBondContact O-CD 3.14Å; I26-T102 HydrophobicContact CG2-CG2 4.07Å
27	L	94.2	Very high	95.2	Very high	25 Å²	25	83.4 Å²	83.4	13%	0.131	40%	0.398	C	S	.	.	I	π-helix	trans	-89.1	-23.8	-169.9	-65.6	169.6	0	0	0	113.4	A23 Y48 I50 F51 T102	A23-L27 HydrophobicContact CB-CD1 4.16Å; A23-L27 WeakPolarHBondContact O-CB 3.49Å; A23-L27 VanDerWaalsContact O-CG 3.23Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.16Å; L27-Y48 WeakPolarHBondContact O-CE1 3.48Å; L27-Y48 PolarHBondContact O-OH 3.38Å; L27-I50 HydrophobicContact CB-CG2 4.22Å; L27-F51 HydrophobicContact CD1-CD1 4.11Å; L27-F51 HydrophobicContact CD1-CE1 3.37Å; L27-F51 HydrophobicContact CD1-CE2 4.41Å; L27-F51 HydrophobicContact CD1-CZ 3.55Å; L27-F51 HydrophobicContact CD2-CD1 3.59Å; L27-F51 HydrophobicContact CD2-CE1 3.75Å; L27-F51 HydrophobicContact CD2-CG 4.22Å; L27-F51 HydrophobicContact CD2-CZ 4.48Å; L27-F51 HydrophobicContact CG-CE1 4.23Å; L27-T102 HydrophobicContact CD2-CG2 3.61Å
28	V	95.7	Very high	95.3	Very high	57 Å²	57	81.6 Å²	81.6	35%	0.345	38%	0.379	S	S	.	.	I	π-helix	trans	-127.8	-58.8	-173.3	-176.4	0	0	0	0	110.9	F24 F32 I50	F24-V28 HydrophobicContact CD2-CB 3.91Å; F24-V28 HydrophobicContact CD2-CG1 4.38Å; F24-V28 HydrophobicContact CD2-CG2 4.08Å; F24-V28 HydrophobicContact CE2-CB 3.83Å; F24-V28 HydrophobicContact CE2-CG1 3.8Å; F24-V28 HydrophobicContact CE2-CG2 4.29Å; F24-V28 HydrophobicContact CZ-CB 4.46Å; F24-V28 HydrophobicContact CZ-CG1 4.31Å; F24-V28 WeakPolarHBondContact O-CB 3.27Å; F24-V28 PolarHBondContact O-N 2.96Å; V28-F32 VanDerWaalsContact O-CB 3.29Å; V28-F32 WeakPolarHBondContact O-CB 3.39Å; V28-F32 PolarHBondContact O-N 3.45Å; V28-I50 HydrophobicContact CG2-CD1 4.3Å
29	W	96	Very high	95.3	Very high	124 Å²	124	82.9 Å²	82.9	47%	0.47	38%	0.379	S	S	.	.	I	π-helix	trans	-65.6	-51.1	-172.1	-174.9	-103.5	0	0	0	112.8	F24 M25 F32 V33	F24-W29 HydrophobicContact CD1-CB 4.48Å; F24-W29 HydrophobicContact CE1-CB 4.1Å; F24-W29 PolarHBondContact O-N 3.18Å; M25-W29 HydrophobicContact CE-CB 4.45Å; M25-W29 HydrophobicContact CE-CG 4.04Å; M25-W29 HydrophobicContact SD-CB 3.83Å; M25-W29 HydrophobicContact SD-CG 3.81Å; W29-F32 PolarHBondContact O-N 2.85Å; W29-V33 HydrophobicContact CD2-CG2 3.99Å; W29-V33 HydrophobicContact CG-CG2 4.32Å; W29-V33 HydrophobicContact CZ2-CG2 3.85Å; W29-V33 WeakPolarHBondContact O-CG2 3.22Å; W29-V33 PolarHBondContact O-N 2.89Å
30	H	95.4	Very high	95.5	Very high	81 Å²	81	80.8 Å²	80.8	38%	0.375	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-48.9	-178.8	173.9	-86.2	0	0	0	112.1	M25 F32 V33 L34	M25-H30 WeakPolarHBondContact O-CB 3.31Å; M25-H30 PolarHBondContact O-N 3.25Å; H30-F32 VanDerWaalsContact C-N 3.33Å; H30-F32 PolarHBondContact O-N 3.1Å; H30-V33 PolarHBondContact O-N 2.92Å; H30-L34 VanDerWaalsContact O-CB 3.27Å; H30-L34 WeakPolarHBondContact O-CB 3.37Å; H30-L34 PolarHBondContact O-N 3.47Å
31	P	96.3	Very high	95.6	Very high	2 Å²	2	78 Å²	78	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-57.1	-42.6	173	-26.7	34.6	0	0	0	114.5	I26 T35 Y48 W99	I26-P31 VanDerWaalsContact O-CD 3.24Å; I26-P31 WeakPolarHBondContact O-CD 3.14Å; P31-T35 WeakPolarHBondContact O-CB 3.35Å; P31-T35 PolarHBondContact O-N 3.04Å; P31-T35 PolarHBondContact O-OG1 3.35Å; P31-Y48 HydrophobicContact CB-CD1 3.73Å; P31-Y48 HydrophobicContact CB-CD2 4.15Å; P31-Y48 HydrophobicContact CB-CE1 3.9Å; P31-Y48 HydrophobicContact CB-CE2 4.27Å; P31-Y48 HydrophobicContact CB-CG 3.87Å; P31-Y48 HydrophobicContact CG-CD1 4.19Å; P31-Y48 HydrophobicContact CG-CD2 4.45Å; P31-Y48 HydrophobicContact CG-CE1 3.82Å; P31-Y48 HydrophobicContact CG-CE2 4.07Å; P31-Y48 HydrophobicContact CG-CG 4.49Å; P31-W99 HydrophobicContact CB-CH2 3.75Å; P31-W99 HydrophobicContact CB-CZ2 3.86Å; P31-W99 HydrophobicContact CB-CZ3 4.06Å; P31-W99 HydrophobicContact CG-CE3 4.49Å; P31-W99 HydrophobicContact CG-CH2 4.06Å; P31-W99 HydrophobicContact CG-CZ3 3.95Å
32	F	96.1	Very high	95.6	Very high	116 Å²	116	75.2 Å²	75.2	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-52.5	178.4	174.7	-101.3	0	0	0	112.3	V28 W29 H30 L34 T35 R36	V28-F32 VanDerWaalsContact O-CB 3.29Å; V28-F32 WeakPolarHBondContact O-CB 3.39Å; V28-F32 PolarHBondContact O-N 3.45Å; W29-F32 PolarHBondContact O-N 2.85Å; H30-F32 VanDerWaalsContact C-N 3.33Å; H30-F32 PolarHBondContact O-N 3.1Å; F32-L34 PolarHBondContact O-N 3.29Å; F32-T35 PolarHBondContact O-N 2.85Å; F32-R36 WeakPolarHBondContact O-CB 3.27Å; F32-R36 PolarHBondContact O-N 3.42Å
33	V	96.3	Very high	95.7	Very high	64 Å²	64	69.7 Å²	69.7	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-45.1	-178.3	172.7	0	0	0	0	111.1	W29 H30 R36 R37	W29-V33 HydrophobicContact CD2-CG2 3.99Å; W29-V33 HydrophobicContact CG-CG2 4.32Å; W29-V33 HydrophobicContact CZ2-CG2 3.85Å; W29-V33 WeakPolarHBondContact O-CG2 3.22Å; W29-V33 PolarHBondContact O-N 2.89Å; H30-V33 PolarHBondContact O-N 2.92Å; V33-R36 PolarHBondContact O-N 3.03Å; V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 PolarHBondContact O-N 2.8Å
34	L	96.7	Very high	95.9	Very high	11 Å²	11	70 Å²	70	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-44.6	-179.2	-170.8	75	0	0	0	111.8	H30 F32 R36 R37 L38 W99 P104 P409	H30-L34 VanDerWaalsContact O-CB 3.27Å; H30-L34 WeakPolarHBondContact O-CB 3.37Å; H30-L34 PolarHBondContact O-N 3.47Å; F32-L34 PolarHBondContact O-N 3.29Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.44Å; L34-R37 PolarHBondContact O-N 3.11Å; L34-L38 HydrophobicContact CD2-CD1 4.49Å; L34-L38 HydrophobicContact CG-CD1 4.07Å; L34-L38 PolarHBondContact O-N 3.45Å; L34-W99 HydrophobicContact CB-CH2 4.19Å; L34-W99 HydrophobicContact CB-CZ2 4.34Å; L34-W99 HydrophobicContact CD2-CH2 3.58Å; L34-W99 HydrophobicContact CD2-CZ2 3.95Å; L34-W99 HydrophobicContact CG-CH2 4.48Å; L34-P104 HydrophobicContact CD2-CB 3.25Å; L34-P104 HydrophobicContact CD2-CG 3.36Å; L34-P409 HydrophobicContact CD1-CB 3.67Å; L34-P409 HydrophobicContact CD1-CG 3.53Å
35	T	96.8	Very high	96	Very high	52 Å²	52	66.2 Å²	66.2	32%	0.319	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-43.3	177	-58.3	0	0	0	0	110.6	P31 F32 L38 K39 L97	P31-T35 WeakPolarHBondContact O-CB 3.35Å; P31-T35 PolarHBondContact O-N 3.04Å; P31-T35 PolarHBondContact O-OG1 3.35Å; F32-T35 PolarHBondContact O-N 2.85Å; T35-L38 PolarHBondContact O-N 3.27Å; T35-K39 VanDerWaalsContact O-CB 3.25Å; T35-K39 WeakPolarHBondContact O-CB 3.5Å; T35-K39 PolarHBondContact O-N 2.88Å; T35-L97 HydrophobicContact CG2-CD2 4.23Å
36	R	96.5	Very high	96.1	Very high	156 Å²	156	63.6 Å²	63.6	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-64	-43.2	176.5	-170.9	174.9	-178.1	177.2	-0.1	112.1	F32 V33 L34 L38 K39 N40	F32-R36 WeakPolarHBondContact O-CB 3.27Å; F32-R36 PolarHBondContact O-N 3.42Å; V33-R36 PolarHBondContact O-N 3.03Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.44Å; R36-L38 PolarHBondContact O-N 2.85Å; R36-K39 PolarHBondContact O-N 3.24Å; R36-N40 VanDerWaalsContact O-CG 3.31Å; R36-N40 PolarHBondContact O-N 3.44Å; R36-N40 PolarHBondContact O-OD1 2.78Å
37	R	96.2	Very high	96.2	Very high	95 Å²	95	66.7 Å²	66.7	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-43.3	178.2	-175.1	176.9	179.3	172.5	3.1	112.1	V33 L34 E407	V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 PolarHBondContact O-N 2.8Å; L34-R37 PolarHBondContact O-N 3.11Å; R37-E407 IonicContact CZ-OE2 2.73Å; R37-E407 IonicContact NE-OE2 2.81Å; R37-E407 IonicContact NH2-OE2 2.64Å; R37-E407 PolarHBondContact NH2-OE2 3.18Å
38	L	96.3	Very high	96.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-73.3	-35.6	178.8	-70.4	172	0	0	0	111.9	L34 T35 R36 N40 Q41 G42 I43 L97 I106	L34-L38 HydrophobicContact CD2-CD1 4.49Å; L34-L38 HydrophobicContact CG-CD1 4.07Å; L34-L38 PolarHBondContact O-N 3.45Å; T35-L38 PolarHBondContact O-N 3.27Å; R36-L38 PolarHBondContact O-N 2.85Å; L38-N40 VanDerWaalsContact C-N 3.29Å; L38-N40 PolarHBondContact O-N 3.2Å; L38-Q41 CarbonylContact O-C 3.57Å; L38-Q41 WeakPolarHBondContact O-CA 3.45Å; L38-Q41 WeakPolarHBondContact O-CB 3.33Å; L38-Q41 PolarHBondContact O-N 3.28Å; L38-G42 PolarHBondContact O-N 3.12Å; L38-I43 CarbonylContact C-O 3.39Å; L38-I43 HydrophobicContact CB-CB 4.22Å; L38-I43 HydrophobicContact CD2-CD1 4.25Å; L38-I43 PolarHBondContact O-N 3.39Å; L38-L97 HydrophobicContact CD1-CB 4.47Å; L38-L97 HydrophobicContact CD1-CD1 3.78Å; L38-L97 HydrophobicContact CD1-CD2 3.82Å; L38-L97 HydrophobicContact CD1-CG 4.23Å; L38-I106 HydrophobicContact CD1-CD1 3.78Å; L38-I106 HydrophobicContact CD1-CG1 4.13Å; L38-I106 HydrophobicContact CD2-CD1 3.7Å; L38-I106 HydrophobicContact CG-CD1 4.42Å
39	K	96.2	Very high	96.3	Very high	147 Å²	147	71.8 Å²	71.8	64%	0.639	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-37.8	173	-170.5	176.7	-177.9	179.3	0	112.4	T35 R36 Q41 G42 I43	T35-K39 VanDerWaalsContact O-CB 3.25Å; T35-K39 WeakPolarHBondContact O-CB 3.5Å; T35-K39 PolarHBondContact O-N 2.88Å; R36-K39 PolarHBondContact O-N 3.24Å; K39-Q41 PolarHBondContact O-N 3.47Å; K39-G42 PolarHBondContact O-N 2.81Å; K39-I43 VanDerWaalsContact CA-O 3.28Å; K39-I43 WeakPolarHBondContact CA-O 3.39Å; K39-I43 PolarHBondContact N-O 3.21Å
40	N	96.2	Very high	96.2	Very high	130 Å²	130	70.1 Å²	70.1	70%	0.695	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19	174	-69.8	-4.9	0	0	0	113.3	R36 L38	R36-N40 VanDerWaalsContact O-CG 3.31Å; R36-N40 PolarHBondContact O-N 3.44Å; R36-N40 PolarHBondContact O-OD1 2.78Å; L38-N40 VanDerWaalsContact C-N 3.29Å; L38-N40 PolarHBondContact O-N 3.2Å
41	Q	96.2	Very high	95.8	Very high	54 Å²	54	71.5 Å²	71.5	25%	0.252	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10.5	173.2	-60	-179.2	69.8	0	0	112.4	L38 K39 I43 E407	L38-Q41 CarbonylContact O-C 3.57Å; L38-Q41 WeakPolarHBondContact O-CA 3.45Å; L38-Q41 WeakPolarHBondContact O-CB 3.33Å; L38-Q41 PolarHBondContact O-N 3.28Å; K39-Q41 PolarHBondContact O-N 3.47Å; Q41-I43 VanDerWaalsContact C-N 3.34Å; Q41-E407 PolarHBondContact NE2-O 2.94Å
42	G	95.6	Very high	95.6	Very high	64 Å²	64	77.6 Å²	77.6	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	0.7	-178.3	0	0	0	0	0	115.1	L38 K39	L38-G42 PolarHBondContact O-N 3.12Å; K39-G42 PolarHBondContact O-N 2.81Å
43	I	96.7	Very high	95.5	Very high	7 Å²	7	72.1 Å²	72.1	4%	0.036	36%	0.357	C	S	.	.			trans	-90.7	112.6	-179.6	-58.4	175.2	0	0	0	109.7	L38 K39 Q41 T95 L97 I106 L406	L38-I43 CarbonylContact C-O 3.39Å; L38-I43 HydrophobicContact CB-CB 4.22Å; L38-I43 HydrophobicContact CD2-CD1 4.25Å; L38-I43 PolarHBondContact O-N 3.39Å; K39-I43 VanDerWaalsContact CA-O 3.28Å; K39-I43 WeakPolarHBondContact CA-O 3.39Å; K39-I43 PolarHBondContact N-O 3.21Å; Q41-I43 VanDerWaalsContact C-N 3.34Å; I43-T95 HydrophobicContact CD1-CG2 3.85Å; I43-T95 HydrophobicContact CG1-CG2 3.95Å; I43-T95 HydrophobicContact CG2-CG2 4.38Å; I43-L97 HydrophobicContact CG2-CB 4.05Å; I43-I106 HydrophobicContact CD1-CD1 4.49Å; I43-I106 HydrophobicContact CD1-CG2 4.44Å; I43-L406 HydrophobicContact CD1-CD1 4.02Å; I43-L406 HydrophobicContact CD1-CD2 3.8Å; I43-L406 HydrophobicContact CD1-CG 4.41Å; I43-L406 HydrophobicContact CG1-CD2 4.36Å
44	S	96.5	Very high	95.5	Very high	46 Å²	46	69 Å²	69	32%	0.322	34%	0.338	S	S	.	.			trans	-111.1	-177.7	174.3	72.3	0	0	0	0	111.4	F96 L97	S44-F96 CarbonylContact O-C 3.51Å; S44-F96 WeakPolarHBondContact O-CA 3.33Å; S44-F96 WeakPolarHBondContact O-CB 3.29Å; S44-L97 PolarHBondContact O-N 2.87Å
45	G	97.5	Very high	95.4	Very high	19 Å²	19	68.8 Å²	68.8	20%	0.196	34%	0.337	C	S	.	.			trans	170.3	179.8	-179.8	0	0	0	0	0	113.4	L97	G45-L97 WeakPolarHBondContact CA-O 3.33Å
46	P	97.6	Very high	95.3	Very high	8 Å²	8	68.8 Å²	68.8	5%	0.052	34%	0.339	C	S	.	.	S	Bend	trans	-60.5	144.6	179.7	29.9	-41.2	0	0	0	112.2	Y48 N54 W88 Y92 L97	P46-Y48 PolarHBondContact O-N 3.48Å; P46-N54 WeakPolarHBondContact CB-ND2 3.41Å; P46-W88 HydrophobicContact CB-CZ2 4.08Å; P46-W88 HydrophobicContact CG-CD2 3.9Å; P46-W88 HydrophobicContact CG-CE3 4.32Å; P46-W88 HydrophobicContact CG-CG 4.4Å; P46-W88 HydrophobicContact CG-CH2 4.06Å; P46-W88 HydrophobicContact CG-CZ2 3.69Å; P46-W88 HydrophobicContact CG-CZ3 4.37Å; P46-Y92 HydrophobicContact CB-CE2 4.37Å; P46-L97 WeakPolarHBondContact CD-O 3.3Å
47	N	95.9	Very high	95.2	Very high	143 Å²	143	63.3 Å²	63.3	77%	0.765	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-58.9	135.9	-179.1	-71.8	-31.2	0	0	0	112.2	N54	N47-N54 PolarHBondContact O-ND2 3.35Å
48	Y	96.9	Very high	95.2	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.184	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-66	133.1	172.2	174.1	-102.2	0	0	0	111	L27 P31 P46 I50 F51 W99 G101	L27-Y48 WeakPolarHBondContact O-CE1 3.48Å; L27-Y48 PolarHBondContact O-OH 3.38Å; P31-Y48 HydrophobicContact CB-CD1 3.73Å; P31-Y48 HydrophobicContact CB-CD2 4.15Å; P31-Y48 HydrophobicContact CB-CE1 3.9Å; P31-Y48 HydrophobicContact CB-CE2 4.27Å; P31-Y48 HydrophobicContact CB-CG 3.87Å; P31-Y48 HydrophobicContact CG-CD1 4.19Å; P31-Y48 HydrophobicContact CG-CD2 4.45Å; P31-Y48 HydrophobicContact CG-CE1 3.82Å; P31-Y48 HydrophobicContact CG-CE2 4.07Å; P31-Y48 HydrophobicContact CG-CG 4.49Å; P46-Y48 PolarHBondContact O-N 3.48Å; Y48-I50 HydrophobicContact CE1-CG1 4.3Å; Y48-F51 PolarHBondContact OH-N 3.32Å; Y48-W99 HydrophobicContact CD2-CB 3.67Å; Y48-W99 AromaticContact CD2-CD1 3.87Å; Y48-W99 AromaticContact CD2-CD2 3.59Å; Y48-W99 HydrophobicContact CD2-CD2 3.59Å; Y48-W99 AromaticContact CD2-CE3 4Å; Y48-W99 HydrophobicContact CD2-CE3 4Å; Y48-W99 AromaticContact CD2-CG 3.43Å; Y48-W99 HydrophobicContact CD2-CG 3.43Å; Y48-W99 VanDerWaalsContact CD2-CG 3.43Å; Y48-W99 HydrophobicContact CE2-CB 4.19Å; Y48-W99 HydrophobicContact CE2-CD2 4.12Å; Y48-W99 HydrophobicContact CE2-CE3 4.05Å; Y48-W99 HydrophobicContact CE2-CG 4.19Å; Y48-W99 HydrophobicContact CG-CD2 4.43Å; Y48-W99 HydrophobicContact CG-CG 4.32Å; Y48-G101 WeakPolarHBondContact CE2-O 3.47Å
49	R	95.2	Very high	95.1	Very high	142 Å²	142	62.6 Å²	62.6	54%	0.536	32%	0.32	S	S	.	.			trans	-109.5	133.4	169	-53.5	-177.1	179.9	-165.8	0.4	109.7	F51 Y52 G53	R49-F51 PolarHBondContact O-N 2.9Å; R49-Y52 PolarHBondContact O-N 3.46Å; R49-G53 VanDerWaalsContact CB-O 3.3Å; R49-G53 WeakPolarHBondContact CB-O 3.46Å; R49-G53 PolarHBondContact N-O 2.94Å; R49-G53 WeakPolarHBondContact O-CA 3.46Å; R49-G53 PolarHBondContact O-N 3Å
50	I	92.7	Very high	95.1	Very high	88 Å²	88	61.8 Å²	61.8	45%	0.451	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	136.4	-178.9	-55.5	179.4	0	0	0	109.8	L27 V28 Y48 Y52	L27-I50 HydrophobicContact CB-CG2 4.22Å; V28-I50 HydrophobicContact CG2-CD1 4.3Å; Y48-I50 HydrophobicContact CE1-CG1 4.3Å; I50-Y52 VanDerWaalsContact O-CD2 3.31Å; I50-Y52 WeakPolarHBondContact O-CD2 3.4Å; I50-Y52 PolarHBondContact O-N 3.3Å
51	F	87.4	Confident	95.1	Very high	110 Å²	110	56.3 Å²	56.3	48%	0.482	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	-45.4	-173.8	-59.8	-75.5	0	0	0	116.4	L27 Y48 R49 G101	L27-F51 HydrophobicContact CD1-CD1 4.11Å; L27-F51 HydrophobicContact CD1-CE1 3.37Å; L27-F51 HydrophobicContact CD1-CE2 4.41Å; L27-F51 HydrophobicContact CD1-CZ 3.55Å; L27-F51 HydrophobicContact CD2-CD1 3.59Å; L27-F51 HydrophobicContact CD2-CE1 3.75Å; L27-F51 HydrophobicContact CD2-CG 4.22Å; L27-F51 HydrophobicContact CD2-CZ 4.48Å; L27-F51 HydrophobicContact CG-CE1 4.23Å; Y48-F51 PolarHBondContact OH-N 3.32Å; R49-F51 PolarHBondContact O-N 2.9Å; F51-G101 WeakPolarHBondContact O-CA 3.29Å
52	Y	91.6	Very high	95.1	Very high	131 Å²	131	55 Å²	55	51%	0.514	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-21.3	-169.2	-60	-85	0	0	0	113.6	R49 I50 N54 L55 G101 V248	R49-Y52 PolarHBondContact O-N 3.46Å; I50-Y52 VanDerWaalsContact O-CD2 3.31Å; I50-Y52 WeakPolarHBondContact O-CD2 3.4Å; I50-Y52 PolarHBondContact O-N 3.3Å; Y52-N54 PolarHBondContact O-N 2.76Å; Y52-L55 VanDerWaalsContact O-CB 3.29Å; Y52-L55 WeakPolarHBondContact O-CB 3.44Å; Y52-L55 WeakPolarHBondContact O-CG 3.4Å; Y52-L55 PolarHBondContact O-N 3.5Å; Y52-L55 VanDerWaalsContact O-N 3.09Å; Y52-G101 PolarHBondContact O-N 2.82Å; Y52-V248 HydrophobicContact CD1-CG2 3.26Å; Y52-V248 HydrophobicContact CE1-CG2 3.73Å; Y52-V248 HydrophobicContact CG-CG2 4.04Å
53	G	95.1	Very high	95	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	55.6	-123	-166.6	0	0	0	0	0	109.8	R49 G101	R49-G53 VanDerWaalsContact CB-O 3.3Å; R49-G53 WeakPolarHBondContact CB-O 3.46Å; R49-G53 PolarHBondContact N-O 2.94Å; R49-G53 WeakPolarHBondContact O-CA 3.46Å; R49-G53 PolarHBondContact O-N 3Å; G53-G101 WeakPolarHBondContact CA-O 3.27Å; G53-G101 PolarHBondContact N-O 2.72Å
54	N	96.3	Very high	94.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	8	177.5	-54.1	103.3	0	0	0	113.4	P46 N47 Y52 S56 E57 I58 W88 W99	P46-N54 WeakPolarHBondContact CB-ND2 3.41Å; N47-N54 PolarHBondContact O-ND2 3.35Å; Y52-N54 PolarHBondContact O-N 2.76Å; N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 2.94Å; N54-E57 PolarHBondContact O-N 3.22Å; N54-E57 VanDerWaalsContact O-N 3.12Å; N54-I58 HydrophobicContact CB-CD1 4.38Å; N54-I58 WeakPolarHBondContact O-CG1 3.26Å; N54-I58 PolarHBondContact O-N 2.97Å; N54-W88 HydrophobicContact CB-CH2 3.65Å; N54-W88 HydrophobicContact CB-CZ2 4.01Å; N54-W99 PolarHBondContact N-O 2.97Å; N54-W99 PolarHBondContact OD1-N 3.45Å
55	L	94.9	Very high	94.8	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-39.2	-173.1	-77.2	172.1	0	0	0	114.3	Y52 I58 K59 N100 Q247 V248	Y52-L55 VanDerWaalsContact O-CB 3.29Å; Y52-L55 WeakPolarHBondContact O-CB 3.44Å; Y52-L55 WeakPolarHBondContact O-CG 3.4Å; Y52-L55 PolarHBondContact O-N 3.5Å; Y52-L55 VanDerWaalsContact O-N 3.09Å; L55-I58 PolarHBondContact O-N 2.88Å; L55-K59 VanDerWaalsContact O-CB 3.29Å; L55-K59 WeakPolarHBondContact O-CB 3.46Å; L55-K59 PolarHBondContact O-N 2.9Å; L55-N100 WeakPolarHBondContact CD1-OD1 2.94Å; L55-N100 VanDerWaalsContact CD2-OD1 3.3Å; L55-N100 WeakPolarHBondContact CD2-OD1 3.45Å; L55-Q247 WeakPolarHBondContact CD1-O 3.49Å; L55-V248 HydrophobicContact CD1-CG2 4.01Å
56	S	93.7	Very high	94.5	Very high	52 Å²	52	64.8 Å²	64.8	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-38.6	178.7	53.4	0	0	0	0	112.2	N54 K60	N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 2.94Å; S56-K60 PolarHBondContact O-N 2.88Å
57	E	95.4	Very high	94.2	Very high	41 Å²	41	71.4 Å²	71.4	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-44.9	175.7	-154	-166	158.9	0	0	111	N54 K59 K60 M61 K87	N54-E57 PolarHBondContact O-N 3.22Å; N54-E57 VanDerWaalsContact O-N 3.12Å; E57-K59 VanDerWaalsContact C-N 3.33Å; E57-K59 PolarHBondContact O-N 2.66Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-M61 HydrophobicContact CB-CE 4.25Å; E57-M61 HydrophobicContact CG-CE 3.8Å; E57-M61 WeakPolarHBondContact O-CG 3.29Å; E57-M61 PolarHBondContact O-N 3.03Å; E57-K87 IonicContact OE1-NZ 3.31Å; E57-K87 PolarHBondContact OE1-NZ 3.08Å
58	I	95.9	Very high	94	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-47.6	174.9	-64.6	170.1	0	0	0	110.3	N54 L55 K60 M61 K62 H84 W88 Y98	N54-I58 HydrophobicContact CB-CD1 4.38Å; N54-I58 WeakPolarHBondContact O-CG1 3.26Å; N54-I58 PolarHBondContact O-N 2.97Å; L55-I58 PolarHBondContact O-N 2.88Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.48Å; I58-M61 PolarHBondContact O-N 3.3Å; I58-K62 HydrophobicContact CG2-CD 4.29Å; I58-K62 HydrophobicContact CG2-CG 4.43Å; I58-K62 WeakPolarHBondContact O-CB 3.49Å; I58-K62 WeakPolarHBondContact O-CG 3.45Å; I58-K62 PolarHBondContact O-N 3.13Å; I58-H84 HydrophobicContact CG1-CB 4.17Å; I58-W88 HydrophobicContact CD1-CH2 3.83Å; I58-W88 HydrophobicContact CD1-CZ3 4.21Å; I58-W88 HydrophobicContact CG1-CH2 3.51Å; I58-W88 HydrophobicContact CG1-CZ2 4.31Å; I58-W88 HydrophobicContact CG1-CZ3 4.15Å; I58-Y98 HydrophobicContact CD1-CD2 4.16Å; I58-Y98 HydrophobicContact CD1-CE2 4.17Å
59	K	94.4	Very high	93.8	Very high	72 Å²	72	69.8 Å²	69.8	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-40.6	179.2	-171.7	178.9	-178.1	-178.4	0	112	L55 E57 R63 N246	L55-K59 VanDerWaalsContact O-CB 3.29Å; L55-K59 WeakPolarHBondContact O-CB 3.46Å; L55-K59 PolarHBondContact O-N 2.9Å; E57-K59 VanDerWaalsContact C-N 3.33Å; E57-K59 PolarHBondContact O-N 2.66Å; K59-R63 VanDerWaalsContact O-CG 3.3Å; K59-R63 WeakPolarHBondContact O-CG 3.35Å; K59-R63 PolarHBondContact O-N 3.08Å; K59-R63 VanDerWaalsContact O-N 3.09Å; K59-N246 HydrophobicContact CB-CB 4.16Å; K59-N246 HydrophobicContact CG-CB 4.24Å
60	K	95.8	Very high	93.8	Very high	130 Å²	130	64.7 Å²	64.7	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-52.9	176.5	179.4	178.2	171.2	179.7	0	110.8	S56 E57 I58 K62 R63 E64	S56-K60 PolarHBondContact O-N 2.88Å; E57-K60 PolarHBondContact O-N 3.45Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.48Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.04Å; K60-R63 WeakPolarHBondContact O-CB 3.15Å; K60-R63 PolarHBondContact O-N 3.27Å; K60-R63 VanDerWaalsContact O-N 3.14Å; K60-E64 WeakPolarHBondContact CE-OE1 3.35Å; K60-E64 WeakPolarHBondContact CG-OE1 3.22Å; K60-E64 IonicContact NZ-OE1 3.15Å; K60-E64 WeakPolarHBondContact O-CG 3.42Å; K60-E64 PolarHBondContact O-N 3.24Å
61	M	96.6	Very high	93.8	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-41.4	-179.9	-69.8	-174	-83.3	0	0	112.4	E57 I58 E64 S65 P83 H84 K87 W88	E57-M61 HydrophobicContact CB-CE 4.25Å; E57-M61 HydrophobicContact CG-CE 3.8Å; E57-M61 WeakPolarHBondContact O-CG 3.29Å; E57-M61 PolarHBondContact O-N 3.03Å; I58-M61 PolarHBondContact O-N 3.3Å; M61-E64 PolarHBondContact O-N 2.55Å; M61-S65 WeakPolarHBondContact O-CB 3.21Å; M61-S65 PolarHBondContact O-N 2.96Å; M61-S65 PolarHBondContact O-OG 3.16Å; M61-P83 HydrophobicContact CB-CB 4.26Å; M61-P83 HydrophobicContact CB-CG 4.05Å; M61-H84 HydrophobicContact CE-CB 3.3Å; M61-H84 HydrophobicContact SD-CB 3.98Å; M61-K87 HydrophobicContact SD-CB 4.33Å; M61-K87 HydrophobicContact SD-CD 3.47Å; M61-K87 WeakPolarHBondContact SD-CD 3.32Å; M61-W88 HydrophobicContact CE-CH2 4.44Å; M61-W88 HydrophobicContact CE-CZ2 3.73Å
62	K	95.1	Very high	94	Very high	25 Å²	25	61.7 Å²	61.7	11%	0.109	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-45.2	175	-76.9	-168.1	169.5	-164.3	0	112	I58 K60 E64 S65 H66 P83	I58-K62 HydrophobicContact CG2-CD 4.29Å; I58-K62 HydrophobicContact CG2-CG 4.43Å; I58-K62 WeakPolarHBondContact O-CB 3.49Å; I58-K62 WeakPolarHBondContact O-CG 3.45Å; I58-K62 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.04Å; K62-E64 VanDerWaalsContact C-N 3.34Å; K62-E64 PolarHBondContact O-N 3.09Å; K62-S65 WeakPolarHBondContact CA-OG 3.32Å; K62-S65 PolarHBondContact O-N 2.83Å; K62-S65 PolarHBondContact O-OG 3.01Å; K62-H66 PolarHBondContact O-CD2 3.22Å; K62-H66 PolarHBondContact O-N 2.99Å; K62-P83 HydrophobicContact CG-CG 4.19Å
63	R	93.9	Very high	93.8	Very high	161 Å²	161	59 Å²	59	61%	0.608	30%	0.301	S	S	*	.	H	α-helix	trans	-59	-45	176.5	-77.9	172.2	170.5	-173.3	-8.6	112.3	K59 K60 H66	K59-R63 VanDerWaalsContact O-CG 3.3Å; K59-R63 WeakPolarHBondContact O-CG 3.35Å; K59-R63 PolarHBondContact O-N 3.08Å; K59-R63 VanDerWaalsContact O-N 3.09Å; K60-R63 WeakPolarHBondContact O-CB 3.15Å; K60-R63 PolarHBondContact O-N 3.27Å; K60-R63 VanDerWaalsContact O-N 3.14Å; R63-H66 PolarHBondContact O-N 2.82Å
64	E	95.4	Very high	93.5	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-47.6	177.4	-70.6	166.1	175.3	0	0	110.9	K60 M61 K62 H66 L67	K60-E64 WeakPolarHBondContact CE-OE1 3.35Å; K60-E64 WeakPolarHBondContact CG-OE1 3.22Å; K60-E64 IonicContact NZ-OE1 3.15Å; K60-E64 WeakPolarHBondContact O-CG 3.42Å; K60-E64 PolarHBondContact O-N 3.24Å; M61-E64 PolarHBondContact O-N 2.55Å; K62-E64 VanDerWaalsContact C-N 3.34Å; K62-E64 PolarHBondContact O-N 3.09Å; E64-H66 VanDerWaalsContact C-N 3.26Å; E64-H66 PolarHBondContact O-N 3.25Å; E64-L67 WeakPolarHBondContact O-CB 3.2Å; E64-L67 PolarHBondContact O-N 3.2Å; E64-L67 VanDerWaalsContact O-N 3.17Å
65	S	93.6	Very high	93.5	Very high	17 Å²	17	61.1 Å²	61.1	12%	0.119	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-35.2	178.8	70.3	0	0	0	0	112.6	M61 K62 L67 S68 R80	M61-S65 WeakPolarHBondContact O-CB 3.21Å; M61-S65 PolarHBondContact O-N 2.96Å; M61-S65 PolarHBondContact O-OG 3.16Å; K62-S65 WeakPolarHBondContact CA-OG 3.32Å; K62-S65 PolarHBondContact O-N 2.83Å; K62-S65 PolarHBondContact O-OG 3.01Å; S65-L67 PolarHBondContact O-N 3Å; S65-S68 PolarHBondContact O-N 2.85Å; S65-S68 PolarHBondContact O-OG 3.15Å; S65-R80 PolarHBondContact O-NH1 2.97Å; S65-R80 PolarHBondContact OG-O 3.01Å; S65-R80 VanDerWaalsContact OG-O 3.06Å
66	H	90.8	Very high	93.4	Very high	59 Å²	59	63.7 Å²	63.7	27%	0.273	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.6	-178.4	-72.3	-175.6	0	0	0	113.7	K62 R63 E64 R80	K62-H66 PolarHBondContact O-CD2 3.22Å; K62-H66 PolarHBondContact O-N 2.99Å; R63-H66 PolarHBondContact O-N 2.82Å; E64-H66 VanDerWaalsContact C-N 3.26Å; E64-H66 PolarHBondContact O-N 3.25Å; H66-R80 PolarHBondContact O-NH1 2.97Å; H66-R80 PolarHBondContact O-NH2 2.77Å
67	L	91	Very high	93.5	Very high	148 Å²	148	61.4 Å²	61.4	78%	0.775	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.7	177.9	-61.1	174.9	0	0	0	113.1	E64 S65	E64-L67 WeakPolarHBondContact O-CB 3.2Å; E64-L67 PolarHBondContact O-N 3.2Å; E64-L67 VanDerWaalsContact O-N 3.17Å; S65-L67 PolarHBondContact O-N 3Å
68	S	91.3	Very high	93.5	Very high	52 Å²	52	60.1 Å²	60.1	36%	0.364	31%	0.306	S	S	.	.			trans	-73.1	150.8	177.7	65.3	0	0	0	0	111.3	S65 R80	S65-S68 PolarHBondContact O-N 2.85Å; S65-S68 PolarHBondContact O-OG 3.15Å; S68-R80 PolarHBondContact O-NH1 2.77Å; S68-R80 PolarHBondContact OG-NH1 3.12Å
69	I	94.4	Very high	93.4	Very high	103 Å²	103	61.2 Å²	61.2	53%	0.528	31%	0.314	S	S	.	.			trans	-111.9	127.9	163.9	-59.5	174.7	0	0	0	105	K495 T497	I69-K495 HydrophobicContact CD1-CD 4.12Å; I69-K495 HydrophobicContact CD1-CG 4.31Å; I69-K495 HydrophobicContact CG2-CB 4.36Å; I69-T497 HydrophobicContact CB-CG2 4.28Å; I69-T497 HydrophobicContact CG1-CG2 3.94Å; I69-T497 HydrophobicContact CG2-CG2 4.31Å
70	L	95.2	Very high	93.5	Very high	36 Å²	36	58 Å²	58	19%	0.188	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-83.6	157.7	179.5	-58.8	-178.5	0	0	0	109.8	I77 R80 H496	L70-I77 HydrophobicContact CD1-CG2 4.16Å; L70-R80 HydrophobicContact CD1-CB 4.24Å; L70-H496 HydrophobicContact CB-CB 4.48Å; L70-H496 WeakPolarHBondContact CB-O 3.46Å; L70-H496 PolarHBondContact N-O 2.96Å
71	D	92.5	Very high	93.5	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	27%	0.274	S	S	.	.			trans	-70	126.1	165.2	-173.5	-35	0	0	0	108.5	S73 S74	D71-S73 PolarHBondContact O-N 3.26Å; D71-S73 VanDerWaalsContact O-N 3.12Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.27Å; D71-S73 PolarHBondContact OD1-N 3.05Å; D71-S73 PolarHBondContact OD1-OG 3.15Å; D71-S73 PolarHBondContact OD2-OG 2.77Å; D71-S74 WeakPolarHBondContact O-CB 3.15Å; D71-S74 PolarHBondContact O-N 3.02Å
72	P	90.9	Very high	93.5	Very high	39 Å²	39	51.4 Å²	51.4	25%	0.253	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.4	176.3	-22.7	31.2	0	0	0	114.5	S74 L343 L490 Y494 H496	P72-S74 VanDerWaalsContact C-N 3.29Å; P72-L343 HydrophobicContact CB-CD1 4.17Å; P72-L343 HydrophobicContact CB-CD2 4.43Å; P72-L343 VanDerWaalsContact O-CD1 3.27Å; P72-L343 WeakPolarHBondContact O-CD1 3.5Å; P72-L490 HydrophobicContact CB-CD1 4.14Å; P72-Y494 HydrophobicContact CB-CE1 4.38Å; P72-Y494 HydrophobicContact CG-CD1 4.36Å; P72-Y494 HydrophobicContact CG-CE1 4.32Å; P72-H496 HydrophobicContact CB-CB 4.29Å; P72-H496 HydrophobicContact CG-CB 4Å
73	S	86.9	Confident	93.6	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.4	176.1	71.2	0	0	0	0	113.8	D71	D71-S73 PolarHBondContact O-N 3.26Å; D71-S73 VanDerWaalsContact O-N 3.12Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.27Å; D71-S73 PolarHBondContact OD1-N 3.05Å; D71-S73 PolarHBondContact OD1-OG 3.15Å; D71-S73 PolarHBondContact OD2-OG 2.77Å
74	S	89.9	Confident	93.7	Very high	39 Å²	39	43.7 Å²	43.7	27%	0.273	24%	0.244	S	C	.	.			trans	-97.7	110.3	178.5	172.5	0	0	0	0	111	D71 P72 D76	D71-S74 WeakPolarHBondContact O-CB 3.15Å; D71-S74 PolarHBondContact O-N 3.02Å; P72-S74 VanDerWaalsContact C-N 3.29Å; S74-D76 VanDerWaalsContact C-N 3.32Å; S74-D76 PolarHBondContact O-N 3.19Å
75	N	95	Very high	93.8	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	22%	0.222	C	C	.	.			trans	-86.3	2	178.6	-50.1	-78.1	0	0	0	113.9	I77 L340 L386 Y387 D433	N75-I77 PolarHBondContact O-N 3.42Å; N75-L340 WeakPolarHBondContact OD1-CD2 3.29Å; N75-L386 HydrophobicContact CB-CB 4.43Å; N75-L386 HydrophobicContact CB-CD1 3.95Å; N75-L386 HydrophobicContact CB-CD2 3.67Å; N75-L386 HydrophobicContact CB-CG 4.23Å; N75-Y387 WeakPolarHBondContact CA-OH 3.45Å; N75-Y387 HydrophobicContact CB-CE2 4.09Å; N75-Y387 WeakPolarHBondContact OD1-CE2 3.45Å; N75-Y387 PolarHBondContact OD1-OH 2.89Å; N75-D433 WeakPolarHBondContact CB-O 3.49Å; N75-D433 PolarHBondContact ND2-O 3.15Å
76	D	93.1	Very high	93.9	Very high	59 Å²	59	42.4 Å²	42.4	32%	0.316	24%	0.235	S	C	.	.			trans	-78.5	87.5	175.6	-173.5	20.6	0	0	0	111.8	S74 F78 P79 D433	S74-D76 VanDerWaalsContact C-N 3.32Å; S74-D76 PolarHBondContact O-N 3.19Å; D76-F78 PolarHBondContact OD1-N 2.82Å; D76-P79 VanDerWaalsContact OD1-CD 3.27Å; D76-P79 WeakPolarHBondContact OD1-CD 3.38Å; D76-D433 HydrophobicContact CB-CB 4.42Å
77	I	96	Very high	94.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	24%	0.238	C	C	.	.			trans	-92.2	-7.5	179.8	67.8	170.2	0	0	0	113	L70 N75 R80 I81 Y387 L419 P498 I504	L70-I77 HydrophobicContact CD1-CG2 4.16Å; N75-I77 PolarHBondContact O-N 3.42Å; I77-R80 PolarHBondContact O-N 3.29Å; I77-R80 VanDerWaalsContact O-N 3.13Å; I77-I81 HydrophobicContact CB-CG1 4.37Å; I77-I81 HydrophobicContact CD1-CG1 4.31Å; I77-I81 HydrophobicContact CG1-CG1 4.38Å; I77-I81 WeakPolarHBondContact O-CG1 3.41Å; I77-I81 PolarHBondContact O-N 3.21Å; I77-Y387 HydrophobicContact CD1-CD1 3.85Å; I77-Y387 HydrophobicContact CD1-CE1 4.18Å; I77-Y387 HydrophobicContact CG2-CD1 4.34Å; I77-Y387 HydrophobicContact CG2-CE1 3.58Å; I77-L419 HydrophobicContact CD1-CD1 4.48Å; I77-L419 HydrophobicContact CD1-CD2 3.93Å; I77-L419 HydrophobicContact CG1-CD1 4.35Å; I77-L419 HydrophobicContact CG1-CD2 4.04Å; I77-P498 HydrophobicContact CB-CB 4.48Å; I77-P498 HydrophobicContact CB-CG 4.35Å; I77-P498 HydrophobicContact CD1-CB 4.44Å; I77-P498 HydrophobicContact CG2-CB 4.33Å; I77-P498 HydrophobicContact CG2-CG 3.72Å; I77-I504 HydrophobicContact CD1-CD1 4.17Å; I77-I504 HydrophobicContact CD1-CG2 3.99Å
78	F	95.5	Very high	94.6	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-46.9	-176.4	168.7	-113.8	0	0	0	113.3	D76 R80 I81 L82 Q86 M89 L419 K420	D76-F78 PolarHBondContact OD1-N 2.82Å; F78-R80 PolarHBondContact O-N 3.17Å; F78-I81 PolarHBondContact O-N 3.38Å; F78-L82 HydrophobicContact CD2-CB 3.98Å; F78-L82 HydrophobicContact CD2-CD1 4.2Å; F78-L82 HydrophobicContact CE2-CB 3.72Å; F78-L82 HydrophobicContact CE2-CD1 4.01Å; F78-L82 HydrophobicContact CE2-CG 4.45Å; F78-L82 PolarHBondContact O-N 3.34Å; F78-Q86 HydrophobicContact CD1-CB 4.34Å; F78-Q86 HydrophobicContact CE1-CB 3.7Å; F78-Q86 HydrophobicContact CE1-CG 4.14Å; F78-Q86 HydrophobicContact CZ-CB 4.15Å; F78-M89 HydrophobicContact CE1-SD 4.41Å; F78-M89 HydrophobicContact CZ-SD 3.87Å; F78-L419 HydrophobicContact CB-CB 4.13Å; F78-L419 HydrophobicContact CD2-CB 3.93Å; F78-L419 HydrophobicContact CG-CB 4.48Å; F78-K420 HydrophobicContact CD1-CB 4.48Å; F78-K420 HydrophobicContact CD2-CB 4.01Å; F78-K420 HydrophobicContact CE1-CB 4.19Å; F78-K420 HydrophobicContact CE1-CD 4.26Å; F78-K420 HydrophobicContact CE2-CB 3.69Å; F78-K420 HydrophobicContact CG-CB 4.39Å; F78-K420 HydrophobicContact CZ-CB 3.79Å; F78-K420 HydrophobicContact CZ-CG 4.36Å
79	P	94.7	Very high	94.9	Very high	32 Å²	32	34.4 Å²	34.4	21%	0.208	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-37	175.5	-30.4	38.8	0	0	0	113.6	D76 P83 Q86	D76-P79 VanDerWaalsContact OD1-CD 3.27Å; D76-P79 WeakPolarHBondContact OD1-CD 3.38Å; P79-P83 WeakPolarHBondContact O-CA 3.34Å; P79-P83 VanDerWaalsContact O-CB 3.28Å; P79-P83 WeakPolarHBondContact O-CB 3.44Å; P79-Q86 VanDerWaalsContact CA-OE1 3.3Å
80	R	95.3	Very high	95	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-76.7	-44.3	-178.7	-178.7	177.7	178.2	77.9	-2.5	112	S65 H66 S68 L70 I77 F78 P83 P498	S65-R80 PolarHBondContact O-NH1 2.97Å; S65-R80 PolarHBondContact OG-O 3.01Å; S65-R80 VanDerWaalsContact OG-O 3.06Å; H66-R80 PolarHBondContact O-NH1 2.97Å; H66-R80 PolarHBondContact O-NH2 2.77Å; S68-R80 PolarHBondContact O-NH1 2.77Å; S68-R80 PolarHBondContact OG-NH1 3.12Å; L70-R80 HydrophobicContact CD1-CB 4.24Å; I77-R80 PolarHBondContact O-N 3.29Å; I77-R80 VanDerWaalsContact O-N 3.13Å; F78-R80 PolarHBondContact O-N 3.17Å; R80-P83 WeakPolarHBondContact O-CD 3.39Å; R80-P498 WeakPolarHBondContact CD-O 3.22Å; R80-P498 PolarHBondContact NE-O 2.94Å
81	I	96.3	Very high	95.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-80.6	-41.2	-172.7	-61.2	-63.5	0	0	0	111.9	I77 F78 P83 L419 P498 D500	I77-I81 HydrophobicContact CB-CG1 4.37Å; I77-I81 HydrophobicContact CD1-CG1 4.31Å; I77-I81 HydrophobicContact CG1-CG1 4.38Å; I77-I81 WeakPolarHBondContact O-CG1 3.41Å; I77-I81 PolarHBondContact O-N 3.21Å; F78-I81 PolarHBondContact O-N 3.38Å; I81-P83 WeakPolarHBondContact O-CD 3.44Å; I81-L419 HydrophobicContact CB-CD1 3.52Å; I81-L419 HydrophobicContact CG1-CD1 3.93Å; I81-L419 HydrophobicContact CG2-CD1 3.55Å; I81-P498 HydrophobicContact CD1-CB 4.07Å; I81-P498 WeakPolarHBondContact CD1-O 3.33Å; I81-D500 HydrophobicContact CD1-CB 4.32Å; I81-D500 HydrophobicContact CG2-CB 3.53Å
82	L	96.3	Very high	95.3	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	20%	0.199	C	C	.	.			trans	-124.4	57.9	-178.5	-59.3	176.1	0	0	0	111.4	F78 H84 Y85 Q86 P417	F78-L82 HydrophobicContact CD2-CB 3.98Å; F78-L82 HydrophobicContact CD2-CD1 4.2Å; F78-L82 HydrophobicContact CE2-CB 3.72Å; F78-L82 HydrophobicContact CE2-CD1 4.01Å; F78-L82 HydrophobicContact CE2-CG 4.45Å; F78-L82 PolarHBondContact O-N 3.34Å; L82-H84 VanDerWaalsContact C-N 3.26Å; L82-H84 PolarHBondContact O-N 2.73Å; L82-Y85 HydrophobicContact CB-CG 4.17Å; L82-Y85 HydrophobicContact CD1-CD2 4.13Å; L82-Y85 HydrophobicContact CD1-CE2 4.45Å; L82-Y85 HydrophobicContact CD1-CG 4.48Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 2.74Å; L82-Q86 PolarHBondContact O-N 3.01Å; L82-Q86 VanDerWaalsContact O-N 3.14Å; L82-P417 HydrophobicContact CD1-CB 4.17Å
83	P	96.9	Very high	95.5	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-38.5	-175.3	23.3	-35.7	0	0	0	112.6	M61 K62 P79 R80 I81 Y85 Q86 K87	M61-P83 HydrophobicContact CB-CB 4.26Å; M61-P83 HydrophobicContact CB-CG 4.05Å; K62-P83 HydrophobicContact CG-CG 4.19Å; P79-P83 WeakPolarHBondContact O-CA 3.34Å; P79-P83 VanDerWaalsContact O-CB 3.28Å; P79-P83 WeakPolarHBondContact O-CB 3.44Å; R80-P83 WeakPolarHBondContact O-CD 3.39Å; I81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-Y85 VanDerWaalsContact C-N 3.3Å; P83-Y85 PolarHBondContact O-N 3.44Å; P83-Q86 PolarHBondContact O-N 3.4Å; P83-K87 WeakPolarHBondContact O-CB 3.34Å; P83-K87 PolarHBondContact O-N 3.46Å
84	H	97.2	Very high	95.8	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.046	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-36.5	174.2	60.4	-58.6	0	0	0	113.5	I58 M61 L82 W88	I58-H84 HydrophobicContact CG1-CB 4.17Å; M61-H84 HydrophobicContact CE-CB 3.3Å; M61-H84 HydrophobicContact SD-CB 3.98Å; L82-H84 VanDerWaalsContact C-N 3.26Å; L82-H84 PolarHBondContact O-N 2.73Å; H84-W88 HydrophobicContact CB-CD2 4.44Å; H84-W88 HydrophobicContact CB-CE3 4.16Å; H84-W88 HydrophobicContact CB-CH2 4.21Å; H84-W88 HydrophobicContact CB-CZ2 4.41Å; H84-W88 HydrophobicContact CB-CZ3 4.07Å; H84-W88 AromaticContact CD2-CZ3 3.75Å; H84-W88 VanDerWaalsContact O-CB 3.26Å; H84-W88 WeakPolarHBondContact O-CB 3.36Å; H84-W88 PolarHBondContact O-N 3.34Å
85	Y	97.7	Very high	96.1	Very high	8 Å²	8	36.7 Å²	36.7	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-73.2	-45.5	177.5	-77.3	30.7	0	0	0	109.9	L82 P83 K87 W88 M89 F96 Y98 C107 V415 P417	L82-Y85 HydrophobicContact CB-CG 4.17Å; L82-Y85 HydrophobicContact CD1-CD2 4.13Å; L82-Y85 HydrophobicContact CD1-CE2 4.45Å; L82-Y85 HydrophobicContact CD1-CG 4.48Å; L82-Y85 WeakPolarHBondContact O-CB 3.29Å; L82-Y85 PolarHBondContact O-N 2.74Å; P83-Y85 VanDerWaalsContact C-N 3.3Å; P83-Y85 PolarHBondContact O-N 3.44Å; Y85-K87 VanDerWaalsContact C-N 3.32Å; Y85-K87 PolarHBondContact O-N 2.98Å; Y85-W88 PolarHBondContact O-N 3.35Å; Y85-M89 VanDerWaalsContact O-CB 3.26Å; Y85-M89 WeakPolarHBondContact O-CB 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.11Å; Y85-M89 PolarHBondContact O-N 2.92Å; Y85-F96 HydrophobicContact CD1-CZ 4.11Å; Y85-F96 HydrophobicContact CD2-CZ 4.47Å; Y85-F96 HydrophobicContact CE1-CZ 4.48Å; Y85-F96 HydrophobicContact CG-CZ 4.12Å; Y85-Y98 HydrophobicContact CE1-CE1 4.17Å; Y85-Y98 PolarHBondContact OH-OH 2.93Å; Y85-C107 VanDerWaalsContact CD2-SG 3.59Å; Y85-C107 HydrophobicContact CE2-CB 4.42Å; Y85-C107 VanDerWaalsContact CE2-SG 3.51Å; Y85-V415 HydrophobicContact CE2-CG1 4.33Å; Y85-V415 VanDerWaalsContact OH-CG1 3.29Å; Y85-V415 WeakPolarHBondContact OH-CG1 3.46Å; Y85-P417 HydrophobicContact CD2-CB 3.6Å; Y85-P417 HydrophobicContact CD2-CG 4.1Å; Y85-P417 HydrophobicContact CE2-CB 3.78Å; Y85-P417 HydrophobicContact CE2-CG 4.3Å
86	Q	96.1	Very high	96.3	Very high	86 Å²	86	36.4 Å²	36.4	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-54.4	-49.9	175.4	-173.5	-167.9	20.8	0	0	111.3	F78 P79 L82 P83 S90	F78-Q86 HydrophobicContact CD1-CB 4.34Å; F78-Q86 HydrophobicContact CE1-CB 3.7Å; F78-Q86 HydrophobicContact CE1-CG 4.14Å; F78-Q86 HydrophobicContact CZ-CB 4.15Å; P79-Q86 VanDerWaalsContact CA-OE1 3.3Å; L82-Q86 PolarHBondContact O-N 3.01Å; L82-Q86 VanDerWaalsContact O-N 3.14Å; P83-Q86 PolarHBondContact O-N 3.4Å; Q86-S90 PolarHBondContact O-N 3.23Å
87	K	97.5	Very high	96.5	Very high	75 Å²	75	33.9 Å²	33.9	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-51.4	177.7	-177.5	-172.5	177.3	-171.7	0	111.3	E57 M61 P83 Y85 S90 Q91	E57-K87 IonicContact OE1-NZ 3.31Å; E57-K87 PolarHBondContact OE1-NZ 3.08Å; M61-K87 HydrophobicContact SD-CB 4.33Å; M61-K87 HydrophobicContact SD-CD 3.47Å; M61-K87 WeakPolarHBondContact SD-CD 3.32Å; P83-K87 WeakPolarHBondContact O-CB 3.34Å; P83-K87 PolarHBondContact O-N 3.46Å; Y85-K87 VanDerWaalsContact C-N 3.32Å; Y85-K87 PolarHBondContact O-N 2.98Å; K87-S90 PolarHBondContact O-N 3.4Å; K87-S90 PolarHBondContact O-OG 2.88Å; K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 3.01Å
88	W	98.2	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.7	-31.9	-174.1	-65	-24.9	0	0	0	113.2	P46 N54 I58 M61 H84 Y85 S90 Q91 Y92 F96 Y98	P46-W88 HydrophobicContact CB-CZ2 4.08Å; P46-W88 HydrophobicContact CG-CD2 3.9Å; P46-W88 HydrophobicContact CG-CE3 4.32Å; P46-W88 HydrophobicContact CG-CG 4.4Å; P46-W88 HydrophobicContact CG-CH2 4.06Å; P46-W88 HydrophobicContact CG-CZ2 3.69Å; P46-W88 HydrophobicContact CG-CZ3 4.37Å; N54-W88 HydrophobicContact CB-CH2 3.65Å; N54-W88 HydrophobicContact CB-CZ2 4.01Å; I58-W88 HydrophobicContact CD1-CH2 3.83Å; I58-W88 HydrophobicContact CD1-CZ3 4.21Å; I58-W88 HydrophobicContact CG1-CH2 3.51Å; I58-W88 HydrophobicContact CG1-CZ2 4.31Å; I58-W88 HydrophobicContact CG1-CZ3 4.15Å; M61-W88 HydrophobicContact CE-CH2 4.44Å; M61-W88 HydrophobicContact CE-CZ2 3.73Å; H84-W88 HydrophobicContact CB-CD2 4.44Å; H84-W88 HydrophobicContact CB-CE3 4.16Å; H84-W88 HydrophobicContact CB-CH2 4.21Å; H84-W88 HydrophobicContact CB-CZ2 4.41Å; H84-W88 HydrophobicContact CB-CZ3 4.07Å; H84-W88 AromaticContact CD2-CZ3 3.75Å; H84-W88 VanDerWaalsContact O-CB 3.26Å; H84-W88 WeakPolarHBondContact O-CB 3.36Å; H84-W88 PolarHBondContact O-N 3.34Å; Y85-W88 PolarHBondContact O-N 3.35Å; W88-S90 VanDerWaalsContact C-N 3.31Å; W88-S90 PolarHBondContact O-N 3.41Å; W88-Q91 PolarHBondContact O-N 3.19Å; W88-Y92 HydrophobicContact CB-CD2 3.89Å; W88-Y92 HydrophobicContact CB-CE2 4.24Å; W88-Y92 AromaticContact CD1-CE2 3.73Å; W88-Y92 HydrophobicContact CG-CD2 4.28Å; W88-Y92 HydrophobicContact CG-CE2 4.15Å; W88-Y92 WeakPolarHBondContact O-CB 3.27Å; W88-Y92 VanDerWaalsContact O-CD2 3.31Å; W88-Y92 WeakPolarHBondContact O-CD2 3.41Å; W88-Y92 PolarHBondContact O-N 3.07Å; W88-F96 HydrophobicContact CB-CD1 4.29Å; W88-F96 HydrophobicContact CB-CD2 3.99Å; W88-F96 HydrophobicContact CB-CE1 4.18Å; W88-F96 HydrophobicContact CB-CE2 3.89Å; W88-F96 HydrophobicContact CB-CG 4.21Å; W88-F96 HydrophobicContact CB-CZ 3.98Å; W88-F96 HydrophobicContact CD2-CE2 4.19Å; W88-F96 HydrophobicContact CE3-CD2 4.21Å; W88-F96 AromaticContact CE3-CE2 3.42Å; W88-F96 HydrophobicContact CE3-CE2 3.42Å; W88-F96 VanDerWaalsContact CE3-CE2 3.42Å; W88-F96 AromaticContact CE3-CZ 3.97Å; W88-F96 HydrophobicContact CE3-CZ 3.97Å; W88-F96 HydrophobicContact CG-CE2 4.44Å; W88-F96 HydrophobicContact CZ3-CE2 4.21Å; W88-Y98 HydrophobicContact CE3-CG 4.41Å; W88-Y98 HydrophobicContact CH2-CD2 4.33Å; W88-Y98 HydrophobicContact CH2-CG 4.47Å; W88-Y98 HydrophobicContact CZ3-CD1 4.43Å; W88-Y98 AromaticContact CZ3-CD2 3.83Å; W88-Y98 HydrophobicContact CZ3-CD2 3.83Å; W88-Y98 AromaticContact CZ3-CG 3.74Å; W88-Y98 HydrophobicContact CZ3-CG 3.74Å
89	M	97	Very high	96.6	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-43	170.5	-73.7	173.3	162.6	0	0	111.4	F78 Y85 Q91 G93 F96 P417 K420	F78-M89 HydrophobicContact CE1-SD 4.41Å; F78-M89 HydrophobicContact CZ-SD 3.87Å; Y85-M89 VanDerWaalsContact O-CB 3.26Å; Y85-M89 WeakPolarHBondContact O-CB 3.32Å; Y85-M89 WeakPolarHBondContact O-CG 3.11Å; Y85-M89 PolarHBondContact O-N 2.92Å; M89-Q91 VanDerWaalsContact C-N 3.28Å; M89-Q91 PolarHBondContact O-N 3.45Å; M89-G93 WeakPolarHBondContact CA-O 3.33Å; M89-G93 CarbonylContact O-C 3.33Å; M89-G93 VanDerWaalsContact O-CA 3.25Å; M89-G93 WeakPolarHBondContact O-CA 3.3Å; M89-G93 PolarHBondContact O-N 2.99Å; M89-F96 HydrophobicContact CE-CE1 4.31Å; M89-F96 HydrophobicContact CG-CD1 4.11Å; M89-F96 HydrophobicContact CG-CE1 3.69Å; M89-P417 HydrophobicContact CE-CG 3.75Å; M89-K420 HydrophobicContact CE-CB 4.44Å; M89-K420 HydrophobicContact CE-CG 3.91Å; M89-K420 HydrophobicContact SD-CD 4.23Å; M89-K420 HydrophobicContact SD-CG 3.87Å
90	S	96.1	Very high	96.6	Very high	99 Å²	99	33.3 Å²	33.3	69%	0.692	18%	0.177	S	C	*	.	H	α-helix	trans	-65.8	-29.1	176.8	75.5	0	0	0	0	113.7	Q86 K87 W88	Q86-S90 PolarHBondContact O-N 3.23Å; K87-S90 PolarHBondContact O-N 3.4Å; K87-S90 PolarHBondContact O-OG 2.88Å; W88-S90 VanDerWaalsContact C-N 3.31Å; W88-S90 PolarHBondContact O-N 3.41Å
91	Q	97.4	Very high	96.4	Very high	104 Å²	104	33.4 Å²	33.4	49%	0.486	18%	0.179	S	C	.	.	H	α-helix	trans	-93.2	-34.8	-174.5	-71.6	-176.4	-17.6	0	0	113.9	K87 W88 M89	K87-Q91 WeakPolarHBondContact O-CG 3.49Å; K87-Q91 PolarHBondContact O-N 3.01Å; W88-Q91 PolarHBondContact O-N 3.19Å; M89-Q91 VanDerWaalsContact C-N 3.28Å; M89-Q91 PolarHBondContact O-N 3.45Å
92	Y	97.2	Very high	96.2	Very high	75 Å²	75	35.7 Å²	35.7	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-121.5	-4.4	-169.5	-53.7	-68.2	0	0	0	113.1	P46 W88	P46-Y92 HydrophobicContact CB-CE2 4.37Å; W88-Y92 HydrophobicContact CB-CD2 3.89Å; W88-Y92 HydrophobicContact CB-CE2 4.24Å; W88-Y92 AromaticContact CD1-CE2 3.73Å; W88-Y92 HydrophobicContact CG-CD2 4.28Å; W88-Y92 HydrophobicContact CG-CE2 4.15Å; W88-Y92 WeakPolarHBondContact O-CB 3.27Å; W88-Y92 VanDerWaalsContact O-CD2 3.31Å; W88-Y92 WeakPolarHBondContact O-CD2 3.41Å; W88-Y92 PolarHBondContact O-N 3.07Å
93	G	95.3	Very high	96	Very high	36 Å²	36	37.7 Å²	37.7	37%	0.371	20%	0.202	S	C	.	.			trans	93.9	171.8	-173.9	0	0	0	0	0	113.3	M89 T95	M89-G93 WeakPolarHBondContact CA-O 3.33Å; M89-G93 CarbonylContact O-C 3.33Å; M89-G93 VanDerWaalsContact O-CA 3.25Å; M89-G93 WeakPolarHBondContact O-CA 3.3Å; M89-G93 PolarHBondContact O-N 2.99Å; G93-T95 PolarHBondContact O-N 2.63Å; G93-T95 VanDerWaalsContact O-N 3.16Å
94	E	93.8	Very high	96	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	20%	0.2	S	C	.	.	S	Bend	trans	-58.7	-28	-176.3	-73.1	-70.4	159.8	0	0	113.6	S109 K420	E94-S109 PolarHBondContact OE2-OG 3.43Å; E94-K420 WeakPolarHBondContact OE1-CE 3.48Å; E94-K420 IonicContact OE1-NZ 3.78Å; E94-K420 PolarHBondContact OE1-NZ 2.98Å; E94-K420 WeakPolarHBondContact OE2-CE 3.32Å; E94-K420 IonicContact OE2-NZ 3.01Å
95	T	96.7	Very high	96	Very high	40 Å²	40	38.1 Å²	38.1	25%	0.245	20%	0.202	C	C	.	.	S	Bend	trans	-111.7	118.4	174	-61	0	0	0	0	110.6	I43 G93 I106 C107 I108 L406	I43-T95 HydrophobicContact CD1-CG2 3.85Å; I43-T95 HydrophobicContact CG1-CG2 3.95Å; I43-T95 HydrophobicContact CG2-CG2 4.38Å; G93-T95 PolarHBondContact O-N 2.63Å; G93-T95 VanDerWaalsContact O-N 3.16Å; T95-I106 HydrophobicContact CG2-CG2 3.86Å; T95-C107 WeakPolarHBondContact CA-O 3.22Å; T95-I108 HydrophobicContact CG2-CG1 4.27Å; T95-L406 HydrophobicContact CG2-CD1 4.28Å
96	F	97.8	Very high	96	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.1	-178.8	66.8	-90.4	0	0	0	112.6	S44 Y85 W88 M89 Y98 I106 C107	S44-F96 CarbonylContact O-C 3.51Å; S44-F96 WeakPolarHBondContact O-CA 3.33Å; S44-F96 WeakPolarHBondContact O-CB 3.29Å; Y85-F96 HydrophobicContact CD1-CZ 4.11Å; Y85-F96 HydrophobicContact CD2-CZ 4.47Å; Y85-F96 HydrophobicContact CE1-CZ 4.48Å; Y85-F96 HydrophobicContact CG-CZ 4.12Å; W88-F96 HydrophobicContact CB-CD1 4.29Å; W88-F96 HydrophobicContact CB-CD2 3.99Å; W88-F96 HydrophobicContact CB-CE1 4.18Å; W88-F96 HydrophobicContact CB-CE2 3.89Å; W88-F96 HydrophobicContact CB-CG 4.21Å; W88-F96 HydrophobicContact CB-CZ 3.98Å; W88-F96 HydrophobicContact CD2-CE2 4.19Å; W88-F96 HydrophobicContact CE3-CD2 4.21Å; W88-F96 AromaticContact CE3-CE2 3.42Å; W88-F96 HydrophobicContact CE3-CE2 3.42Å; W88-F96 VanDerWaalsContact CE3-CE2 3.42Å; W88-F96 AromaticContact CE3-CZ 3.97Å; W88-F96 HydrophobicContact CE3-CZ 3.97Å; W88-F96 HydrophobicContact CG-CE2 4.44Å; W88-F96 HydrophobicContact CZ3-CE2 4.21Å; M89-F96 HydrophobicContact CE-CE1 4.31Å; M89-F96 HydrophobicContact CG-CD1 4.11Å; M89-F96 HydrophobicContact CG-CE1 3.69Å; F96-Y98 HydrophobicContact CD2-CD1 4.18Å; F96-Y98 AromaticContact CE2-CD1 3.59Å; F96-Y98 HydrophobicContact CE2-CD1 3.59Å; F96-Y98 HydrophobicContact CE2-CE1 4.29Å; F96-Y98 HydrophobicContact CE2-CG 4.21Å; F96-I106 WeakPolarHBondContact O-CA 3.22Å; F96-C107 HydrophobicContact CD1-CB 3.89Å; F96-C107 HydrophobicContact CD2-CB 4.39Å; F96-C107 HydrophobicContact CE1-CB 3.4Å; F96-C107 HydrophobicContact CE2-CB 3.94Å; F96-C107 HydrophobicContact CG-CB 4.36Å; F96-C107 HydrophobicContact CZ-CB 3.43Å; F96-C107 VanDerWaalsContact CZ-CB 3.43Å; F96-C107 PolarHBondContact O-N 3.24Å
97	L	98.1	Very high	96.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.3	175.4	171.8	67.7	0	0	0	110.6	T35 L38 I43 S44 G45 P46 W99 P104 R105 I106	T35-L97 HydrophobicContact CG2-CD2 4.23Å; L38-L97 HydrophobicContact CD1-CB 4.47Å; L38-L97 HydrophobicContact CD1-CD1 3.78Å; L38-L97 HydrophobicContact CD1-CD2 3.82Å; L38-L97 HydrophobicContact CD1-CG 4.23Å; I43-L97 HydrophobicContact CG2-CB 4.05Å; S44-L97 PolarHBondContact O-N 2.87Å; G45-L97 WeakPolarHBondContact CA-O 3.33Å; P46-L97 WeakPolarHBondContact CD-O 3.3Å; L97-W99 HydrophobicContact CD2-CZ2 4.4Å; L97-P104 HydrophobicContact CD1-CB 4.11Å; L97-R105 CarbonylContact C-O 3.46Å; L97-R105 WeakPolarHBondContact CA-O 3.34Å; L97-I106 HydrophobicContact CD1-CG1 4.22Å
98	Y	97.7	Very high	96	Very high	13 Å²	13	30.1 Å²	30.1	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	172.3	167.7	74.9	-78.4	0	0	0	110.6	I58 Y85 W88 F96 R105	I58-Y98 HydrophobicContact CD1-CD2 4.16Å; I58-Y98 HydrophobicContact CD1-CE2 4.17Å; Y85-Y98 HydrophobicContact CE1-CE1 4.17Å; Y85-Y98 PolarHBondContact OH-OH 2.93Å; W88-Y98 HydrophobicContact CE3-CG 4.41Å; W88-Y98 HydrophobicContact CH2-CD2 4.33Å; W88-Y98 HydrophobicContact CH2-CG 4.47Å; W88-Y98 HydrophobicContact CZ3-CD1 4.43Å; W88-Y98 AromaticContact CZ3-CD2 3.83Å; W88-Y98 HydrophobicContact CZ3-CD2 3.83Å; W88-Y98 AromaticContact CZ3-CG 3.74Å; W88-Y98 HydrophobicContact CZ3-CG 3.74Å; F96-Y98 HydrophobicContact CD2-CD1 4.18Å; F96-Y98 AromaticContact CE2-CD1 3.59Å; F96-Y98 HydrophobicContact CE2-CD1 3.59Å; F96-Y98 HydrophobicContact CE2-CE1 4.29Å; F96-Y98 HydrophobicContact CE2-CG 4.21Å; Y98-R105 HydrophobicContact CD1-CB 3.8Å; Y98-R105 WeakPolarHBondContact CD1-O 3.27Å; Y98-R105 HydrophobicContact CD2-CB 4.34Å; Y98-R105 HydrophobicContact CE1-CB 3.35Å; Y98-R105 HydrophobicContact CE1-CG 4.43Å; Y98-R105 HydrophobicContact CE2-CB 3.95Å; Y98-R105 HydrophobicContact CE2-CG 4.3Å; Y98-R105 HydrophobicContact CG-CB 4.28Å; Y98-R105 VanDerWaalsContact CZ-CB 3.43Å; Y98-R105 PolarHBondContact N-O 3.48Å; Y98-R105 PolarHBondContact O-N 3.45Å; Y98-R105 VanDerWaalsContact O-O 3.12Å; Y98-R105 WeakPolarHBondContact OH-CD 3.02Å
99	W	96.4	Very high	95.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.7	-172	-66	85.2	0	0	0	112	P31 L34 Y48 N54 L97 T102 P104	P31-W99 HydrophobicContact CB-CH2 3.75Å; P31-W99 HydrophobicContact CB-CZ2 3.86Å; P31-W99 HydrophobicContact CB-CZ3 4.06Å; P31-W99 HydrophobicContact CG-CE3 4.49Å; P31-W99 HydrophobicContact CG-CH2 4.06Å; P31-W99 HydrophobicContact CG-CZ3 3.95Å; L34-W99 HydrophobicContact CB-CH2 4.19Å; L34-W99 HydrophobicContact CB-CZ2 4.34Å; L34-W99 HydrophobicContact CD2-CH2 3.58Å; L34-W99 HydrophobicContact CD2-CZ2 3.95Å; L34-W99 HydrophobicContact CG-CH2 4.48Å; Y48-W99 HydrophobicContact CD2-CB 3.67Å; Y48-W99 AromaticContact CD2-CD1 3.87Å; Y48-W99 AromaticContact CD2-CD2 3.59Å; Y48-W99 HydrophobicContact CD2-CD2 3.59Å; Y48-W99 AromaticContact CD2-CE3 4Å; Y48-W99 HydrophobicContact CD2-CE3 4Å; Y48-W99 AromaticContact CD2-CG 3.43Å; Y48-W99 HydrophobicContact CD2-CG 3.43Å; Y48-W99 VanDerWaalsContact CD2-CG 3.43Å; Y48-W99 HydrophobicContact CE2-CB 4.19Å; Y48-W99 HydrophobicContact CE2-CD2 4.12Å; Y48-W99 HydrophobicContact CE2-CE3 4.05Å; Y48-W99 HydrophobicContact CE2-CG 4.19Å; Y48-W99 HydrophobicContact CG-CD2 4.43Å; Y48-W99 HydrophobicContact CG-CG 4.32Å; N54-W99 PolarHBondContact N-O 2.97Å; N54-W99 PolarHBondContact OD1-N 3.45Å; L97-W99 HydrophobicContact CD2-CZ2 4.4Å; W99-T102 VanDerWaalsContact CZ3-O 3.3Å; W99-T102 WeakPolarHBondContact CZ3-O 3.39Å; W99-P104 HydrophobicContact CD2-CB 4.32Å; W99-P104 HydrophobicContact CE3-CB 3.97Å; W99-P104 HydrophobicContact CH2-CB 3.61Å; W99-P104 HydrophobicContact CH2-CG 4.08Å; W99-P104 HydrophobicContact CZ2-CB 4.02Å; W99-P104 HydrophobicContact CZ3-CB 3.61Å; W99-P104 HydrophobicContact CZ3-CG 3.92Å
100	N	92.9	Very high	95.9	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	94.8	170.1	-173.3	-13.5	0	0	0	108.8	L55 T102 E103 R105 R131	L55-N100 WeakPolarHBondContact CD1-OD1 2.94Å; L55-N100 VanDerWaalsContact CD2-OD1 3.3Å; L55-N100 WeakPolarHBondContact CD2-OD1 3.45Å; N100-T102 PolarHBondContact O-N 3.29Å; N100-E103 PolarHBondContact N-O 2.97Å; N100-E103 WeakPolarHBondContact O-CB 3.43Å; N100-E103 PolarHBondContact O-N 3.02Å; N100-R105 HydrophobicContact CB-CG 4.48Å; N100-R131 PolarHBondContact OD1-NH2 3.33Å; N100-R131 VanDerWaalsContact OD1-NH2 3.08Å
101	G	91.6	Very high	95.9	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-120.9	-164.9	0	0	0	0	0	109.5	Y48 F51 Y52 G53	Y48-G101 WeakPolarHBondContact CE2-O 3.47Å; F51-G101 WeakPolarHBondContact O-CA 3.29Å; Y52-G101 PolarHBondContact O-N 2.82Å; G53-G101 WeakPolarHBondContact CA-O 3.27Å; G53-G101 PolarHBondContact N-O 2.72Å
102	T	91.6	Very high	95.8	Very high	49 Å²	49	27.7 Å²	27.7	30%	0.301	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2	175.1	55.1	0	0	0	0	113.8	I26 L27 W99 N100 P104	I26-T102 HydrophobicContact CG2-CG2 4.07Å; L27-T102 HydrophobicContact CD2-CG2 3.61Å; W99-T102 VanDerWaalsContact CZ3-O 3.3Å; W99-T102 WeakPolarHBondContact CZ3-O 3.39Å; N100-T102 PolarHBondContact O-N 3.29Å; T102-P104 WeakPolarHBondContact O-CD 3.09Å
103	E	92.9	Very high	95.8	Very high	49 Å²	49	25.6 Å²	25.6	23%	0.229	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.1	-178.7	-62	-179.4	169.1	0	0	110.7	N100 R105	N100-E103 PolarHBondContact N-O 2.97Å; N100-E103 WeakPolarHBondContact O-CB 3.43Å; N100-E103 PolarHBondContact O-N 3.02Å; E103-R105 IonicContact OE2-NH2 3.62Å; E103-R105 PolarHBondContact OE2-NH2 3.33Å
104	P	96.4	Very high	95.9	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.7	177.5	28	-30.2	0	0	0	111.6	L34 L97 W99 T102 T412 T413	L34-P104 HydrophobicContact CD2-CB 3.25Å; L34-P104 HydrophobicContact CD2-CG 3.36Å; L97-P104 HydrophobicContact CD1-CB 4.11Å; W99-P104 HydrophobicContact CD2-CB 4.32Å; W99-P104 HydrophobicContact CE3-CB 3.97Å; W99-P104 HydrophobicContact CH2-CB 3.61Å; W99-P104 HydrophobicContact CH2-CG 4.08Å; W99-P104 HydrophobicContact CZ2-CB 4.02Å; W99-P104 HydrophobicContact CZ3-CB 3.61Å; W99-P104 HydrophobicContact CZ3-CG 3.92Å; T102-P104 WeakPolarHBondContact O-CD 3.09Å; P104-T412 HydrophobicContact CB-CG2 4.36Å; P104-T412 HydrophobicContact CG-CG2 4.49Å; P104-T413 PolarHBondContact O-N 3.24Å
105	R	97.5	Very high	96	Very high	26 Å²	26	23.2 Å²	23.2	10%	0.098	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.6	179	-59.6	-167.9	173.3	-111	-8	110.9	L97 Y98 N100 E103 T413 V415	L97-R105 CarbonylContact C-O 3.46Å; L97-R105 WeakPolarHBondContact CA-O 3.34Å; Y98-R105 HydrophobicContact CD1-CB 3.8Å; Y98-R105 WeakPolarHBondContact CD1-O 3.27Å; Y98-R105 HydrophobicContact CD2-CB 4.34Å; Y98-R105 HydrophobicContact CE1-CB 3.35Å; Y98-R105 HydrophobicContact CE1-CG 4.43Å; Y98-R105 HydrophobicContact CE2-CB 3.95Å; Y98-R105 HydrophobicContact CE2-CG 4.3Å; Y98-R105 HydrophobicContact CG-CB 4.28Å; Y98-R105 VanDerWaalsContact CZ-CB 3.43Å; Y98-R105 PolarHBondContact N-O 3.48Å; Y98-R105 PolarHBondContact O-N 3.45Å; Y98-R105 VanDerWaalsContact O-O 3.12Å; Y98-R105 WeakPolarHBondContact OH-CD 3.02Å; N100-R105 HydrophobicContact CB-CG 4.48Å; E103-R105 IonicContact OE2-NH2 3.62Å; E103-R105 PolarHBondContact OE2-NH2 3.33Å; R105-T413 CarbonylContact C-O 3.54Å; R105-T413 WeakPolarHBondContact CA-O 3.42Å; R105-T413 HydrophobicContact CG-CG2 4.5Å; R105-V415 HydrophobicContact CB-CG2 4.35Å
106	I	97.9	Very high	95.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.7	171.7	-60.6	173.4	0	0	0	107.6	L38 I43 T95 F96 L97 I108 I408 T412 T413 V414 V415	L38-I106 HydrophobicContact CD1-CD1 3.78Å; L38-I106 HydrophobicContact CD1-CG1 4.13Å; L38-I106 HydrophobicContact CD2-CD1 3.7Å; L38-I106 HydrophobicContact CG-CD1 4.42Å; I43-I106 HydrophobicContact CD1-CD1 4.49Å; I43-I106 HydrophobicContact CD1-CG2 4.44Å; T95-I106 HydrophobicContact CG2-CG2 3.86Å; F96-I106 WeakPolarHBondContact O-CA 3.22Å; L97-I106 HydrophobicContact CD1-CG1 4.22Å; I106-I108 HydrophobicContact CG2-CD1 4.31Å; I106-I108 HydrophobicContact CG2-CG1 3.92Å; I106-I408 HydrophobicContact CD1-CD1 3.91Å; I106-T412 HydrophobicContact CD1-CG2 3.67Å; I106-T412 HydrophobicContact CG1-CG2 3.76Å; I106-T413 PolarHBondContact N-O 2.94Å; I106-V414 CarbonylContact O-C 3.58Å; I106-V414 WeakPolarHBondContact O-CA 3.5Å; I106-V415 PolarHBondContact O-N 3.1Å
107	C	98.1	Very high	95.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.5	170.7	-172	0	0	0	0	109.7	Y85 T95 F96 V415	Y85-C107 VanDerWaalsContact CD2-SG 3.59Å; Y85-C107 HydrophobicContact CE2-CB 4.42Å; Y85-C107 VanDerWaalsContact CE2-SG 3.51Å; T95-C107 WeakPolarHBondContact CA-O 3.22Å; F96-C107 HydrophobicContact CD1-CB 3.89Å; F96-C107 HydrophobicContact CD2-CB 4.39Å; F96-C107 HydrophobicContact CE1-CB 3.4Å; F96-C107 HydrophobicContact CE2-CB 3.94Å; F96-C107 HydrophobicContact CG-CB 4.36Å; F96-C107 HydrophobicContact CZ-CB 3.43Å; F96-C107 VanDerWaalsContact CZ-CB 3.43Å; F96-C107 PolarHBondContact O-N 3.24Å; C107-V415 WeakPolarHBondContact CA-O 3.49Å
108	I	96.2	Very high	95.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.129	C	C	.	.			trans	-135.8	117.3	175.4	-59.4	-176.6	0	0	0	108.8	T95 I106 D110 L113 L403 L406 V414 V415 I416 P417	T95-I108 HydrophobicContact CG2-CG1 4.27Å; I106-I108 HydrophobicContact CG2-CD1 4.31Å; I106-I108 HydrophobicContact CG2-CG1 3.92Å; I108-D110 HydrophobicContact CG2-CB 4.06Å; I108-L113 HydrophobicContact CD1-CD1 4.44Å; I108-L113 HydrophobicContact CG2-CB 3.81Å; I108-L113 HydrophobicContact CG2-CD1 3.8Å; I108-L113 HydrophobicContact CG2-CG 4.4Å; I108-L403 HydrophobicContact CD1-CD2 3.73Å; I108-L406 HydrophobicContact CD1-CD1 4.07Å; I108-V414 HydrophobicContact CB-CG1 4.3Å; I108-V414 HydrophobicContact CD1-CG1 3.6Å; I108-V414 HydrophobicContact CG1-CG1 3.96Å; I108-V415 PolarHBondContact N-O 2.88Å; I108-I416 WeakPolarHBondContact O-CA 3.43Å; I108-P417 VanDerWaalsContact O-CD 3.27Å; I108-P417 WeakPolarHBondContact O-CD 3.34Å
109	S	95.6	Very high	95.7	Very high	11 Å²	11	26.1 Å²	26.1	8%	0.077	14%	0.141	C	C	.	.			trans	-97.4	-2.6	175.7	49.3	0	0	0	0	113.7	E94 P111 M421	E94-S109 PolarHBondContact OE2-OG 3.43Å; S109-P111 WeakPolarHBondContact O-CD 3.32Å; S109-M421 VanDerWaalsContact O-CG 3.27Å; S109-M421 WeakPolarHBondContact O-CG 3.16Å
110	D	96.1	Very high	95.4	Very high	72 Å²	72	28 Å²	28	39%	0.385	15%	0.152	S	C	.	.			trans	-69.9	122.5	179	-177.1	-75.5	0	0	0	111.8	I108 E112 L113 A114	I108-D110 HydrophobicContact CG2-CB 4.06Å; D110-E112 PolarHBondContact O-N 3.29Å; D110-E112 WeakPolarHBondContact OD1-CA 3.32Å; D110-E112 PolarHBondContact OD1-N 3.19Å; D110-L113 HydrophobicContact CB-CB 4.09Å; D110-L113 HydrophobicContact CB-CD1 4Å; D110-L113 HydrophobicContact CB-CG 3.91Å; D110-L113 PolarHBondContact O-N 3.08Å; D110-L113 PolarHBondContact OD1-N 2.92Å; D110-A114 VanDerWaalsContact O-CB 3.3Å; D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 3.47Å
111	P	96.6	Very high	95.2	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.071	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-32.6	-178.2	-24.2	33.6	0	0	0	115.6	S109 K115 M421 L427 H450	S109-P111 WeakPolarHBondContact O-CD 3.32Å; P111-K115 WeakPolarHBondContact O-CB 3.28Å; P111-K115 PolarHBondContact O-N 3.39Å; P111-M421 HydrophobicContact CB-CE 3.88Å; P111-M421 HydrophobicContact CG-CE 3.95Å; P111-L427 HydrophobicContact CG-CD1 3.5Å; P111-L427 VanDerWaalsContact CG-CD1 3.5Å; P111-L427 HydrophobicContact CG-CD2 3.82Å; P111-L427 HydrophobicContact CG-CG 4.33Å; P111-H450 HydrophobicContact CB-CB 4.42Å; P111-H450 VanDerWaalsContact CB-ND1 3.31Å; P111-H450 WeakPolarHBondContact CB-ND1 3.23Å; P111-H450 HydrophobicContact CG-CB 4.44Å
112	E	96.1	Very high	95.1	Very high	74 Å²	74	41.5 Å²	41.5	35%	0.346	21%	0.212	S	C	.	.	H	α-helix	trans	-79	-37.5	-177.9	-165.8	58.9	-157	0	0	110.8	D110 K115 T116 H450	D110-E112 PolarHBondContact O-N 3.29Å; D110-E112 WeakPolarHBondContact OD1-CA 3.32Å; D110-E112 PolarHBondContact OD1-N 3.19Å; E112-K115 PolarHBondContact O-N 3.5Å; E112-K115 IonicContact OE1-NZ 2.85Å; E112-K115 PolarHBondContact OE1-NZ 3.34Å; E112-K115 IonicContact OE2-NZ 3.74Å; E112-K115 PolarHBondContact OE2-NZ 3.13Å; E112-T116 VanDerWaalsContact O-CB 3.31Å; E112-T116 WeakPolarHBondContact O-CB 3.26Å; E112-T116 PolarHBondContact O-N 3.02Å; E112-T116 PolarHBondContact O-OG1 3.03Å; E112-H450 IonicContact OE2-CE1 3.75Å; E112-H450 PolarHBondContact OE2-CE1 3.35Å; E112-H450 IonicContact OE2-NE2 3.53Å; E112-H450 PolarHBondContact OE2-NE2 2.86Å
113	L	96.6	Very high	94.9	Very high	31 Å²	31	41 Å²	41	16%	0.162	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-42.8	169.2	-59.3	-172.3	0	0	0	111	I108 D110 K115 T116 M117 L403 G404 L406	I108-L113 HydrophobicContact CD1-CD1 4.44Å; I108-L113 HydrophobicContact CG2-CB 3.81Å; I108-L113 HydrophobicContact CG2-CD1 3.8Å; I108-L113 HydrophobicContact CG2-CG 4.4Å; D110-L113 HydrophobicContact CB-CB 4.09Å; D110-L113 HydrophobicContact CB-CD1 4Å; D110-L113 HydrophobicContact CB-CG 3.91Å; D110-L113 PolarHBondContact O-N 3.08Å; D110-L113 PolarHBondContact OD1-N 2.92Å; L113-K115 PolarHBondContact O-N 3.2Å; L113-T116 PolarHBondContact O-N 3.29Å; L113-M117 WeakPolarHBondContact O-CB 3.46Å; L113-M117 PolarHBondContact O-N 3.26Å; L113-L403 HydrophobicContact CB-CG 4.4Å; L113-L403 HydrophobicContact CD2-CG 4.41Å; L113-G404 VanDerWaalsContact CD2-CA 3.48Å; L113-L406 HydrophobicContact CD1-CD1 4.44Å
114	A	96.9	Very high	95	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-49.2	175.4	0	0	0	0	0	111.4	D110 M117 L118 I416 M421 L455	D110-A114 VanDerWaalsContact O-CB 3.3Å; D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 3.47Å; A114-M117 PolarHBondContact O-N 2.65Å; A114-L118 WeakPolarHBondContact O-CB 3.34Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.83Å; A114-I416 HydrophobicContact CB-CD1 3.62Å; A114-I416 HydrophobicContact CB-CG1 3.93Å; A114-I416 HydrophobicContact CB-CG2 4.07Å; A114-M421 HydrophobicContact CB-CE 4.24Å; A114-M421 HydrophobicContact CB-SD 4.26Å; A114-L455 HydrophobicContact CB-CD1 4.14Å
115	K	96.1	Very high	94.9	Very high	67 Å²	67	42.7 Å²	42.7	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-46.2	175.5	167.6	174	150	-131.4	0	112.2	P111 E112 L113 M117 L118 S119 N452	P111-K115 WeakPolarHBondContact O-CB 3.28Å; P111-K115 PolarHBondContact O-N 3.39Å; E112-K115 PolarHBondContact O-N 3.5Å; E112-K115 IonicContact OE1-NZ 2.85Å; E112-K115 PolarHBondContact OE1-NZ 3.34Å; E112-K115 IonicContact OE2-NZ 3.74Å; E112-K115 PolarHBondContact OE2-NZ 3.13Å; L113-K115 PolarHBondContact O-N 3.2Å; K115-M117 VanDerWaalsContact C-N 3.32Å; K115-M117 PolarHBondContact O-N 3.49Å; K115-L118 PolarHBondContact O-N 2.7Å; K115-S119 WeakPolarHBondContact O-CB 3.12Å; K115-S119 PolarHBondContact O-N 2.96Å; K115-S119 PolarHBondContact O-OG 2.89Å; K115-N452 HydrophobicContact CB-CB 4.27Å; K115-N452 HydrophobicContact CD-CB 4.24Å; K115-N452 WeakPolarHBondContact CD-ND2 3.46Å
116	T	95.8	Very high	94.8	Very high	66 Å²	66	43 Å²	43	41%	0.405	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-45.8	-179.3	-63.3	0	0	0	0	110.8	E112 L113 N120 L403	E112-T116 VanDerWaalsContact O-CB 3.31Å; E112-T116 WeakPolarHBondContact O-CB 3.26Å; E112-T116 PolarHBondContact O-N 3.02Å; E112-T116 PolarHBondContact O-OG1 3.03Å; L113-T116 PolarHBondContact O-N 3.29Å; T116-N120 PolarHBondContact O-N 2.95Å; T116-L403 HydrophobicContact CG2-CD1 3.88Å
117	M	96	Very high	94.5	Very high	4 Å²	4	46 Å²	46	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-50.6	176.2	-176.6	-176.3	60.8	0	0	111.8	L113 A114 K115 S119 N120 F125 R395 L403 V414 I416	L113-M117 WeakPolarHBondContact O-CB 3.46Å; L113-M117 PolarHBondContact O-N 3.26Å; A114-M117 PolarHBondContact O-N 2.65Å; K115-M117 VanDerWaalsContact C-N 3.32Å; K115-M117 PolarHBondContact O-N 3.49Å; M117-S119 VanDerWaalsContact C-N 3.31Å; M117-S119 PolarHBondContact O-N 3.26Å; M117-N120 WeakPolarHBondContact O-CB 3.38Å; M117-N120 PolarHBondContact O-N 2.62Å; M117-F125 HydrophobicContact CB-CD2 4.37Å; M117-F125 HydrophobicContact CB-CE2 4.33Å; M117-F125 HydrophobicContact CG-CB 4.12Å; M117-F125 HydrophobicContact CG-CD1 3.67Å; M117-F125 HydrophobicContact CG-CD2 3.7Å; M117-F125 HydrophobicContact CG-CE1 3.92Å; M117-F125 HydrophobicContact CG-CE2 3.94Å; M117-F125 HydrophobicContact CG-CG 3.56Å; M117-F125 HydrophobicContact CG-CZ 4.04Å; M117-F125 HydrophobicContact SD-CD1 4.04Å; M117-F125 HydrophobicContact SD-CE1 4.2Å; M117-F125 HydrophobicContact SD-CG 4.46Å; M117-R395 HydrophobicContact CE-CB 4.43Å; M117-R395 HydrophobicContact CE-CG 4.25Å; M117-R395 HydrophobicContact CG-CB 4.4Å; M117-R395 HydrophobicContact CG-CG 4.44Å; M117-R395 HydrophobicContact SD-CB 3.8Å; M117-R395 HydrophobicContact SD-CG 4.15Å; M117-L403 HydrophobicContact CB-CD1 4.03Å; M117-L403 HydrophobicContact CB-CD2 4.35Å; M117-V414 HydrophobicContact CE-CG1 4.12Å; M117-V414 HydrophobicContact SD-CB 3.54Å; M117-V414 VanDerWaalsContact SD-CB 3.54Å; M117-V414 HydrophobicContact SD-CG1 3.57Å; M117-V414 VanDerWaalsContact SD-CG1 3.57Å; M117-V414 HydrophobicContact SD-CG2 4.37Å; M117-I416 HydrophobicContact CE-CD1 3.17Å; M117-I416 HydrophobicContact CE-CG1 3.52Å
118	L	96.4	Very high	94	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-26.5	-174.3	-68	175.2	0	0	0	113.2	A114 K115 L393 I416 L455 V459 P461	A114-L118 WeakPolarHBondContact O-CB 3.34Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 2.83Å; K115-L118 PolarHBondContact O-N 2.7Å; L118-L393 HydrophobicContact CD1-CD1 3.91Å; L118-L393 HydrophobicContact CD2-CD1 4.29Å; L118-I416 HydrophobicContact CD1-CD1 3.72Å; L118-I416 HydrophobicContact CD2-CD1 4.15Å; L118-I416 HydrophobicContact CG-CD1 3.84Å; L118-L455 HydrophobicContact CD1-CD1 4.02Å; L118-L455 HydrophobicContact CD1-CD2 4.35Å; L118-V459 HydrophobicContact CB-CG2 3.88Å; L118-V459 HydrophobicContact CD1-CG2 4.04Å; L118-P461 WeakPolarHBondContact O-CD 3.11Å
119	S	95	Very high	93.5	Very high	43 Å²	43	53.6 Å²	53.6	30%	0.301	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2	-179.3	-53.4	0	0	0	0	113.5	K115 M117 K121	K115-S119 WeakPolarHBondContact O-CB 3.12Å; K115-S119 PolarHBondContact O-N 2.96Å; K115-S119 PolarHBondContact O-OG 2.89Å; M117-S119 VanDerWaalsContact C-N 3.31Å; M117-S119 PolarHBondContact O-N 3.26Å; S119-K121 PolarHBondContact O-N 2.8Å
120	N	92.1	Very high	93.2	Very high	41 Å²	41	54.9 Å²	54.9	22%	0.219	29%	0.288	C	S	.	.			trans	-62.3	110.4	179.6	-175.9	-83.2	0	0	0	111.3	T116 M117 L122 G123 F124 F125	T116-N120 PolarHBondContact O-N 2.95Å; M117-N120 WeakPolarHBondContact O-CB 3.38Å; M117-N120 PolarHBondContact O-N 2.62Å; N120-L122 PolarHBondContact OD1-N 3.27Å; N120-G123 PolarHBondContact OD1-N 3.07Å; N120-G123 VanDerWaalsContact OD1-N 3.14Å; N120-F124 PolarHBondContact OD1-N 3.3Å; N120-F125 HydrophobicContact CB-CD2 3.96Å
121	K	87.7	Confident	92.9	Very high	188 Å²	188	52.6 Å²	52.6	82%	0.817	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	-179.8	-62.4	-175.4	-178	178	0	113.8	S119 G123 P461	S119-K121 PolarHBondContact O-N 2.8Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.39Å; K121-P461 HydrophobicContact CG-CG 4.27Å
122	L	89.2	Confident	92.6	Very high	124 Å²	124	53.6 Å²	53.6	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.5	-177.8	-61.9	175.8	0	0	0	113	N120 F124	N120-L122 PolarHBondContact OD1-N 3.27Å; L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 HydrophobicContact CB-CD1 4.31Å; L122-F124 HydrophobicContact CB-CD2 3.68Å; L122-F124 HydrophobicContact CB-CE1 4.18Å; L122-F124 HydrophobicContact CB-CE2 3.58Å; L122-F124 HydrophobicContact CB-CG 4.07Å; L122-F124 HydrophobicContact CB-CZ 3.83Å; L122-F124 HydrophobicContact CD1-CD2 3.96Å; L122-F124 HydrophobicContact CD1-CE2 3.39Å; L122-F124 HydrophobicContact CD1-CZ 4.07Å; L122-F124 HydrophobicContact CG-CD2 4.48Å; L122-F124 HydrophobicContact CG-CE2 4.09Å; L122-F124 HydrophobicContact CG-CZ 4.49Å
123	G	88.2	Confident	92.4	Very high	40 Å²	40	51.3 Å²	51.3	41%	0.412	27%	0.27	S	S	.	.	S	Bend	trans	74.5	21.7	179.6	0	0	0	0	0	113.5	N120 K121 F125	N120-G123 PolarHBondContact OD1-N 3.07Å; N120-G123 VanDerWaalsContact OD1-N 3.14Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.39Å; G123-F125 VanDerWaalsContact C-N 3.3Å
124	F	93.7	Very high	92.3	Very high	72 Å²	72	49.9 Å²	49.9	32%	0.316	26%	0.263	S	S	.	.			trans	-79.9	-14.7	179	-61.2	-28.5	0	0	0	113.6	N120 L122 A397 S398 V399 I401	N120-F124 PolarHBondContact OD1-N 3.3Å; L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 HydrophobicContact CB-CD1 4.31Å; L122-F124 HydrophobicContact CB-CD2 3.68Å; L122-F124 HydrophobicContact CB-CE1 4.18Å; L122-F124 HydrophobicContact CB-CE2 3.58Å; L122-F124 HydrophobicContact CB-CG 4.07Å; L122-F124 HydrophobicContact CB-CZ 3.83Å; L122-F124 HydrophobicContact CD1-CD2 3.96Å; L122-F124 HydrophobicContact CD1-CE2 3.39Å; L122-F124 HydrophobicContact CD1-CZ 4.07Å; L122-F124 HydrophobicContact CG-CD2 4.48Å; L122-F124 HydrophobicContact CG-CE2 4.09Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; F124-A397 WeakPolarHBondContact O-CA 3.3Å; F124-S398 WeakPolarHBondContact CA-OG 3.21Å; F124-S398 PolarHBondContact O-N 2.86Å; F124-S398 PolarHBondContact O-OG 3.34Å; F124-V399 HydrophobicContact CB-CG2 4.08Å; F124-V399 HydrophobicContact CD1-CG2 4.05Å; F124-V399 HydrophobicContact CD2-CG2 4.37Å; F124-V399 HydrophobicContact CG-CG2 3.92Å; F124-I401 HydrophobicContact CB-CD1 3.63Å; F124-I401 HydrophobicContact CD2-CD1 3.79Å; F124-I401 HydrophobicContact CG-CD1 4.18Å
125	F	94.7	Very high	92.2	Very high	18 Å²	18	51.4 Å²	51.4	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	94.7	172.1	-73.8	-68.7	0	0	0	109.7	M117 N120 G123 R395 E396 A397 I401 L403 V414	M117-F125 HydrophobicContact CB-CD2 4.37Å; M117-F125 HydrophobicContact CB-CE2 4.33Å; M117-F125 HydrophobicContact CG-CB 4.12Å; M117-F125 HydrophobicContact CG-CD1 3.67Å; M117-F125 HydrophobicContact CG-CD2 3.7Å; M117-F125 HydrophobicContact CG-CE1 3.92Å; M117-F125 HydrophobicContact CG-CE2 3.94Å; M117-F125 HydrophobicContact CG-CG 3.56Å; M117-F125 HydrophobicContact CG-CZ 4.04Å; M117-F125 HydrophobicContact SD-CD1 4.04Å; M117-F125 HydrophobicContact SD-CE1 4.2Å; M117-F125 HydrophobicContact SD-CG 4.46Å; N120-F125 HydrophobicContact CB-CD2 3.96Å; G123-F125 VanDerWaalsContact C-N 3.3Å; F125-R395 HydrophobicContact CB-CB 3.88Å; F125-R395 HydrophobicContact CB-CG 4.19Å; F125-R395 HydrophobicContact CD1-CB 4.18Å; F125-R395 HydrophobicContact CG-CB 4.44Å; F125-E396 WeakPolarHBondContact CA-O 3.48Å; F125-A397 HydrophobicContact CD1-CB 4.48Å; F125-A397 HydrophobicContact CE1-CB 4.19Å; F125-I401 HydrophobicContact CD2-CD1 4.44Å; F125-I401 HydrophobicContact CE1-CG2 4.03Å; F125-I401 HydrophobicContact CE2-CD1 3.84Å; F125-I401 HydrophobicContact CE2-CG2 4.29Å; F125-I401 HydrophobicContact CZ-CD1 4.28Å; F125-I401 HydrophobicContact CZ-CG2 3.64Å; F125-L403 HydrophobicContact CZ-CB 4.43Å; F125-L403 HydrophobicContact CZ-CD1 4.42Å; F125-L403 HydrophobicContact CZ-CD2 4.37Å; F125-V414 HydrophobicContact CE1-CG2 4.43Å
126	V	94.8	Very high	92.1	Very high	32 Å²	32	50.9 Å²	50.9	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	168.1	179.7	-62.3	0	0	0	0	110.8	S128 E147 R395 E396	V126-S128 PolarHBondContact O-N 3.31Å; V126-E147 HydrophobicContact CB-CG 4.21Å; V126-E147 HydrophobicContact CG1-CG 4.37Å; V126-R395 CarbonylContact O-C 3.44Å; V126-R395 WeakPolarHBondContact O-CA 3.37Å; V126-R395 WeakPolarHBondContact O-CD 3.47Å; V126-E396 HydrophobicContact CG2-CB 4.21Å; V126-E396 WeakPolarHBondContact CG2-O 3.46Å; V126-E396 PolarHBondContact N-O 3.33Å; V126-E396 PolarHBondContact O-N 2.9Å
127	K	92.4	Very high	92.1	Very high	62 Å²	62	47.8 Å²	47.8	27%	0.27	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-59.6	135	169.7	-74.8	-78.4	-176.1	163.3	0	110.1	V144 E147	K127-V144 VanDerWaalsContact CE-O 3.26Å; K127-V144 WeakPolarHBondContact CE-O 3.47Å; K127-E147 VanDerWaalsContact CB-OE1 3.24Å; K127-E147 WeakPolarHBondContact CB-OE1 3.25Å; K127-E147 VanDerWaalsContact CG-OE1 3.22Å; K127-E147 WeakPolarHBondContact CG-OE1 3.3Å; K127-E147 PolarHBondContact N-OE1 3.13Å
128	S	87.3	Confident	92	Very high	23 Å²	23	48.1 Å²	48.1	16%	0.161	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59.9	149.1	170.5	61.1	0	0	0	0	110.2	V126 A130	V126-S128 PolarHBondContact O-N 3.31Å; S128-A130 PolarHBondContact O-N 3.08Å; S128-A130 VanDerWaalsContact O-N 3.12Å
129	K	86.6	Confident	91.9	Very high	138 Å²	138	47.8 Å²	47.8	60%	0.6	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-48.3	121.2	176.8	-68.6	176.5	-172	167.6	0	111.5
130	A	88.5	Confident	91.8	Very high	38 Å²	38	48.3 Å²	48.3	31%	0.314	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-79.6	146	-179.9	0	0	0	0	0	110.7	S128 A134 V135 F145	S128-A130 PolarHBondContact O-N 3.08Å; S128-A130 VanDerWaalsContact O-N 3.12Å; A130-A134 HydrophobicContact CB-CB 4.49Å; A130-V135 HydrophobicContact CB-CG2 3.72Å; A130-F145 HydrophobicContact CB-CD1 3.83Å; A130-F145 HydrophobicContact CB-CE1 3.39Å; A130-F145 HydrophobicContact CB-CE2 4.2Å; A130-F145 HydrophobicContact CB-CG 4.44Å; A130-F145 HydrophobicContact CB-CZ 3.61Å
131	R	90	Very high	91.9	Very high	24 Å²	24	49.7 Å²	49.7	9%	0.091	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.4	147.8	170.2	-65.7	-65.3	-177.2	123.5	-3.8	109.7	N100 E133 A134 V135 Y241 S244 Q247	N100-R131 PolarHBondContact OD1-NH2 3.33Å; N100-R131 VanDerWaalsContact OD1-NH2 3.08Å; R131-E133 PolarHBondContact O-N 3.31Å; R131-A134 HydrophobicContact CB-CB 4.4Å; R131-A134 VanDerWaalsContact O-CB 3.3Å; R131-A134 WeakPolarHBondContact O-CB 3.17Å; R131-A134 PolarHBondContact O-N 3.14Å; R131-V135 PolarHBondContact O-N 3.23Å; R131-Y241 HydrophobicContact CB-CD2 4.15Å; R131-Y241 HydrophobicContact CB-CE2 3.87Å; R131-Y241 HydrophobicContact CG-CE2 4.03Å; R131-S244 PolarHBondContact NH1-O 2.93Å; R131-S244 VanDerWaalsContact NH1-O 3.12Å; R131-Q247 VanDerWaalsContact CZ-O 3.26Å; R131-Q247 PolarHBondContact NH1-O 3.49Å; R131-Q247 PolarHBondContact NH2-O 3.12Å
132	P	90.8	Very high	92.2	Very high	33 Å²	33	40.8 Å²	40.8	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-52.6	-40.1	178	-27.3	35.4	0	0	0	113.1	A134 V135 K136 Q254	P132-A134 PolarHBondContact O-N 3.41Å; P132-V135 WeakPolarHBondContact O-CB 3.28Å; P132-V135 PolarHBondContact O-N 3.07Å; P132-K136 VanDerWaalsContact O-CG 3.28Å; P132-K136 WeakPolarHBondContact O-CG 3.26Å; P132-K136 PolarHBondContact O-N 3.42Å; P132-Q254 HydrophobicContact CB-CB 3.88Å; P132-Q254 HydrophobicContact CB-CG 4.28Å; P132-Q254 HydrophobicContact CG-CB 3.72Å; P132-Q254 HydrophobicContact CG-CG 4.01Å
133	E	92.5	Very high	92.4	Very high	25 Å²	25	35.5 Å²	35.5	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-37.2	178.3	-56.8	82.2	-177.4	0	0	112.1	R131 V135 K136 L137 C240 Y241 S244 V264	R131-E133 PolarHBondContact O-N 3.31Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-K136 PolarHBondContact O-N 3.24Å; E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 PolarHBondContact O-N 3.34Å; E133-C240 HydrophobicContact CG-CB 4.42Å; E133-Y241 HydrophobicContact CB-CD2 4.34Å; E133-Y241 HydrophobicContact CB-CG 4.39Å; E133-S244 WeakPolarHBondContact OE2-CB 3.35Å; E133-S244 PolarHBondContact OE2-OG 3.28Å; E133-V264 HydrophobicContact CG-CG2 4.21Å
134	A	93.5	Very high	92.7	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.8	0	0	0	0	0	111	A130 R131 P132 K136 L137 V138 F145 Y241	A130-A134 HydrophobicContact CB-CB 4.49Å; R131-A134 HydrophobicContact CB-CB 4.4Å; R131-A134 VanDerWaalsContact O-CB 3.3Å; R131-A134 WeakPolarHBondContact O-CB 3.17Å; R131-A134 PolarHBondContact O-N 3.14Å; P132-A134 PolarHBondContact O-N 3.41Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 2.7Å; A134-L137 WeakPolarHBondContact O-CB 3.42Å; A134-L137 PolarHBondContact O-N 2.73Å; A134-V138 PolarHBondContact O-N 3.23Å; A134-V138 VanDerWaalsContact O-N 3.16Å; A134-F145 HydrophobicContact CB-CZ 4.03Å; A134-Y241 HydrophobicContact CB-CD1 3.92Å; A134-Y241 HydrophobicContact CB-CD2 3.91Å; A134-Y241 HydrophobicContact CB-CE1 3.61Å; A134-Y241 HydrophobicContact CB-CE2 3.62Å; A134-Y241 HydrophobicContact CB-CG 4.08Å; A134-Y241 VanDerWaalsContact CB-CZ 3.46Å
135	V	94.1	Very high	92.7	Very high	33 Å²	33	34.6 Å²	34.6	20%	0.2	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-38.9	175	171.7	0	0	0	0	111	A130 R131 P132 E133 G139 S140 F145	A130-V135 HydrophobicContact CB-CG2 3.72Å; R131-V135 PolarHBondContact O-N 3.23Å; P132-V135 WeakPolarHBondContact O-CB 3.28Å; P132-V135 PolarHBondContact O-N 3.07Å; E133-V135 VanDerWaalsContact C-N 3.35Å; V135-G139 CarbonylContact O-C 3.53Å; V135-G139 WeakPolarHBondContact O-CA 3.47Å; V135-G139 PolarHBondContact O-N 2.81Å; V135-S140 VanDerWaalsContact CG1-CB 3.5Å; V135-F145 HydrophobicContact CG2-CD2 4.36Å; V135-F145 HydrophobicContact CG2-CE2 4.24Å
136	K	94.9	Very high	92.7	Very high	55 Å²	55	34.6 Å²	34.6	24%	0.239	18%	0.182	C	C	.	.	H	α-helix	trans	-68.2	-38.5	176.5	-62.2	-23.3	-161.6	145.1	0	111.9	P132 E133 A134 L237 V264 E268 M271 R320	P132-K136 VanDerWaalsContact O-CG 3.28Å; P132-K136 WeakPolarHBondContact O-CG 3.26Å; P132-K136 PolarHBondContact O-N 3.42Å; E133-K136 PolarHBondContact O-N 3.24Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 2.7Å; K136-L237 HydrophobicContact CB-CD2 4.18Å; K136-V264 HydrophobicContact CB-CG1 4.05Å; K136-V264 HydrophobicContact CG-CG1 3.61Å; K136-E268 WeakPolarHBondContact CD-OE1 3.38Å; K136-E268 WeakPolarHBondContact CD-OE2 3.47Å; K136-E268 WeakPolarHBondContact CE-OE2 3.25Å; K136-E268 IonicContact NZ-OE1 2.71Å; K136-E268 PolarHBondContact NZ-OE1 2.87Å; K136-E268 IonicContact NZ-OE2 2.71Å; K136-E268 PolarHBondContact NZ-OE2 3.28Å; K136-M271 WeakPolarHBondContact O-CE 3.25Å; K136-R320 PolarHBondContact O-NH1 3.37Å
137	L	95.6	Very high	92.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-51	179.8	179	62.6	0	0	0	113.2	E133 A134 Q234 L237 K238 Y241 F324	E133-L137 WeakPolarHBondContact O-CB 3.45Å; E133-L137 PolarHBondContact O-N 3.34Å; A134-L137 WeakPolarHBondContact O-CB 3.42Å; A134-L137 PolarHBondContact O-N 2.73Å; L137-Q234 HydrophobicContact CD1-CB 3.86Å; L137-Q234 HydrophobicContact CD1-CG 4.11Å; L137-Q234 WeakPolarHBondContact CD1-O 3.09Å; L137-Q234 PolarHBondContact O-NE2 3.24Å; L137-L237 HydrophobicContact CB-CB 4.35Å; L137-L237 HydrophobicContact CD1-CB 3.85Å; L137-K238 HydrophobicContact CD1-CB 4.4Å; L137-K238 HydrophobicContact CD2-CB 4.29Å; L137-Y241 HydrophobicContact CD2-CD1 4.19Å; L137-F324 HydrophobicContact CD1-CD2 4Å; L137-F324 HydrophobicContact CD1-CE2 4.24Å; L137-F324 HydrophobicContact CD2-CD2 4.23Å; L137-F324 HydrophobicContact CD2-CE1 4.37Å; L137-F324 HydrophobicContact CD2-CE2 3.88Å; L137-F324 HydrophobicContact CD2-CZ 3.95Å; L137-F324 HydrophobicContact CG-CD2 4.21Å; L137-F324 HydrophobicContact CG-CE2 4.35Å; L137-F324 HydrophobicContact CG-CG 4.49Å
138	V	94.1	Very high	92.5	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-112.9	-5.5	-172.3	-57.3	0	0	0	0	115	A134 V144 F145 H317 T321 F324	A134-V138 PolarHBondContact O-N 3.23Å; A134-V138 VanDerWaalsContact O-N 3.16Å; V138-V144 HydrophobicContact CG2-CB 4.24Å; V138-V144 HydrophobicContact CG2-CG1 4.24Å; V138-V144 HydrophobicContact CG2-CG2 4.46Å; V138-F145 HydrophobicContact CG2-CD2 3.83Å; V138-F145 HydrophobicContact CG2-CE2 3.19Å; V138-F145 HydrophobicContact CG2-CZ 3.87Å; V138-H317 VanDerWaalsContact O-O 3.05Å; V138-T321 PolarHBondContact O-N 3.45Å; V138-T321 PolarHBondContact O-OG1 3.4Å; V138-F324 HydrophobicContact CG1-CB 4.04Å; V138-F324 HydrophobicContact CG1-CD1 3.67Å; V138-F324 HydrophobicContact CG1-CE1 4.41Å; V138-F324 HydrophobicContact CG1-CG 3.98Å
139	G	93.4	Very high	92.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.			trans	89	131.2	178.5	0	0	0	0	0	114	V135 K141 G142	V135-G139 CarbonylContact O-C 3.53Å; V135-G139 WeakPolarHBondContact O-CA 3.47Å; V135-G139 PolarHBondContact O-N 2.81Å; G139-K141 VanDerWaalsContact C-N 3.29Å; G139-K141 PolarHBondContact O-N 3.16Å; G139-G142 PolarHBondContact O-N 2.7Å
140	S	93.3	Very high	93.1	Very high	54 Å²	54	35.2 Å²	35.2	38%	0.378	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.9	180	45.1	0	0	0	0	113.9	V135 H317	V135-S140 VanDerWaalsContact CG1-CB 3.5Å; S140-H317 PolarHBondContact OG-CE1 3.33Å; S140-H317 VanDerWaalsContact OG-CE1 3.3Å
141	K	94.2	Very high	93.4	Very high	71 Å²	71	34.8 Å²	34.8	31%	0.309	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.8	-178.7	-53.2	-176.8	176.5	-179.4	0	112.8	G139 I146 H154 E313 E314 H317	G139-K141 VanDerWaalsContact C-N 3.29Å; G139-K141 PolarHBondContact O-N 3.16Å; K141-I146 VanDerWaalsContact C-CG2 3.45Å; K141-I146 VanDerWaalsContact CA-CG2 3.48Å; K141-I146 HydrophobicContact CB-CG2 4.42Å; K141-H154 PolarHBondContact O-CE1 3.37Å; K141-H154 VanDerWaalsContact O-CE1 3.28Å; K141-E313 HydrophobicContact CD-CG 4.32Å; K141-E313 WeakPolarHBondContact CE-OE1 3.37Å; K141-E313 IonicContact NZ-OE1 2.81Å; K141-E313 PolarHBondContact NZ-OE1 3.46Å; K141-E313 IonicContact NZ-OE2 2.7Å; K141-E313 PolarHBondContact NZ-OE2 3.2Å; K141-E314 HydrophobicContact CB-CG 3.99Å; K141-E314 HydrophobicContact CD-CG 3.96Å; K141-H317 HydrophobicContact CB-CB 4.15Å; K141-H317 VanDerWaalsContact CB-ND1 3.31Å; K141-H317 WeakPolarHBondContact CB-ND1 3.47Å; K141-H317 PolarHBondContact N-ND1 3.44Å
142	G	93.8	Very high	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-85.9	161.9	174.7	0	0	0	0	0	111.9	G139 V144 F145 I146	G139-G142 PolarHBondContact O-N 2.7Å; G142-V144 PolarHBondContact O-N 3.04Å; G142-F145 PolarHBondContact O-N 2.81Å; G142-F145 VanDerWaalsContact O-N 3.08Å; G142-I146 WeakPolarHBondContact O-CG1 3.23Å; G142-I146 PolarHBondContact O-N 2.94Å
143	L	94.8	Very high	93.7	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.068	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.4	-173.8	-168.7	67.2	0	0	0	114.5	H154 R155 L158 E318 F322 R462 I465	L143-H154 HydrophobicContact CD1-CB 4.06Å; L143-R155 HydrophobicContact CD1-CB 4.02Å; L143-L158 HydrophobicContact CB-CD1 4.2Å; L143-L158 HydrophobicContact CD1-CD1 4.18Å; L143-L158 HydrophobicContact CD2-CD1 3.97Å; L143-L158 HydrophobicContact CG-CD1 4.34Å; L143-E318 WeakPolarHBondContact CB-OE2 3.47Å; L143-E318 VanDerWaalsContact N-CD 3.35Å; L143-E318 PolarHBondContact N-OE1 2.71Å; L143-E318 PolarHBondContact N-OE2 2.62Å; L143-E318 VanDerWaalsContact N-OE2 3.09Å; L143-F322 HydrophobicContact CD2-CZ 4.43Å; L143-R462 PolarHBondContact O-NH1 2.99Å; L143-I465 HydrophobicContact CD2-CD1 4.17Å; L143-I465 HydrophobicContact CD2-CG2 4.27Å
144	V	93.7	Very high	93.9	Very high	47 Å²	47	36.6 Å²	36.6	29%	0.285	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-41.1	179.9	177.8	0	0	0	0	112.7	K127 V138 G142 T321	K127-V144 VanDerWaalsContact CE-O 3.26Å; K127-V144 WeakPolarHBondContact CE-O 3.47Å; V138-V144 HydrophobicContact CG2-CB 4.24Å; V138-V144 HydrophobicContact CG2-CG1 4.24Å; V138-V144 HydrophobicContact CG2-CG2 4.46Å; G142-V144 PolarHBondContact O-N 3.04Å; V144-T321 HydrophobicContact CG2-CG2 3.66Å
145	F	94	Very high	94	Very high	46 Å²	46	38.4 Å²	38.4	20%	0.202	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-23	-168.3	-67.1	-50.2	0	0	0	115.4	A130 A134 V135 V138 G142	A130-F145 HydrophobicContact CB-CD1 3.83Å; A130-F145 HydrophobicContact CB-CE1 3.39Å; A130-F145 HydrophobicContact CB-CE2 4.2Å; A130-F145 HydrophobicContact CB-CG 4.44Å; A130-F145 HydrophobicContact CB-CZ 3.61Å; A134-F145 HydrophobicContact CB-CZ 4.03Å; V135-F145 HydrophobicContact CG2-CD2 4.36Å; V135-F145 HydrophobicContact CG2-CE2 4.24Å; V138-F145 HydrophobicContact CG2-CD2 3.83Å; V138-F145 HydrophobicContact CG2-CE2 3.19Å; V138-F145 HydrophobicContact CG2-CZ 3.87Å; G142-F145 PolarHBondContact O-N 2.81Å; G142-F145 VanDerWaalsContact O-N 3.08Å
146	I	93.8	Very high	94	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.097	24%	0.235	C	C	.	.			trans	-61.9	151.9	174.6	60.4	-176.1	0	0	0	110.8	K141 G142 W151 H154 R462	K141-I146 VanDerWaalsContact C-CG2 3.45Å; K141-I146 VanDerWaalsContact CA-CG2 3.48Å; K141-I146 HydrophobicContact CB-CG2 4.42Å; G142-I146 WeakPolarHBondContact O-CG1 3.23Å; G142-I146 PolarHBondContact O-N 2.94Å; I146-W151 HydrophobicContact CD1-CB 4.44Å; I146-W151 HydrophobicContact CG1-CB 3.93Å; I146-W151 HydrophobicContact CG1-CG 4.35Å; I146-H154 HydrophobicContact CD1-CB 3.47Å; I146-H154 VanDerWaalsContact CD1-CB 3.47Å; I146-H154 VanDerWaalsContact CD1-ND1 3.28Å; I146-H154 WeakPolarHBondContact CD1-ND1 3.38Å; I146-R462 VanDerWaalsContact O-CZ 3.32Å; I146-R462 PolarHBondContact O-NH1 2.85Å; I146-R462 PolarHBondContact O-NH2 3.4Å
147	E	92.5	Very high	93.9	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	23%	0.228	S	C	.	.			trans	-130.9	167.3	-175.3	-69.5	-63.4	160.3	0	0	111.5	V126 K127 W151 R462	V126-E147 HydrophobicContact CB-CG 4.21Å; V126-E147 HydrophobicContact CG1-CG 4.37Å; K127-E147 VanDerWaalsContact CB-OE1 3.24Å; K127-E147 WeakPolarHBondContact CB-OE1 3.25Å; K127-E147 VanDerWaalsContact CG-OE1 3.22Å; K127-E147 WeakPolarHBondContact CG-OE1 3.3Å; K127-E147 PolarHBondContact N-OE1 3.13Å; E147-W151 PolarHBondContact O-N 2.68Å; E147-R462 IonicContact OE1-CZ 3.63Å; E147-R462 IonicContact OE1-NH2 3.86Å; E147-R462 PolarHBondContact OE1-NH2 3.15Å; E147-R462 VanDerWaalsContact OE1-NH2 3.16Å; E147-R462 IonicContact OE2-CZ 3.56Å; E147-R462 IonicContact OE2-NH2 2.73Å; E147-R462 PolarHBondContact OE2-NH2 3.14Å
148	G	92	Very high	93.9	Very high	48 Å²	48	41.7 Å²	41.7	50%	0.495	23%	0.228	S	C	.	.	H	α-helix	trans	59	-138.5	171.6	0	0	0	0	0	114.3	D150 W151 V152	G148-D150 VanDerWaalsContact C-N 3.33Å; G148-D150 PolarHBondContact O-N 2.85Å; G148-W151 PolarHBondContact O-N 3.34Å; G148-V152 PolarHBondContact O-N 2.9Å; G148-V152 VanDerWaalsContact O-N 3.1Å
149	A	92.2	Very high	93.8	Very high	83 Å²	83	44.8 Å²	44.8	69%	0.686	24%	0.244	S	C	*	.	H	α-helix	trans	-62.3	-36.9	-174.9	0	0	0	0	0	113.2	V152 R153	A149-V152 PolarHBondContact O-N 3.32Å; A149-R153 WeakPolarHBondContact O-CB 3.31Å; A149-R153 PolarHBondContact O-N 3.36Å
150	D	93	Very high	93.7	Very high	78 Å²	78	48 Å²	48	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-41.4	176.6	-71.5	-32.8	0	0	0	110.9	G148 V152 R153 H154	G148-D150 VanDerWaalsContact C-N 3.33Å; G148-D150 PolarHBondContact O-N 2.85Å; D150-V152 PolarHBondContact O-N 2.8Å; D150-R153 WeakPolarHBondContact O-CB 3.26Å; D150-R153 PolarHBondContact O-N 2.8Å; D150-R153 IonicContact OD1-CZ 3.38Å; D150-R153 IonicContact OD1-NH1 3.2Å; D150-R153 PolarHBondContact OD1-NH1 3.38Å; D150-R153 IonicContact OD1-NH2 3.47Å; D150-R153 PolarHBondContact OD1-NH2 3.03Å; D150-H154 PolarHBondContact O-CD2 3.2Å; D150-H154 PolarHBondContact O-N 2.79Å
151	W	94.5	Very high	93.7	Very high	28 Å²	28	45.4 Å²	45.4	11%	0.106	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-44.4	173.8	-179.9	80.2	0	0	0	112.4	I146 E147 G148 R153 H154 R155 P461 R462	I146-W151 HydrophobicContact CD1-CB 4.44Å; I146-W151 HydrophobicContact CG1-CB 3.93Å; I146-W151 HydrophobicContact CG1-CG 4.35Å; E147-W151 PolarHBondContact O-N 2.68Å; G148-W151 PolarHBondContact O-N 3.34Å; W151-R153 VanDerWaalsContact C-N 3.32Å; W151-R153 PolarHBondContact O-N 2.94Å; W151-H154 PolarHBondContact O-N 3.33Å; W151-R155 HydrophobicContact CH2-CB 4.3Å; W151-R155 HydrophobicContact CH2-CG 4.07Å; W151-R155 HydrophobicContact CZ2-CB 4.15Å; W151-R155 HydrophobicContact CZ2-CG 3.96Å; W151-R155 VanDerWaalsContact O-CB 3.3Å; W151-R155 WeakPolarHBondContact O-CB 3.06Å; W151-R155 PolarHBondContact O-N 2.96Å; W151-P461 HydrophobicContact CH2-CB 3.9Å; W151-P461 WeakPolarHBondContact CH2-O 3.48Å; W151-P461 WeakPolarHBondContact CZ2-O 3.4Å; W151-P461 HydrophobicContact CZ3-CB 4.25Å; W151-R462 VanDerWaalsContact CG-CZ 3.48Å; W151-R462 HydrophobicContact CZ2-CG 4.27Å; W151-R462 VanDerWaalsContact NE1-CZ 3.34Å
152	V	93.8	Very high	93.6	Very high	74 Å²	74	43.3 Å²	43.3	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-44	177.2	174.7	0	0	0	0	110.7	G148 A149 D150 R156	G148-V152 PolarHBondContact O-N 2.9Å; G148-V152 VanDerWaalsContact O-N 3.1Å; A149-V152 PolarHBondContact O-N 3.32Å; D150-V152 PolarHBondContact O-N 2.8Å; V152-R156 WeakPolarHBondContact O-CB 3.37Å; V152-R156 PolarHBondContact O-N 2.88Å
153	R	94.7	Very high	93.4	Very high	46 Å²	46	45.5 Å²	45.5	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-53	177.3	-175.2	-179.3	75.1	-135.2	-3.8	111.3	A149 D150 W151 R155 R156 I157 E307 E314	A149-R153 WeakPolarHBondContact O-CB 3.31Å; A149-R153 PolarHBondContact O-N 3.36Å; D150-R153 WeakPolarHBondContact O-CB 3.26Å; D150-R153 PolarHBondContact O-N 2.8Å; D150-R153 IonicContact OD1-CZ 3.38Å; D150-R153 IonicContact OD1-NH1 3.2Å; D150-R153 PolarHBondContact OD1-NH1 3.38Å; D150-R153 IonicContact OD1-NH2 3.47Å; D150-R153 PolarHBondContact OD1-NH2 3.03Å; W151-R153 VanDerWaalsContact C-N 3.32Å; W151-R153 PolarHBondContact O-N 2.94Å; R153-R155 PolarHBondContact O-N 3.13Å; R153-R156 PolarHBondContact O-N 2.66Å; R153-I157 HydrophobicContact CG-CD1 4.01Å; R153-I157 WeakPolarHBondContact O-CG1 3.47Å; R153-I157 PolarHBondContact O-N 3.08Å; R153-E307 WeakPolarHBondContact CG-O 3.38Å; R153-E314 IonicContact NH2-OE1 2.88Å; R153-E314 PolarHBondContact NH2-OE1 3.43Å; R153-E314 IonicContact NH2-OE2 2.62Å
154	H	95.8	Very high	93.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-45.9	-179.5	-76.5	-133.1	0	0	0	111.2	K141 L143 I146 D150 W151 R156 I157 L158 M310 E314 E318	K141-H154 PolarHBondContact O-CE1 3.37Å; K141-H154 VanDerWaalsContact O-CE1 3.28Å; L143-H154 HydrophobicContact CD1-CB 4.06Å; I146-H154 HydrophobicContact CD1-CB 3.47Å; I146-H154 VanDerWaalsContact CD1-CB 3.47Å; I146-H154 VanDerWaalsContact CD1-ND1 3.28Å; I146-H154 WeakPolarHBondContact CD1-ND1 3.38Å; D150-H154 PolarHBondContact O-CD2 3.2Å; D150-H154 PolarHBondContact O-N 2.79Å; W151-H154 PolarHBondContact O-N 3.33Å; H154-R156 VanDerWaalsContact C-N 3.27Å; H154-R156 PolarHBondContact O-N 2.99Å; H154-I157 PolarHBondContact O-N 2.82Å; H154-I157 VanDerWaalsContact O-N 3.14Å; H154-L158 HydrophobicContact CB-CD1 4.4Å; H154-L158 WeakPolarHBondContact O-CB 3.41Å; H154-L158 WeakPolarHBondContact O-CD1 3.27Å; H154-L158 VanDerWaalsContact O-CG 3.25Å; H154-L158 WeakPolarHBondContact O-CG 3.29Å; H154-L158 PolarHBondContact O-N 3.39Å; H154-M310 HydrophobicContact CB-CE 4.43Å; H154-E314 IonicContact NE2-OE1 3.97Å; H154-E318 IonicContact CE1-OE1 3.18Å; H154-E318 IonicContact CG-OE1 2.87Å; H154-E318 IonicContact ND1-OE1 2.61Å; H154-E318 PolarHBondContact ND1-OE1 3.02Å
155	R	95	Very high	92.7	Very high	40 Å²	40	53.3 Å²	53.3	15%	0.151	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-40.7	177.8	-169.2	67.3	-174.5	-135.4	-6.9	111.7	L143 W151 R153 L158 N159 A463 I465	L143-R155 HydrophobicContact CD1-CB 4.02Å; W151-R155 HydrophobicContact CH2-CB 4.3Å; W151-R155 HydrophobicContact CH2-CG 4.07Å; W151-R155 HydrophobicContact CZ2-CB 4.15Å; W151-R155 HydrophobicContact CZ2-CG 3.96Å; W151-R155 VanDerWaalsContact O-CB 3.3Å; W151-R155 WeakPolarHBondContact O-CB 3.06Å; W151-R155 PolarHBondContact O-N 2.96Å; R153-R155 PolarHBondContact O-N 3.13Å; R155-L158 PolarHBondContact O-N 2.71Å; R155-N159 PolarHBondContact NE-OD1 3.3Å; R155-N159 WeakPolarHBondContact O-CB 3.42Å; R155-N159 PolarHBondContact O-N 3.42Å; R155-N159 PolarHBondContact O-ND2 2.93Å; R155-N159 PolarHBondContact O-OD1 2.75Å; R155-A463 PolarHBondContact NH1-O 3.41Å; R155-A463 PolarHBondContact NH2-O 3.37Å; R155-I465 VanDerWaalsContact CZ-CB 3.42Å; R155-I465 VanDerWaalsContact NH2-CA 3.34Å
156	R	94.1	Very high	92.4	Very high	141 Å²	141	54.4 Å²	54.4	53%	0.532	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.4	-177.9	-176.6	-73.7	179.7	-4.8	112.1	V152 R153 H154 L158 P160	V152-R156 WeakPolarHBondContact O-CB 3.37Å; V152-R156 PolarHBondContact O-N 2.88Å; R153-R156 PolarHBondContact O-N 2.66Å; H154-R156 VanDerWaalsContact C-N 3.27Å; H154-R156 PolarHBondContact O-N 2.99Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-P160 WeakPolarHBondContact O-CD 3.5Å
157	I	93.9	Very high	92.2	Very high	18 Å²	18	53.6 Å²	53.6	9%	0.092	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-38.7	178	-68.5	164.5	0	0	0	111.1	R153 H154 P160 I296 A300 R308 M310	R153-I157 HydrophobicContact CG-CD1 4.01Å; R153-I157 WeakPolarHBondContact O-CG1 3.47Å; R153-I157 PolarHBondContact O-N 3.08Å; H154-I157 PolarHBondContact O-N 2.82Å; H154-I157 VanDerWaalsContact O-N 3.14Å; I157-P160 WeakPolarHBondContact O-CD 3.28Å; I157-I296 HydrophobicContact CG2-CG2 4.31Å; I157-I296 VanDerWaalsContact O-CG2 3.27Å; I157-I296 WeakPolarHBondContact O-CG2 3.39Å; I157-A300 HydrophobicContact CD1-CB 4.27Å; I157-A300 HydrophobicContact CG1-CB 4.5Å; I157-A300 HydrophobicContact CG2-CB 3.71Å; I157-R308 WeakPolarHBondContact CD1-O 3.43Å; I157-M310 HydrophobicContact CD1-CE 4Å; I157-M310 HydrophobicContact CG2-CE 4.44Å
158	L	94.7	Very high	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-84.4	-31.5	-172.6	-68.9	163.6	0	0	0	114.1	L143 H154 R155 R156 P160 A161 F162 L293 L297 E318 F322 I465	L143-L158 HydrophobicContact CB-CD1 4.2Å; L143-L158 HydrophobicContact CD1-CD1 4.18Å; L143-L158 HydrophobicContact CD2-CD1 3.97Å; L143-L158 HydrophobicContact CG-CD1 4.34Å; H154-L158 HydrophobicContact CB-CD1 4.4Å; H154-L158 WeakPolarHBondContact O-CB 3.41Å; H154-L158 WeakPolarHBondContact O-CD1 3.27Å; H154-L158 VanDerWaalsContact O-CG 3.25Å; H154-L158 WeakPolarHBondContact O-CG 3.29Å; H154-L158 PolarHBondContact O-N 3.39Å; R155-L158 PolarHBondContact O-N 2.71Å; R156-L158 VanDerWaalsContact C-N 3.34Å; L158-P160 VanDerWaalsContact C-N 3.33Å; L158-A161 VanDerWaalsContact O-CB 3.29Å; L158-A161 WeakPolarHBondContact O-CB 3.22Å; L158-A161 PolarHBondContact O-N 3.16Å; L158-F162 WeakPolarHBondContact O-CD2 3.44Å; L158-L293 HydrophobicContact CD2-CD1 3.59Å; L158-L297 HydrophobicContact CD2-CD2 3.84Å; L158-L297 HydrophobicContact CD2-CG 4.35Å; L158-E318 HydrophobicContact CD1-CG 4.44Å; L158-F322 HydrophobicContact CD1-CE2 3.82Å; L158-F322 HydrophobicContact CD1-CZ 3.91Å; L158-F322 HydrophobicContact CD2-CE2 3.54Å; L158-F322 HydrophobicContact CD2-CZ 3.88Å; L158-F322 HydrophobicContact CG-CE2 4.27Å; L158-F322 HydrophobicContact CG-CZ 4.34Å; L158-I465 HydrophobicContact CB-CD1 3.76Å
159	N	93.5	Very high	91.6	Very high	75 Å²	75	58.2 Å²	58.2	40%	0.401	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-51	-40.9	-177.1	-81.2	-14.2	0	0	0	114.5	R155 A161 F162	R155-N159 PolarHBondContact NE-OD1 3.3Å; R155-N159 WeakPolarHBondContact O-CB 3.42Å; R155-N159 PolarHBondContact O-N 3.42Å; R155-N159 PolarHBondContact O-ND2 2.93Å; R155-N159 PolarHBondContact O-OD1 2.75Å; N159-A161 PolarHBondContact O-N 2.84Å; N159-F162 PolarHBondContact O-N 3.35Å
160	P	91.4	Very high	91.5	Very high	66 Å²	66	54.8 Å²	54.8	43%	0.429	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29.1	177	-27.1	36	0	0	0	114.6	R156 I157 L158 F162 S163 R166	R156-P160 WeakPolarHBondContact O-CD 3.5Å; I157-P160 WeakPolarHBondContact O-CD 3.28Å; L158-P160 VanDerWaalsContact C-N 3.33Å; P160-F162 PolarHBondContact O-N 3.39Å; P160-S163 PolarHBondContact O-N 3.12Å; P160-S163 PolarHBondContact O-OG 3Å; P160-R166 VanDerWaalsContact O-CG 3.3Å; P160-R166 WeakPolarHBondContact O-CG 3.5Å
161	A	91.4	Very high	91.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-65.7	-20.9	177.9	0	0	0	0	0	112.7	L158 N159 L293 I296	L158-A161 VanDerWaalsContact O-CB 3.29Å; L158-A161 WeakPolarHBondContact O-CB 3.22Å; L158-A161 PolarHBondContact O-N 3.16Å; N159-A161 PolarHBondContact O-N 2.84Å; A161-L293 HydrophobicContact CB-CB 4.49Å; A161-L293 HydrophobicContact CB-CD1 3.66Å; A161-I296 VanDerWaalsContact CA-CD1 3.49Å; A161-I296 HydrophobicContact CB-CD1 3.53Å
162	F	92.5	Very high	91.3	Very high	26 Å²	26	54.1 Å²	54.1	11%	0.114	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-111.4	18.8	-177	-59.6	-82.4	0	0	0	112.4	L158 N159 P160 L293 F322 I465 F469	L158-F162 WeakPolarHBondContact O-CD2 3.44Å; N159-F162 PolarHBondContact O-N 3.35Å; P160-F162 PolarHBondContact O-N 3.39Å; F162-L293 HydrophobicContact CE2-CD1 4.24Å; F162-F322 AromaticContact CE2-CE1 3.65Å; F162-F322 HydrophobicContact CE2-CE1 3.65Å; F162-F322 HydrophobicContact CE2-CZ 4.01Å; F162-F322 AromaticContact CZ-CD1 3.86Å; F162-F322 HydrophobicContact CZ-CD1 3.86Å; F162-F322 AromaticContact CZ-CE1 3.37Å; F162-F322 HydrophobicContact CZ-CE1 3.37Å; F162-F322 HydrophobicContact CZ-CZ 4.17Å; F162-I465 HydrophobicContact CD2-CB 4.47Å; F162-I465 HydrophobicContact CD2-CD1 3.6Å; F162-I465 HydrophobicContact CD2-CG1 3.56Å; F162-I465 HydrophobicContact CD2-CG2 4.31Å; F162-I465 HydrophobicContact CE2-CD1 3.79Å; F162-I465 HydrophobicContact CE2-CG1 3.99Å; F162-I465 HydrophobicContact CE2-CG2 3.94Å; F162-I465 HydrophobicContact CG-CG1 4.1Å; F162-I465 HydrophobicContact CZ-CG2 4.14Å; F162-F469 HydrophobicContact CD1-CB 4.19Å; F162-F469 HydrophobicContact CE1-CB 4.35Å
163	S	90.8	Very high	91.2	Very high	46 Å²	46	52 Å²	52	32%	0.322	26%	0.259	S	S	.	.	S	Bend	trans	-71.1	155.6	172.2	80	0	0	0	0	111.1	P160 D165 R166 L167	P160-S163 PolarHBondContact O-N 3.12Å; P160-S163 PolarHBondContact O-OG 3Å; S163-D165 PolarHBondContact O-N 3.32Å; S163-R166 PolarHBondContact O-N 2.98Å; S163-R166 VanDerWaalsContact O-N 3.11Å; S163-R166 WeakPolarHBondContact OG-CG 3.4Å; S163-R166 PolarHBondContact OG-N 3.13Å; S163-L167 VanDerWaalsContact O-CG 3.3Å; S163-L167 WeakPolarHBondContact O-CG 3.48Å; S163-L167 PolarHBondContact O-N 3.37Å
164	I	86.9	Confident	91.2	Very high	118 Å²	118	49.9 Å²	49.9	61%	0.605	25%	0.251	S	S	*	.	H	α-helix	trans	-55.6	-41.5	-178.4	-64.8	172.4	0	0	0	111.3	R166 L167 K168	I164-R166 PolarHBondContact O-N 2.91Å; I164-L167 PolarHBondContact O-N 3.24Å; I164-K168 WeakPolarHBondContact O-CG 3.37Å; I164-K168 PolarHBondContact O-N 3.36Å
165	D	86.5	Confident	91.2	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	25%	0.254	S	S	*	.	H	α-helix	trans	-66.5	-36.1	-179.2	-60.7	-37.6	0	0	0	112.6	S163 K168	S163-D165 PolarHBondContact O-N 3.32Å; D165-K168 IonicContact OD1-NZ 3.86Å
166	R	87.6	Confident	91.2	Very high	69 Å²	69	52.2 Å²	52.2	26%	0.26	27%	0.267	S	S	.	.	H	α-helix	trans	-69.4	-39.8	174.1	-63.1	-53.8	178.2	-171.7	5.7	111.7	P160 S163 I164 K168 I169 M170 D291	P160-R166 VanDerWaalsContact O-CG 3.3Å; P160-R166 WeakPolarHBondContact O-CG 3.5Å; S163-R166 PolarHBondContact O-N 2.98Å; S163-R166 VanDerWaalsContact O-N 3.11Å; S163-R166 WeakPolarHBondContact OG-CG 3.4Å; S163-R166 PolarHBondContact OG-N 3.13Å; I164-R166 PolarHBondContact O-N 2.91Å; R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.66Å; R166-I169 PolarHBondContact O-N 2.79Å; R166-I169 VanDerWaalsContact O-N 3.12Å; R166-M170 WeakPolarHBondContact O-CG 3.42Å; R166-M170 PolarHBondContact O-N 3.44Å; R166-D291 VanDerWaalsContact CZ-CG 3.41Å; R166-D291 IonicContact CZ-OD2 3.88Å; R166-D291 VanDerWaalsContact NH1-CG 3.28Å; R166-D291 IonicContact NH1-OD2 3.87Å; R166-D291 PolarHBondContact NH1-OD2 2.95Å; R166-D291 IonicContact NH2-OD1 2.7Å; R166-D291 PolarHBondContact NH2-OD1 3.49Å; R166-D291 IonicContact NH2-OD2 2.8Å; R166-D291 PolarHBondContact NH2-OD2 3.47Å
167	L	89.2	Confident	91.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-30.8	178.9	-64.7	173.7	0	0	0	112.6	S163 I164 I169 M170 T171 N468 F469 I472	S163-L167 VanDerWaalsContact O-CG 3.3Å; S163-L167 WeakPolarHBondContact O-CG 3.48Å; S163-L167 PolarHBondContact O-N 3.37Å; I164-L167 PolarHBondContact O-N 3.24Å; L167-I169 VanDerWaalsContact C-N 3.34Å; L167-I169 PolarHBondContact O-N 2.9Å; L167-M170 HydrophobicContact CD2-SD 4.05Å; L167-M170 PolarHBondContact O-N 3.16Å; L167-T171 PolarHBondContact O-N 3.49Å; L167-T171 PolarHBondContact O-OG1 3.31Å; L167-N468 HydrophobicContact CD1-CB 3.38Å; L167-F469 HydrophobicContact CD2-CB 3.79Å; L167-F469 HydrophobicContact CD2-CD2 3.87Å; L167-F469 HydrophobicContact CD2-CG 4.34Å; L167-I472 HydrophobicContact CB-CD1 3.65Å; L167-I472 HydrophobicContact CD1-CD1 3.95Å; L167-I472 HydrophobicContact CG-CD1 4.32Å
168	K	86.4	Confident	91.4	Very high	97 Å²	97	45 Å²	45	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-44	171	-73.2	176.2	178.8	171.3	0	111.9	I164 D165 R166 T171 S367	I164-K168 WeakPolarHBondContact O-CG 3.37Å; I164-K168 PolarHBondContact O-N 3.36Å; D165-K168 IonicContact OD1-NZ 3.86Å; R166-K168 VanDerWaalsContact C-N 3.27Å; R166-K168 PolarHBondContact O-N 2.66Å; K168-T171 VanDerWaalsContact O-CB 3.3Å; K168-T171 WeakPolarHBondContact O-CB 2.95Å; K168-T171 PolarHBondContact O-N 2.95Å; K168-S367 WeakPolarHBondContact CE-OG 3.36Å
169	I	85.5	Confident	91.5	Very high	106 Å²	106	48.1 Å²	48.1	54%	0.544	26%	0.256	S	S	.	.	H	α-helix	trans	-67.3	-42.5	177.6	-60.3	168.6	0	0	0	110.5	R166 L167 T171 T172	R166-I169 PolarHBondContact O-N 2.79Å; R166-I169 VanDerWaalsContact O-N 3.12Å; L167-I169 VanDerWaalsContact C-N 3.34Å; L167-I169 PolarHBondContact O-N 2.9Å; I169-T171 PolarHBondContact O-N 2.84Å; I169-T172 PolarHBondContact O-N 3.45Å
170	M	90.2	Very high	91.6	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.059	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-25.7	177.5	-64.6	178.9	-178.7	0	0	112.8	R166 L167 T172 V173 M174 F469	R166-M170 WeakPolarHBondContact O-CG 3.42Å; R166-M170 PolarHBondContact O-N 3.44Å; L167-M170 HydrophobicContact CD2-SD 4.05Å; L167-M170 PolarHBondContact O-N 3.16Å; M170-T172 VanDerWaalsContact C-N 3.28Å; M170-T172 PolarHBondContact O-N 3.26Å; M170-V173 WeakPolarHBondContact O-CB 3.4Å; M170-V173 PolarHBondContact O-N 3.06Å; M170-V173 VanDerWaalsContact O-N 3.16Å; M170-M174 HydrophobicContact CB-CE 4.34Å; M170-M174 WeakPolarHBondContact O-CG 3.42Å; M170-M174 PolarHBondContact O-N 3.47Å; M170-F469 HydrophobicContact SD-CD2 3.78Å; M170-F469 HydrophobicContact SD-CE2 3.81Å
171	T	91.9	Very high	91.8	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.043	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-40.3	175.7	-57.7	0	0	0	0	111.1	L167 K168 I169 V173 M174 V175 F370 I472	L167-T171 PolarHBondContact O-N 3.49Å; L167-T171 PolarHBondContact O-OG1 3.31Å; K168-T171 VanDerWaalsContact O-CB 3.3Å; K168-T171 WeakPolarHBondContact O-CB 2.95Å; K168-T171 PolarHBondContact O-N 2.95Å; I169-T171 PolarHBondContact O-N 2.84Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.33Å; T171-M174 WeakPolarHBondContact O-CB 3.25Å; T171-M174 PolarHBondContact O-N 3.09Å; T171-M174 VanDerWaalsContact O-N 3.15Å; T171-V175 HydrophobicContact CG2-CG2 4.35Å; T171-V175 WeakPolarHBondContact O-CG2 3.42Å; T171-V175 PolarHBondContact O-N 2.92Å; T171-F370 HydrophobicContact CG2-CE2 3.56Å; T171-F370 HydrophobicContact CG2-CZ 3.78Å; T171-I472 WeakPolarHBondContact OG1-CG2 3.31Å
172	T	91.8	Very high	92.1	Very high	84 Å²	84	48.9 Å²	48.9	52%	0.515	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-42.9	177.3	-49.4	0	0	0	0	111.2	I169 M170 V175 D176	I169-T172 PolarHBondContact O-N 3.45Å; M170-T172 VanDerWaalsContact C-N 3.28Å; M170-T172 PolarHBondContact O-N 3.26Å; T172-V175 PolarHBondContact O-N 3.2Å; T172-D176 VanDerWaalsContact O-CG 3.27Å; T172-D176 PolarHBondContact O-N 2.74Å
173	V	92	Very high	92.2	Very high	31 Å²	31	51.5 Å²	51.5	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176	176.1	0	0	0	0	111.4	M170 T171 V175 D176 C177 T217	M170-V173 WeakPolarHBondContact O-CB 3.4Å; M170-V173 PolarHBondContact O-N 3.06Å; M170-V173 VanDerWaalsContact O-N 3.16Å; T171-V173 VanDerWaalsContact C-N 3.29Å; T171-V173 PolarHBondContact O-N 3.33Å; V173-V175 VanDerWaalsContact C-N 3.31Å; V173-V175 PolarHBondContact O-N 3.17Å; V173-D176 PolarHBondContact O-N 3.41Å; V173-C177 WeakPolarHBondContact O-CB 3.38Å; V173-C177 PolarHBondContact O-N 3.16Å; V173-C177 PolarHBondContact O-SG 2.89Å; V173-T217 HydrophobicContact CG1-CG2 3.47Å; V173-T217 VanDerWaalsContact CG1-CG2 3.47Å; V173-T217 HydrophobicContact CG2-CG2 4.37Å
174	M	94.7	Very high	92.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-44.2	176.4	-66.1	166.6	-179.7	0	0	111.3	M170 T171 T178 I214 F469 I472 E473 T476	M170-M174 HydrophobicContact CB-CE 4.34Å; M170-M174 WeakPolarHBondContact O-CG 3.42Å; M170-M174 PolarHBondContact O-N 3.47Å; T171-M174 WeakPolarHBondContact O-CB 3.25Å; T171-M174 PolarHBondContact O-N 3.09Å; T171-M174 VanDerWaalsContact O-N 3.15Å; M174-T178 VanDerWaalsContact O-CB 3.27Å; M174-T178 WeakPolarHBondContact O-CB 3.44Å; M174-T178 PolarHBondContact O-N 3.46Å; M174-T178 PolarHBondContact O-OG1 3.39Å; M174-I214 HydrophobicContact CB-CD1 4.35Å; M174-I214 HydrophobicContact CE-CG2 4.42Å; M174-I214 HydrophobicContact CG-CD1 4.32Å; M174-I214 HydrophobicContact CG-CG2 3.67Å; M174-F469 HydrophobicContact CE-CD1 4.37Å; M174-F469 HydrophobicContact CE-CD2 3.46Å; M174-F469 VanDerWaalsContact CE-CD2 3.46Å; M174-F469 HydrophobicContact CE-CE1 4.14Å; M174-F469 HydrophobicContact CE-CE2 3.17Å; M174-F469 HydrophobicContact CE-CG 4.07Å; M174-F469 HydrophobicContact CE-CZ 3.56Å; M174-I472 HydrophobicContact CE-CG2 4.44Å; M174-I472 HydrophobicContact SD-CG2 3.73Å; M174-E473 HydrophobicContact CE-CB 3.83Å; M174-E473 HydrophobicContact CE-CG 4.41Å; M174-E473 HydrophobicContact SD-CB 3.95Å; M174-E473 HydrophobicContact SD-CG 4.45Å; M174-T476 HydrophobicContact CB-CG2 3.93Å
175	V	96	Very high	92.8	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-49.9	175.9	168.2	0	0	0	0	110.5	T171 T172 V173 C177 T178 L179 T364 T476 M480	T171-V175 HydrophobicContact CG2-CG2 4.35Å; T171-V175 WeakPolarHBondContact O-CG2 3.42Å; T171-V175 PolarHBondContact O-N 2.92Å; T172-V175 PolarHBondContact O-N 3.2Å; V173-V175 VanDerWaalsContact C-N 3.31Å; V173-V175 PolarHBondContact O-N 3.17Å; V175-C177 PolarHBondContact O-N 3.28Å; V175-T178 PolarHBondContact O-N 2.96Å; V175-T178 VanDerWaalsContact O-N 3.16Å; V175-L179 HydrophobicContact CG1-CD1 4Å; V175-L179 HydrophobicContact CG1-CG 4.26Å; V175-L179 WeakPolarHBondContact O-CB 2.81Å; V175-L179 WeakPolarHBondContact O-CG 3.47Å; V175-L179 PolarHBondContact O-N 3.4Å; V175-T364 HydrophobicContact CG1-CG2 3.55Å; V175-T476 HydrophobicContact CG2-CG2 3.72Å; V175-M480 HydrophobicContact CB-SD 4.33Å; V175-M480 HydrophobicContact CG1-CE 4.11Å; V175-M480 HydrophobicContact CG1-SD 4.26Å; V175-M480 HydrophobicContact CG2-SD 4.06Å
176	D	94.6	Very high	93.1	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-44.7	-177.6	-70.6	-18.3	0	0	0	112.4	T172 V173 T178 L179 K180	T172-D176 VanDerWaalsContact O-CG 3.27Å; T172-D176 PolarHBondContact O-N 2.74Å; V173-D176 PolarHBondContact O-N 3.41Å; D176-T178 VanDerWaalsContact C-N 3.33Å; D176-L179 PolarHBondContact O-N 3Å; D176-K180 WeakPolarHBondContact O-CG 3.41Å; D176-K180 PolarHBondContact O-N 3.07Å; D176-K180 VanDerWaalsContact O-N 3.16Å
177	C	94.6	Very high	93.3	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-42.3	174.8	-72.8	0	0	0	0	111.3	V173 V175 K180 M181 L210 I214	V173-C177 WeakPolarHBondContact O-CB 3.38Å; V173-C177 PolarHBondContact O-N 3.16Å; V173-C177 PolarHBondContact O-SG 2.89Å; V175-C177 PolarHBondContact O-N 3.28Å; C177-K180 PolarHBondContact O-N 3.33Å; C177-M181 PolarHBondContact O-N 3.32Å; C177-L210 HydrophobicContact CB-CD1 3.91Å; C177-I214 HydrophobicContact CB-CD1 4.44Å; C177-I214 HydrophobicContact CB-CG1 3.62Å
178	T	96.9	Very high	93.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-40.3	179.6	-54.9	0	0	0	0	111.6	M174 V175 D176 K180 M181 L182 M480	M174-T178 VanDerWaalsContact O-CB 3.27Å; M174-T178 WeakPolarHBondContact O-CB 3.44Å; M174-T178 PolarHBondContact O-N 3.46Å; M174-T178 PolarHBondContact O-OG1 3.39Å; V175-T178 PolarHBondContact O-N 2.96Å; V175-T178 VanDerWaalsContact O-N 3.16Å; D176-T178 VanDerWaalsContact C-N 3.33Å; T178-K180 VanDerWaalsContact C-N 3.34Å; T178-K180 PolarHBondContact O-N 2.89Å; T178-M181 PolarHBondContact O-N 3.44Å; T178-L182 HydrophobicContact CG2-CD1 3.83Å; T178-L182 HydrophobicContact CG2-CG 4.31Å; T178-L182 VanDerWaalsContact O-CG 3.29Å; T178-L182 WeakPolarHBondContact O-CG 3.38Å; T178-L182 PolarHBondContact O-N 2.94Å; T178-M480 HydrophobicContact CG2-CB 3.89Å; T178-M480 HydrophobicContact CG2-CE 3.78Å; T178-M480 HydrophobicContact CG2-CG 4.48Å; T178-M480 HydrophobicContact CG2-SD 3.8Å
179	L	96.5	Very high	93.4	Very high	65 Å²	65	50.8 Å²	50.8	34%	0.34	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-43.1	175.6	-78.1	176.8	0	0	0	111.6	V175 D176 M181 L182 E183 T364 M480	V175-L179 HydrophobicContact CG1-CD1 4Å; V175-L179 HydrophobicContact CG1-CG 4.26Å; V175-L179 WeakPolarHBondContact O-CB 2.81Å; V175-L179 WeakPolarHBondContact O-CG 3.47Å; V175-L179 PolarHBondContact O-N 3.4Å; D176-L179 PolarHBondContact O-N 3Å; L179-M181 PolarHBondContact O-N 2.93Å; L179-L182 PolarHBondContact O-N 2.78Å; L179-E183 WeakPolarHBondContact O-CB 2.99Å; L179-E183 PolarHBondContact O-N 3.22Å; L179-T364 HydrophobicContact CD1-CG2 4.42Å; L179-M480 HydrophobicContact CB-CE 4.39Å; L179-M480 HydrophobicContact CD2-CE 3.55Å; L179-M480 HydrophobicContact CG-CE 3.54Å
180	K	96	Very high	93.4	Very high	143 Å²	143	50.7 Å²	50.7	62%	0.622	25%	0.249	S	C	*	.	H	α-helix	trans	-59.2	-46.7	177.2	-71.7	170.3	-174.7	172.5	0	111.7	D176 C177 T178 E183 E184	D176-K180 WeakPolarHBondContact O-CG 3.41Å; D176-K180 PolarHBondContact O-N 3.07Å; D176-K180 VanDerWaalsContact O-N 3.16Å; C177-K180 PolarHBondContact O-N 3.33Å; T178-K180 VanDerWaalsContact C-N 3.34Å; T178-K180 PolarHBondContact O-N 2.89Å; K180-E183 PolarHBondContact O-N 3.47Å; K180-E184 PolarHBondContact O-N 3.41Å
181	M	96.6	Very high	93	Very high	9 Å²	9	58 Å²	58	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.4	-177.2	-170.3	72.7	0	0	111.7	C177 T178 L179 E183 E184 W185 E206 L210 I481	C177-M181 PolarHBondContact O-N 3.32Å; T178-M181 PolarHBondContact O-N 3.44Å; L179-M181 PolarHBondContact O-N 2.93Å; M181-E183 VanDerWaalsContact C-N 3.32Å; M181-E183 PolarHBondContact O-N 3.48Å; M181-E184 WeakPolarHBondContact O-CB 3.29Å; M181-E184 PolarHBondContact O-N 2.75Å; M181-W185 HydrophobicContact CE-CH2 3.59Å; M181-W185 HydrophobicContact CE-CZ2 3.61Å; M181-W185 HydrophobicContact CE-CZ3 4.24Å; M181-W185 HydrophobicContact CG-CZ2 3.93Å; M181-W185 PolarHBondContact O-N 3.05Å; M181-W185 VanDerWaalsContact O-N 3.14Å; M181-W185 HydrophobicContact SD-CH2 4.15Å; M181-W185 HydrophobicContact SD-CZ2 3.57Å; M181-W185 VanDerWaalsContact SD-CZ2 3.57Å; M181-E206 HydrophobicContact SD-CB 4.46Å; M181-L210 HydrophobicContact CE-CD2 3.87Å; M181-L210 HydrophobicContact SD-CB 4.03Å; M181-L210 HydrophobicContact SD-CD2 3.83Å; M181-L210 HydrophobicContact SD-CG 4.35Å; M181-I481 HydrophobicContact CE-CD1 4.26Å; M181-I481 HydrophobicContact CE-CG1 4.4Å
182	L	96.3	Very high	92.1	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-32.8	-178.9	-69.2	170.5	0	0	0	112.8	T178 L179 E184 W185 R186 M480 I481 F485	T178-L182 HydrophobicContact CG2-CD1 3.83Å; T178-L182 HydrophobicContact CG2-CG 4.31Å; T178-L182 VanDerWaalsContact O-CG 3.29Å; T178-L182 WeakPolarHBondContact O-CG 3.38Å; T178-L182 PolarHBondContact O-N 2.94Å; L179-L182 PolarHBondContact O-N 2.78Å; L182-E184 VanDerWaalsContact C-N 3.35Å; L182-W185 HydrophobicContact CD2-CE3 3.86Å; L182-W185 HydrophobicContact CD2-CZ3 4.03Å; L182-W185 PolarHBondContact O-N 2.96Å; L182-R186 WeakPolarHBondContact O-CB 3.48Å; L182-R186 PolarHBondContact O-N 2.8Å; L182-M480 HydrophobicContact CD1-CB 3.75Å; L182-M480 HydrophobicContact CD1-CE 4.23Å; L182-I481 HydrophobicContact CD2-CG1 3.92Å; L182-F485 HydrophobicContact CD2-CD2 3.95Å; L182-F485 HydrophobicContact CD2-CE2 3.82Å
183	E	95.2	Very high	91.2	Very high	80 Å²	80	66.6 Å²	66.6	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-36.5	174.6	-177	57.8	-155.1	0	0	111.9	L179 K180 M181 R186 K187	L179-E183 WeakPolarHBondContact O-CB 2.99Å; L179-E183 PolarHBondContact O-N 3.22Å; K180-E183 PolarHBondContact O-N 3.47Å; M181-E183 VanDerWaalsContact C-N 3.32Å; M181-E183 PolarHBondContact O-N 3.48Å; E183-R186 PolarHBondContact O-N 2.91Å; E183-K187 WeakPolarHBondContact O-CG 3.49Å; E183-K187 PolarHBondContact O-N 3.21Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.75Å
184	E	95.1	Very high	90.5	Very high	80 Å²	80	68.8 Å²	68.8	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-45.7	171.3	-66.9	175.2	-178	0	0	111.2	K180 M181 L182 R186 K187 E188 R209	K180-E184 PolarHBondContact O-N 3.41Å; M181-E184 WeakPolarHBondContact O-CB 3.29Å; M181-E184 PolarHBondContact O-N 2.75Å; L182-E184 VanDerWaalsContact C-N 3.35Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.39Å; E184-K187 PolarHBondContact O-N 3.03Å; E184-E188 PolarHBondContact O-N 3.09Å; E184-E188 VanDerWaalsContact O-N 3.09Å; E184-R209 IonicContact OE1-NH1 2.74Å; E184-R209 IonicContact OE2-CZ 3.52Å; E184-R209 VanDerWaalsContact OE2-CZ 3.22Å; E184-R209 IonicContact OE2-NH1 2.77Å; E184-R209 PolarHBondContact OE2-NH1 3.2Å; E184-R209 IonicContact OE2-NH2 3.55Å; E184-R209 PolarHBondContact OE2-NH2 2.82Å
185	W	95.4	Very high	89.5	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-40.3	178.4	-65.5	11.7	0	0	0	112	M181 L182 E188 S189 I199 K201 M203 E206 I481 F485 L514	M181-W185 HydrophobicContact CE-CH2 3.59Å; M181-W185 HydrophobicContact CE-CZ2 3.61Å; M181-W185 HydrophobicContact CE-CZ3 4.24Å; M181-W185 HydrophobicContact CG-CZ2 3.93Å; M181-W185 PolarHBondContact O-N 3.05Å; M181-W185 VanDerWaalsContact O-N 3.14Å; M181-W185 HydrophobicContact SD-CH2 4.15Å; M181-W185 HydrophobicContact SD-CZ2 3.57Å; M181-W185 VanDerWaalsContact SD-CZ2 3.57Å; L182-W185 HydrophobicContact CD2-CE3 3.86Å; L182-W185 HydrophobicContact CD2-CZ3 4.03Å; L182-W185 PolarHBondContact O-N 2.96Å; W185-E188 PolarHBondContact O-N 3.36Å; W185-S189 PolarHBondContact O-N 2.91Å; W185-I199 HydrophobicContact CB-CD1 3.89Å; W185-I199 HydrophobicContact CG-CD1 4.46Å; W185-K201 VanDerWaalsContact CD1-NZ 3.32Å; W185-K201 HydrophobicContact CD2-CG 4.38Å; W185-M203 HydrophobicContact CH2-CE 3.65Å; W185-M203 HydrophobicContact CH2-SD 4.22Å; W185-M203 HydrophobicContact CZ2-CE 4.32Å; W185-M203 HydrophobicContact CZ3-CE 4.44Å; W185-E206 HydrophobicContact CZ2-CB 3.95Å; W185-E206 HydrophobicContact CZ2-CG 3.93Å; W185-E206 PolarHBondContact NE1-OE1 3Å; W185-E206 PolarHBondContact NE1-OE2 2.7Å; W185-E206 VanDerWaalsContact NE1-OE2 3.08Å; W185-I481 HydrophobicContact CH2-CD1 4.17Å; W185-I481 HydrophobicContact CH2-CG1 4.42Å; W185-I481 HydrophobicContact CZ3-CD1 4.32Å; W185-I481 HydrophobicContact CZ3-CG1 4.12Å; W185-I481 HydrophobicContact CZ3-CG2 4.27Å; W185-F485 HydrophobicContact CB-CE1 4.36Å; W185-F485 HydrophobicContact CB-CE2 4.28Å; W185-F485 HydrophobicContact CB-CZ 3.75Å; W185-F485 HydrophobicContact CE3-CD2 4.26Å; W185-F485 HydrophobicContact CE3-CE2 4.19Å; W185-F485 HydrophobicContact CE3-CZ 4.46Å; W185-L514 HydrophobicContact CE3-CD2 4.13Å; W185-L514 HydrophobicContact CZ3-CD2 3.8Å
186	R	91.5	Very high	88.7	Confident	145 Å²	145	80.7 Å²	80.7	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-59.7	-50	174.5	-174.4	-177.3	-179.8	164.7	7.5	110.9	L182 E183 E184 E188 S189 T190	L182-R186 WeakPolarHBondContact O-CB 3.48Å; L182-R186 PolarHBondContact O-N 2.8Å; E183-R186 PolarHBondContact O-N 2.91Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.39Å; R186-E188 PolarHBondContact O-N 2.79Å; R186-S189 PolarHBondContact O-N 3.31Å; R186-S189 VanDerWaalsContact O-N 3.08Å; R186-S189 PolarHBondContact O-OG 3.2Å; R186-T190 PolarHBondContact O-N 3.2Å; R186-T190 VanDerWaalsContact O-N 3.13Å
187	K	92.1	Very high	88.3	Confident	118 Å²	118	78.3 Å²	78.3	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-29.6	177.8	-73.6	171.5	-177.8	166.4	0	113.9	E183 E184 T190	E183-K187 WeakPolarHBondContact O-CG 3.49Å; E183-K187 PolarHBondContact O-N 3.21Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.75Å; E184-K187 PolarHBondContact O-N 3.03Å; K187-T190 PolarHBondContact O-OG1 2.67Å
188	E	91.3	Very high	88.2	Confident	75 Å²	75	82.7 Å²	82.7	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-72.3	-43.2	173.4	-74.2	173.3	-136.1	0	0	111.7	E184 W185 R186 T190 K191 I199 K201	E184-E188 PolarHBondContact O-N 3.09Å; E184-E188 VanDerWaalsContact O-N 3.09Å; W185-E188 PolarHBondContact O-N 3.36Å; R186-E188 PolarHBondContact O-N 2.79Å; E188-T190 VanDerWaalsContact C-N 3.3Å; E188-T190 PolarHBondContact O-N 3Å; E188-K191 WeakPolarHBondContact O-CB 3.31Å; E188-K191 PolarHBondContact O-N 3.16Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-I199 HydrophobicContact CB-CG2 4.44Å; E188-K201 IonicContact OE1-NZ 3.38Å; E188-K201 PolarHBondContact OE1-NZ 2.84Å; E188-K201 VanDerWaalsContact OE2-CE 3.22Å; E188-K201 WeakPolarHBondContact OE2-CE 3.25Å; E188-K201 IonicContact OE2-NZ 3.61Å; E188-K201 PolarHBondContact OE2-NZ 3.37Å
189	S	87.3	Confident	88.1	Confident	7 Å²	7	83.1 Å²	83.1	5%	0.049	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-33.5	178.4	67.2	0	0	0	0	113.7	W185 R186 K191 E192 P197 I199	W185-S189 PolarHBondContact O-N 2.91Å; R186-S189 PolarHBondContact O-N 3.31Å; R186-S189 VanDerWaalsContact O-N 3.08Å; R186-S189 PolarHBondContact O-OG 3.2Å; S189-K191 PolarHBondContact O-N 3.15Å; S189-E192 PolarHBondContact O-N 3.17Å; S189-P197 WeakPolarHBondContact O-CB 3.37Å; S189-I199 VanDerWaalsContact CA-CG2 3.49Å
190	T	84.5	Confident	88.1	Confident	104 Å²	104	85.4 Å²	85.4	64%	0.638	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.3	177.6	53.4	0	0	0	0	114.2	R186 K187 E188 E192	R186-T190 PolarHBondContact O-N 3.2Å; R186-T190 VanDerWaalsContact O-N 3.13Å; K187-T190 PolarHBondContact O-OG1 2.67Å; E188-T190 VanDerWaalsContact C-N 3.3Å; E188-T190 PolarHBondContact O-N 3Å; T190-E192 VanDerWaalsContact C-N 3.31Å
191	K	82.5	Confident	88.2	Confident	166 Å²	166	79 Å²	79	72%	0.722	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.6	176	-64.9	175	-176.7	174.7	0	112.5	E188 S189	E188-K191 WeakPolarHBondContact O-CB 3.31Å; E188-K191 PolarHBondContact O-N 3.16Å; E188-K191 VanDerWaalsContact O-N 3.15Å; S189-K191 PolarHBondContact O-N 3.15Å
192	E	73.8	Confident	88.2	Confident	74 Å²	74	80.7 Å²	80.7	35%	0.346	38%	0.379	S	S	.	.	S	Bend	trans	-94.1	104.3	-179.6	-164.8	172.7	-167.9	0	0	108.6	S189 T190 T194 P197 K198	S189-E192 PolarHBondContact O-N 3.17Å; T190-E192 VanDerWaalsContact C-N 3.31Å; E192-T194 HydrophobicContact CG-CG2 4.19Å; E192-T194 PolarHBondContact O-N 3.09Å; E192-P197 HydrophobicContact CB-CB 4.08Å; E192-K198 WeakPolarHBondContact OE2-CA 3.43Å; E192-K198 PolarHBondContact OE2-N 3.36Å
193	E	72	Confident	88.3	Confident	197 Å²	197	80.4 Å²	80.4	92%	0.921	38%	0.377	S	S	*	.			trans	-74.6	57.7	-178.8	-65.3	-179.3	177.1	0	0	111.6
194	T	77.7	Confident	88.4	Confident	76 Å²	76	76.9 Å²	76.9	47%	0.466	36%	0.361	S	S	.	.	S	Bend	trans	-126.9	152.4	175.2	65.5	0	0	0	0	110.1	E192 H196 P197	E192-T194 HydrophobicContact CG-CG2 4.19Å; E192-T194 PolarHBondContact O-N 3.09Å; T194-H196 PolarHBondContact O-N 3.17Å; T194-P197 WeakPolarHBondContact OG1-CA 3.31Å
195	E	73.4	Confident	88.4	Confident	173 Å²	173	79.4 Å²	79.4	81%	0.808	37%	0.373	S	S	*	.	S	Bend	trans	-60.9	-26.8	179.1	-164.7	170.9	-166.3	0	0	112.2
196	H	78.6	Confident	88.5	Confident	88 Å²	88	80.5 Å²	80.5	41%	0.407	38%	0.378	S	S	.	.	S	Bend	trans	-131.3	80.5	177.5	-61.7	-52.4	0	0	0	110.7	T194 E518	T194-H196 PolarHBondContact O-N 3.17Å; H196-E518 IonicContact CE1-OE1 3.03Å; H196-E518 PolarHBondContact CE1-OE1 3.19Å; H196-E518 IonicContact ND1-OE1 2.9Å; H196-E518 PolarHBondContact ND1-OE1 3.49Å
197	P	88.1	Confident	88.8	Confident	29 Å²	29	73.6 Å²	73.6	19%	0.188	35%	0.352	C	S	.	.			trans	-61.5	139.5	-176.1	25.2	-33.3	0	0	0	111.3	S189 E192 T194 P516	S189-P197 WeakPolarHBondContact O-CB 3.37Å; E192-P197 HydrophobicContact CB-CB 4.08Å; T194-P197 WeakPolarHBondContact OG1-CA 3.31Å; P197-P516 HydrophobicContact CG-CG 4.04Å; P197-P516 WeakPolarHBondContact O-CD 3.4Å
198	K	92	Very high	88.9	Confident	101 Å²	101	70.3 Å²	70.3	44%	0.439	34%	0.339	S	S	.	.			trans	-127.6	110.3	179.9	-65.6	-177.8	-175.4	173.8	0	110	E192 I488 M513 L514	E192-K198 WeakPolarHBondContact OE2-CA 3.43Å; E192-K198 PolarHBondContact OE2-N 3.36Å; K198-I488 HydrophobicContact CB-CD1 4.44Å; K198-I488 HydrophobicContact CD-CD1 3.81Å; K198-I488 HydrophobicContact CG-CD1 3.77Å; K198-M513 HydrophobicContact CB-CE 3.76Å; K198-L514 CarbonylContact C-O 3.56Å; K198-L514 VanDerWaalsContact CA-O 3.28Å; K198-L514 WeakPolarHBondContact CA-O 3.34Å
199	I	95	Very high	89	Confident	10 Å²	10	71 Å²	71	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.4	176.6	64.2	177.4	0	0	0	110.8	W185 E188 S189 K201 F485 L514	W185-I199 HydrophobicContact CB-CD1 3.89Å; W185-I199 HydrophobicContact CG-CD1 4.46Å; E188-I199 HydrophobicContact CB-CG2 4.44Å; S189-I199 VanDerWaalsContact CA-CG2 3.49Å; I199-K201 HydrophobicContact CD1-CG 4.33Å; I199-K201 HydrophobicContact CG1-CG 4.46Å; I199-F485 HydrophobicContact CD1-CD1 4.4Å; I199-F485 HydrophobicContact CD1-CE1 3.74Å; I199-F485 HydrophobicContact CD1-CZ 4.45Å; I199-L514 HydrophobicContact CG1-CB 3.95Å; I199-L514 PolarHBondContact N-O 3.4Å; I199-L514 PolarHBondContact O-N 3.21Å
200	K	96	Very high	89.4	Confident	112 Å²	112	70.9 Å²	70.9	49%	0.487	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130	168.5	175.3	178.7	161.5	-169.3	0	109.3	E493 V512 M513	K200-E493 WeakPolarHBondContact CE-OE1 3.41Å; K200-E493 IonicContact NZ-OE1 3.72Å; K200-E493 PolarHBondContact NZ-OE1 3.27Å; K200-V512 WeakPolarHBondContact CA-O 3.36Å; K200-M513 HydrophobicContact CB-CE 4.44Å; K200-M513 HydrophobicContact CB-SD 3.72Å; K200-M513 HydrophobicContact CG-SD 4.24Å
201	K	97.5	Very high	89.9	Confident	9 Å²	9	66 Å²	66	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.3	173.5	-67.3	-64	-169.6	169.7	0	112.6	W185 E188 I199 M203 E206 P511 V512 L514	W185-K201 VanDerWaalsContact CD1-NZ 3.32Å; W185-K201 HydrophobicContact CD2-CG 4.38Å; E188-K201 IonicContact OE1-NZ 3.38Å; E188-K201 PolarHBondContact OE1-NZ 2.84Å; E188-K201 VanDerWaalsContact OE2-CE 3.22Å; E188-K201 WeakPolarHBondContact OE2-CE 3.25Å; E188-K201 IonicContact OE2-NZ 3.61Å; E188-K201 PolarHBondContact OE2-NZ 3.37Å; I199-K201 HydrophobicContact CD1-CG 4.33Å; I199-K201 HydrophobicContact CG1-CG 4.46Å; K201-M203 HydrophobicContact CB-SD 3.69Å; K201-M203 PolarHBondContact O-N 3.17Å; K201-E206 IonicContact NZ-OE1 3.84Å; K201-E206 PolarHBondContact NZ-OE1 3.17Å; K201-P511 CarbonylContact O-C 3.53Å; K201-P511 WeakPolarHBondContact O-CA 3.47Å; K201-V512 PolarHBondContact N-O 2.93Å; K201-V512 PolarHBondContact O-N 3.48Å; K201-L514 HydrophobicContact CB-CD1 3.56Å; K201-L514 HydrophobicContact CG-CD1 3.71Å
202	E	97.8	Very high	90.4	Very high	44 Å²	44	58.5 Å²	58.5	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	92.4	168.7	-150.3	-42.7	123.4	0	0	107.7	N204 E205 E206 G509 L510	E202-N204 VanDerWaalsContact C-N 3.28Å; E202-N204 PolarHBondContact O-N 3.2Å; E202-N204 WeakPolarHBondContact OE2-CA 3.31Å; E202-N204 VanDerWaalsContact OE2-CB 3.29Å; E202-N204 WeakPolarHBondContact OE2-CB 3.31Å; E202-N204 PolarHBondContact OE2-N 2.79Å; E202-E205 HydrophobicContact CB-CB 4.37Å; E202-E205 HydrophobicContact CG-CB 4.45Å; E202-E205 HydrophobicContact CG-CG 4.16Å; E202-E205 PolarHBondContact O-N 3.18Å; E202-E205 WeakPolarHBondContact OE2-CG 3.27Å; E202-E205 PolarHBondContact OE2-N 3.28Å; E202-E206 VanDerWaalsContact O-CG 3.22Å; E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.47Å; E202-G509 VanDerWaalsContact OE1-C 3.23Å; E202-G509 WeakPolarHBondContact OE1-CA 3.39Å; E202-L510 PolarHBondContact OE1-N 3.32Å
203	M	98.1	Very high	91.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-26.5	-167.2	-62.5	-59.5	-56.2	0	0	113.1	W185 K201 F207 T338 F487 L510 V512 L514	W185-M203 HydrophobicContact CH2-CE 3.65Å; W185-M203 HydrophobicContact CH2-SD 4.22Å; W185-M203 HydrophobicContact CZ2-CE 4.32Å; W185-M203 HydrophobicContact CZ3-CE 4.44Å; K201-M203 HydrophobicContact CB-SD 3.69Å; K201-M203 PolarHBondContact O-N 3.17Å; M203-F207 HydrophobicContact CB-CD2 4.34Å; M203-F207 HydrophobicContact CB-CE2 4.1Å; M203-F207 HydrophobicContact CE-CD2 4.46Å; M203-F207 HydrophobicContact CE-CE1 3.99Å; M203-F207 HydrophobicContact CE-CE2 3.57Å; M203-F207 HydrophobicContact CE-CZ 3.29Å; M203-F207 WeakPolarHBondContact O-CB 3.4Å; M203-F207 WeakPolarHBondContact O-CD2 3.5Å; M203-F207 VanDerWaalsContact O-CG 3.25Å; M203-F207 WeakPolarHBondContact O-CG 3.35Å; M203-F207 PolarHBondContact O-N 3.38Å; M203-T338 HydrophobicContact CB-CG2 4.48Å; M203-T338 HydrophobicContact CE-CG2 4.03Å; M203-T338 HydrophobicContact CG-CG2 3.99Å; M203-F487 HydrophobicContact CE-CE1 4.11Å; M203-L510 HydrophobicContact CB-CB 4.42Å; M203-L510 HydrophobicContact CB-CD2 4.06Å; M203-L510 HydrophobicContact CB-CG 4.23Å; M203-L510 WeakPolarHBondContact CB-O 3.29Å; M203-L510 PolarHBondContact N-O 2.95Å; M203-V512 HydrophobicContact CB-CG2 4.47Å; M203-V512 HydrophobicContact CG-CB 3.71Å; M203-V512 HydrophobicContact CG-CG2 3.56Å; M203-V512 HydrophobicContact SD-CB 4.49Å; M203-L514 HydrophobicContact SD-CD1 4.13Å; M203-L514 HydrophobicContact SD-CD2 4.32Å
204	N	96.6	Very high	92.3	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-47.6	178.4	-173.8	-15.7	0	0	0	110.3	E202 F207 Q208 P506 L510	E202-N204 VanDerWaalsContact C-N 3.28Å; E202-N204 PolarHBondContact O-N 3.2Å; E202-N204 WeakPolarHBondContact OE2-CA 3.31Å; E202-N204 VanDerWaalsContact OE2-CB 3.29Å; E202-N204 WeakPolarHBondContact OE2-CB 3.31Å; E202-N204 PolarHBondContact OE2-N 2.79Å; N204-F207 PolarHBondContact O-N 2.87Å; N204-Q208 WeakPolarHBondContact O-CB 3.46Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.17Å; N204-Q208 PolarHBondContact O-N 3.25Å; N204-Q208 PolarHBondContact OD1-NE2 3.37Å; N204-P506 WeakPolarHBondContact ND2-CD 3.28Å; N204-L510 HydrophobicContact CB-CB 4.48Å
205	E	95.9	Very high	93	Very high	133 Å²	133	44.6 Å²	44.6	62%	0.621	21%	0.207	S	C	*	.	H	α-helix	trans	-63.7	-43.2	176.7	-69.2	-174.7	175.5	0	0	112	E202 F207 Q208 R209	E202-E205 HydrophobicContact CB-CB 4.37Å; E202-E205 HydrophobicContact CG-CB 4.45Å; E202-E205 HydrophobicContact CG-CG 4.16Å; E202-E205 PolarHBondContact O-N 3.18Å; E202-E205 WeakPolarHBondContact OE2-CG 3.27Å; E202-E205 PolarHBondContact OE2-N 3.28Å; E205-F207 PolarHBondContact O-N 3.45Å; E205-Q208 PolarHBondContact O-N 3.36Å; E205-R209 WeakPolarHBondContact O-CB 3.26Å; E205-R209 PolarHBondContact O-N 3.27Å
206	E	97.3	Very high	93.8	Very high	23 Å²	23	36.6 Å²	36.6	11%	0.107	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176.4	-69.4	-72.8	175.6	0	0	111.6	M181 W185 K201 E202 R209 L210	M181-E206 HydrophobicContact SD-CB 4.46Å; W185-E206 HydrophobicContact CZ2-CB 3.95Å; W185-E206 HydrophobicContact CZ2-CG 3.93Å; W185-E206 PolarHBondContact NE1-OE1 3Å; W185-E206 PolarHBondContact NE1-OE2 2.7Å; W185-E206 VanDerWaalsContact NE1-OE2 3.08Å; K201-E206 IonicContact NZ-OE1 3.84Å; K201-E206 PolarHBondContact NZ-OE1 3.17Å; E202-E206 VanDerWaalsContact O-CG 3.22Å; E202-E206 WeakPolarHBondContact O-CG 3.37Å; E202-E206 PolarHBondContact O-N 3.47Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 IonicContact OE1-NH2 2.75Å; E206-R209 IonicContact OE2-CZ 2.9Å; E206-R209 IonicContact OE2-NE 3.57Å; E206-R209 IonicContact OE2-NH2 2.97Å; E206-R209 PolarHBondContact OE2-NH2 2.88Å; E206-L210 WeakPolarHBondContact O-CB 3.26Å; E206-L210 PolarHBondContact O-N 3.49Å
207	F	97.8	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-73.4	-31.6	178.9	-66.4	-41.8	0	0	0	113.9	M203 N204 E205 L210 T211 L334 A335 T338 V477 I481	M203-F207 HydrophobicContact CB-CD2 4.34Å; M203-F207 HydrophobicContact CB-CE2 4.1Å; M203-F207 HydrophobicContact CE-CD2 4.46Å; M203-F207 HydrophobicContact CE-CE1 3.99Å; M203-F207 HydrophobicContact CE-CE2 3.57Å; M203-F207 HydrophobicContact CE-CZ 3.29Å; M203-F207 WeakPolarHBondContact O-CB 3.4Å; M203-F207 WeakPolarHBondContact O-CD2 3.5Å; M203-F207 VanDerWaalsContact O-CG 3.25Å; M203-F207 WeakPolarHBondContact O-CG 3.35Å; M203-F207 PolarHBondContact O-N 3.38Å; N204-F207 PolarHBondContact O-N 2.87Å; E205-F207 PolarHBondContact O-N 3.45Å; F207-L210 HydrophobicContact CD1-CD2 4.42Å; F207-T211 WeakPolarHBondContact O-CB 3.42Å; F207-T211 VanDerWaalsContact O-CG2 3.29Å; F207-T211 WeakPolarHBondContact O-CG2 3.47Å; F207-T211 PolarHBondContact O-N 3.49Å; F207-T211 PolarHBondContact O-OG1 3.38Å; F207-L334 HydrophobicContact CB-CB 4.15Å; F207-L334 HydrophobicContact CB-CD1 4.39Å; F207-L334 HydrophobicContact CD1-CB 3.86Å; F207-L334 HydrophobicContact CD1-CD1 3.85Å; F207-L334 HydrophobicContact CD1-CG 4.41Å; F207-L334 HydrophobicContact CD2-CB 3.51Å; F207-L334 HydrophobicContact CE1-CB 4.06Å; F207-L334 HydrophobicContact CE1-CD1 4.32Å; F207-L334 VanDerWaalsContact CE2-C 3.41Å; F207-L334 HydrophobicContact CE2-CB 3.72Å; F207-L334 WeakPolarHBondContact CE2-O 2.95Å; F207-L334 HydrophobicContact CG-CB 3.58Å; F207-L334 HydrophobicContact CG-CD1 4.16Å; F207-L334 HydrophobicContact CZ-CB 3.99Å; F207-A335 HydrophobicContact CD2-CB 4.12Å; F207-A335 VanDerWaalsContact CD2-N 3.33Å; F207-T338 VanDerWaalsContact CE2-OG1 3.29Å; F207-T338 WeakPolarHBondContact CE2-OG1 3.44Å; F207-T338 WeakPolarHBondContact CZ-OG1 3.46Å; F207-V477 HydrophobicContact CD1-CG1 4.39Å; F207-V477 HydrophobicContact CE1-CG1 3.86Å; F207-I481 HydrophobicContact CE1-CD1 3.77Å; F207-I481 HydrophobicContact CZ-CD1 4.03Å
208	Q	94.4	Very high	94.4	Very high	49 Å²	49	34.3 Å²	34.3	23%	0.229	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-49.2	169.8	-76.8	179.5	23.1	0	0	110.3	N204 E205 L210 T211 A212 H327	N204-Q208 WeakPolarHBondContact O-CB 3.46Å; N204-Q208 VanDerWaalsContact O-CG 3.31Å; N204-Q208 WeakPolarHBondContact O-CG 3.17Å; N204-Q208 PolarHBondContact O-N 3.25Å; N204-Q208 PolarHBondContact OD1-NE2 3.37Å; E205-Q208 PolarHBondContact O-N 3.36Å; Q208-L210 PolarHBondContact O-N 2.97Å; Q208-T211 PolarHBondContact O-OG1 2.98Å; Q208-A212 WeakPolarHBondContact O-CB 3.3Å; Q208-A212 PolarHBondContact O-N 3.14Å; Q208-H327 WeakPolarHBondContact CA-NE2 3.44Å; Q208-H327 PolarHBondContact O-CD2 2.95Å; Q208-H327 PolarHBondContact O-NE2 2.84Å
209	R	93.7	Very high	94.2	Very high	89 Å²	89	29.7 Å²	29.7	34%	0.336	14%	0.144	S	C	.	.	H	α-helix	trans	-59.4	-49.2	177	-177.5	175	62.3	150.6	4	111.9	E184 E205 E206 A212 D213	E184-R209 IonicContact OE1-NH1 2.74Å; E184-R209 IonicContact OE2-CZ 3.52Å; E184-R209 VanDerWaalsContact OE2-CZ 3.22Å; E184-R209 IonicContact OE2-NH1 2.77Å; E184-R209 PolarHBondContact OE2-NH1 3.2Å; E184-R209 IonicContact OE2-NH2 3.55Å; E184-R209 PolarHBondContact OE2-NH2 2.82Å; E205-R209 WeakPolarHBondContact O-CB 3.26Å; E205-R209 PolarHBondContact O-N 3.27Å; E206-R209 PolarHBondContact O-N 3.36Å; E206-R209 IonicContact OE1-NH2 2.75Å; E206-R209 IonicContact OE2-CZ 2.9Å; E206-R209 IonicContact OE2-NE 3.57Å; E206-R209 IonicContact OE2-NH2 2.97Å; E206-R209 PolarHBondContact OE2-NH2 2.88Å; R209-A212 WeakPolarHBondContact O-CB 3.4Å; R209-A212 PolarHBondContact O-N 3.4Å; R209-D213 PolarHBondContact O-N 2.72Å
210	L	95.3	Very high	93.9	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-51.9	-178.1	176.7	61.9	0	0	0	112.4	C177 M181 E206 F207 Q208 A212 D213 I214 V477	C177-L210 HydrophobicContact CB-CD1 3.91Å; M181-L210 HydrophobicContact CE-CD2 3.87Å; M181-L210 HydrophobicContact SD-CB 4.03Å; M181-L210 HydrophobicContact SD-CD2 3.83Å; M181-L210 HydrophobicContact SD-CG 4.35Å; E206-L210 WeakPolarHBondContact O-CB 3.26Å; E206-L210 PolarHBondContact O-N 3.49Å; F207-L210 HydrophobicContact CD1-CD2 4.42Å; Q208-L210 PolarHBondContact O-N 2.97Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.15Å; L210-D213 PolarHBondContact O-N 3.37Å; L210-I214 HydrophobicContact CD1-CD1 3.92Å; L210-I214 HydrophobicContact CD1-CG1 4.2Å; L210-I214 HydrophobicContact CG-CD1 3.86Å; L210-I214 HydrophobicContact CG-CG1 4.48Å; L210-I214 WeakPolarHBondContact O-CG1 3.46Å; L210-I214 PolarHBondContact O-N 3.23Å; L210-V477 HydrophobicContact CD2-CB 4.31Å; L210-V477 HydrophobicContact CD2-CG1 3.66Å; L210-V477 HydrophobicContact CD2-CG2 3.61Å
211	T	95.1	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-26.8	-176.5	57.3	0	0	0	0	111.9	F207 Q208 I215 H327 T330 S331 L334 E473	F207-T211 WeakPolarHBondContact O-CB 3.42Å; F207-T211 VanDerWaalsContact O-CG2 3.29Å; F207-T211 WeakPolarHBondContact O-CG2 3.47Å; F207-T211 PolarHBondContact O-N 3.49Å; F207-T211 PolarHBondContact O-OG1 3.38Å; Q208-T211 PolarHBondContact O-OG1 2.98Å; T211-I215 WeakPolarHBondContact O-CG2 3.34Å; T211-I215 PolarHBondContact O-N 3.13Å; T211-H327 PolarHBondContact OG1-CD2 3.36Å; T211-H327 PolarHBondContact OG1-O 2.92Å; T211-T330 HydrophobicContact CG2-CG2 4.03Å; T211-S331 WeakPolarHBondContact OG1-CB 3.21Å; T211-L334 HydrophobicContact CG2-CD1 3.83Å; T211-E473 WeakPolarHBondContact CG2-OE1 3.48Å
212	A	92.7	Very high	91.8	Very high	10 Å²	10	26.5 Å²	26.5	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-46.7	171.2	0	0	0	0	0	110.9	Q208 R209 L210 A216 F231 H327	Q208-A212 WeakPolarHBondContact O-CB 3.3Å; Q208-A212 PolarHBondContact O-N 3.14Å; R209-A212 WeakPolarHBondContact O-CB 3.4Å; R209-A212 PolarHBondContact O-N 3.4Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.15Å; A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 2.89Å; A212-F231 VanDerWaalsContact CA-CZ 3.47Å; A212-F231 HydrophobicContact CB-CD1 4.26Å; A212-F231 HydrophobicContact CB-CD2 3.79Å; A212-F231 HydrophobicContact CB-CE1 4.01Å; A212-F231 HydrophobicContact CB-CE2 3.53Å; A212-F231 HydrophobicContact CB-CG 4.16Å; A212-F231 HydrophobicContact CB-CZ 3.63Å; A212-F231 WeakPolarHBondContact O-CE2 3.39Å; A212-F231 VanDerWaalsContact O-CZ 3.27Å; A212-F231 WeakPolarHBondContact O-CZ 3.32Å; A212-H327 PolarHBondContact N-CD2 3.47Å
213	D	91.4	Very high	90	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-41.7	177.3	-75.9	-9.3	0	0	0	112	R209 L210 T217 Y224	R209-D213 PolarHBondContact O-N 2.72Å; L210-D213 PolarHBondContact O-N 3.37Å; D213-T217 VanDerWaalsContact O-CB 3.27Å; D213-T217 WeakPolarHBondContact O-CB 3.43Å; D213-T217 PolarHBondContact O-N 3.19Å; D213-T217 PolarHBondContact O-OG1 3.12Å; D213-Y224 WeakPolarHBondContact OD1-CE2 3.15Å
214	I	93.5	Very high	88.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-56	177.3	-70.2	173.6	0	0	0	109.9	M174 C177 L210 A216 T217 S218 F469 E473 V477	M174-I214 HydrophobicContact CB-CD1 4.35Å; M174-I214 HydrophobicContact CE-CG2 4.42Å; M174-I214 HydrophobicContact CG-CD1 4.32Å; M174-I214 HydrophobicContact CG-CG2 3.67Å; C177-I214 HydrophobicContact CB-CD1 4.44Å; C177-I214 HydrophobicContact CB-CG1 3.62Å; L210-I214 HydrophobicContact CD1-CD1 3.92Å; L210-I214 HydrophobicContact CD1-CG1 4.2Å; L210-I214 HydrophobicContact CG-CD1 3.86Å; L210-I214 HydrophobicContact CG-CG1 4.48Å; L210-I214 WeakPolarHBondContact O-CG1 3.46Å; L210-I214 PolarHBondContact O-N 3.23Å; I214-A216 PolarHBondContact O-N 3.04Å; I214-T217 PolarHBondContact O-N 2.86Å; I214-S218 VanDerWaalsContact O-CB 3.25Å; I214-S218 WeakPolarHBondContact O-CB 3.43Å; I214-S218 PolarHBondContact O-N 3.38Å; I214-S218 PolarHBondContact O-OG 3.45Å; I214-F469 HydrophobicContact CG2-CZ 3.98Å; I214-E473 HydrophobicContact CD1-CG 3.98Å; I214-E473 WeakPolarHBondContact CD1-OE1 3.29Å; I214-E473 HydrophobicContact CG2-CG 4.4Å; I214-E473 WeakPolarHBondContact CG2-OE1 3.42Å; I214-V477 HydrophobicContact CD1-CG2 4.34Å
215	I	92	Very high	87.5	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.046	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-37.5	-176	-165.3	67	0	0	0	111.9	T211 T217 A219 F220 F231 F323 H327 F469	T211-I215 WeakPolarHBondContact O-CG2 3.34Å; T211-I215 PolarHBondContact O-N 3.13Å; I215-T217 VanDerWaalsContact C-N 3.3Å; I215-T217 PolarHBondContact O-N 3.17Å; I215-A219 HydrophobicContact CD1-CB 3.72Å; I215-A219 HydrophobicContact CG1-CB 4.17Å; I215-A219 VanDerWaalsContact O-CB 3.26Å; I215-A219 WeakPolarHBondContact O-CB 3.47Å; I215-A219 PolarHBondContact O-N 3.31Å; I215-F220 HydrophobicContact CG1-CE2 4.28Å; I215-F220 WeakPolarHBondContact O-CD2 3.35Å; I215-F231 HydrophobicContact CG2-CE1 3.92Å; I215-F231 HydrophobicContact CG2-CZ 3.53Å; I215-F323 HydrophobicContact CG2-CD1 4.44Å; I215-H327 HydrophobicContact CG2-CB 4.19Å; I215-F469 HydrophobicContact CD1-CE1 4.17Å; I215-F469 HydrophobicContact CD1-CZ 3.93Å
216	A	91	Very high	86.8	Confident	6 Å²	6	34.3 Å²	34.3	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-40.6	176.4	0	0	0	0	0	111.8	A212 I214 F220 G221 S222 F231 F323	A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 2.89Å; I214-A216 PolarHBondContact O-N 3.04Å; A216-F220 CarbonylContact O-C 3.53Å; A216-F220 WeakPolarHBondContact O-CB 3.15Å; A216-F220 PolarHBondContact O-N 2.98Å; A216-G221 PolarHBondContact O-N 3.43Å; A216-S222 PolarHBondContact O-N 3.31Å; A216-S222 PolarHBondContact O-OG 3.24Å; A216-S222 VanDerWaalsContact O-OG 3.14Å; A216-F231 HydrophobicContact CB-CE2 4.17Å; A216-F231 HydrophobicContact CB-CZ 4.44Å; A216-F323 HydrophobicContact CB-CE1 4.2Å
217	T	89.9	Confident	86.3	Confident	63 Å²	63	33.2 Å²	33.2	39%	0.387	18%	0.184	S	C	.	.	H	α-helix	trans	-80.8	-47	-178.3	-50.9	0	0	0	0	111.5	V173 D213 I214 I215 G221	V173-T217 HydrophobicContact CG1-CG2 3.47Å; V173-T217 VanDerWaalsContact CG1-CG2 3.47Å; V173-T217 HydrophobicContact CG2-CG2 4.37Å; D213-T217 VanDerWaalsContact O-CB 3.27Å; D213-T217 WeakPolarHBondContact O-CB 3.43Å; D213-T217 PolarHBondContact O-N 3.19Å; D213-T217 PolarHBondContact O-OG1 3.12Å; I214-T217 PolarHBondContact O-N 2.86Å; I215-T217 VanDerWaalsContact C-N 3.3Å; I215-T217 PolarHBondContact O-N 3.17Å; T217-G221 VanDerWaalsContact O-CA 3.3Å; T217-G221 WeakPolarHBondContact O-CA 3.45Å; T217-G221 PolarHBondContact O-N 2.97Å; T217-G221 VanDerWaalsContact O-N 3.16Å
218	S	89.9	Confident	85.7	Confident	6 Å²	6	35 Å²	35	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-77.7	-33.7	-171.9	77.1	0	0	0	0	113.4	I214	I214-S218 VanDerWaalsContact O-CB 3.25Å; I214-S218 WeakPolarHBondContact O-CB 3.43Å; I214-S218 PolarHBondContact O-N 3.38Å; I214-S218 PolarHBondContact O-OG 3.45Å
219	A	88	Confident	85.5	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-98.9	-31.6	-176.4	0	0	0	0	0	113	I215 L293 L294	I215-A219 HydrophobicContact CD1-CB 3.72Å; I215-A219 HydrophobicContact CG1-CB 4.17Å; I215-A219 VanDerWaalsContact O-CB 3.26Å; I215-A219 WeakPolarHBondContact O-CB 3.47Å; I215-A219 PolarHBondContact O-N 3.31Å; A219-L293 HydrophobicContact CB-CB 3.88Å; A219-L293 HydrophobicContact CB-CD2 4.01Å; A219-L293 WeakPolarHBondContact O-CB 3.48Å; A219-L293 PolarHBondContact O-N 3.16Å; A219-L294 PolarHBondContact O-N 3.21Å
220	F	87.8	Confident	85.5	Confident	1 Å²	1	30 Å²	30	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-118	-9.5	-172.8	-55.4	-77.7	0	0	0	114.1	I215 A216 S222 I278 R282 L293 L294 C319 F322 F323	I215-F220 HydrophobicContact CG1-CE2 4.28Å; I215-F220 WeakPolarHBondContact O-CD2 3.35Å; A216-F220 CarbonylContact O-C 3.53Å; A216-F220 WeakPolarHBondContact O-CB 3.15Å; A216-F220 PolarHBondContact O-N 2.98Å; F220-S222 PolarHBondContact O-N 2.91Å; F220-I278 HydrophobicContact CB-CG2 4.49Å; F220-R282 PolarHBondContact O-NH2 2.99Å; F220-L293 HydrophobicContact CE1-CD2 4.48Å; F220-L293 HydrophobicContact CZ-CD2 4.33Å; F220-L294 HydrophobicContact CD1-CB 4.12Å; F220-C319 HydrophobicContact CE1-CB 3.78Å; F220-C319 VanDerWaalsContact CE1-SG 3.58Å; F220-C319 HydrophobicContact CZ-CB 4.3Å; F220-F322 HydrophobicContact CZ-CB 4.02Å; F220-F323 HydrophobicContact CB-CZ 4.19Å; F220-F323 AromaticContact CD1-CE2 3.87Å; F220-F323 HydrophobicContact CD1-CE2 3.87Å; F220-F323 HydrophobicContact CD1-CZ 4.2Å; F220-F323 HydrophobicContact CD2-CD1 4.1Å; F220-F323 HydrophobicContact CD2-CD2 4.11Å; F220-F323 AromaticContact CD2-CE1 3.55Å; F220-F323 HydrophobicContact CD2-CE1 3.55Å; F220-F323 AromaticContact CD2-CE2 3.54Å; F220-F323 HydrophobicContact CD2-CE2 3.54Å; F220-F323 HydrophobicContact CD2-CG 4.36Å; F220-F323 AromaticContact CD2-CZ 3.23Å; F220-F323 HydrophobicContact CD2-CZ 3.23Å; F220-F323 HydrophobicContact CE1-CD2 4.09Å; F220-F323 AromaticContact CE1-CE2 3.79Å; F220-F323 HydrophobicContact CE1-CE2 3.79Å; F220-F323 HydrophobicContact CE1-CZ 4.45Å; F220-F323 AromaticContact CE2-CD1 3.73Å; F220-F323 HydrophobicContact CE2-CD1 3.73Å; F220-F323 AromaticContact CE2-CD2 3.5Å; F220-F323 HydrophobicContact CE2-CD2 3.5Å; F220-F323 AromaticContact CE2-CE1 3.67Å; F220-F323 HydrophobicContact CE2-CE1 3.67Å; F220-F323 AromaticContact CE2-CE2 3.42Å; F220-F323 HydrophobicContact CE2-CE2 3.42Å; F220-F323 VanDerWaalsContact CE2-CE2 3.42Å; F220-F323 AromaticContact CE2-CG 3.65Å; F220-F323 HydrophobicContact CE2-CG 3.65Å; F220-F323 AromaticContact CE2-CZ 3.52Å; F220-F323 HydrophobicContact CE2-CZ 3.52Å; F220-F323 HydrophobicContact CG-CE1 4.35Å; F220-F323 AromaticContact CG-CE2 3.75Å; F220-F323 HydrophobicContact CG-CE2 3.75Å; F220-F323 AromaticContact CG-CZ 3.6Å; F220-F323 HydrophobicContact CG-CZ 3.6Å; F220-F323 AromaticContact CZ-CD2 3.48Å; F220-F323 HydrophobicContact CZ-CD2 3.48Å; F220-F323 VanDerWaalsContact CZ-CD2 3.48Å; F220-F323 AromaticContact CZ-CE2 3.55Å; F220-F323 HydrophobicContact CZ-CE2 3.55Å; F220-F323 AromaticContact CZ-CG 3.99Å; F220-F323 HydrophobicContact CZ-CG 3.99Å; F220-F323 HydrophobicContact CZ-CZ 4.13Å
221	G	80.8	Confident	85.3	Confident	40 Å²	40	30.8 Å²	30.8	41%	0.412	18%	0.177	S	C	.	.			trans	44.4	37.1	-172.9	0	0	0	0	0	112.4	A216 T217 R282	A216-G221 PolarHBondContact O-N 3.43Å; T217-G221 VanDerWaalsContact O-CA 3.3Å; T217-G221 WeakPolarHBondContact O-CA 3.45Å; T217-G221 PolarHBondContact O-N 2.97Å; T217-G221 VanDerWaalsContact O-N 3.16Å; G221-R282 VanDerWaalsContact CA-NH2 3.33Å
222	S	69	Low	85.2	Confident	22 Å²	22	38.1 Å²	38.1	15%	0.154	20%	0.204	C	C	.	.			trans	-89.4	159.3	-164	60.7	0	0	0	0	112.8	A216 F220 Y224	A216-S222 PolarHBondContact O-N 3.31Å; A216-S222 PolarHBondContact O-OG 3.24Å; A216-S222 VanDerWaalsContact O-OG 3.14Å; F220-S222 PolarHBondContact O-N 2.91Å; S222-Y224 PolarHBondContact O-N 2.98Å
223	S	59.9	Low	85.4	Confident	65 Å²	65	37.7 Å²	37.7	46%	0.455	20%	0.201	S	C	.	.			trans	-60.5	130.8	162.1	150.8	0	0	0	0	110	V225 E226 G227	S223-V225 PolarHBondContact O-N 2.85Å; S223-V225 PolarHBondContact OG-N 2.76Å; S223-E226 WeakPolarHBondContact CB-OE2 3.47Å; S223-E226 PolarHBondContact O-N 3.04Å; S223-E226 PolarHBondContact OG-OE2 3.41Å; S223-G227 PolarHBondContact O-N 2.89Å
224	Y	66.6	Low	85.6	Confident	139 Å²	139	35.8 Å²	35.8	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-46.2	-37.1	177.9	179.6	-109.4	0	0	0	112.8	D213 S222 I228	D213-Y224 WeakPolarHBondContact OD1-CE2 3.15Å; S222-Y224 PolarHBondContact O-N 2.98Å; Y224-I228 HydrophobicContact CD1-CD1 3.55Å; Y224-I228 HydrophobicContact CD2-CD1 4.04Å; Y224-I228 HydrophobicContact CE1-CD1 3.25Å; Y224-I228 HydrophobicContact CE2-CD1 3.77Å; Y224-I228 HydrophobicContact CE2-CG1 4.48Å; Y224-I228 HydrophobicContact CG-CD1 3.95Å; Y224-I228 WeakPolarHBondContact O-CD1 3.37Å; Y224-I228 VanDerWaalsContact O-CG1 3.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.43Å; Y224-I228 PolarHBondContact O-N 2.76Å; Y224-I228 VanDerWaalsContact O-N 3.1Å
225	V	75	Confident	85.6	Confident	99 Å²	99	37.7 Å²	37.7	60%	0.6	20%	0.2	S	C	*	.	H	α-helix	trans	-67.6	-49.3	-175.3	-179.4	0	0	0	0	112.4	S223 I228 E229	S223-V225 PolarHBondContact O-N 2.85Å; S223-V225 PolarHBondContact OG-N 2.76Å; V225-I228 PolarHBondContact O-N 3.05Å; V225-E229 PolarHBondContact O-N 2.74Å
226	E	82.3	Confident	85.7	Confident	45 Å²	45	40.2 Å²	40.2	21%	0.21	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-39.4	-179.1	-73.6	71.8	-167	0	0	111.3	S223 E229 V230 R277 I278	S223-E226 WeakPolarHBondContact CB-OE2 3.47Å; S223-E226 PolarHBondContact O-N 3.04Å; S223-E226 PolarHBondContact OG-OE2 3.41Å; E226-E229 PolarHBondContact O-N 3.17Å; E226-V230 WeakPolarHBondContact O-CG2 3.41Å; E226-V230 PolarHBondContact O-N 3.44Å; E226-V230 VanDerWaalsContact O-N 3.11Å; E226-R277 HydrophobicContact CG-CB 4.31Å; E226-I278 HydrophobicContact CB-CD1 3.8Å; E226-I278 HydrophobicContact CB-CG1 3.57Å; E226-I278 HydrophobicContact CG-CG1 4.15Å
227	G	85.6	Confident	86	Confident	1 Å²	1	40 Å²	40	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-50.3	174.9	0	0	0	0	0	111.4	S223 E229 V230 F231	S223-G227 PolarHBondContact O-N 2.89Å; G227-E229 VanDerWaalsContact C-N 3.27Å; G227-E229 PolarHBondContact O-N 3.39Å; G227-V230 WeakPolarHBondContact O-CB 3.44Å; G227-V230 PolarHBondContact O-N 3.19Å; G227-F231 VanDerWaalsContact C-CD2 3.47Å; G227-F231 WeakPolarHBondContact O-CD2 3.33Å; G227-F231 PolarHBondContact O-N 2.9Å
228	I	86.3	Confident	86.2	Confident	36 Å²	36	37.1 Å²	37.1	19%	0.185	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-41.5	177.2	-73.4	167.9	0	0	0	112.3	Y224 V225 V230 F231 R232	Y224-I228 HydrophobicContact CD1-CD1 3.55Å; Y224-I228 HydrophobicContact CD2-CD1 4.04Å; Y224-I228 HydrophobicContact CE1-CD1 3.25Å; Y224-I228 HydrophobicContact CE2-CD1 3.77Å; Y224-I228 HydrophobicContact CE2-CG1 4.48Å; Y224-I228 HydrophobicContact CG-CD1 3.95Å; Y224-I228 WeakPolarHBondContact O-CD1 3.37Å; Y224-I228 VanDerWaalsContact O-CG1 3.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.43Å; Y224-I228 PolarHBondContact O-N 2.76Å; Y224-I228 VanDerWaalsContact O-N 3.1Å; V225-I228 PolarHBondContact O-N 3.05Å; I228-V230 VanDerWaalsContact C-N 3.31Å; I228-V230 PolarHBondContact O-N 2.98Å; I228-F231 PolarHBondContact O-N 3.36Å; I228-R232 HydrophobicContact CG2-CG 4.24Å; I228-R232 VanDerWaalsContact CG2-CZ 3.42Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 WeakPolarHBondContact O-CG 3.38Å; I228-R232 PolarHBondContact O-N 3.18Å
229	E	90.9	Very high	86.4	Confident	34 Å²	34	44.8 Å²	44.8	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-34.9	-179.8	-169.9	54.8	-108.2	0	0	112.3	V225 E226 G227 S233 K270 S274	V225-E229 PolarHBondContact O-N 2.74Å; E226-E229 PolarHBondContact O-N 3.17Å; G227-E229 VanDerWaalsContact C-N 3.27Å; G227-E229 PolarHBondContact O-N 3.39Å; E229-S233 WeakPolarHBondContact O-CB 3.09Å; E229-S233 PolarHBondContact O-N 2.96Å; E229-S233 VanDerWaalsContact O-N 3.11Å; E229-S233 PolarHBondContact O-OG 3.22Å; E229-S233 PolarHBondContact OE1-OG 3.09Å; E229-K270 HydrophobicContact CG-CD 4.42Å; E229-K270 HydrophobicContact CG-CG 4.25Å; E229-K270 WeakPolarHBondContact OE1-CD 3.45Å; E229-K270 WeakPolarHBondContact OE1-CE 3.38Å; E229-K270 IonicContact OE1-NZ 3.66Å; E229-K270 PolarHBondContact OE1-NZ 3.45Å; E229-K270 VanDerWaalsContact OE2-CE 3.25Å; E229-K270 WeakPolarHBondContact OE2-CE 3.29Å; E229-K270 IonicContact OE2-NZ 2.79Å; E229-K270 PolarHBondContact OE2-NZ 3.3Å; E229-S274 VanDerWaalsContact CG-OG 3.28Å; E229-S274 WeakPolarHBondContact CG-OG 3.3Å
230	V	93.4	Very high	86.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-51.1	170.8	175.1	0	0	0	0	110.1	E226 G227 I228 R232 S233 Q234 M271 I275 F323	E226-V230 WeakPolarHBondContact O-CG2 3.41Å; E226-V230 PolarHBondContact O-N 3.44Å; E226-V230 VanDerWaalsContact O-N 3.11Å; G227-V230 WeakPolarHBondContact O-CB 3.44Å; G227-V230 PolarHBondContact O-N 3.19Å; I228-V230 VanDerWaalsContact C-N 3.31Å; I228-V230 PolarHBondContact O-N 2.98Å; V230-R232 PolarHBondContact O-N 3.36Å; V230-S233 PolarHBondContact O-N 3.14Å; V230-Q234 HydrophobicContact CG1-CG 4.38Å; V230-Q234 WeakPolarHBondContact O-CG 3.46Å; V230-Q234 PolarHBondContact O-N 2.9Å; V230-M271 HydrophobicContact CG1-CG 4.14Å; V230-M271 HydrophobicContact CG1-SD 4.42Å; V230-I275 HydrophobicContact CG1-CD1 4.45Å; V230-I275 HydrophobicContact CG1-CG1 4.48Å; V230-I275 HydrophobicContact CG2-CD1 4.45Å; V230-I275 HydrophobicContact CG2-CG1 3.68Å; V230-F323 HydrophobicContact CG1-CB 3.93Å; V230-F323 HydrophobicContact CG1-CD1 4.18Å; V230-F323 HydrophobicContact CG1-CD2 3.73Å; V230-F323 HydrophobicContact CG1-CE2 4.27Å; V230-F323 HydrophobicContact CG1-CG 3.69Å; V230-F323 HydrophobicContact CG2-CE2 4.49Å
231	F	91.4	Very high	87.1	Confident	22 Å²	22	47.8 Å²	47.8	10%	0.096	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-45	-179.3	-65.9	-63.2	0	0	0	113.1	A212 I215 A216 G227 I228 S233 Q234 M235 F323 H327	A212-F231 VanDerWaalsContact CA-CZ 3.47Å; A212-F231 HydrophobicContact CB-CD1 4.26Å; A212-F231 HydrophobicContact CB-CD2 3.79Å; A212-F231 HydrophobicContact CB-CE1 4.01Å; A212-F231 HydrophobicContact CB-CE2 3.53Å; A212-F231 HydrophobicContact CB-CG 4.16Å; A212-F231 HydrophobicContact CB-CZ 3.63Å; A212-F231 WeakPolarHBondContact O-CE2 3.39Å; A212-F231 VanDerWaalsContact O-CZ 3.27Å; A212-F231 WeakPolarHBondContact O-CZ 3.32Å; I215-F231 HydrophobicContact CG2-CE1 3.92Å; I215-F231 HydrophobicContact CG2-CZ 3.53Å; A216-F231 HydrophobicContact CB-CE2 4.17Å; A216-F231 HydrophobicContact CB-CZ 4.44Å; G227-F231 VanDerWaalsContact C-CD2 3.47Å; G227-F231 WeakPolarHBondContact O-CD2 3.33Å; G227-F231 PolarHBondContact O-N 2.9Å; I228-F231 PolarHBondContact O-N 3.36Å; F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 3.37Å; F231-Q234 PolarHBondContact O-N 3.22Å; F231-M235 WeakPolarHBondContact O-CB 3.31Å; F231-M235 PolarHBondContact O-N 2.81Å; F231-F323 HydrophobicContact CD1-CD1 4.46Å; F231-F323 HydrophobicContact CE1-CB 4.42Å; F231-F323 AromaticContact CE1-CD1 3.68Å; F231-F323 HydrophobicContact CE1-CD1 3.68Å; F231-F323 HydrophobicContact CE1-CE1 4.48Å; F231-F323 HydrophobicContact CE2-CD1 4.07Å; F231-F323 HydrophobicContact CE2-CE1 4.09Å; F231-F323 AromaticContact CZ-CD1 3.44Å; F231-F323 HydrophobicContact CZ-CD1 3.44Å; F231-F323 VanDerWaalsContact CZ-CD1 3.44Å; F231-F323 AromaticContact CZ-CE1 3.83Å; F231-F323 HydrophobicContact CZ-CE1 3.83Å; F231-H327 HydrophobicContact CD1-CB 4.33Å; F231-H327 AromaticContact CD1-ND1 3.98Å; F231-H327 HydrophobicContact CE1-CB 3.71Å; F231-H327 AromaticContact CE1-CG 3.88Å
232	R	93	Very high	87.7	Confident	154 Å²	154	47.1 Å²	47.1	58%	0.581	22%	0.221	S	C	*	.	H	α-helix	trans	-58.3	-46.9	176.5	-75.1	177.3	178.4	159.5	0.9	111.2	I228 V230 Q234 M235 E236	I228-R232 HydrophobicContact CG2-CG 4.24Å; I228-R232 VanDerWaalsContact CG2-CZ 3.42Å; I228-R232 WeakPolarHBondContact O-CB 3.39Å; I228-R232 WeakPolarHBondContact O-CG 3.38Å; I228-R232 PolarHBondContact O-N 3.18Å; V230-R232 PolarHBondContact O-N 3.36Å; R232-Q234 VanDerWaalsContact C-N 3.33Å; R232-Q234 PolarHBondContact O-N 3.01Å; R232-M235 PolarHBondContact O-N 3.4Å; R232-E236 PolarHBondContact O-N 2.86Å; R232-E236 VanDerWaalsContact O-N 3.12Å
233	S	95.7	Very high	88.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.6	-61.4	0	0	0	0	111.8	E229 V230 F231 L237	E229-S233 WeakPolarHBondContact O-CB 3.09Å; E229-S233 PolarHBondContact O-N 2.96Å; E229-S233 VanDerWaalsContact O-N 3.11Å; E229-S233 PolarHBondContact O-OG 3.22Å; E229-S233 PolarHBondContact OE1-OG 3.09Å; V230-S233 PolarHBondContact O-N 3.14Å; F231-S233 VanDerWaalsContact C-N 3.33Å; F231-S233 PolarHBondContact O-N 3.37Å; S233-L237 WeakPolarHBondContact O-CB 3.46Å; S233-L237 WeakPolarHBondContact O-CG 3.49Å; S233-L237 PolarHBondContact O-N 2.92Å
234	Q	95.1	Very high	90.1	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-42.1	176.4	-74.4	-169.8	-39.9	0	0	112.8	L137 V230 F231 R232 E236 L237 K238 M271 R320	L137-Q234 HydrophobicContact CD1-CB 3.86Å; L137-Q234 HydrophobicContact CD1-CG 4.11Å; L137-Q234 WeakPolarHBondContact CD1-O 3.09Å; L137-Q234 PolarHBondContact O-NE2 3.24Å; V230-Q234 HydrophobicContact CG1-CG 4.38Å; V230-Q234 WeakPolarHBondContact O-CG 3.46Å; V230-Q234 PolarHBondContact O-N 2.9Å; F231-Q234 PolarHBondContact O-N 3.22Å; R232-Q234 VanDerWaalsContact C-N 3.33Å; R232-Q234 PolarHBondContact O-N 3.01Å; Q234-E236 VanDerWaalsContact C-N 3.32Å; Q234-E236 PolarHBondContact O-N 3.47Å; Q234-L237 PolarHBondContact O-N 3.06Å; Q234-K238 WeakPolarHBondContact O-CB 3.2Å; Q234-K238 PolarHBondContact O-N 3.5Å; Q234-M271 HydrophobicContact CG-SD 3.43Å; Q234-M271 WeakPolarHBondContact CG-SD 3.3Å; Q234-R320 PolarHBondContact NE2-O 3.07Å
235	M	93.4	Very high	91.2	Very high	41 Å²	41	42.8 Å²	42.8	20%	0.202	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-39.8	178.6	-170.6	58.2	71.4	0	0	111.4	F231 R232 K238 R239	F231-M235 WeakPolarHBondContact O-CB 3.31Å; F231-M235 PolarHBondContact O-N 2.81Å; R232-M235 PolarHBondContact O-N 3.4Å; M235-K238 PolarHBondContact O-N 2.95Å; M235-K238 HydrophobicContact SD-CD 4.19Å; M235-R239 WeakPolarHBondContact O-CG 3.49Å; M235-R239 PolarHBondContact O-N 2.81Å
236	E	95.3	Very high	91.7	Very high	62 Å²	62	40 Å²	40	29%	0.29	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-42.2	173.1	-71.8	-164	-131.9	0	0	112.6	R232 Q234 K238 R239 C240 R263 L267	R232-E236 PolarHBondContact O-N 2.86Å; R232-E236 VanDerWaalsContact O-N 3.12Å; Q234-E236 VanDerWaalsContact C-N 3.32Å; Q234-E236 PolarHBondContact O-N 3.47Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 2.91Å; E236-R239 WeakPolarHBondContact O-CB 3.47Å; E236-R239 PolarHBondContact O-N 2.85Å; E236-C240 PolarHBondContact O-N 3.25Å; E236-C240 VanDerWaalsContact O-N 3.09Å; E236-R263 IonicContact OE2-CZ 2.73Å; E236-R263 IonicContact OE2-NE 2.9Å; E236-R263 PolarHBondContact OE2-NE 3.41Å; E236-R263 IonicContact OE2-NH2 2.7Å; E236-R263 PolarHBondContact OE2-NH2 3.22Å; E236-L267 HydrophobicContact CB-CD1 3.62Å; E236-L267 HydrophobicContact CB-CD2 3.8Å; E236-L267 HydrophobicContact CB-CG 4.36Å; E236-L267 HydrophobicContact CG-CD2 4.33Å
237	L	96.2	Very high	91.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-37.2	175	-78.2	169.1	0	0	0	112.2	K136 L137 S233 Q234 R239 C240 Y241 V264 L267 M271	K136-L237 HydrophobicContact CB-CD2 4.18Å; L137-L237 HydrophobicContact CB-CB 4.35Å; L137-L237 HydrophobicContact CD1-CB 3.85Å; S233-L237 WeakPolarHBondContact O-CB 3.46Å; S233-L237 WeakPolarHBondContact O-CG 3.49Å; S233-L237 PolarHBondContact O-N 2.92Å; Q234-L237 PolarHBondContact O-N 3.06Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 3.2Å; L237-C240 WeakPolarHBondContact O-CB 3.42Å; L237-C240 PolarHBondContact O-N 3.4Å; L237-Y241 WeakPolarHBondContact O-CB 3.08Å; L237-Y241 PolarHBondContact O-N 3.01Å; L237-V264 HydrophobicContact CD2-CB 4.37Å; L237-V264 HydrophobicContact CD2-CG1 3.91Å; L237-V264 HydrophobicContact CD2-CG2 4.42Å; L237-L267 HydrophobicContact CD1-CB 4.25Å; L237-L267 HydrophobicContact CD2-CB 3.9Å; L237-L267 HydrophobicContact CD2-CD1 4.19Å; L237-L267 HydrophobicContact CG-CB 3.82Å; L237-L267 HydrophobicContact CG-CD1 4.18Å; L237-M271 HydrophobicContact CD1-CE 3.69Å; L237-M271 HydrophobicContact CD1-SD 4.45Å
238	K	95.5	Very high	91.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-41.4	173.7	173.5	177.9	135	176.9	0	111.2	L137 Q234 M235 E236 Y241 T242 F324 E328 N501 V502	L137-K238 HydrophobicContact CD1-CB 4.4Å; L137-K238 HydrophobicContact CD2-CB 4.29Å; Q234-K238 WeakPolarHBondContact O-CB 3.2Å; Q234-K238 PolarHBondContact O-N 3.5Å; M235-K238 PolarHBondContact O-N 2.95Å; M235-K238 HydrophobicContact SD-CD 4.19Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 2.91Å; K238-Y241 PolarHBondContact O-N 3.46Å; K238-T242 WeakPolarHBondContact O-CB 3.39Å; K238-T242 PolarHBondContact O-N 3.04Å; K238-T242 PolarHBondContact O-OG1 3.45Å; K238-F324 HydrophobicContact CD-CE2 4.1Å; K238-F324 HydrophobicContact CD-CZ 4.45Å; K238-E328 IonicContact NZ-OE1 3.67Å; K238-E328 PolarHBondContact NZ-OE1 3.27Å; K238-E328 IonicContact NZ-OE2 2.7Å; K238-E328 PolarHBondContact NZ-OE2 2.98Å; K238-N501 WeakPolarHBondContact CE-O 3.37Å; K238-V502 HydrophobicContact CG-CB 4.34Å; K238-V502 HydrophobicContact CG-CG2 4Å
239	R	94	Very high	91.7	Very high	167 Å²	167	45 Å²	45	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-63.9	-42.8	174.7	-67.6	174.3	-175	-178	1	111.8	M235 E236 L237 T243	M235-R239 WeakPolarHBondContact O-CG 3.49Å; M235-R239 PolarHBondContact O-N 2.81Å; E236-R239 WeakPolarHBondContact O-CB 3.47Å; E236-R239 PolarHBondContact O-N 2.85Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 3.2Å; R239-T243 PolarHBondContact O-N 2.89Å; R239-T243 VanDerWaalsContact O-N 3.12Å; R239-T243 PolarHBondContact O-OG1 2.89Å
240	C	94.1	Very high	91.3	Very high	21 Å²	21	48.1 Å²	48.1	14%	0.142	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-47.1	173.6	-67.8	0	0	0	0	111.5	E133 E236 L237 T243 S244 V264	E133-C240 HydrophobicContact CG-CB 4.42Å; E236-C240 PolarHBondContact O-N 3.25Å; E236-C240 VanDerWaalsContact O-N 3.09Å; L237-C240 WeakPolarHBondContact O-CB 3.42Å; L237-C240 PolarHBondContact O-N 3.4Å; C240-T243 WeakPolarHBondContact O-CB 3.3Å; C240-T243 PolarHBondContact O-N 2.92Å; C240-S244 PolarHBondContact O-N 3.05Å; C240-S244 VanDerWaalsContact O-N 3.12Å; C240-V264 HydrophobicContact CB-CG2 3.91Å
241	Y	94.9	Very high	90.8	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.184	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-45.9	179.3	177.7	-149.3	0	0	0	112.3	R131 E133 A134 L137 L237 K238 T243 S244 L245 V502	R131-Y241 HydrophobicContact CB-CD2 4.15Å; R131-Y241 HydrophobicContact CB-CE2 3.87Å; R131-Y241 HydrophobicContact CG-CE2 4.03Å; E133-Y241 HydrophobicContact CB-CD2 4.34Å; E133-Y241 HydrophobicContact CB-CG 4.39Å; A134-Y241 HydrophobicContact CB-CD1 3.92Å; A134-Y241 HydrophobicContact CB-CD2 3.91Å; A134-Y241 HydrophobicContact CB-CE1 3.61Å; A134-Y241 HydrophobicContact CB-CE2 3.62Å; A134-Y241 HydrophobicContact CB-CG 4.08Å; A134-Y241 VanDerWaalsContact CB-CZ 3.46Å; L137-Y241 HydrophobicContact CD2-CD1 4.19Å; L237-Y241 WeakPolarHBondContact O-CB 3.08Å; L237-Y241 PolarHBondContact O-N 3.01Å; K238-Y241 PolarHBondContact O-N 3.46Å; Y241-T243 PolarHBondContact O-N 3.45Å; Y241-S244 PolarHBondContact O-N 3.05Å; Y241-S244 PolarHBondContact O-OG 3.49Å; Y241-S244 VanDerWaalsContact O-OG 3.1Å; Y241-L245 HydrophobicContact CD2-CD2 4.29Å; Y241-L245 HydrophobicContact CD2-CG 4.23Å; Y241-L245 HydrophobicContact CE2-CD2 3.42Å; Y241-L245 VanDerWaalsContact CE2-CD2 3.42Å; Y241-L245 HydrophobicContact CE2-CG 3.83Å; Y241-L245 PolarHBondContact O-N 3.31Å; Y241-L245 VanDerWaalsContact O-N 3.1Å; Y241-V502 HydrophobicContact CD1-CB 4.49Å; Y241-V502 HydrophobicContact CD1-CG1 4.27Å; Y241-V502 HydrophobicContact CD1-CG2 3.37Å; Y241-V502 HydrophobicContact CE1-CG1 4.02Å; Y241-V502 HydrophobicContact CE1-CG2 3.72Å; Y241-V502 HydrophobicContact CG-CG2 4.2Å
242	T	93.3	Very high	90.5	Very high	25 Å²	25	54.2 Å²	54.2	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-54.5	-41.9	175.9	-60.6	0	0	0	0	111.4	K238 S244 L245 N501	K238-T242 WeakPolarHBondContact O-CB 3.39Å; K238-T242 PolarHBondContact O-N 3.04Å; K238-T242 PolarHBondContact O-OG1 3.45Å; T242-S244 VanDerWaalsContact C-N 3.33Å; T242-S244 PolarHBondContact O-N 3.36Å; T242-L245 PolarHBondContact O-N 3.26Å; T242-N501 HydrophobicContact CG2-CB 4.07Å; T242-N501 VanDerWaalsContact CG2-OD1 3.31Å; T242-N501 WeakPolarHBondContact CG2-OD1 3.29Å
243	T	90.3	Very high	90.3	Very high	88 Å²	88	49.5 Å²	49.5	54%	0.54	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-35.6	177.7	-57.5	0	0	0	0	112	R239 C240 Y241 Q247	R239-T243 PolarHBondContact O-N 2.89Å; R239-T243 VanDerWaalsContact O-N 3.12Å; R239-T243 PolarHBondContact O-OG1 2.89Å; C240-T243 WeakPolarHBondContact O-CB 3.3Å; C240-T243 PolarHBondContact O-N 2.92Å; Y241-T243 PolarHBondContact O-N 3.45Å; T243-Q247 WeakPolarHBondContact O-CG 3.27Å
244	S	90.8	Very high	90	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-77.5	-21.3	-178.2	85.6	0	0	0	0	114	R131 E133 C240 Y241 T242 N246 Q247	R131-S244 PolarHBondContact NH1-O 2.93Å; R131-S244 VanDerWaalsContact NH1-O 3.12Å; E133-S244 WeakPolarHBondContact OE2-CB 3.35Å; E133-S244 PolarHBondContact OE2-OG 3.28Å; C240-S244 PolarHBondContact O-N 3.05Å; C240-S244 VanDerWaalsContact O-N 3.12Å; Y241-S244 PolarHBondContact O-N 3.05Å; Y241-S244 PolarHBondContact O-OG 3.49Å; Y241-S244 VanDerWaalsContact O-OG 3.1Å; T242-S244 VanDerWaalsContact C-N 3.33Å; T242-S244 PolarHBondContact O-N 3.36Å; S244-N246 PolarHBondContact O-N 3.33Å; S244-N246 VanDerWaalsContact O-N 3.16Å; S244-Q247 PolarHBondContact O-N 3.03Å; S244-Q247 VanDerWaalsContact O-N 3.07Å
245	L	89.2	Confident	89.9	Confident	44 Å²	44	59.4 Å²	59.4	23%	0.23	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.7	-179.2	-77.3	173.9	0	0	0	114	Y241 T242	Y241-L245 HydrophobicContact CD2-CD2 4.29Å; Y241-L245 HydrophobicContact CD2-CG 4.23Å; Y241-L245 HydrophobicContact CE2-CD2 3.42Å; Y241-L245 VanDerWaalsContact CE2-CD2 3.42Å; Y241-L245 HydrophobicContact CE2-CG 3.83Å; Y241-L245 PolarHBondContact O-N 3.31Å; Y241-L245 VanDerWaalsContact O-N 3.1Å; T242-L245 PolarHBondContact O-N 3.26Å
246	N	84.3	Confident	89.9	Confident	40 Å²	40	62 Å²	62	21%	0.214	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	18.5	-178.4	-59.5	-54.4	0	0	0	113.2	K59 S244	K59-N246 HydrophobicContact CB-CB 4.16Å; K59-N246 HydrophobicContact CG-CB 4.24Å; S244-N246 PolarHBondContact O-N 3.33Å; S244-N246 VanDerWaalsContact O-N 3.16Å
247	Q	86.3	Confident	89.9	Confident	91 Å²	91	63.6 Å²	63.6	43%	0.425	34%	0.339	S	S	.	.	S	Bend	trans	-114.2	155.1	179.3	-64	-177.6	-5.2	0	0	110.9	L55 R131 T243 S244 S249	L55-Q247 WeakPolarHBondContact CD1-O 3.49Å; R131-Q247 VanDerWaalsContact CZ-O 3.26Å; R131-Q247 PolarHBondContact NH1-O 3.49Å; R131-Q247 PolarHBondContact NH2-O 3.12Å; T243-Q247 WeakPolarHBondContact O-CG 3.27Å; S244-Q247 PolarHBondContact O-N 3.03Å; S244-Q247 VanDerWaalsContact O-N 3.07Å; Q247-S249 PolarHBondContact O-N 2.74Å
248	V	84.2	Confident	89.8	Confident	45 Å²	45	66.1 Å²	66.1	27%	0.273	36%	0.355	S	S	.	.			trans	-69.2	126.8	173.9	-179.6	0	0	0	0	108.8	Y52 L55 I250	Y52-V248 HydrophobicContact CD1-CG2 3.26Å; Y52-V248 HydrophobicContact CE1-CG2 3.73Å; Y52-V248 HydrophobicContact CG-CG2 4.04Å; L55-V248 HydrophobicContact CD1-CG2 4.01Å; V248-I250 HydrophobicContact CG1-CG1 3.99Å
249	S	83.5	Confident	89.7	Confident	52 Å²	52	71.5 Å²	71.5	36%	0.364	39%	0.39	S	S	.	.			trans	-87.5	111.9	169.4	-168.1	0	0	0	0	108.4	Q247	Q247-S249 PolarHBondContact O-N 2.74Å
250	I	83	Confident	89.6	Confident	98 Å²	98	66.6 Å²	66.6	50%	0.503	38%	0.381	S	S	.	.			trans	-97.8	115.1	172.5	-59.7	177	0	0	0	107.1	V248 G252 T253	V248-I250 HydrophobicContact CG1-CG1 3.99Å; I250-G252 PolarHBondContact O-N 2.65Å; I250-G252 VanDerWaalsContact O-N 3.16Å; I250-T253 HydrophobicContact CB-CG2 3.65Å; I250-T253 HydrophobicContact CG2-CG2 3.81Å; I250-T253 PolarHBondContact O-N 2.69Å; I250-T253 VanDerWaalsContact O-N 3.1Å; I250-T253 PolarHBondContact O-OG1 3.37Å
251	P	82.6	Confident	89.6	Confident	120 Å²	120	66.4 Å²	66.4	78%	0.779	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	125.2	-179.8	-27.2	34.9	0	0	0	111.9
252	G	85.9	Confident	89.6	Confident	30 Å²	30	67.1 Å²	67.1	31%	0.309	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-22.1	178.2	0	0	0	0	0	113.9	I250 Q254 Y255	I250-G252 PolarHBondContact O-N 2.65Å; I250-G252 VanDerWaalsContact O-N 3.16Å; G252-Q254 PolarHBondContact O-N 2.96Å; G252-Q254 VanDerWaalsContact O-N 3.15Å; G252-Y255 WeakPolarHBondContact O-CD2 3.5Å; G252-Y255 PolarHBondContact O-N 3.12Å
253	T	89.2	Confident	89.7	Confident	56 Å²	56	72.5 Å²	72.5	34%	0.344	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-65.3	-21.3	178.7	59.2	0	0	0	0	112.5	I250 Y255 L256 N261	I250-T253 HydrophobicContact CB-CG2 3.65Å; I250-T253 HydrophobicContact CG2-CG2 3.81Å; I250-T253 PolarHBondContact O-N 2.69Å; I250-T253 VanDerWaalsContact O-N 3.1Å; I250-T253 PolarHBondContact O-OG1 3.37Å; T253-Y255 PolarHBondContact O-N 3.02Å; T253-L256 HydrophobicContact CG2-CD1 4.22Å; T253-L256 WeakPolarHBondContact O-CB 3.46Å; T253-L256 PolarHBondContact O-N 3.16Å; T253-N261 PolarHBondContact O-ND2 3.26Å
254	Q	88.8	Confident	90	Very high	39 Å²	39	68.7 Å²	68.7	18%	0.182	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-65.1	-15.2	174.3	72.1	-85.7	9.2	0	0	114.4	P132 G252 W265	P132-Q254 HydrophobicContact CB-CB 3.88Å; P132-Q254 HydrophobicContact CB-CG 4.28Å; P132-Q254 HydrophobicContact CG-CB 3.72Å; P132-Q254 HydrophobicContact CG-CG 4.01Å; G252-Q254 PolarHBondContact O-N 2.96Å; G252-Q254 VanDerWaalsContact O-N 3.15Å; Q254-W265 VanDerWaalsContact O-CZ2 3.29Å; Q254-W265 WeakPolarHBondContact O-CZ2 3.13Å
255	Y	92.3	Very high	90.3	Very high	173 Å²	173	72.5 Å²	72.5	68%	0.678	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-96.3	-8.4	177.4	-54.5	-64.2	0	0	0	112.8	G252 T253	G252-Y255 WeakPolarHBondContact O-CD2 3.5Å; G252-Y255 PolarHBondContact O-N 3.12Å; T253-Y255 PolarHBondContact O-N 3.02Å
256	L	93.9	Very high	90.6	Very high	95 Å²	95	77.5 Å²	77.5	50%	0.497	41%	0.413	S	S	.	.	S	Bend	trans	-75.9	140.7	177.2	-60.9	176.2	0	0	0	110.1	T253 T258 N261	T253-L256 HydrophobicContact CG2-CD1 4.22Å; T253-L256 WeakPolarHBondContact O-CB 3.46Å; T253-L256 PolarHBondContact O-N 3.16Å; L256-T258 HydrophobicContact CB-CG2 4.18Å; L256-T258 PolarHBondContact O-N 3.27Å; L256-N261 WeakPolarHBondContact O-CB 3.47Å; L256-N261 PolarHBondContact O-ND2 3.04Å
257	P	95.2	Very high	91.2	Very high	96 Å²	96	76.2 Å²	76.2	62%	0.623	41%	0.406	S	S	*	.			trans	-77.8	54.9	-178.6	34.2	-37.4	0	0	0	112.2	I262 W265	P257-I262 HydrophobicContact CB-CD1 4.16Å; P257-I262 HydrophobicContact CB-CG1 4.38Å; P257-I262 WeakPolarHBondContact O-CD1 3.49Å; P257-W265 HydrophobicContact CB-CH2 4.49Å; P257-W265 HydrophobicContact CB-CZ3 4.38Å
258	T	94	Very high	91.7	Very high	54 Å²	54	73.2 Å²	73.2	33%	0.331	39%	0.392	S	S	.	.			trans	-73.2	154.8	172.9	70.1	0	0	0	0	110.3	L256 S260 N261 I262	L256-T258 HydrophobicContact CB-CG2 4.18Å; L256-T258 PolarHBondContact O-N 3.27Å; T258-S260 PolarHBondContact O-N 3.13Å; T258-S260 VanDerWaalsContact O-N 3.15Å; T258-N261 PolarHBondContact O-N 3.06Å; T258-N261 VanDerWaalsContact O-N 3.1Å; T258-N261 WeakPolarHBondContact OG1-CB 3.47Å; T258-N261 PolarHBondContact OG1-N 2.82Å; T258-N261 PolarHBondContact OG1-ND2 2.97Å; T258-N261 VanDerWaalsContact OG1-ND2 3.15Å; T258-I262 WeakPolarHBondContact O-CG1 3.19Å; T258-I262 PolarHBondContact O-N 3.38Å
259	P	94	Very high	92.3	Very high	116 Å²	116	79.2 Å²	79.2	75%	0.753	41%	0.41	S	S	*	.	H	α-helix	trans	-53.1	-38.3	177.4	-28.6	35.6	0	0	0	113.5	R263	P259-R263 WeakPolarHBondContact O-CB 3.39Å; P259-R263 PolarHBondContact O-N 3.05Å
260	S	91.5	Very high	92.9	Very high	64 Å²	64	81.3 Å²	81.3	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-66.2	-48.6	176.8	-171.6	0	0	0	0	112	T258 R263 V264	T258-S260 PolarHBondContact O-N 3.13Å; T258-S260 VanDerWaalsContact O-N 3.15Å; S260-R263 WeakPolarHBondContact O-CB 3.3Å; S260-R263 PolarHBondContact O-N 2.61Å; S260-V264 WeakPolarHBondContact O-CG2 3.31Å; S260-V264 PolarHBondContact O-N 3.04Å
261	N	94	Very high	93.5	Very high	18 Å²	18	76.6 Å²	76.6	10%	0.096	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-42.3	179.5	-68	-18.2	0	0	0	111.6	T253 L256 T258 R263 V264 W265	T253-N261 PolarHBondContact O-ND2 3.26Å; L256-N261 WeakPolarHBondContact O-CB 3.47Å; L256-N261 PolarHBondContact O-ND2 3.04Å; T258-N261 PolarHBondContact O-N 3.06Å; T258-N261 VanDerWaalsContact O-N 3.1Å; T258-N261 WeakPolarHBondContact OG1-CB 3.47Å; T258-N261 PolarHBondContact OG1-N 2.82Å; T258-N261 PolarHBondContact OG1-ND2 2.97Å; T258-N261 VanDerWaalsContact OG1-ND2 3.15Å; N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 2.75Å; N261-V264 PolarHBondContact O-N 3.05Å; N261-W265 HydrophobicContact CB-CH2 4.43Å; N261-W265 HydrophobicContact CB-CZ2 3.95Å; N261-W265 PolarHBondContact O-N 3.4Å
262	I	96.2	Very high	94.1	Very high	62 Å²	62	72.1 Å²	72.1	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-42.4	175.3	-68.5	169.3	0	0	0	110.4	P257 T258 W265 K266	P257-I262 HydrophobicContact CB-CD1 4.16Å; P257-I262 HydrophobicContact CB-CG1 4.38Å; P257-I262 WeakPolarHBondContact O-CD1 3.49Å; T258-I262 WeakPolarHBondContact O-CG1 3.19Å; T258-I262 PolarHBondContact O-N 3.38Å; I262-W265 HydrophobicContact CG1-CE3 4.24Å; I262-W265 HydrophobicContact CG1-CZ3 4.17Å; I262-W265 PolarHBondContact O-N 3.47Å; I262-K266 HydrophobicContact CG2-CD 4.21Å; I262-K266 HydrophobicContact CG2-CG 4.48Å; I262-K266 WeakPolarHBondContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CG 3.33Å; I262-K266 PolarHBondContact O-N 3.48Å
263	R	95.4	Very high	94.5	Very high	138 Å²	138	74.1 Å²	74.1	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-48.2	175.4	-176.8	168.5	-175.2	158.4	1.2	111.5	E236 P259 S260 N261 W265 K266 L267	E236-R263 IonicContact OE2-CZ 2.73Å; E236-R263 IonicContact OE2-NE 2.9Å; E236-R263 PolarHBondContact OE2-NE 3.41Å; E236-R263 IonicContact OE2-NH2 2.7Å; E236-R263 PolarHBondContact OE2-NH2 3.22Å; P259-R263 WeakPolarHBondContact O-CB 3.39Å; P259-R263 PolarHBondContact O-N 3.05Å; S260-R263 WeakPolarHBondContact O-CB 3.3Å; S260-R263 PolarHBondContact O-N 2.61Å; N261-R263 VanDerWaalsContact C-N 3.27Å; N261-R263 PolarHBondContact O-N 2.75Å; R263-W265 VanDerWaalsContact C-N 3.33Å; R263-W265 PolarHBondContact O-N 3.26Å; R263-K266 PolarHBondContact O-N 3.43Å; R263-L267 HydrophobicContact CG-CD1 3.99Å; R263-L267 HydrophobicContact CG-CG 4.46Å; R263-L267 WeakPolarHBondContact O-CG 3.16Å; R263-L267 PolarHBondContact O-N 2.98Å
264	V	95.8	Very high	94.8	Very high	7 Å²	7	71.5 Å²	71.5	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-44.4	176.8	169.4	0	0	0	0	111.3	E133 K136 L237 C240 S260 N261 L267 E268	E133-V264 HydrophobicContact CG-CG2 4.21Å; K136-V264 HydrophobicContact CB-CG1 4.05Å; K136-V264 HydrophobicContact CG-CG1 3.61Å; L237-V264 HydrophobicContact CD2-CB 4.37Å; L237-V264 HydrophobicContact CD2-CG1 3.91Å; L237-V264 HydrophobicContact CD2-CG2 4.42Å; C240-V264 HydrophobicContact CB-CG2 3.91Å; S260-V264 WeakPolarHBondContact O-CG2 3.31Å; S260-V264 PolarHBondContact O-N 3.04Å; N261-V264 PolarHBondContact O-N 3.05Å; V264-L267 PolarHBondContact O-N 3.43Å; V264-E268 WeakPolarHBondContact O-CB 3.35Å; V264-E268 PolarHBondContact O-N 2.9Å
265	W	96.6	Very high	95.1	Very high	85 Å²	85	69.7 Å²	69.7	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-38	178.2	-57.9	-21.5	0	0	0	112.9	Q254 P257 N261 I262 R263 R269	Q254-W265 VanDerWaalsContact O-CZ2 3.29Å; Q254-W265 WeakPolarHBondContact O-CZ2 3.13Å; P257-W265 HydrophobicContact CB-CH2 4.49Å; P257-W265 HydrophobicContact CB-CZ3 4.38Å; N261-W265 HydrophobicContact CB-CH2 4.43Å; N261-W265 HydrophobicContact CB-CZ2 3.95Å; N261-W265 PolarHBondContact O-N 3.4Å; I262-W265 HydrophobicContact CG1-CE3 4.24Å; I262-W265 HydrophobicContact CG1-CZ3 4.17Å; I262-W265 PolarHBondContact O-N 3.47Å; R263-W265 VanDerWaalsContact C-N 3.33Å; R263-W265 PolarHBondContact O-N 3.26Å; W265-R269 WeakPolarHBondContact O-CB 3.34Å; W265-R269 PolarHBondContact O-N 3.41Å
266	K	97	Very high	95.2	Very high	149 Å²	149	65.8 Å²	65.8	65%	0.648	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-46.1	174.7	-77.2	179.4	178.9	-176.2	0	111.1	I262 R263 R269 K270	I262-K266 HydrophobicContact CG2-CD 4.21Å; I262-K266 HydrophobicContact CG2-CG 4.48Å; I262-K266 WeakPolarHBondContact O-CB 3.32Å; I262-K266 WeakPolarHBondContact O-CG 3.33Å; I262-K266 PolarHBondContact O-N 3.48Å; R263-K266 PolarHBondContact O-N 3.43Å; K266-R269 PolarHBondContact O-N 3.09Å; K266-K270 WeakPolarHBondContact O-CB 3.49Å; K266-K270 PolarHBondContact O-N 3.47Å
267	L	96.8	Very high	95.2	Very high	13 Å²	13	67.6 Å²	67.6	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-45.5	178	-69.7	168.5	0	0	0	111.9	E236 L237 R263 V264 R269 K270 M271	E236-L267 HydrophobicContact CB-CD1 3.62Å; E236-L267 HydrophobicContact CB-CD2 3.8Å; E236-L267 HydrophobicContact CB-CG 4.36Å; E236-L267 HydrophobicContact CG-CD2 4.33Å; L237-L267 HydrophobicContact CD1-CB 4.25Å; L237-L267 HydrophobicContact CD2-CB 3.9Å; L237-L267 HydrophobicContact CD2-CD1 4.19Å; L237-L267 HydrophobicContact CG-CB 3.82Å; L237-L267 HydrophobicContact CG-CD1 4.18Å; R263-L267 HydrophobicContact CG-CD1 3.99Å; R263-L267 HydrophobicContact CG-CG 4.46Å; R263-L267 WeakPolarHBondContact O-CG 3.16Å; R263-L267 PolarHBondContact O-N 2.98Å; V264-L267 PolarHBondContact O-N 3.43Å; L267-R269 VanDerWaalsContact C-N 3.34Å; L267-R269 PolarHBondContact O-N 2.8Å; L267-K270 PolarHBondContact O-N 2.87Å; L267-M271 WeakPolarHBondContact O-CB 3.4Å; L267-M271 PolarHBondContact O-N 3.19Å
268	E	96.1	Very high	95	Very high	27 Å²	27	63.7 Å²	63.7	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-56.8	-48.6	174.8	177.7	178.3	-147.8	0	0	111.3	K136 V264 K270 M271 D272 R320	K136-E268 WeakPolarHBondContact CD-OE1 3.38Å; K136-E268 WeakPolarHBondContact CD-OE2 3.47Å; K136-E268 WeakPolarHBondContact CE-OE2 3.25Å; K136-E268 IonicContact NZ-OE1 2.71Å; K136-E268 PolarHBondContact NZ-OE1 2.87Å; K136-E268 IonicContact NZ-OE2 2.71Å; K136-E268 PolarHBondContact NZ-OE2 3.28Å; V264-E268 WeakPolarHBondContact O-CB 3.35Å; V264-E268 PolarHBondContact O-N 2.9Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.38Å; E268-M271 PolarHBondContact O-N 3.49Å; E268-D272 PolarHBondContact O-N 2.79Å; E268-R320 VanDerWaalsContact CG-NH2 3.34Å; E268-R320 IonicContact OE1-CZ 3.45Å; E268-R320 IonicContact OE1-NH1 3.89Å; E268-R320 PolarHBondContact OE1-NH1 3.44Å; E268-R320 VanDerWaalsContact OE1-NH1 3.17Å; E268-R320 IonicContact OE1-NH2 2.78Å; E268-R320 PolarHBondContact OE1-NH2 2.99Å; E268-R320 VanDerWaalsContact OE1-NH2 3.1Å
269	R	96.4	Very high	94.9	Very high	172 Å²	172	61.2 Å²	61.2	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-62.9	-39.8	179.9	-170.9	-178	-60.8	-176.7	-0.2	111.8	W265 K266 L267 N273	W265-R269 WeakPolarHBondContact O-CB 3.34Å; W265-R269 PolarHBondContact O-N 3.41Å; K266-R269 PolarHBondContact O-N 3.09Å; L267-R269 VanDerWaalsContact C-N 3.34Å; L267-R269 PolarHBondContact O-N 2.8Å; R269-N273 WeakPolarHBondContact O-CB 3.46Å; R269-N273 PolarHBondContact O-N 3.32Å; R269-N273 PolarHBondContact O-ND2 3.43Å
270	K	96	Very high	94.8	Very high	95 Å²	95	58.3 Å²	58.3	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-48.9	177.6	-162.8	-178.9	-166.6	-153.2	0	110.7	E229 K266 L267 E268 N273 S274	E229-K270 HydrophobicContact CG-CD 4.42Å; E229-K270 HydrophobicContact CG-CG 4.25Å; E229-K270 WeakPolarHBondContact OE1-CD 3.45Å; E229-K270 WeakPolarHBondContact OE1-CE 3.38Å; E229-K270 IonicContact OE1-NZ 3.66Å; E229-K270 PolarHBondContact OE1-NZ 3.45Å; E229-K270 VanDerWaalsContact OE2-CE 3.25Å; E229-K270 WeakPolarHBondContact OE2-CE 3.29Å; E229-K270 IonicContact OE2-NZ 2.79Å; E229-K270 PolarHBondContact OE2-NZ 3.3Å; K266-K270 WeakPolarHBondContact O-CB 3.49Å; K266-K270 PolarHBondContact O-N 3.47Å; L267-K270 PolarHBondContact O-N 2.87Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.38Å; K270-N273 PolarHBondContact O-N 2.86Å; K270-S274 PolarHBondContact O-N 2.93Å; K270-S274 VanDerWaalsContact O-N 3.1Å; K270-S274 PolarHBondContact O-OG 3.02Å
271	M	95.5	Very high	94.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-50	176.1	-178.1	170.9	56	0	0	111.9	K136 V230 Q234 L237 L267 E268 N273 S274 I275 R320	K136-M271 WeakPolarHBondContact O-CE 3.25Å; V230-M271 HydrophobicContact CG1-CG 4.14Å; V230-M271 HydrophobicContact CG1-SD 4.42Å; Q234-M271 HydrophobicContact CG-SD 3.43Å; Q234-M271 WeakPolarHBondContact CG-SD 3.3Å; L237-M271 HydrophobicContact CD1-CE 3.69Å; L237-M271 HydrophobicContact CD1-SD 4.45Å; L267-M271 WeakPolarHBondContact O-CB 3.4Å; L267-M271 PolarHBondContact O-N 3.19Å; E268-M271 PolarHBondContact O-N 3.49Å; M271-N273 VanDerWaalsContact C-N 3.32Å; M271-N273 PolarHBondContact O-N 3.1Å; M271-S274 PolarHBondContact O-N 2.95Å; M271-S274 VanDerWaalsContact O-N 3.15Å; M271-I275 HydrophobicContact CG-CD1 3.93Å; M271-I275 WeakPolarHBondContact O-CG1 3.35Å; M271-I275 PolarHBondContact O-N 3.26Å; M271-R320 VanDerWaalsContact CE-CD 3.47Å; M271-R320 HydrophobicContact CE-CG 3.79Å; M271-R320 HydrophobicContact CG-CG 4.41Å; M271-R320 HydrophobicContact SD-CG 3.92Å
272	D	95.3	Very high	94.4	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-40.8	179.1	-84.4	-4.9	0	0	0	113.1	E268 S274 I275 K276 I316 R320	E268-D272 PolarHBondContact O-N 2.79Å; D272-S274 VanDerWaalsContact C-N 3.29Å; D272-S274 PolarHBondContact O-N 2.85Å; D272-I275 PolarHBondContact O-N 3Å; D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.35Å; D272-K276 WeakPolarHBondContact O-CG 3.42Å; D272-K276 PolarHBondContact O-N 2.94Å; D272-I316 WeakPolarHBondContact OD1-CG2 3.21Å; D272-R320 IonicContact OD1-CZ 3.2Å; D272-R320 IonicContact OD1-NE 2.81Å; D272-R320 PolarHBondContact OD1-NE 3.25Å; D272-R320 IonicContact OD1-NH2 3.24Å; D272-R320 PolarHBondContact OD1-NH2 2.95Å; D272-R320 IonicContact OD2-CZ 3.31Å; D272-R320 IonicContact OD2-NH2 2.85Å; D272-R320 PolarHBondContact OD2-NH2 3.05Å
273	N	95.7	Very high	94.1	Very high	72 Å²	72	60 Å²	60	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-67.2	-33.2	178.9	-72.6	-13	0	0	0	111.6	R269 K270 M271 R277	R269-N273 WeakPolarHBondContact O-CB 3.46Å; R269-N273 PolarHBondContact O-N 3.32Å; R269-N273 PolarHBondContact O-ND2 3.43Å; K270-N273 PolarHBondContact O-N 2.86Å; M271-N273 VanDerWaalsContact C-N 3.32Å; M271-N273 PolarHBondContact O-N 3.1Å; N273-R277 WeakPolarHBondContact O-CG 3.33Å; N273-R277 PolarHBondContact O-N 3.24Å; N273-R277 VanDerWaalsContact O-N 3.13Å; N273-R277 PolarHBondContact O-NE 3.11Å
274	S	94.6	Very high	93.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.1	-46.3	173.4	-62	0	0	0	0	111.5	E229 K270 M271 D272 K276 R277 I278	E229-S274 VanDerWaalsContact CG-OG 3.28Å; E229-S274 WeakPolarHBondContact CG-OG 3.3Å; K270-S274 PolarHBondContact O-N 2.93Å; K270-S274 VanDerWaalsContact O-N 3.1Å; K270-S274 PolarHBondContact O-OG 3.02Å; M271-S274 PolarHBondContact O-N 2.95Å; M271-S274 VanDerWaalsContact O-N 3.15Å; D272-S274 VanDerWaalsContact C-N 3.29Å; D272-S274 PolarHBondContact O-N 2.85Å; S274-K276 VanDerWaalsContact C-N 3.34Å; S274-K276 PolarHBondContact O-N 2.94Å; S274-R277 WeakPolarHBondContact O-CB 3.32Å; S274-R277 PolarHBondContact O-N 3Å; S274-R277 VanDerWaalsContact O-N 3.11Å; S274-R277 PolarHBondContact OG-NH2 3.24Å; S274-I278 WeakPolarHBondContact O-CG1 3.29Å; S274-I278 PolarHBondContact O-N 3.38Å
275	I	94.6	Very high	93.1	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175.8	-65.7	172.1	0	0	0	111	V230 M271 D272 R277 I278 I279 I316 C319 R320	V230-I275 HydrophobicContact CG1-CD1 4.45Å; V230-I275 HydrophobicContact CG1-CG1 4.48Å; V230-I275 HydrophobicContact CG2-CD1 4.45Å; V230-I275 HydrophobicContact CG2-CG1 3.68Å; M271-I275 HydrophobicContact CG-CD1 3.93Å; M271-I275 WeakPolarHBondContact O-CG1 3.35Å; M271-I275 PolarHBondContact O-N 3.26Å; D272-I275 PolarHBondContact O-N 3Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.37Å; I275-I278 WeakPolarHBondContact O-CB 3.27Å; I275-I278 PolarHBondContact O-N 3.17Å; I275-I279 HydrophobicContact CG2-CD1 3.73Å; I275-I279 HydrophobicContact CG2-CG1 4.32Å; I275-I279 WeakPolarHBondContact O-CG1 3.36Å; I275-I279 PolarHBondContact O-N 3.5Å; I275-I316 HydrophobicContact CB-CG2 4.45Å; I275-I316 HydrophobicContact CD1-CG2 4.43Å; I275-I316 HydrophobicContact CG2-CB 4.25Å; I275-I316 HydrophobicContact CG2-CG1 4.03Å; I275-I316 HydrophobicContact CG2-CG2 4.11Å; I275-C319 HydrophobicContact CD1-CB 4.1Å; I275-C319 HydrophobicContact CG1-CB 4.41Å; I275-C319 HydrophobicContact CG2-CB 3.65Å; I275-R320 HydrophobicContact CD1-CB 4.42Å; I275-R320 HydrophobicContact CD1-CG 3.51Å
276	K	94.8	Very high	91.5	Very high	92 Å²	92	68.7 Å²	68.7	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-38.6	175.1	-77.7	171.7	-175.5	176.8	0	112.1	D272 S274 I279 S280 I316	D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.35Å; D272-K276 WeakPolarHBondContact O-CG 3.42Å; D272-K276 PolarHBondContact O-N 2.94Å; S274-K276 VanDerWaalsContact C-N 3.34Å; S274-K276 PolarHBondContact O-N 2.94Å; K276-I279 PolarHBondContact O-N 2.82Å; K276-S280 VanDerWaalsContact O-CB 3.27Å; K276-S280 WeakPolarHBondContact O-CB 3.27Å; K276-S280 PolarHBondContact O-N 3.32Å; K276-S280 PolarHBondContact O-OG 3.04Å; K276-I316 HydrophobicContact CD-CD1 4.23Å; K276-I316 HydrophobicContact CG-CD1 3.61Å; K276-I316 HydrophobicContact CG-CG1 4.34Å
277	R	93.4	Very high	90.1	Very high	132 Å²	132	65.4 Å²	65.4	50%	0.498	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.7	-79.6	177.5	-81.4	175.6	0.4	111.9	E226 N273 S274 I275 S280 S281	E226-R277 HydrophobicContact CG-CB 4.31Å; N273-R277 WeakPolarHBondContact O-CG 3.33Å; N273-R277 PolarHBondContact O-N 3.24Å; N273-R277 VanDerWaalsContact O-N 3.13Å; N273-R277 PolarHBondContact O-NE 3.11Å; S274-R277 WeakPolarHBondContact O-CB 3.32Å; S274-R277 PolarHBondContact O-N 3Å; S274-R277 VanDerWaalsContact O-N 3.11Å; S274-R277 PolarHBondContact OG-NH2 3.24Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.37Å; R277-S280 PolarHBondContact O-N 3.48Å; R277-S281 VanDerWaalsContact O-CB 3.32Å; R277-S281 WeakPolarHBondContact O-CB 3.15Å; R277-S281 PolarHBondContact O-N 2.78Å
278	I	91.9	Very high	89.3	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-50	173.7	-63.1	169.7	0	0	0	110.3	F220 E226 S274 I275 S281 R282 L294 F323	F220-I278 HydrophobicContact CB-CG2 4.49Å; E226-I278 HydrophobicContact CB-CD1 3.8Å; E226-I278 HydrophobicContact CB-CG1 3.57Å; E226-I278 HydrophobicContact CG-CG1 4.15Å; S274-I278 WeakPolarHBondContact O-CG1 3.29Å; S274-I278 PolarHBondContact O-N 3.38Å; I275-I278 WeakPolarHBondContact O-CB 3.27Å; I275-I278 PolarHBondContact O-N 3.17Å; I278-S281 PolarHBondContact O-N 2.77Å; I278-R282 PolarHBondContact O-N 2.93Å; I278-L294 HydrophobicContact CG2-CD2 3.7Å; I278-F323 HydrophobicContact CD1-CE2 4.3Å; I278-F323 HydrophobicContact CD1-CZ 4.06Å
279	I	92.1	Very high	88.7	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-49.1	-179.9	-65.3	164.4	0	0	0	111.2	I275 K276 S281 R282 L283 L294 L298 I312 I315 I316	I275-I279 HydrophobicContact CG2-CD1 3.73Å; I275-I279 HydrophobicContact CG2-CG1 4.32Å; I275-I279 WeakPolarHBondContact O-CG1 3.36Å; I275-I279 PolarHBondContact O-N 3.5Å; K276-I279 PolarHBondContact O-N 2.82Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 2.94Å; I279-R282 PolarHBondContact O-N 2.82Å; I279-R282 VanDerWaalsContact O-N 3.17Å; I279-L283 HydrophobicContact CG2-CD1 3.77Å; I279-L283 HydrophobicContact CG2-CG 4.18Å; I279-L283 WeakPolarHBondContact O-CG 3.13Å; I279-L283 PolarHBondContact O-N 3.48Å; I279-L294 HydrophobicContact CG1-CD1 3.99Å; I279-L298 HydrophobicContact CG2-CD2 3.8Å; I279-I312 HydrophobicContact CD1-CD1 4.15Å; I279-I312 HydrophobicContact CG2-CD1 3.57Å; I279-I315 HydrophobicContact CD1-CG2 3.83Å; I279-I315 HydrophobicContact CG1-CG2 4.34Å; I279-I316 HydrophobicContact CD1-CG1 3.62Å
280	S	91.2	Very high	88.1	Confident	56 Å²	56	63.8 Å²	63.8	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-40.3	-179.6	-68.5	0	0	0	0	112.2	K276 R277 R282 L283 Q284	K276-S280 VanDerWaalsContact O-CB 3.27Å; K276-S280 WeakPolarHBondContact O-CB 3.27Å; K276-S280 PolarHBondContact O-N 3.32Å; K276-S280 PolarHBondContact O-OG 3.04Å; R277-S280 PolarHBondContact O-N 3.48Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 2.79Å; S280-L283 PolarHBondContact O-N 3.03Å; S280-Q284 VanDerWaalsContact O-CG 3.26Å; S280-Q284 WeakPolarHBondContact O-CG 3.34Å; S280-Q284 PolarHBondContact O-N 2.78Å; S280-Q284 VanDerWaalsContact O-N 3.1Å
281	S	89.3	Confident	87.4	Confident	81 Å²	81	62.2 Å²	62.2	57%	0.566	32%	0.322	S	S	*	.	H	α-helix	trans	-59.6	-44.1	175.4	177.9	0	0	0	0	111.3	R277 I278 I279 Q284 S285	R277-S281 VanDerWaalsContact O-CB 3.32Å; R277-S281 WeakPolarHBondContact O-CB 3.15Å; R277-S281 PolarHBondContact O-N 2.78Å; I278-S281 PolarHBondContact O-N 2.77Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 2.94Å; S281-Q284 PolarHBondContact O-N 3.44Å; S281-S285 PolarHBondContact O-N 2.82Å
282	R	89	Confident	87.1	Confident	39 Å²	39	63.6 Å²	63.6	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-34.2	177.7	-168.8	66.4	70.5	99.6	1.9	113.2	F220 G221 I278 I279 S280 Q284 S285 Y289 D292 L294 L298	F220-R282 PolarHBondContact O-NH2 2.99Å; G221-R282 VanDerWaalsContact CA-NH2 3.33Å; I278-R282 PolarHBondContact O-N 2.93Å; I279-R282 PolarHBondContact O-N 2.82Å; I279-R282 VanDerWaalsContact O-N 3.17Å; S280-R282 VanDerWaalsContact C-N 3.33Å; S280-R282 PolarHBondContact O-N 2.79Å; R282-Q284 PolarHBondContact O-N 2.86Å; R282-S285 PolarHBondContact O-N 3.47Å; R282-S285 PolarHBondContact O-OG 2.96Å; R282-Y289 HydrophobicContact CG-CD1 4.31Å; R282-Y289 PolarHBondContact NH1-O 2.97Å; R282-D292 IonicContact CZ-OD2 3.1Å; R282-D292 IonicContact NH1-OD1 3.05Å; R282-D292 PolarHBondContact NH1-OD1 2.91Å; R282-D292 IonicContact NH1-OD2 3.84Å; R282-D292 PolarHBondContact NH1-OD2 3.23Å; R282-D292 IonicContact NH2-OD2 3.17Å; R282-D292 PolarHBondContact NH2-OD2 3.02Å; R282-L294 HydrophobicContact CB-CD2 4.25Å; R282-L294 HydrophobicContact CG-CD2 4.44Å; R282-L298 HydrophobicContact CB-CD1 3.8Å; R282-L298 HydrophobicContact CG-CD1 3.45Å; R282-L298 VanDerWaalsContact CG-CD1 3.45Å
283	L	88.8	Confident	86.9	Confident	59 Å²	59	62.5 Å²	62.5	31%	0.309	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-26.9	174.3	-75.8	172.9	0	0	0	112.6	I279 S280 Y289 L298	I279-L283 HydrophobicContact CG2-CD1 3.77Å; I279-L283 HydrophobicContact CG2-CG 4.18Å; I279-L283 WeakPolarHBondContact O-CG 3.13Å; I279-L283 PolarHBondContact O-N 3.48Å; S280-L283 PolarHBondContact O-N 3.03Å; L283-Y289 HydrophobicContact CD2-CE1 3.99Å; L283-L298 HydrophobicContact CD2-CD1 4.48Å; L283-L298 HydrophobicContact CD2-CD2 4.01Å; L283-L298 HydrophobicContact CG-CD2 4.21Å
284	Q	87.3	Confident	86.8	Confident	155 Å²	155	59.1 Å²	59.1	72%	0.724	31%	0.306	S	S	*	.	H	α-helix	trans	-86.4	-19.4	179.2	-70.5	171.1	11.9	0	0	113.5	S280 S281 R282 K286	S280-Q284 VanDerWaalsContact O-CG 3.26Å; S280-Q284 WeakPolarHBondContact O-CG 3.34Å; S280-Q284 PolarHBondContact O-N 2.78Å; S280-Q284 VanDerWaalsContact O-N 3.1Å; S281-Q284 PolarHBondContact O-N 3.44Å; R282-Q284 PolarHBondContact O-N 2.86Å; Q284-K286 PolarHBondContact O-N 3.48Å
285	S	82.1	Confident	86.6	Confident	39 Å²	39	59.1 Å²	59.1	27%	0.273	31%	0.306	S	S	.	.			trans	-67.7	121	174.3	63.7	0	0	0	0	109.6	S281 R282 S287	S281-S285 PolarHBondContact O-N 2.82Å; R282-S285 PolarHBondContact O-N 3.47Å; R282-S285 PolarHBondContact O-OG 2.96Å; S285-S287 PolarHBondContact O-N 2.83Å; S285-S287 VanDerWaalsContact O-N 3.1Å
286	K	63.9	Low	86.5	Confident	218 Å²	218	60 Å²	60	95%	0.948	31%	0.31	S	S	*	.	S	Bend	trans	-68.7	-1.4	-178.1	-69.2	-175.5	177.9	-179.9	0	114.6	Q284	Q284-K286 PolarHBondContact O-N 3.48Å
287	S	66.9	Low	86.5	Confident	80 Å²	80	55.7 Å²	55.7	56%	0.559	29%	0.291	S	S	*	.	S	Bend	trans	-83.1	167.4	176.5	55.3	0	0	0	0	111.4	S285 Y289	S285-S287 PolarHBondContact O-N 2.83Å; S285-S287 VanDerWaalsContact O-N 3.1Å; S287-Y289 PolarHBondContact O-N 3.09Å
288	D	80.9	Confident	86.4	Confident	103 Å²	103	49.4 Å²	49.4	55%	0.551	27%	0.268	S	S	*	.			trans	-47.3	142.7	160.9	-176.4	19.3	0	0	0	109.1	G290 K299	D288-G290 PolarHBondContact O-N 3.45Å; D288-K299 WeakPolarHBondContact OD1-CE 3.43Å; D288-K299 IonicContact OD1-NZ 2.79Å; D288-K299 PolarHBondContact OD1-NZ 3.01Å; D288-K299 VanDerWaalsContact OD1-NZ 3.15Å; D288-K299 IonicContact OD2-NZ 3.78Å; D288-K299 PolarHBondContact OD2-NZ 3.26Å
289	Y	83.4	Confident	86.4	Confident	50 Å²	50	51.8 Å²	51.8	20%	0.196	28%	0.278	C	S	.	.			trans	-63.3	-2.4	-177.6	-62.5	-51.6	0	0	0	113.3	R282 L283 S287 G295 L298 K299 N302	R282-Y289 HydrophobicContact CG-CD1 4.31Å; R282-Y289 PolarHBondContact NH1-O 2.97Å; L283-Y289 HydrophobicContact CD2-CE1 3.99Å; S287-Y289 PolarHBondContact O-N 3.09Å; Y289-G295 VanDerWaalsContact O-CA 3.32Å; Y289-G295 WeakPolarHBondContact O-CA 3.35Å; Y289-L298 HydrophobicContact CD1-CB 4.3Å; Y289-L298 HydrophobicContact CD1-CD1 4.04Å; Y289-L298 HydrophobicContact CD2-CB 3.76Å; Y289-L298 HydrophobicContact CE2-CB 4.21Å; Y289-L298 HydrophobicContact CG-CB 3.82Å; Y289-L298 HydrophobicContact CG-CD1 4.22Å; Y289-K299 HydrophobicContact CD2-CG 4.16Å; Y289-N302 WeakPolarHBondContact CE2-ND2 3.45Å; Y289-N302 PolarHBondContact OH-ND2 3.23Å
290	G	83.2	Confident	86.4	Confident	25 Å²	25	52 Å²	52	26%	0.258	28%	0.28	S	S	.	.			trans	79.8	178.7	-171.9	0	0	0	0	0	111.1	D288 G295 K299	D288-G290 PolarHBondContact O-N 3.45Å; G290-G295 WeakPolarHBondContact O-CA 3.45Å; G290-K299 WeakPolarHBondContact O-CE 3.22Å; G290-K299 PolarHBondContact O-NZ 3.07Å; G290-K299 VanDerWaalsContact O-NZ 3.16Å
291	D	82.4	Confident	86.3	Confident	63 Å²	63	53.3 Å²	53.3	34%	0.337	28%	0.276	S	S	.	.	S	Bend	trans	-114.9	12	-178.5	-72.6	-29.8	0	0	0	112.7	R166 K299	R166-D291 VanDerWaalsContact CZ-CG 3.41Å; R166-D291 IonicContact CZ-OD2 3.88Å; R166-D291 VanDerWaalsContact NH1-CG 3.28Å; R166-D291 IonicContact NH1-OD2 3.87Å; R166-D291 PolarHBondContact NH1-OD2 2.95Å; R166-D291 IonicContact NH2-OD1 2.7Å; R166-D291 PolarHBondContact NH2-OD1 3.49Å; R166-D291 IonicContact NH2-OD2 2.8Å; R166-D291 PolarHBondContact NH2-OD2 3.47Å; D291-K299 IonicContact OD1-NZ 3.22Å; D291-K299 PolarHBondContact OD1-NZ 3.33Å
292	D	88.4	Confident	86.1	Confident	29 Å²	29	53.3 Å²	53.3	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	-66.7	171.9	166.1	63.5	32.8	0	0	0	110.4	R282 L294 G295 I296	R282-D292 IonicContact CZ-OD2 3.1Å; R282-D292 IonicContact NH1-OD1 3.05Å; R282-D292 PolarHBondContact NH1-OD1 2.91Å; R282-D292 IonicContact NH1-OD2 3.84Å; R282-D292 PolarHBondContact NH1-OD2 3.23Å; R282-D292 IonicContact NH2-OD2 3.17Å; R282-D292 PolarHBondContact NH2-OD2 3.02Å; D292-L294 VanDerWaalsContact C-N 3.28Å; D292-L294 PolarHBondContact O-N 3.42Å; D292-L294 PolarHBondContact OD1-N 3.14Å; D292-G295 PolarHBondContact O-N 3.18Å; D292-G295 VanDerWaalsContact O-N 3.12Å; D292-G295 PolarHBondContact OD1-N 3.42Å; D292-I296 WeakPolarHBondContact O-CG1 3.41Å; D292-I296 PolarHBondContact O-N 3.12Å
293	L	91.7	Very high	85.9	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-43.8	-177.1	179	70.8	0	0	0	111.8	L158 A161 F162 A219 F220 I296 L297 F322	L158-L293 HydrophobicContact CD2-CD1 3.59Å; A161-L293 HydrophobicContact CB-CB 4.49Å; A161-L293 HydrophobicContact CB-CD1 3.66Å; F162-L293 HydrophobicContact CE2-CD1 4.24Å; A219-L293 HydrophobicContact CB-CB 3.88Å; A219-L293 HydrophobicContact CB-CD2 4.01Å; A219-L293 WeakPolarHBondContact O-CB 3.48Å; A219-L293 PolarHBondContact O-N 3.16Å; F220-L293 HydrophobicContact CE1-CD2 4.48Å; F220-L293 HydrophobicContact CZ-CD2 4.33Å; L293-I296 PolarHBondContact O-N 2.83Å; L293-L297 HydrophobicContact CG-CD1 4.37Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.31Å; L293-L297 PolarHBondContact O-N 3.34Å; L293-F322 HydrophobicContact CD1-CD2 4.44Å; L293-F322 HydrophobicContact CD1-CE2 4.27Å; L293-F322 HydrophobicContact CD1-CZ 4.43Å; L293-F322 HydrophobicContact CD2-CB 3.57Å; L293-F322 HydrophobicContact CD2-CD1 3.93Å; L293-F322 HydrophobicContact CD2-CD2 3.5Å; L293-F322 HydrophobicContact CD2-CE2 4.14Å; L293-F322 HydrophobicContact CD2-CG 3.38Å; L293-F322 HydrophobicContact CG-CD2 4.45Å
294	L	92.6	Very high	85.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-43.8	176.8	178.3	58.8	0	0	0	111.4	A219 F220 I278 I279 R282 D292 I296 L297 L298 I315	A219-L294 PolarHBondContact O-N 3.21Å; F220-L294 HydrophobicContact CD1-CB 4.12Å; I278-L294 HydrophobicContact CG2-CD2 3.7Å; I279-L294 HydrophobicContact CG1-CD1 3.99Å; R282-L294 HydrophobicContact CB-CD2 4.25Å; R282-L294 HydrophobicContact CG-CD2 4.44Å; D292-L294 VanDerWaalsContact C-N 3.28Å; D292-L294 PolarHBondContact O-N 3.42Å; D292-L294 PolarHBondContact OD1-N 3.14Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.1Å; L294-L297 WeakPolarHBondContact O-CB 3.23Å; L294-L297 PolarHBondContact O-N 2.84Å; L294-L297 VanDerWaalsContact O-N 3.12Å; L294-L298 HydrophobicContact CD1-CD1 4.15Å; L294-L298 HydrophobicContact CD1-CD2 4.37Å; L294-L298 HydrophobicContact CD1-CG 4.02Å; L294-L298 HydrophobicContact CG-CD1 4.01Å; L294-L298 HydrophobicContact CG-CG 4.3Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.17Å; L294-L298 PolarHBondContact O-N 3.07Å; L294-I315 HydrophobicContact CD1-CG2 4.33Å
295	G	91.7	Very high	84.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-44.7	176.2	0	0	0	0	0	112.1	Y289 G290 D292 L297 L298 K299	Y289-G295 VanDerWaalsContact O-CA 3.32Å; Y289-G295 WeakPolarHBondContact O-CA 3.35Å; G290-G295 WeakPolarHBondContact O-CA 3.45Å; D292-G295 PolarHBondContact O-N 3.18Å; D292-G295 VanDerWaalsContact O-N 3.12Å; D292-G295 PolarHBondContact OD1-N 3.42Å; G295-L297 PolarHBondContact O-N 3.44Å; G295-L298 PolarHBondContact O-N 3.16Å; G295-K299 WeakPolarHBondContact O-CB 3.42Å; G295-K299 VanDerWaalsContact O-CG 3.28Å; G295-K299 WeakPolarHBondContact O-CG 3.4Å; G295-K299 PolarHBondContact O-N 3.1Å
296	I	91.7	Very high	84.3	Confident	21 Å²	21	62.3 Å²	62.3	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-43.9	174.8	-70.5	166.4	0	0	0	111.4	I157 A161 D292 L293 L294 K299 A300	I157-I296 HydrophobicContact CG2-CG2 4.31Å; I157-I296 VanDerWaalsContact O-CG2 3.27Å; I157-I296 WeakPolarHBondContact O-CG2 3.39Å; A161-I296 VanDerWaalsContact CA-CD1 3.49Å; A161-I296 HydrophobicContact CB-CD1 3.53Å; D292-I296 WeakPolarHBondContact O-CG1 3.41Å; D292-I296 PolarHBondContact O-N 3.12Å; L293-I296 PolarHBondContact O-N 2.83Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.1Å; I296-K299 PolarHBondContact O-N 2.96Å; I296-A300 PolarHBondContact O-N 3.23Å
297	L	93.7	Very high	84.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.8	176.9	-71.8	171.5	0	0	0	112	L158 L293 L294 G295 A300 Y301 M310 I315 E318	L158-L297 HydrophobicContact CD2-CD2 3.84Å; L158-L297 HydrophobicContact CD2-CG 4.35Å; L293-L297 HydrophobicContact CG-CD1 4.37Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.31Å; L293-L297 PolarHBondContact O-N 3.34Å; L294-L297 WeakPolarHBondContact O-CB 3.23Å; L294-L297 PolarHBondContact O-N 2.84Å; L294-L297 VanDerWaalsContact O-N 3.12Å; G295-L297 PolarHBondContact O-N 3.44Å; L297-A300 WeakPolarHBondContact O-CB 3.37Å; L297-A300 PolarHBondContact O-N 3.47Å; L297-Y301 PolarHBondContact O-N 3.12Å; L297-M310 HydrophobicContact CD2-CE 3.98Å; L297-M310 HydrophobicContact CD2-SD 3.58Å; L297-M310 VanDerWaalsContact CD2-SD 3.58Å; L297-I315 HydrophobicContact CB-CD1 4.25Å; L297-I315 HydrophobicContact CB-CG1 4.1Å; L297-I315 HydrophobicContact CB-CG2 4.07Å; L297-I315 HydrophobicContact CD1-CG2 4.25Å; L297-I315 VanDerWaalsContact O-CD1 3.29Å; L297-I315 WeakPolarHBondContact O-CD1 3.34Å; L297-E318 HydrophobicContact CD1-CB 4.02Å; L297-E318 HydrophobicContact CD2-CB 4.31Å; L297-E318 HydrophobicContact CD2-CG 4.34Å
298	L	92.9	Very high	85.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-72.4	-32.7	177.8	-63.9	177.5	0	0	0	112.7	I279 R282 L283 Y289 L294 G295 A300 Y301 N302 I315	I279-L298 HydrophobicContact CG2-CD2 3.8Å; R282-L298 HydrophobicContact CB-CD1 3.8Å; R282-L298 HydrophobicContact CG-CD1 3.45Å; R282-L298 VanDerWaalsContact CG-CD1 3.45Å; L283-L298 HydrophobicContact CD2-CD1 4.48Å; L283-L298 HydrophobicContact CD2-CD2 4.01Å; L283-L298 HydrophobicContact CG-CD2 4.21Å; Y289-L298 HydrophobicContact CD1-CB 4.3Å; Y289-L298 HydrophobicContact CD1-CD1 4.04Å; Y289-L298 HydrophobicContact CD2-CB 3.76Å; Y289-L298 HydrophobicContact CE2-CB 4.21Å; Y289-L298 HydrophobicContact CG-CB 3.82Å; Y289-L298 HydrophobicContact CG-CD1 4.22Å; L294-L298 HydrophobicContact CD1-CD1 4.15Å; L294-L298 HydrophobicContact CD1-CD2 4.37Å; L294-L298 HydrophobicContact CD1-CG 4.02Å; L294-L298 HydrophobicContact CG-CD1 4.01Å; L294-L298 HydrophobicContact CG-CG 4.3Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.17Å; L294-L298 PolarHBondContact O-N 3.07Å; G295-L298 PolarHBondContact O-N 3.16Å; L298-A300 VanDerWaalsContact C-N 3.33Å; L298-Y301 WeakPolarHBondContact O-CB 3.33Å; L298-Y301 PolarHBondContact O-N 3.29Å; L298-N302 PolarHBondContact O-N 3.46Å; L298-N302 PolarHBondContact O-ND2 2.77Å; L298-I315 HydrophobicContact CD2-CD1 4.34Å
299	K	91.8	Very high	85.9	Confident	65 Å²	65	62.9 Å²	62.9	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-42.1	169.1	-72.1	173	-175.1	-170.8	0	110.5	D288 Y289 G290 D291 G295 I296 N302 T303	D288-K299 WeakPolarHBondContact OD1-CE 3.43Å; D288-K299 IonicContact OD1-NZ 2.79Å; D288-K299 PolarHBondContact OD1-NZ 3.01Å; D288-K299 VanDerWaalsContact OD1-NZ 3.15Å; D288-K299 IonicContact OD2-NZ 3.78Å; D288-K299 PolarHBondContact OD2-NZ 3.26Å; Y289-K299 HydrophobicContact CD2-CG 4.16Å; G290-K299 WeakPolarHBondContact O-CE 3.22Å; G290-K299 PolarHBondContact O-NZ 3.07Å; G290-K299 VanDerWaalsContact O-NZ 3.16Å; D291-K299 IonicContact OD1-NZ 3.22Å; D291-K299 PolarHBondContact OD1-NZ 3.33Å; G295-K299 WeakPolarHBondContact O-CB 3.42Å; G295-K299 VanDerWaalsContact O-CG 3.28Å; G295-K299 WeakPolarHBondContact O-CG 3.4Å; G295-K299 PolarHBondContact O-N 3.1Å; I296-K299 PolarHBondContact O-N 2.96Å; K299-N302 PolarHBondContact O-N 3.42Å; K299-T303 PolarHBondContact O-N 3.22Å; K299-T303 VanDerWaalsContact O-N 3.16Å; K299-T303 PolarHBondContact O-OG1 3.29Å
300	A	90.9	Very high	86.3	Confident	6 Å²	6	60.5 Å²	60.5	5%	0.05	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-37.3	174.3	0	0	0	0	0	112.7	I157 I296 L297 L298 N302 T303 R308 K309 M310	I157-A300 HydrophobicContact CD1-CB 4.27Å; I157-A300 HydrophobicContact CG1-CB 4.5Å; I157-A300 HydrophobicContact CG2-CB 3.71Å; I296-A300 PolarHBondContact O-N 3.23Å; L297-A300 WeakPolarHBondContact O-CB 3.37Å; L297-A300 PolarHBondContact O-N 3.47Å; L298-A300 VanDerWaalsContact C-N 3.33Å; A300-N302 VanDerWaalsContact C-N 3.32Å; A300-N302 PolarHBondContact O-N 3.26Å; A300-T303 PolarHBondContact O-N 3.06Å; A300-R308 WeakPolarHBondContact CB-O 3.28Å; A300-K309 WeakPolarHBondContact O-CA 3.46Å; A300-M310 HydrophobicContact CB-CB 4.39Å; A300-M310 PolarHBondContact O-N 3.19Å
301	Y	89.4	Confident	86.8	Confident	83 Å²	83	61.5 Å²	61.5	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-57.1	-43.7	173.9	-179.9	-104.9	0	0	0	113	L297 L298 M310 I312 I315	L297-Y301 PolarHBondContact O-N 3.12Å; L298-Y301 WeakPolarHBondContact O-CB 3.33Å; L298-Y301 PolarHBondContact O-N 3.29Å; Y301-M310 WeakPolarHBondContact CA-O 3.3Å; Y301-M310 VanDerWaalsContact CD2-O 3.25Å; Y301-M310 WeakPolarHBondContact CD2-O 3.32Å; Y301-I312 HydrophobicContact CE2-CB 4.17Å; Y301-I315 HydrophobicContact CD2-CD1 4.24Å; Y301-I315 HydrophobicContact CG-CD1 4.28Å
302	N	86	Confident	87.3	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0	-177.3	-69.4	-54.9	0	0	0	114.2	Y289 L298 K299 A300	Y289-N302 WeakPolarHBondContact CE2-ND2 3.45Å; Y289-N302 PolarHBondContact OH-ND2 3.23Å; L298-N302 PolarHBondContact O-N 3.46Å; L298-N302 PolarHBondContact O-ND2 2.77Å; K299-N302 PolarHBondContact O-N 3.42Å; A300-N302 VanDerWaalsContact C-N 3.32Å; A300-N302 PolarHBondContact O-N 3.26Å
303	T	85.2	Confident	87.6	Confident	49 Å²	49	64.4 Å²	64.4	30%	0.301	31%	0.311	S	S	.	.			trans	-72.3	133.2	178.4	-60.7	0	0	0	0	110.9	K299 A300 G305 R308	K299-T303 PolarHBondContact O-N 3.22Å; K299-T303 VanDerWaalsContact O-N 3.16Å; K299-T303 PolarHBondContact O-OG1 3.29Å; A300-T303 PolarHBondContact O-N 3.06Å; T303-G305 PolarHBondContact O-N 3.12Å; T303-R308 HydrophobicContact CG2-CB 4.01Å
304	E	75.2	Confident	87.8	Confident	193 Å²	193	65.5 Å²	65.5	90%	0.902	32%	0.316	S	S	*	.	S	Bend	trans	-79.2	114.4	167.3	-63.2	-167.8	170.2	0	0	109.5
305	G	75.3	Confident	88	Confident	43 Å²	43	65.5 Å²	65.5	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	135.8	126.3	178.7	0	0	0	0	0	113.4	T303 E307 R308 K309	T303-G305 PolarHBondContact O-N 3.12Å; G305-E307 PolarHBondContact O-N 3.22Å; G305-E307 VanDerWaalsContact O-N 3.13Å; G305-R308 PolarHBondContact O-N 3.09Å; G305-K309 VanDerWaalsContact O-CB 3.31Å; G305-K309 WeakPolarHBondContact O-CB 3.25Å; G305-K309 PolarHBondContact O-N 2.91Å; G305-K309 VanDerWaalsContact O-N 3.09Å
306	K	73.4	Confident	88.2	Confident	195 Å²	195	65.9 Å²	65.9	85%	0.848	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.5	-176.3	-72	-175.1	178.6	178.5	0	113.6	R308	K306-R308 VanDerWaalsContact C-N 3.31Å; K306-R308 PolarHBondContact O-N 3.46Å
307	E	76.4	Confident	88.5	Confident	144 Å²	144	65.4 Å²	65.4	67%	0.673	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.4	-175.7	-64.8	-163.3	169.8	0	0	114.6	R153 G305	R153-E307 WeakPolarHBondContact CG-O 3.38Å; G305-E307 PolarHBondContact O-N 3.22Å; G305-E307 VanDerWaalsContact O-N 3.13Å
308	R	79.7	Confident	88.6	Confident	157 Å²	157	65.4 Å²	65.4	59%	0.592	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-6.5	-179.8	-65.8	-169.6	-176.2	-169.2	2.2	113.6	I157 A300 T303 G305 K306	I157-R308 WeakPolarHBondContact CD1-O 3.43Å; A300-R308 WeakPolarHBondContact CB-O 3.28Å; T303-R308 HydrophobicContact CG2-CB 4.01Å; G305-R308 PolarHBondContact O-N 3.09Å; K306-R308 VanDerWaalsContact C-N 3.31Å; K306-R308 PolarHBondContact O-N 3.46Å
309	K	88.8	Confident	88.7	Confident	112 Å²	112	65.5 Å²	65.5	49%	0.487	32%	0.316	S	S	.	.			trans	-72.1	135.9	179.6	-167.2	164.1	-172	165.9	0	111.2	A300 G305	A300-K309 WeakPolarHBondContact O-CA 3.46Å; G305-K309 VanDerWaalsContact O-CB 3.31Å; G305-K309 WeakPolarHBondContact O-CB 3.25Å; G305-K309 PolarHBondContact O-N 2.91Å; G305-K309 VanDerWaalsContact O-N 3.09Å
310	M	91.6	Very high	88.9	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	30%	0.303	C	S	.	.			trans	-121	142.4	171.2	-167	173.1	-73	0	0	109.2	H154 I157 L297 A300 Y301 E314 I315 E318	H154-M310 HydrophobicContact CB-CE 4.43Å; I157-M310 HydrophobicContact CD1-CE 4Å; I157-M310 HydrophobicContact CG2-CE 4.44Å; L297-M310 HydrophobicContact CD2-CE 3.98Å; L297-M310 HydrophobicContact CD2-SD 3.58Å; L297-M310 VanDerWaalsContact CD2-SD 3.58Å; A300-M310 HydrophobicContact CB-CB 4.39Å; A300-M310 PolarHBondContact O-N 3.19Å; Y301-M310 WeakPolarHBondContact CA-O 3.3Å; Y301-M310 VanDerWaalsContact CD2-O 3.25Å; Y301-M310 WeakPolarHBondContact CD2-O 3.32Å; M310-E314 HydrophobicContact CG-CB 3.32Å; M310-E314 HydrophobicContact CG-CG 4.32Å; M310-E314 HydrophobicContact SD-CB 3.84Å; M310-I315 HydrophobicContact CB-CG1 4.31Å; M310-I315 HydrophobicContact CG-CG1 3.84Å; M310-I315 HydrophobicContact SD-CG1 3.62Å; M310-E318 HydrophobicContact CE-CG 4.35Å; M310-E318 HydrophobicContact SD-CG 4.18Å
311	S	93.7	Very high	89.1	Confident	45 Å²	45	62.7 Å²	62.7	32%	0.315	30%	0.303	S	S	.	.			trans	-81.2	158.7	173.7	64.7	0	0	0	0	111.4	E313 E314 I315	S311-E313 PolarHBondContact O-N 2.98Å; S311-E314 WeakPolarHBondContact CB-OE2 3.29Å; S311-E314 PolarHBondContact N-OE2 3.11Å; S311-E314 PolarHBondContact O-N 3.12Å; S311-E314 VanDerWaalsContact O-N 3.16Å; S311-E314 WeakPolarHBondContact OG-CB 3.36Å; S311-E314 VanDerWaalsContact OG-CD 3.24Å; S311-E314 VanDerWaalsContact OG-CG 3.25Å; S311-E314 WeakPolarHBondContact OG-CG 3.38Å; S311-E314 PolarHBondContact OG-N 2.84Å; S311-E314 PolarHBondContact OG-OE2 3.45Å; S311-I315 WeakPolarHBondContact O-CG1 3.44Å; S311-I315 PolarHBondContact O-N 3.36Å
312	I	93.6	Very high	89.3	Confident	66 Å²	66	59.5 Å²	59.5	34%	0.338	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-33.6	176.4	-166.8	63.6	0	0	0	112.5	I279 Y301 I315 I316	I279-I312 HydrophobicContact CD1-CD1 4.15Å; I279-I312 HydrophobicContact CG2-CD1 3.57Å; Y301-I312 HydrophobicContact CE2-CB 4.17Å; I312-I315 PolarHBondContact O-N 2.89Å; I312-I316 HydrophobicContact CG1-CD1 4.41Å; I312-I316 VanDerWaalsContact O-CG1 3.28Å; I312-I316 WeakPolarHBondContact O-CG1 3.42Å; I312-I316 PolarHBondContact O-N 3.11Å
313	E	95.1	Very high	89.7	Confident	87 Å²	87	55.6 Å²	55.6	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-68.5	-42	177.7	-169.2	-168.2	159.3	0	0	111.6	K141 S311 I315 I316 H317	K141-E313 HydrophobicContact CD-CG 4.32Å; K141-E313 WeakPolarHBondContact CE-OE1 3.37Å; K141-E313 IonicContact NZ-OE1 2.81Å; K141-E313 PolarHBondContact NZ-OE1 3.46Å; K141-E313 IonicContact NZ-OE2 2.7Å; K141-E313 PolarHBondContact NZ-OE2 3.2Å; S311-E313 PolarHBondContact O-N 2.98Å; E313-I315 VanDerWaalsContact C-N 3.33Å; E313-I316 PolarHBondContact O-N 2.88Å; E313-H317 PolarHBondContact O-N 3.21Å; E313-H317 IonicContact OE1-CE1 3.51Å
314	E	95.8	Very high	90.2	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-42.7	173.7	-74.8	162.9	151.4	0	0	110.9	K141 R153 H154 M310 S311 I316 H317 E318	K141-E314 HydrophobicContact CB-CG 3.99Å; K141-E314 HydrophobicContact CD-CG 3.96Å; R153-E314 IonicContact NH2-OE1 2.88Å; R153-E314 PolarHBondContact NH2-OE1 3.43Å; R153-E314 IonicContact NH2-OE2 2.62Å; H154-E314 IonicContact NE2-OE1 3.97Å; M310-E314 HydrophobicContact CG-CB 3.32Å; M310-E314 HydrophobicContact CG-CG 4.32Å; M310-E314 HydrophobicContact SD-CB 3.84Å; S311-E314 WeakPolarHBondContact CB-OE2 3.29Å; S311-E314 PolarHBondContact N-OE2 3.11Å; S311-E314 PolarHBondContact O-N 3.12Å; S311-E314 VanDerWaalsContact O-N 3.16Å; S311-E314 WeakPolarHBondContact OG-CB 3.36Å; S311-E314 VanDerWaalsContact OG-CD 3.24Å; S311-E314 VanDerWaalsContact OG-CG 3.25Å; S311-E314 WeakPolarHBondContact OG-CG 3.38Å; S311-E314 PolarHBondContact OG-N 2.84Å; S311-E314 PolarHBondContact OG-OE2 3.45Å; E314-I316 PolarHBondContact O-N 2.89Å; E314-H317 PolarHBondContact O-N 3.43Å; E314-E318 WeakPolarHBondContact O-CG 3.3Å; E314-E318 PolarHBondContact O-N 3.25Å
315	I	95.7	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-45.5	176.7	-66	176.1	0	0	0	111.1	I279 L294 L297 L298 Y301 M310 S311 I312 E313 H317 E318 C319	I279-I315 HydrophobicContact CD1-CG2 3.83Å; I279-I315 HydrophobicContact CG1-CG2 4.34Å; L294-I315 HydrophobicContact CD1-CG2 4.33Å; L297-I315 HydrophobicContact CB-CD1 4.25Å; L297-I315 HydrophobicContact CB-CG1 4.1Å; L297-I315 HydrophobicContact CB-CG2 4.07Å; L297-I315 HydrophobicContact CD1-CG2 4.25Å; L297-I315 VanDerWaalsContact O-CD1 3.29Å; L297-I315 WeakPolarHBondContact O-CD1 3.34Å; L298-I315 HydrophobicContact CD2-CD1 4.34Å; Y301-I315 HydrophobicContact CD2-CD1 4.24Å; Y301-I315 HydrophobicContact CG-CD1 4.28Å; M310-I315 HydrophobicContact CB-CG1 4.31Å; M310-I315 HydrophobicContact CG-CG1 3.84Å; M310-I315 HydrophobicContact SD-CG1 3.62Å; S311-I315 WeakPolarHBondContact O-CG1 3.44Å; S311-I315 PolarHBondContact O-N 3.36Å; I312-I315 PolarHBondContact O-N 2.89Å; E313-I315 VanDerWaalsContact C-N 3.33Å; I315-H317 VanDerWaalsContact C-N 3.28Å; I315-H317 PolarHBondContact O-N 3.25Å; I315-E318 PolarHBondContact O-N 3.1Å; I315-C319 PolarHBondContact O-N 3.47Å; I315-C319 PolarHBondContact O-SG 3.48Å
316	I	96.2	Very high	91.8	Very high	8 Å²	8	45 Å²	45	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-44.4	176.3	-69.8	162.6	0	0	0	110.5	D272 I275 K276 I279 I312 E313 E314 C319 R320	D272-I316 WeakPolarHBondContact OD1-CG2 3.21Å; I275-I316 HydrophobicContact CB-CG2 4.45Å; I275-I316 HydrophobicContact CD1-CG2 4.43Å; I275-I316 HydrophobicContact CG2-CB 4.25Å; I275-I316 HydrophobicContact CG2-CG1 4.03Å; I275-I316 HydrophobicContact CG2-CG2 4.11Å; K276-I316 HydrophobicContact CD-CD1 4.23Å; K276-I316 HydrophobicContact CG-CD1 3.61Å; K276-I316 HydrophobicContact CG-CG1 4.34Å; I279-I316 HydrophobicContact CD1-CG1 3.62Å; I312-I316 HydrophobicContact CG1-CD1 4.41Å; I312-I316 VanDerWaalsContact O-CG1 3.28Å; I312-I316 WeakPolarHBondContact O-CG1 3.42Å; I312-I316 PolarHBondContact O-N 3.11Å; E313-I316 PolarHBondContact O-N 2.88Å; E314-I316 PolarHBondContact O-N 2.89Å; I316-C319 WeakPolarHBondContact O-CB 3.41Å; I316-C319 PolarHBondContact O-N 2.88Å; I316-R320 WeakPolarHBondContact O-CG 3.43Å; I316-R320 PolarHBondContact O-N 2.62Å
317	H	97.1	Very high	92.8	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.046	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-36.5	179	-71.9	179	0	0	0	112.9	V138 S140 K141 E313 E314 I315 R320 T321	V138-H317 VanDerWaalsContact O-O 3.05Å; S140-H317 PolarHBondContact OG-CE1 3.33Å; S140-H317 VanDerWaalsContact OG-CE1 3.3Å; K141-H317 HydrophobicContact CB-CB 4.15Å; K141-H317 VanDerWaalsContact CB-ND1 3.31Å; K141-H317 WeakPolarHBondContact CB-ND1 3.47Å; K141-H317 PolarHBondContact N-ND1 3.44Å; E313-H317 PolarHBondContact O-N 3.21Å; E313-H317 IonicContact OE1-CE1 3.51Å; E314-H317 PolarHBondContact O-N 3.43Å; I315-H317 VanDerWaalsContact C-N 3.28Å; I315-H317 PolarHBondContact O-N 3.25Å; H317-R320 PolarHBondContact O-N 3.2Å; H317-T321 PolarHBondContact O-N 2.78Å; H317-T321 PolarHBondContact O-OG1 3.39Å
318	E	96.3	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-44.3	171.1	-68.9	-59.8	170.6	0	0	111	L143 H154 L158 L297 M310 E314 I315 R320 T321 F322	L143-E318 WeakPolarHBondContact CB-OE2 3.47Å; L143-E318 VanDerWaalsContact N-CD 3.35Å; L143-E318 PolarHBondContact N-OE1 2.71Å; L143-E318 PolarHBondContact N-OE2 2.62Å; L143-E318 VanDerWaalsContact N-OE2 3.09Å; H154-E318 IonicContact CE1-OE1 3.18Å; H154-E318 IonicContact CG-OE1 2.87Å; H154-E318 IonicContact ND1-OE1 2.61Å; H154-E318 PolarHBondContact ND1-OE1 3.02Å; L158-E318 HydrophobicContact CD1-CG 4.44Å; L297-E318 HydrophobicContact CD1-CB 4.02Å; L297-E318 HydrophobicContact CD2-CB 4.31Å; L297-E318 HydrophobicContact CD2-CG 4.34Å; M310-E318 HydrophobicContact CE-CG 4.35Å; M310-E318 HydrophobicContact SD-CG 4.18Å; E314-E318 WeakPolarHBondContact O-CG 3.3Å; E314-E318 PolarHBondContact O-N 3.25Å; I315-E318 PolarHBondContact O-N 3.1Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 3.41Å; E318-T321 WeakPolarHBondContact O-CA 3.26Å; E318-T321 WeakPolarHBondContact O-CB 3.43Å; E318-T321 PolarHBondContact O-N 2.53Å; E318-F322 HydrophobicContact CB-CD2 4.38Å; E318-F322 HydrophobicContact CB-CE2 4.39Å; E318-F322 WeakPolarHBondContact O-CD2 3.3Å; E318-F322 PolarHBondContact O-N 3.37Å
319	C	95.1	Very high	94.4	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-54.9	-48	174.3	-65.3	0	0	0	0	111.2	F220 I275 I315 I316 T321 F322 F323	F220-C319 HydrophobicContact CE1-CB 3.78Å; F220-C319 VanDerWaalsContact CE1-SG 3.58Å; F220-C319 HydrophobicContact CZ-CB 4.3Å; I275-C319 HydrophobicContact CD1-CB 4.1Å; I275-C319 HydrophobicContact CG1-CB 4.41Å; I275-C319 HydrophobicContact CG2-CB 3.65Å; I315-C319 PolarHBondContact O-N 3.47Å; I315-C319 PolarHBondContact O-SG 3.48Å; I316-C319 WeakPolarHBondContact O-CB 3.41Å; I316-C319 PolarHBondContact O-N 2.88Å; C319-T321 VanDerWaalsContact C-N 3.31Å; C319-T321 PolarHBondContact O-N 2.8Å; C319-F322 PolarHBondContact O-N 3.05Å; C319-F323 HydrophobicContact CB-CD2 4.37Å; C319-F323 WeakPolarHBondContact O-CB 3.47Å; C319-F323 VanDerWaalsContact O-CD2 3.23Å; C319-F323 WeakPolarHBondContact O-CD2 3.4Å; C319-F323 PolarHBondContact O-N 3.38Å
320	R	95.6	Very high	94.8	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-54.8	-47	174.6	-66.7	-179.5	-173.4	-172	16.9	111.4	K136 Q234 E268 M271 D272 I275 I316 H317 E318 F324	K136-R320 PolarHBondContact O-NH1 3.37Å; Q234-R320 PolarHBondContact NE2-O 3.07Å; E268-R320 VanDerWaalsContact CG-NH2 3.34Å; E268-R320 IonicContact OE1-CZ 3.45Å; E268-R320 IonicContact OE1-NH1 3.89Å; E268-R320 PolarHBondContact OE1-NH1 3.44Å; E268-R320 VanDerWaalsContact OE1-NH1 3.17Å; E268-R320 IonicContact OE1-NH2 2.78Å; E268-R320 PolarHBondContact OE1-NH2 2.99Å; E268-R320 VanDerWaalsContact OE1-NH2 3.1Å; M271-R320 VanDerWaalsContact CE-CD 3.47Å; M271-R320 HydrophobicContact CE-CG 3.79Å; M271-R320 HydrophobicContact CG-CG 4.41Å; M271-R320 HydrophobicContact SD-CG 3.92Å; D272-R320 IonicContact OD1-CZ 3.2Å; D272-R320 IonicContact OD1-NE 2.81Å; D272-R320 PolarHBondContact OD1-NE 3.25Å; D272-R320 IonicContact OD1-NH2 3.24Å; D272-R320 PolarHBondContact OD1-NH2 2.95Å; D272-R320 IonicContact OD2-CZ 3.31Å; D272-R320 IonicContact OD2-NH2 2.85Å; D272-R320 PolarHBondContact OD2-NH2 3.05Å; I275-R320 HydrophobicContact CD1-CB 4.42Å; I275-R320 HydrophobicContact CD1-CG 3.51Å; I316-R320 WeakPolarHBondContact O-CG 3.43Å; I316-R320 PolarHBondContact O-N 2.62Å; H317-R320 PolarHBondContact O-N 3.2Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 3.41Å; R320-F324 PolarHBondContact O-N 2.9Å
321	T	95.7	Very high	95.1	Very high	11 Å²	11	18.6 Å²	18.6	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-58	-49.2	178.8	-77	0	0	0	0	112	V138 V144 H317 E318 C319 F324 G325	V138-T321 PolarHBondContact O-N 3.45Å; V138-T321 PolarHBondContact O-OG1 3.4Å; V144-T321 HydrophobicContact CG2-CG2 3.66Å; H317-T321 PolarHBondContact O-N 2.78Å; H317-T321 PolarHBondContact O-OG1 3.39Å; E318-T321 WeakPolarHBondContact O-CA 3.26Å; E318-T321 WeakPolarHBondContact O-CB 3.43Å; E318-T321 PolarHBondContact O-N 2.53Å; C319-T321 VanDerWaalsContact C-N 3.31Å; C319-T321 PolarHBondContact O-N 2.8Å; T321-F324 PolarHBondContact O-N 3.42Å; T321-G325 PolarHBondContact O-N 3.38Å
322	F	94.9	Very high	95.3	Very high	16 Å²	16	16.4 Å²	16.4	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-77.7	-34.1	-174.3	-73.7	-73.7	0	0	0	113.5	L143 L158 F162 F220 L293 E318 C319 F324 G326 I465	L143-F322 HydrophobicContact CD2-CZ 4.43Å; L158-F322 HydrophobicContact CD1-CE2 3.82Å; L158-F322 HydrophobicContact CD1-CZ 3.91Å; L158-F322 HydrophobicContact CD2-CE2 3.54Å; L158-F322 HydrophobicContact CD2-CZ 3.88Å; L158-F322 HydrophobicContact CG-CE2 4.27Å; L158-F322 HydrophobicContact CG-CZ 4.34Å; F162-F322 AromaticContact CE2-CE1 3.65Å; F162-F322 HydrophobicContact CE2-CE1 3.65Å; F162-F322 HydrophobicContact CE2-CZ 4.01Å; F162-F322 AromaticContact CZ-CD1 3.86Å; F162-F322 HydrophobicContact CZ-CD1 3.86Å; F162-F322 AromaticContact CZ-CE1 3.37Å; F162-F322 HydrophobicContact CZ-CE1 3.37Å; F162-F322 HydrophobicContact CZ-CZ 4.17Å; F220-F322 HydrophobicContact CZ-CB 4.02Å; L293-F322 HydrophobicContact CD1-CD2 4.44Å; L293-F322 HydrophobicContact CD1-CE2 4.27Å; L293-F322 HydrophobicContact CD1-CZ 4.43Å; L293-F322 HydrophobicContact CD2-CB 3.57Å; L293-F322 HydrophobicContact CD2-CD1 3.93Å; L293-F322 HydrophobicContact CD2-CD2 3.5Å; L293-F322 HydrophobicContact CD2-CE2 4.14Å; L293-F322 HydrophobicContact CD2-CG 3.38Å; L293-F322 HydrophobicContact CG-CD2 4.45Å; E318-F322 HydrophobicContact CB-CD2 4.38Å; E318-F322 HydrophobicContact CB-CE2 4.39Å; E318-F322 WeakPolarHBondContact O-CD2 3.3Å; E318-F322 PolarHBondContact O-N 3.37Å; C319-F322 PolarHBondContact O-N 3.05Å; F322-F324 VanDerWaalsContact C-N 3.31Å; F322-F324 PolarHBondContact O-N 2.93Å; F322-G326 PolarHBondContact O-N 3.21Å; F322-I465 HydrophobicContact CE1-CG2 3.79Å; F322-I465 HydrophobicContact CZ-CG2 4.23Å
323	F	93.5	Very high	95.6	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-57.4	-45.4	169.6	-89.4	-67.3	0	0	0	111.2	I215 A216 F220 V230 F231 I278 C319 H327	I215-F323 HydrophobicContact CG2-CD1 4.44Å; A216-F323 HydrophobicContact CB-CE1 4.2Å; F220-F323 HydrophobicContact CB-CZ 4.19Å; F220-F323 AromaticContact CD1-CE2 3.87Å; F220-F323 HydrophobicContact CD1-CE2 3.87Å; F220-F323 HydrophobicContact CD1-CZ 4.2Å; F220-F323 HydrophobicContact CD2-CD1 4.1Å; F220-F323 HydrophobicContact CD2-CD2 4.11Å; F220-F323 AromaticContact CD2-CE1 3.55Å; F220-F323 HydrophobicContact CD2-CE1 3.55Å; F220-F323 AromaticContact CD2-CE2 3.54Å; F220-F323 HydrophobicContact CD2-CE2 3.54Å; F220-F323 HydrophobicContact CD2-CG 4.36Å; F220-F323 AromaticContact CD2-CZ 3.23Å; F220-F323 HydrophobicContact CD2-CZ 3.23Å; F220-F323 HydrophobicContact CE1-CD2 4.09Å; F220-F323 AromaticContact CE1-CE2 3.79Å; F220-F323 HydrophobicContact CE1-CE2 3.79Å; F220-F323 HydrophobicContact CE1-CZ 4.45Å; F220-F323 AromaticContact CE2-CD1 3.73Å; F220-F323 HydrophobicContact CE2-CD1 3.73Å; F220-F323 AromaticContact CE2-CD2 3.5Å; F220-F323 HydrophobicContact CE2-CD2 3.5Å; F220-F323 AromaticContact CE2-CE1 3.67Å; F220-F323 HydrophobicContact CE2-CE1 3.67Å; F220-F323 AromaticContact CE2-CE2 3.42Å; F220-F323 HydrophobicContact CE2-CE2 3.42Å; F220-F323 VanDerWaalsContact CE2-CE2 3.42Å; F220-F323 AromaticContact CE2-CG 3.65Å; F220-F323 HydrophobicContact CE2-CG 3.65Å; F220-F323 AromaticContact CE2-CZ 3.52Å; F220-F323 HydrophobicContact CE2-CZ 3.52Å; F220-F323 HydrophobicContact CG-CE1 4.35Å; F220-F323 AromaticContact CG-CE2 3.75Å; F220-F323 HydrophobicContact CG-CE2 3.75Å; F220-F323 AromaticContact CG-CZ 3.6Å; F220-F323 HydrophobicContact CG-CZ 3.6Å; F220-F323 AromaticContact CZ-CD2 3.48Å; F220-F323 HydrophobicContact CZ-CD2 3.48Å; F220-F323 VanDerWaalsContact CZ-CD2 3.48Å; F220-F323 AromaticContact CZ-CE2 3.55Å; F220-F323 HydrophobicContact CZ-CE2 3.55Å; F220-F323 AromaticContact CZ-CG 3.99Å; F220-F323 HydrophobicContact CZ-CG 3.99Å; F220-F323 HydrophobicContact CZ-CZ 4.13Å; V230-F323 HydrophobicContact CG1-CB 3.93Å; V230-F323 HydrophobicContact CG1-CD1 4.18Å; V230-F323 HydrophobicContact CG1-CD2 3.73Å; V230-F323 HydrophobicContact CG1-CE2 4.27Å; V230-F323 HydrophobicContact CG1-CG 3.69Å; V230-F323 HydrophobicContact CG2-CE2 4.49Å; F231-F323 HydrophobicContact CD1-CD1 4.46Å; F231-F323 HydrophobicContact CE1-CB 4.42Å; F231-F323 AromaticContact CE1-CD1 3.68Å; F231-F323 HydrophobicContact CE1-CD1 3.68Å; F231-F323 HydrophobicContact CE1-CE1 4.48Å; F231-F323 HydrophobicContact CE2-CD1 4.07Å; F231-F323 HydrophobicContact CE2-CE1 4.09Å; F231-F323 AromaticContact CZ-CD1 3.44Å; F231-F323 HydrophobicContact CZ-CD1 3.44Å; F231-F323 VanDerWaalsContact CZ-CD1 3.44Å; F231-F323 AromaticContact CZ-CE1 3.83Å; F231-F323 HydrophobicContact CZ-CE1 3.83Å; I278-F323 HydrophobicContact CD1-CE2 4.3Å; I278-F323 HydrophobicContact CD1-CZ 4.06Å; C319-F323 HydrophobicContact CB-CD2 4.37Å; C319-F323 WeakPolarHBondContact O-CB 3.47Å; C319-F323 VanDerWaalsContact O-CD2 3.23Å; C319-F323 WeakPolarHBondContact O-CD2 3.4Å; C319-F323 PolarHBondContact O-N 3.38Å; F323-H327 WeakPolarHBondContact O-CB 3.29Å
324	F	94.8	Very high	95.8	Very high	22 Å²	22	9.3 Å²	9.3	10%	0.096	6%	0.058	C	C	.	.	H	α-helix	trans	-71.5	-51.8	179	-176.6	-104.4	0	0	0	111.7	L137 V138 K238 R320 T321 F322 G326 E328 V502	L137-F324 HydrophobicContact CD1-CD2 4Å; L137-F324 HydrophobicContact CD1-CE2 4.24Å; L137-F324 HydrophobicContact CD2-CD2 4.23Å; L137-F324 HydrophobicContact CD2-CE1 4.37Å; L137-F324 HydrophobicContact CD2-CE2 3.88Å; L137-F324 HydrophobicContact CD2-CZ 3.95Å; L137-F324 HydrophobicContact CG-CD2 4.21Å; L137-F324 HydrophobicContact CG-CE2 4.35Å; L137-F324 HydrophobicContact CG-CG 4.49Å; V138-F324 HydrophobicContact CG1-CB 4.04Å; V138-F324 HydrophobicContact CG1-CD1 3.67Å; V138-F324 HydrophobicContact CG1-CE1 4.41Å; V138-F324 HydrophobicContact CG1-CG 3.98Å; K238-F324 HydrophobicContact CD-CE2 4.1Å; K238-F324 HydrophobicContact CD-CZ 4.45Å; R320-F324 PolarHBondContact O-N 2.9Å; T321-F324 PolarHBondContact O-N 3.42Å; F322-F324 VanDerWaalsContact C-N 3.31Å; F322-F324 PolarHBondContact O-N 2.93Å; F324-G326 PolarHBondContact O-N 3.49Å; F324-E328 HydrophobicContact CD2-CB 4.31Å; F324-E328 HydrophobicContact CE2-CB 4.04Å; F324-E328 HydrophobicContact CE2-CG 3.94Å; F324-E328 HydrophobicContact CZ-CB 4.24Å; F324-E328 HydrophobicContact CZ-CG 3.92Å; F324-E328 VanDerWaalsContact O-CB 3.3Å; F324-E328 WeakPolarHBondContact O-CB 3.48Å; F324-E328 PolarHBondContact O-N 3.03Å; F324-V502 HydrophobicContact CE1-CG1 4.25Å; F324-V502 HydrophobicContact CZ-CG1 3.93Å
325	G	94	Very high	95.9	Very high	30 Å²	30	8 Å²	8	31%	0.309	5%	0.052	S	C	.	.	H	α-helix	trans	-64.2	-41.8	-172.4	0	0	0	0	0	113.6	T321 T329	T321-G325 PolarHBondContact O-N 3.38Å; G325-T329 PolarHBondContact O-OG1 3.2Å
326	G	91.1	Very high	96	Very high	11 Å²	11	8 Å²	8	11%	0.113	5%	0.052	C	C	.	.	H	α-helix	trans	-74.8	-28.7	-177.8	0	0	0	0	0	114.3	F322 F324 T330	F322-G326 PolarHBondContact O-N 3.21Å; F324-G326 PolarHBondContact O-N 3.49Å; G326-T330 PolarHBondContact O-OG1 3.46Å
327	H	93.7	Very high	96.1	Very high	13 Å²	13	7.7 Å²	7.7	6%	0.06	5%	0.05	C	C	.	.	H	α-helix	trans	-90.2	-56	-178.4	158.6	-107.5	0	0	0	112.2	Q208 T211 A212 I215 F231 F323 T329 S331	Q208-H327 WeakPolarHBondContact CA-NE2 3.44Å; Q208-H327 PolarHBondContact O-CD2 2.95Å; Q208-H327 PolarHBondContact O-NE2 2.84Å; T211-H327 PolarHBondContact OG1-CD2 3.36Å; T211-H327 PolarHBondContact OG1-O 2.92Å; A212-H327 PolarHBondContact N-CD2 3.47Å; I215-H327 HydrophobicContact CG2-CB 4.19Å; F231-H327 HydrophobicContact CD1-CB 4.33Å; F231-H327 AromaticContact CD1-ND1 3.98Å; F231-H327 HydrophobicContact CE1-CB 3.71Å; F231-H327 AromaticContact CE1-CG 3.88Å; F323-H327 WeakPolarHBondContact O-CB 3.29Å; H327-T329 PolarHBondContact O-N 2.97Å; H327-S331 WeakPolarHBondContact O-CB 3.43Å; H327-S331 PolarHBondContact O-N 2.75Å; H327-S331 PolarHBondContact O-OG 3.36Å
328	E	93.6	Very high	96.2	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-70	-34.6	-167.2	-179.2	68.5	-138.6	0	0	111.9	K238 F324 S331 N332 T503	K238-E328 IonicContact NZ-OE1 3.67Å; K238-E328 PolarHBondContact NZ-OE1 3.27Å; K238-E328 IonicContact NZ-OE2 2.7Å; K238-E328 PolarHBondContact NZ-OE2 2.98Å; F324-E328 HydrophobicContact CD2-CB 4.31Å; F324-E328 HydrophobicContact CE2-CB 4.04Å; F324-E328 HydrophobicContact CE2-CG 3.94Å; F324-E328 HydrophobicContact CZ-CB 4.24Å; F324-E328 HydrophobicContact CZ-CG 3.92Å; F324-E328 VanDerWaalsContact O-CB 3.3Å; F324-E328 WeakPolarHBondContact O-CB 3.48Å; F324-E328 PolarHBondContact O-N 3.03Å; E328-S331 PolarHBondContact O-OG 3.02Å; E328-N332 PolarHBondContact O-ND2 3.46Å; E328-N332 PolarHBondContact OE1-ND2 2.97Å; E328-T503 HydrophobicContact CG-CG2 3.8Å; E328-T503 VanDerWaalsContact CG-OG1 3.32Å; E328-T503 WeakPolarHBondContact CG-OG1 3.35Å; E328-T503 PolarHBondContact OE1-OG1 3.28Å
329	T	96.9	Very high	96.3	Very high	38 Å²	38	7.2 Å²	7.2	23%	0.233	5%	0.048	C	C	.	.	H	α-helix	trans	-77.7	-42.2	-178.3	65.6	0	0	0	0	112.1	G325 H327 L333 P389 T503	G325-T329 PolarHBondContact O-OG1 3.2Å; H327-T329 PolarHBondContact O-N 2.97Å; T329-L333 PolarHBondContact O-N 2.75Å; T329-L333 VanDerWaalsContact O-N 3.13Å; T329-P389 HydrophobicContact CG2-CB 4.28Å; T329-P389 WeakPolarHBondContact O-CG 3.4Å; T329-T503 HydrophobicContact CG2-CG2 4.45Å
330	T	97.6	Very high	96.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-71.5	-39.7	-179.6	-48.8	0	0	0	0	112.2	T211 G326 N332 L333 L334 V470 E473	T211-T330 HydrophobicContact CG2-CG2 4.03Å; G326-T330 PolarHBondContact O-OG1 3.46Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3Å; T330-L333 WeakPolarHBondContact O-CB 3.39Å; T330-L333 PolarHBondContact O-N 2.78Å; T330-L333 VanDerWaalsContact O-N 3.17Å; T330-L334 HydrophobicContact CG2-CD1 4.06Å; T330-L334 HydrophobicContact CG2-CG 4.26Å; T330-L334 WeakPolarHBondContact O-CG 3.39Å; T330-L334 PolarHBondContact O-N 3.44Å; T330-V470 HydrophobicContact CG2-CG1 4.49Å; T330-E473 HydrophobicContact CG2-CB 4.38Å; T330-E473 HydrophobicContact CG2-CG 3.99Å; T330-E473 WeakPolarHBondContact CG2-OE2 3.35Å; T330-E473 PolarHBondContact OG1-OE2 2.8Å; T330-E473 VanDerWaalsContact OG1-OE2 3.12Å
331	S	97.7	Very high	96.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.4	-44.8	177.6	48.9	0	0	0	0	112	T211 H327 E328 L334 A335	T211-S331 WeakPolarHBondContact OG1-CB 3.21Å; H327-S331 WeakPolarHBondContact O-CB 3.43Å; H327-S331 PolarHBondContact O-N 2.75Å; H327-S331 PolarHBondContact O-OG 3.36Å; E328-S331 PolarHBondContact O-OG 3.02Å; S331-L334 PolarHBondContact O-N 2.67Å; S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 3.31Å
332	N	98.1	Very high	96.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.6	-40.9	176.1	-72.7	-48.9	0	0	0	112	E328 T330 L334 A335 W336 P389 T503 Q505	E328-N332 PolarHBondContact O-ND2 3.46Å; E328-N332 PolarHBondContact OE1-ND2 2.97Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3Å; N332-L334 PolarHBondContact O-N 2.89Å; N332-A335 PolarHBondContact O-N 3.4Å; N332-W336 PolarHBondContact O-N 3.41Å; N332-P389 HydrophobicContact CB-CG 4.45Å; N332-T503 PolarHBondContact ND2-OG1 3Å; N332-Q505 WeakPolarHBondContact OD1-CA 3.4Å; N332-Q505 WeakPolarHBondContact OD1-CB 3.5Å
333	L	98.6	Very high	96.8	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-47.5	173.9	169.7	60	0	0	0	111.8	T329 T330 T337 I380 L384 V470 A474	T329-L333 PolarHBondContact O-N 2.75Å; T329-L333 VanDerWaalsContact O-N 3.13Å; T330-L333 WeakPolarHBondContact O-CB 3.39Å; T330-L333 PolarHBondContact O-N 2.78Å; T330-L333 VanDerWaalsContact O-N 3.17Å; L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 2.93Å; L333-T337 PolarHBondContact O-OG1 3.04Å; L333-I380 HydrophobicContact CD1-CG2 4.41Å; L333-I380 HydrophobicContact CD2-CG2 4.17Å; L333-L384 HydrophobicContact CD1-CD2 3.78Å; L333-L384 HydrophobicContact CD1-CG 3.7Å; L333-L384 HydrophobicContact CD2-CD2 4.18Å; L333-L384 HydrophobicContact CD2-CG 4.39Å; L333-L384 HydrophobicContact CG-CD2 4.43Å; L333-V470 HydrophobicContact CD2-CG1 3.76Å; L333-A474 HydrophobicContact CD2-CB 4.07Å
334	L	98.8	Very high	97	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-46.2	178.7	-73.9	170.2	0	0	0	111	F207 T211 T330 S331 N332 W336 T337 T338 A474 V477 L478	F207-L334 HydrophobicContact CB-CB 4.15Å; F207-L334 HydrophobicContact CB-CD1 4.39Å; F207-L334 HydrophobicContact CD1-CB 3.86Å; F207-L334 HydrophobicContact CD1-CD1 3.85Å; F207-L334 HydrophobicContact CD1-CG 4.41Å; F207-L334 HydrophobicContact CD2-CB 3.51Å; F207-L334 HydrophobicContact CE1-CB 4.06Å; F207-L334 HydrophobicContact CE1-CD1 4.32Å; F207-L334 VanDerWaalsContact CE2-C 3.41Å; F207-L334 HydrophobicContact CE2-CB 3.72Å; F207-L334 WeakPolarHBondContact CE2-O 2.95Å; F207-L334 HydrophobicContact CG-CB 3.58Å; F207-L334 HydrophobicContact CG-CD1 4.16Å; F207-L334 HydrophobicContact CZ-CB 3.99Å; T211-L334 HydrophobicContact CG2-CD1 3.83Å; T330-L334 HydrophobicContact CG2-CD1 4.06Å; T330-L334 HydrophobicContact CG2-CG 4.26Å; T330-L334 WeakPolarHBondContact O-CG 3.39Å; T330-L334 PolarHBondContact O-N 3.44Å; S331-L334 PolarHBondContact O-N 2.67Å; N332-L334 PolarHBondContact O-N 2.89Å; L334-W336 PolarHBondContact O-N 2.74Å; L334-T337 PolarHBondContact O-N 3.28Å; L334-T338 PolarHBondContact O-N 3.3Å; L334-T338 PolarHBondContact O-OG1 3.18Å; L334-A474 HydrophobicContact CD2-CB 4.34Å; L334-V477 HydrophobicContact CD1-CB 4.31Å; L334-V477 HydrophobicContact CD1-CG1 4.07Å; L334-V477 HydrophobicContact CD1-CG2 4.32Å; L334-V477 HydrophobicContact CD2-CB 3.98Å; L334-V477 HydrophobicContact CD2-CG1 3.92Å; L334-L478 HydrophobicContact CD2-CD1 4.43Å; L334-L478 HydrophobicContact CD2-CD2 4.24Å; L334-L478 HydrophobicContact CD2-CG 3.95Å
335	A	98.4	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-52.2	177.5	0	0	0	0	0	111.3	F207 S331 N332 T337 T338 M339 L510	F207-A335 HydrophobicContact CD2-CB 4.12Å; F207-A335 VanDerWaalsContact CD2-N 3.33Å; S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 3.31Å; N332-A335 PolarHBondContact O-N 3.4Å; A335-T337 VanDerWaalsContact C-N 3.32Å; A335-T337 PolarHBondContact O-N 3.34Å; A335-T338 PolarHBondContact O-N 3.32Å; A335-M339 PolarHBondContact O-N 2.96Å; A335-L510 HydrophobicContact CB-CD2 4.06Å; A335-L510 WeakPolarHBondContact O-CD2 3.41Å
336	W	98.3	Very high	97.3	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-36.6	179.8	-64.9	127	0	0	0	112.9	N332 L334 M339 L340 Y387 H496 P498 I504 P506	N332-W336 PolarHBondContact O-N 3.41Å; L334-W336 PolarHBondContact O-N 2.74Å; W336-M339 HydrophobicContact CE3-CE 4.06Å; W336-M339 HydrophobicContact CE3-SD 3.73Å; W336-M339 HydrophobicContact CZ3-CE 4.42Å; W336-M339 HydrophobicContact CZ3-SD 3.7Å; W336-M339 WeakPolarHBondContact O-CB 3.5Å; W336-M339 PolarHBondContact O-N 2.82Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.04Å; W336-L340 PolarHBondContact O-N 3.39Å; W336-Y387 HydrophobicContact CB-CD2 4.48Å; W336-Y387 HydrophobicContact CB-CG 4.05Å; W336-Y387 AromaticContact CD2-CD1 3.56Å; W336-Y387 HydrophobicContact CD2-CD1 3.56Å; W336-Y387 HydrophobicContact CD2-CE1 4.34Å; W336-Y387 AromaticContact CD2-CG 3.83Å; W336-Y387 HydrophobicContact CD2-CG 3.83Å; W336-Y387 AromaticContact CE2-CD1 3.84Å; W336-Y387 AromaticContact CE3-CD1 3.57Å; W336-Y387 HydrophobicContact CE3-CD1 3.57Å; W336-Y387 AromaticContact CE3-CE1 3.89Å; W336-Y387 HydrophobicContact CE3-CE1 3.89Å; W336-Y387 HydrophobicContact CE3-CG 4.07Å; W336-Y387 HydrophobicContact CG-CD1 4.07Å; W336-Y387 AromaticContact CG-CG 3.84Å; W336-Y387 HydrophobicContact CG-CG 3.84Å; W336-Y387 HydrophobicContact CH2-CD1 4.17Å; W336-Y387 HydrophobicContact CH2-CE1 4.32Å; W336-Y387 HydrophobicContact CZ2-CD1 4.11Å; W336-Y387 AromaticContact CZ3-CD1 3.91Å; W336-Y387 HydrophobicContact CZ3-CD1 3.91Å; W336-Y387 AromaticContact CZ3-CE1 3.9Å; W336-Y387 HydrophobicContact CZ3-CE1 3.9Å; W336-H496 AromaticContact CZ3-CE1 3.82Å; W336-P498 HydrophobicContact CH2-CB 3.9Å; W336-P498 HydrophobicContact CH2-CG 3.74Å; W336-P498 HydrophobicContact CZ2-CB 4.11Å; W336-P498 HydrophobicContact CZ2-CG 4.4Å; W336-P498 HydrophobicContact CZ3-CG 4.38Å; W336-I504 HydrophobicContact CZ2-CG2 4.06Å; W336-I504 PolarHBondContact NE1-O 2.91Å; W336-I504 VanDerWaalsContact NE1-O 3.09Å; W336-P506 HydrophobicContact CE3-CG 4.47Å; W336-P506 HydrophobicContact CH2-CB 4.18Å; W336-P506 HydrophobicContact CH2-CG 3.77Å; W336-P506 VanDerWaalsContact CZ2-CD 3.48Å; W336-P506 HydrophobicContact CZ2-CG 3.91Å; W336-P506 VanDerWaalsContact CZ2-N 3.34Å; W336-P506 HydrophobicContact CZ3-CG 4.07Å
337	T	98.7	Very high	97.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.5	-55.8	0	0	0	0	111.4	L333 L334 A335 M339 L340 L341 V379 S383 L478	L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 2.93Å; L333-T337 PolarHBondContact O-OG1 3.04Å; L334-T337 PolarHBondContact O-N 3.28Å; A335-T337 VanDerWaalsContact C-N 3.32Å; A335-T337 PolarHBondContact O-N 3.34Å; T337-M339 VanDerWaalsContact C-N 3.35Å; T337-M339 PolarHBondContact O-N 2.73Å; T337-L340 PolarHBondContact O-N 3.12Å; T337-L341 HydrophobicContact CG2-CD1 4.08Å; T337-L341 HydrophobicContact CG2-CG 4.38Å; T337-L341 WeakPolarHBondContact O-CB 2.93Å; T337-L341 WeakPolarHBondContact O-CG 3.17Å; T337-L341 PolarHBondContact O-N 2.79Å; T337-V379 HydrophobicContact CG2-CG1 3.81Å; T337-S383 VanDerWaalsContact OG1-CB 3.23Å; T337-S383 WeakPolarHBondContact OG1-CB 3.45Å; T337-S383 PolarHBondContact OG1-OG 3.08Å; T337-L478 HydrophobicContact CG2-CD1 3.68Å; T337-L478 HydrophobicContact CG2-CD2 4.18Å
338	T	98.6	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-42.3	174	-66.6	0	0	0	0	111.9	M203 F207 L334 A335 L340 L341 S342 F487 V512	M203-T338 HydrophobicContact CB-CG2 4.48Å; M203-T338 HydrophobicContact CE-CG2 4.03Å; M203-T338 HydrophobicContact CG-CG2 3.99Å; F207-T338 VanDerWaalsContact CE2-OG1 3.29Å; F207-T338 WeakPolarHBondContact CE2-OG1 3.44Å; F207-T338 WeakPolarHBondContact CZ-OG1 3.46Å; L334-T338 PolarHBondContact O-N 3.3Å; L334-T338 PolarHBondContact O-OG1 3.18Å; A335-T338 PolarHBondContact O-N 3.32Å; T338-L340 VanDerWaalsContact C-N 3.33Å; T338-L340 PolarHBondContact O-N 2.75Å; T338-L341 PolarHBondContact O-N 3.39Å; T338-S342 WeakPolarHBondContact O-CB 3.34Å; T338-S342 PolarHBondContact O-N 3.42Å; T338-S342 PolarHBondContact O-OG 2.97Å; T338-F487 HydrophobicContact CG2-CD1 3.86Å; T338-F487 HydrophobicContact CG2-CD2 4.21Å; T338-F487 HydrophobicContact CG2-CE1 3.72Å; T338-F487 HydrophobicContact CG2-CE2 4.07Å; T338-F487 HydrophobicContact CG2-CG 4.1Å; T338-F487 HydrophobicContact CG2-CZ 3.82Å; T338-V512 HydrophobicContact CG2-CG2 4.22Å
339	M	98.1	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.6	-49.1	175.6	-175.3	-159.7	74.9	0	0	110.7	A335 W336 T337 L341 S342 L343 Y387 L490 Y494 H496 L510	A335-M339 PolarHBondContact O-N 2.96Å; W336-M339 HydrophobicContact CE3-CE 4.06Å; W336-M339 HydrophobicContact CE3-SD 3.73Å; W336-M339 HydrophobicContact CZ3-CE 4.42Å; W336-M339 HydrophobicContact CZ3-SD 3.7Å; W336-M339 WeakPolarHBondContact O-CB 3.5Å; W336-M339 PolarHBondContact O-N 2.82Å; T337-M339 VanDerWaalsContact C-N 3.35Å; T337-M339 PolarHBondContact O-N 2.73Å; M339-L341 PolarHBondContact O-N 3.34Å; M339-S342 WeakPolarHBondContact O-CB 3.35Å; M339-S342 PolarHBondContact O-N 3Å; M339-L343 HydrophobicContact CG-CD1 4.41Å; M339-L343 WeakPolarHBondContact O-CG 3.09Å; M339-L343 PolarHBondContact O-N 3.08Å; M339-L343 VanDerWaalsContact O-N 3.15Å; M339-Y387 HydrophobicContact CE-CD2 4.47Å; M339-Y387 HydrophobicContact CE-CE1 4.23Å; M339-Y387 HydrophobicContact CE-CE2 3.77Å; M339-L490 HydrophobicContact CG-CD1 4.12Å; M339-L490 HydrophobicContact CG-CD2 4.07Å; M339-Y494 HydrophobicContact SD-CE1 4.43Å; M339-Y494 PolarHBondContact SD-OH 2.93Å; M339-H496 PolarHBondContact SD-CE1 3.48Å; M339-L510 HydrophobicContact CB-CD1 3.8Å; M339-L510 HydrophobicContact CB-CD2 3.91Å; M339-L510 HydrophobicContact CG-CD1 3.85Å
340	L	98.3	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-44.4	178.7	-70.1	165.3	0	0	0	111.6	N75 W336 T337 T338 S342 L343 H344 S383 L386 Y387 F435	N75-L340 WeakPolarHBondContact OD1-CD2 3.29Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.04Å; W336-L340 PolarHBondContact O-N 3.39Å; T337-L340 PolarHBondContact O-N 3.12Å; T338-L340 VanDerWaalsContact C-N 3.33Å; T338-L340 PolarHBondContact O-N 2.75Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.21Å; L340-L343 PolarHBondContact O-N 2.99Å; L340-H344 WeakPolarHBondContact O-CB 3.32Å; L340-H344 PolarHBondContact O-CD2 3.16Å; L340-H344 VanDerWaalsContact O-CD2 3.24Å; L340-H344 PolarHBondContact O-N 3.2Å; L340-S383 WeakPolarHBondContact CD1-OG 3.25Å; L340-L386 HydrophobicContact CD2-CD1 4.39Å; L340-Y387 HydrophobicContact CD1-CD2 4.23Å; L340-Y387 HydrophobicContact CD2-CE2 4.19Å; L340-F435 HydrophobicContact CB-CD2 4.19Å; L340-F435 HydrophobicContact CB-CE2 4.03Å; L340-F435 HydrophobicContact CB-CZ 4.3Å; L340-F435 HydrophobicContact CD1-CD2 3.79Å; L340-F435 HydrophobicContact CD1-CE2 3.8Å; L340-F435 HydrophobicContact CD2-CB 4.1Å; L340-F435 HydrophobicContact CD2-CD2 3.77Å; L340-F435 HydrophobicContact CD2-CE2 4.43Å; L340-F435 HydrophobicContact CD2-CG 4.04Å; L340-F435 HydrophobicContact CG-CD2 4.13Å; L340-F435 HydrophobicContact CG-CE2 4.3Å
341	L	98.5	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.7	-25.7	177.6	-68.9	177	0	0	0	113.7	T337 T338 M339 L343 H344 Q345 W347 Q348 L351 V379 L478 L482 F487	T337-L341 HydrophobicContact CG2-CD1 4.08Å; T337-L341 HydrophobicContact CG2-CG 4.38Å; T337-L341 WeakPolarHBondContact O-CB 2.93Å; T337-L341 WeakPolarHBondContact O-CG 3.17Å; T337-L341 PolarHBondContact O-N 2.79Å; T338-L341 PolarHBondContact O-N 3.39Å; M339-L341 PolarHBondContact O-N 3.34Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-H344 CarbonylContact O-C 3.55Å; L341-Q345 PolarHBondContact O-NE2 3.29Å; L341-W347 HydrophobicContact CD2-CB 4.16Å; L341-Q348 PolarHBondContact O-NE2 2.99Å; L341-L351 HydrophobicContact CD1-CD1 3.99Å; L341-L351 HydrophobicContact CD2-CD1 3.77Å; L341-V379 HydrophobicContact CD2-CG1 4.19Å; L341-L478 HydrophobicContact CD1-CD2 4.48Å; L341-L482 HydrophobicContact CD1-CD1 4.33Å; L341-F487 HydrophobicContact CB-CD2 3.98Å; L341-F487 HydrophobicContact CB-CE2 4.36Å; L341-F487 HydrophobicContact CD1-CE2 4.21Å
342	S	97.6	Very high	98.2	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.049	10%	0.097	C	C	.	.	H	α-helix	trans	-71.9	-32.1	173.2	-55.9	0	0	0	0	111.6	T338 M339 L340 Q345 F487	T338-S342 WeakPolarHBondContact O-CB 3.34Å; T338-S342 PolarHBondContact O-N 3.42Å; T338-S342 PolarHBondContact O-OG 2.97Å; M339-S342 WeakPolarHBondContact O-CB 3.35Å; M339-S342 PolarHBondContact O-N 3Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.21Å; S342-Q345 PolarHBondContact O-NE2 3.38Å; S342-F487 WeakPolarHBondContact OG-CB 2.77Å
343	L	97	Very high	98.2	Very high	66 Å²	66	26.8 Å²	26.8	35%	0.346	13%	0.128	S	C	.	.	H	α-helix	trans	-85.4	-24.6	176.7	-65.4	172.2	0	0	0	112.9	P72 M339 L340 L341 L490	P72-L343 HydrophobicContact CB-CD1 4.17Å; P72-L343 HydrophobicContact CB-CD2 4.43Å; P72-L343 VanDerWaalsContact O-CD1 3.27Å; P72-L343 WeakPolarHBondContact O-CD1 3.5Å; M339-L343 HydrophobicContact CG-CD1 4.41Å; M339-L343 WeakPolarHBondContact O-CG 3.09Å; M339-L343 PolarHBondContact O-N 3.08Å; M339-L343 VanDerWaalsContact O-N 3.15Å; L340-L343 PolarHBondContact O-N 2.99Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L343-L490 HydrophobicContact CD1-CD1 4.2Å; L343-L490 HydrophobicContact CD2-CD1 3.75Å; L343-L490 HydrophobicContact CD2-CG 4.23Å; L343-L490 HydrophobicContact CG-CD1 4Å; L343-L490 HydrophobicContact CG-CG 4.48Å
344	H	97.7	Very high	98.2	Very high	53 Å²	53	27.8 Å²	27.8	25%	0.245	13%	0.132	C	C	.	.			trans	-119.8	72.4	-176.2	-65.2	-77	0	0	0	111.5	L340 L341 D346 W347 Q348 F435	L340-H344 WeakPolarHBondContact O-CB 3.32Å; L340-H344 PolarHBondContact O-CD2 3.16Å; L340-H344 VanDerWaalsContact O-CD2 3.24Å; L340-H344 PolarHBondContact O-N 3.2Å; L341-H344 CarbonylContact O-C 3.55Å; H344-D346 PolarHBondContact O-N 3.23Å; H344-W347 HydrophobicContact CB-CB 4.27Å; H344-W347 WeakPolarHBondContact O-CB 3.42Å; H344-W347 PolarHBondContact O-N 3.32Å; H344-Q348 PolarHBondContact O-N 3.06Å; H344-Q348 VanDerWaalsContact O-N 3.16Å; H344-F435 HydrophobicContact CB-CD1 4.09Å; H344-F435 HydrophobicContact CB-CE1 4.14Å; H344-F435 AromaticContact CD2-CD1 3.39Å; H344-F435 WeakPolarHBondContact CD2-CD1 3.45Å; H344-F435 AromaticContact CD2-CG 3.86Å; H344-F435 AromaticContact CG-CD1 3.6Å; H344-F435 WeakPolarHBondContact NE2-CB 3.34Å; H344-F435 AromaticContact NE2-CD1 3.84Å
345	Q	97.7	Very high	98.2	Very high	57 Å²	57	27.8 Å²	27.8	27%	0.266	13%	0.132	S	C	.	.	H	α-helix	trans	-58.7	-31.6	-178.7	-63.4	-62.2	-47.8	0	0	113	L341 S342 W347 Q348 E349 F487 I488	L341-Q345 PolarHBondContact O-NE2 3.29Å; S342-Q345 PolarHBondContact O-NE2 3.38Å; Q345-W347 VanDerWaalsContact C-N 3.3Å; Q345-W347 PolarHBondContact O-N 3.03Å; Q345-Q348 WeakPolarHBondContact O-CB 3.3Å; Q345-Q348 PolarHBondContact O-N 3.36Å; Q345-Q348 VanDerWaalsContact O-N 3.13Å; Q345-E349 PolarHBondContact O-N 3.39Å; Q345-F487 PolarHBondContact NE2-O 2.89Å; Q345-F487 PolarHBondContact OE1-O 3.42Å; Q345-F487 VanDerWaalsContact OE1-O 3.11Å; Q345-I488 PolarHBondContact NE2-O 3.42Å
346	D	98.1	Very high	98.1	Very high	75 Å²	75	31 Å²	31	40%	0.401	15%	0.146	S	C	.	.	H	α-helix	trans	-61.9	-38.9	176.3	75	-61.7	0	0	0	112	H344 K350	H344-D346 PolarHBondContact O-N 3.23Å; D346-K350 WeakPolarHBondContact O-CD 3.2Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.36Å; D346-K350 PolarHBondContact O-N 3.49Å; D346-K350 VanDerWaalsContact O-N 3.1Å; D346-K350 IonicContact OD2-NZ 2.87Å; D346-K350 PolarHBondContact OD2-NZ 3.22Å
347	W	98.4	Very high	98	Very high	17 Å²	17	38.7 Å²	38.7	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-37	173.6	-82.1	97	0	0	0	111.7	L341 H344 Q345 E349 K350 L351 L375 V379 F435 P437 M438	L341-W347 HydrophobicContact CD2-CB 4.16Å; H344-W347 HydrophobicContact CB-CB 4.27Å; H344-W347 WeakPolarHBondContact O-CB 3.42Å; H344-W347 PolarHBondContact O-N 3.32Å; Q345-W347 VanDerWaalsContact C-N 3.3Å; Q345-W347 PolarHBondContact O-N 3.03Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 2.88Å; W347-K350 HydrophobicContact CD2-CD 4.43Å; W347-K350 HydrophobicContact CE3-CD 4.29Å; W347-K350 PolarHBondContact O-N 2.92Å; W347-L351 WeakPolarHBondContact O-CB 3.04Å; W347-L351 VanDerWaalsContact O-CG 3.27Å; W347-L351 WeakPolarHBondContact O-CG 3.17Å; W347-L351 PolarHBondContact O-N 3.34Å; W347-L375 HydrophobicContact CZ3-CD2 4.41Å; W347-V379 HydrophobicContact CD2-CG2 4.33Å; W347-V379 HydrophobicContact CE3-CG2 3.68Å; W347-V379 HydrophobicContact CZ3-CG2 4.2Å; W347-F435 HydrophobicContact CB-CE1 4.22Å; W347-F435 AromaticContact CD1-CE1 3.75Å; W347-F435 HydrophobicContact CD2-CE1 4.4Å; W347-F435 AromaticContact CG-CE1 3.83Å; W347-F435 HydrophobicContact CG-CE1 3.83Å; W347-P437 HydrophobicContact CD2-CB 4.36Å; W347-P437 HydrophobicContact CD2-CG 3.75Å; W347-P437 VanDerWaalsContact CE2-CD 3.5Å; W347-P437 HydrophobicContact CE3-CB 4.16Å; W347-P437 HydrophobicContact CE3-CG 3.97Å; W347-P437 HydrophobicContact CG-CG 4.42Å; W347-P437 HydrophobicContact CH2-CB 3.53Å; W347-P437 HydrophobicContact CH2-CG 3.95Å; W347-P437 HydrophobicContact CZ2-CB 3.72Å; W347-P437 HydrophobicContact CZ2-CG 3.7Å; W347-P437 HydrophobicContact CZ3-CB 3.75Å; W347-P437 HydrophobicContact CZ3-CG 4.06Å; W347-M438 HydrophobicContact CH2-CG 3.84Å; W347-M438 HydrophobicContact CH2-SD 4Å; W347-M438 HydrophobicContact CZ2-CG 3.89Å
348	Q	98.5	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-44	174.7	-157.9	-171.1	138.8	0	0	111.9	L341 H344 Q345 L351 R352 L482 R486 F487	L341-Q348 PolarHBondContact O-NE2 2.99Å; H344-Q348 PolarHBondContact O-N 3.06Å; H344-Q348 VanDerWaalsContact O-N 3.16Å; Q345-Q348 WeakPolarHBondContact O-CB 3.3Å; Q345-Q348 PolarHBondContact O-N 3.36Å; Q345-Q348 VanDerWaalsContact O-N 3.13Å; Q348-L351 PolarHBondContact O-N 2.83Å; Q348-R352 WeakPolarHBondContact O-CB 3.27Å; Q348-R352 PolarHBondContact O-N 2.79Å; Q348-L482 HydrophobicContact CG-CD2 3.58Å; Q348-R486 VanDerWaalsContact OE1-CA 3.22Å; Q348-F487 PolarHBondContact NE2-O 3.43Å
349	E	98.2	Very high	97.8	Very high	55 Å²	55	41.8 Å²	41.8	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-47.2	175.4	-63.1	-40.2	116.1	0	0	112.2	Q345 W347 L351 R352 E353 R486	Q345-E349 PolarHBondContact O-N 3.39Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 2.88Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.88Å; E349-R352 WeakPolarHBondContact O-CA 3.43Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 3.39Å; E349-R352 IonicContact OE1-CZ 2.8Å; E349-R352 IonicContact OE1-NH1 2.68Å; E349-R352 PolarHBondContact OE1-NH1 2.95Å; E349-R352 IonicContact OE2-NH1 2.81Å; E349-R352 PolarHBondContact OE2-NH1 3.34Å; E349-E353 WeakPolarHBondContact O-CG 3.26Å; E349-E353 PolarHBondContact O-N 3.21Å; E349-R486 VanDerWaalsContact CD-NH2 3.29Å; E349-R486 IonicContact OE1-CZ 2.75Å; E349-R486 IonicContact OE1-NH1 3.39Å; E349-R486 PolarHBondContact OE1-NH1 2.82Å; E349-R486 IonicContact OE1-NH2 3.31Å; E349-R486 PolarHBondContact OE1-NH2 2.78Å; E349-R486 IonicContact OE2-CZ 3.16Å; E349-R486 IonicContact OE2-NH2 3.46Å; E349-R486 PolarHBondContact OE2-NH2 2.79Å
350	K	98.5	Very high	97.6	Very high	80 Å²	80	42.9 Å²	42.9	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-41.4	177.3	-72.7	165.2	-173.1	157.7	0	112.2	D346 W347 E354 L375	D346-K350 WeakPolarHBondContact O-CD 3.2Å; D346-K350 VanDerWaalsContact O-CG 3.27Å; D346-K350 WeakPolarHBondContact O-CG 3.36Å; D346-K350 PolarHBondContact O-N 3.49Å; D346-K350 VanDerWaalsContact O-N 3.1Å; D346-K350 IonicContact OD2-NZ 2.87Å; D346-K350 PolarHBondContact OD2-NZ 3.22Å; W347-K350 HydrophobicContact CD2-CD 4.43Å; W347-K350 HydrophobicContact CE3-CD 4.29Å; W347-K350 PolarHBondContact O-N 2.92Å; K350-E354 PolarHBondContact O-N 3.24Å; K350-L375 HydrophobicContact CB-CD1 4.17Å
351	L	98.5	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-42.3	175.2	-70.7	-171.6	0	0	0	111.2	L341 W347 Q348 E349 E354 I355 L375 M376 V379 L482	L341-L351 HydrophobicContact CD1-CD1 3.99Å; L341-L351 HydrophobicContact CD2-CD1 3.77Å; W347-L351 WeakPolarHBondContact O-CB 3.04Å; W347-L351 VanDerWaalsContact O-CG 3.27Å; W347-L351 WeakPolarHBondContact O-CG 3.17Å; W347-L351 PolarHBondContact O-N 3.34Å; Q348-L351 PolarHBondContact O-N 2.83Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 2.88Å; L351-E354 PolarHBondContact O-N 2.97Å; L351-I355 WeakPolarHBondContact O-CB 3.41Å; L351-I355 VanDerWaalsContact O-CD1 3.31Å; L351-I355 WeakPolarHBondContact O-CD1 3.2Å; L351-I355 WeakPolarHBondContact O-CG1 3.48Å; L351-I355 PolarHBondContact O-N 3.44Å; L351-L375 VanDerWaalsContact CD2-C 3.42Å; L351-L375 HydrophobicContact CD2-CB 3.72Å; L351-M376 HydrophobicContact CD1-CE 4.01Å; L351-M376 HydrophobicContact CD1-SD 4.05Å; L351-M376 VanDerWaalsContact CD2-CA 3.47Å; L351-M376 HydrophobicContact CD2-CB 4.14Å; L351-V379 HydrophobicContact CD1-CB 4.3Å; L351-V379 HydrophobicContact CD1-CG1 4.23Å; L351-V379 HydrophobicContact CD1-CG2 4.05Å; L351-V379 HydrophobicContact CD2-CG2 4.06Å; L351-V379 HydrophobicContact CG-CG2 4.27Å; L351-L482 HydrophobicContact CB-CD1 3.81Å; L351-L482 HydrophobicContact CD1-CD1 3.89Å
352	R	97.9	Very high	96.8	Very high	12 Å²	12	55.5 Å²	55.5	5%	0.045	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-43.3	177.5	-172.7	176	-63.5	104	0.7	112	Q348 E349 I355 F356 L482 F485	Q348-R352 WeakPolarHBondContact O-CB 3.27Å; Q348-R352 PolarHBondContact O-N 2.79Å; E349-R352 WeakPolarHBondContact O-CA 3.43Å; E349-R352 WeakPolarHBondContact O-CB 3.45Å; E349-R352 PolarHBondContact O-N 3.39Å; E349-R352 IonicContact OE1-CZ 2.8Å; E349-R352 IonicContact OE1-NH1 2.68Å; E349-R352 PolarHBondContact OE1-NH1 2.95Å; E349-R352 IonicContact OE2-NH1 2.81Å; E349-R352 PolarHBondContact OE2-NH1 3.34Å; R352-I355 PolarHBondContact O-N 3.22Å; R352-F356 HydrophobicContact CG-CD1 4.37Å; R352-F356 HydrophobicContact CG-CD2 4.09Å; R352-F356 HydrophobicContact CG-CE1 3.98Å; R352-F356 HydrophobicContact CG-CE2 3.67Å; R352-F356 HydrophobicContact CG-CG 4.43Å; R352-F356 HydrophobicContact CG-CZ 3.61Å; R352-F356 WeakPolarHBondContact O-CB 3.39Å; R352-F356 WeakPolarHBondContact O-CG 3.2Å; R352-F356 PolarHBondContact O-N 3.42Å; R352-L482 PolarHBondContact NE-O 3.26Å; R352-F485 PolarHBondContact NH2-O 3.46Å
353	E	98.1	Very high	96.6	Very high	136 Å²	136	60.6 Å²	60.6	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-59.6	-46.6	173.7	-71	174.7	-175.9	0	0	111.7	E349 I355 F356 K357	E349-E353 WeakPolarHBondContact O-CG 3.26Å; E349-E353 PolarHBondContact O-N 3.21Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 3.15Å; E353-F356 PolarHBondContact O-N 2.96Å; E353-K357 WeakPolarHBondContact O-CB 3.47Å; E353-K357 PolarHBondContact O-N 3.37Å
354	E	98.2	Very high	96.4	Very high	23 Å²	23	60 Å²	60	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-44.7	174.9	-179.6	176.8	-110.7	0	0	111.4	K350 L351 K357 E358 L373 K374 L375 M376	K350-E354 PolarHBondContact O-N 3.24Å; L351-E354 PolarHBondContact O-N 2.97Å; E354-K357 PolarHBondContact O-N 3.04Å; E354-E358 HydrophobicContact CG-CG 4.39Å; E354-E358 WeakPolarHBondContact O-CB 3.29Å; E354-E358 WeakPolarHBondContact O-CG 3.3Å; E354-E358 PolarHBondContact O-N 3.34Å; E354-L373 HydrophobicContact CG-CD2 3.88Å; E354-L373 WeakPolarHBondContact OE2-CA 3.49Å; E354-K374 PolarHBondContact OE1-N 3.49Å; E354-K374 PolarHBondContact OE2-N 3.49Å; E354-L375 HydrophobicContact CB-CD1 4.35Å; E354-L375 VanDerWaalsContact CD-N 3.34Å; E354-L375 WeakPolarHBondContact OE1-CG 3.45Å; E354-L375 PolarHBondContact OE1-N 3.49Å; E354-L375 WeakPolarHBondContact OE2-CB 3.31Å; E354-L375 PolarHBondContact OE2-N 2.67Å; E354-L375 VanDerWaalsContact OE2-N 3.15Å; E354-M376 PolarHBondContact OE2-N 2.76Å
355	I	97.9	Very high	96.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-48.3	179.6	-71.8	160.7	0	0	0	111.4	L351 R352 E353 K357 E358 C359 G360 L373 M376 T479 L482 Q483	L351-I355 WeakPolarHBondContact O-CB 3.41Å; L351-I355 VanDerWaalsContact O-CD1 3.31Å; L351-I355 WeakPolarHBondContact O-CD1 3.2Å; L351-I355 WeakPolarHBondContact O-CG1 3.48Å; L351-I355 PolarHBondContact O-N 3.44Å; R352-I355 PolarHBondContact O-N 3.22Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 3.15Å; I355-K357 VanDerWaalsContact C-N 3.25Å; I355-K357 PolarHBondContact O-N 2.75Å; I355-E358 PolarHBondContact O-N 2.96Å; I355-C359 HydrophobicContact CG2-CB 4.34Å; I355-C359 WeakPolarHBondContact O-CA 3.22Å; I355-C359 WeakPolarHBondContact O-CB 3.46Å; I355-C359 PolarHBondContact O-N 3.18Å; I355-G360 PolarHBondContact O-N 3.24Å; I355-G360 VanDerWaalsContact O-N 3.11Å; I355-L373 HydrophobicContact CG1-CD2 4.24Å; I355-M376 HydrophobicContact CD1-CE 3.85Å; I355-M376 HydrophobicContact CG1-CE 4.47Å; I355-T479 HydrophobicContact CD1-CG2 4.41Å; I355-T479 HydrophobicContact CG1-CG2 4.1Å; I355-T479 HydrophobicContact CG2-CG2 3.72Å; I355-L482 HydrophobicContact CD1-CB 3.67Å; I355-L482 HydrophobicContact CD1-CD1 3.86Å; I355-L482 HydrophobicContact CD1-CG 4.4Å; I355-Q483 HydrophobicContact CG2-CG 3.55Å
356	F	96.7	Very high	95.9	Very high	67 Å²	67	57.3 Å²	57.3	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-35.4	-179.8	-72.2	-6.7	0	0	0	111.9	R352 E353 G360 K361 Q483 L517	R352-F356 HydrophobicContact CG-CD1 4.37Å; R352-F356 HydrophobicContact CG-CD2 4.09Å; R352-F356 HydrophobicContact CG-CE1 3.98Å; R352-F356 HydrophobicContact CG-CE2 3.67Å; R352-F356 HydrophobicContact CG-CG 4.43Å; R352-F356 HydrophobicContact CG-CZ 3.61Å; R352-F356 WeakPolarHBondContact O-CB 3.39Å; R352-F356 WeakPolarHBondContact O-CG 3.2Å; R352-F356 PolarHBondContact O-N 3.42Å; E353-F356 PolarHBondContact O-N 2.96Å; F356-G360 VanDerWaalsContact O-CA 3.27Å; F356-G360 WeakPolarHBondContact O-CA 3.35Å; F356-G360 PolarHBondContact O-N 3.48Å; F356-K361 HydrophobicContact CD1-CB 4.48Å; F356-K361 HydrophobicContact CD1-CG 3.93Å; F356-K361 HydrophobicContact CD2-CG 4.29Å; F356-K361 HydrophobicContact CE1-CB 4.32Å; F356-K361 HydrophobicContact CE1-CG 3.86Å; F356-K361 HydrophobicContact CE2-CG 4.24Å; F356-K361 HydrophobicContact CG-CG 4.14Å; F356-K361 HydrophobicContact CZ-CG 4.02Å; F356-Q483 HydrophobicContact CE1-CG 4.47Å; F356-L517 HydrophobicContact CZ-CD1 4.35Å
357	K	96.9	Very high	95.2	Very high	164 Å²	164	56.4 Å²	56.4	71%	0.713	27%	0.273	S	S	*	.	H	α-helix	trans	-69.7	-47.6	176.3	-176.8	-173.6	171.5	-156.3	0	112.8	E353 E354 I355	E353-K357 WeakPolarHBondContact O-CB 3.47Å; E353-K357 PolarHBondContact O-N 3.37Å; E354-K357 PolarHBondContact O-N 3.04Å; I355-K357 VanDerWaalsContact C-N 3.25Å; I355-K357 PolarHBondContact O-N 2.75Å
358	E	96.8	Very high	94.6	Very high	56 Å²	56	61 Å²	61	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-95.1	-25.1	-168.2	-56.2	-60	156.1	0	0	113.5	E354 I355 K372 L373	E354-E358 HydrophobicContact CG-CG 4.39Å; E354-E358 WeakPolarHBondContact O-CB 3.29Å; E354-E358 WeakPolarHBondContact O-CG 3.3Å; E354-E358 PolarHBondContact O-N 3.34Å; I355-E358 PolarHBondContact O-N 2.96Å; E358-K372 HydrophobicContact CB-CB 4.12Å; E358-K372 HydrophobicContact CG-CB 4.02Å; E358-K372 WeakPolarHBondContact OE2-CD 3.48Å; E358-L373 HydrophobicContact CB-CD2 4.22Å
359	C	95.5	Very high	94.2	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.068	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-36.6	179.7	-164.4	0	0	0	0	112.4	I355 K363 T369	I355-C359 HydrophobicContact CG2-CB 4.34Å; I355-C359 WeakPolarHBondContact O-CA 3.22Å; I355-C359 WeakPolarHBondContact O-CB 3.46Å; I355-C359 PolarHBondContact O-N 3.18Å; C359-K363 WeakPolarHBondContact O-CB 3.43Å; C359-K363 PolarHBondContact SG-O 3.21Å; C359-T369 HydrophobicContact CB-CG2 3.58Å
360	G	93.8	Very high	93.8	Very high	23 Å²	23	59 Å²	59	24%	0.237	29%	0.286	C	S	.	.			trans	95.9	172.6	-168.1	0	0	0	0	0	112.5	I355 F356 Q483	I355-G360 PolarHBondContact O-N 3.24Å; I355-G360 VanDerWaalsContact O-N 3.11Å; F356-G360 VanDerWaalsContact O-CA 3.27Å; F356-G360 WeakPolarHBondContact O-CA 3.35Å; F356-G360 PolarHBondContact O-N 3.48Å; G360-Q483 PolarHBondContact O-NE2 3.14Å
361	K	92.3	Very high	93.4	Very high	110 Å²	110	59.3 Å²	59.3	48%	0.478	30%	0.299	S	S	.	.	S	Bend	trans	-72.2	-44.7	-179.8	-71.9	-175.5	166.3	-166.2	0	113	F356 Q483 D519	F356-K361 HydrophobicContact CD1-CB 4.48Å; F356-K361 HydrophobicContact CD1-CG 3.93Å; F356-K361 HydrophobicContact CD2-CG 4.29Å; F356-K361 HydrophobicContact CE1-CB 4.32Å; F356-K361 HydrophobicContact CE1-CG 3.86Å; F356-K361 HydrophobicContact CE2-CG 4.24Å; F356-K361 HydrophobicContact CG-CG 4.14Å; F356-K361 HydrophobicContact CZ-CG 4.02Å; K361-Q483 WeakPolarHBondContact O-CB 3.18Å; K361-Q483 WeakPolarHBondContact O-CG 3.48Å; K361-Q483 PolarHBondContact O-NE2 3.18Å; K361-D519 PolarHBondContact NZ-OXT 2.85Å
362	E	88.4	Confident	93.3	Very high	155 Å²	155	63 Å²	63	72%	0.724	32%	0.315	S	S	*	.	S	Bend	trans	-105.6	-29.4	-170.3	-63.5	-175.5	-177.6	0	0	114.1	R484	E362-R484 PolarHBondContact O-NH2 2.83Å
363	K	92.8	Very high	93.2	Very high	113 Å²	113	62.5 Å²	62.5	49%	0.491	31%	0.313	S	S	.	.	S	Bend	trans	-63.6	136.4	-174.9	-170	-166.6	167.5	-164.1	0	110.3	C359 D366 Q483	C359-K363 WeakPolarHBondContact O-CB 3.43Å; C359-K363 PolarHBondContact SG-O 3.21Å; K363-D366 IonicContact NZ-OD2 2.7Å; K363-D366 PolarHBondContact NZ-OD2 3.09Å; K363-Q483 PolarHBondContact O-NE2 2.85Å
364	T	94.2	Very high	93.2	Very high	53 Å²	53	62.9 Å²	62.9	33%	0.325	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.9	172.5	51.3	0	0	0	0	111.1	V175 L179 M480	V175-T364 HydrophobicContact CG1-CG2 3.55Å; L179-T364 HydrophobicContact CD1-CG2 4.42Å; T364-M480 HydrophobicContact CG2-CE 4.49Å
365	P	94.2	Very high	93.2	Very high	4 Å²	4	64 Å²	64	3%	0.026	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.5	146.6	-177.9	31.9	-36.6	0	0	0	111.5	T369 F370 T476 T479 M480	P365-T369 HydrophobicContact CB-CG2 4.02Å; P365-F370 HydrophobicContact CB-CD1 4.36Å; P365-F370 HydrophobicContact CB-CE1 3.53Å; P365-F370 HydrophobicContact CB-CZ 3.93Å; P365-F370 HydrophobicContact CG-CE1 3.9Å; P365-F370 HydrophobicContact CG-CZ 4.11Å; P365-T476 HydrophobicContact CG-CG2 4.23Å; P365-T479 HydrophobicContact CB-CG2 4.05Å; P365-T479 HydrophobicContact CG-CG2 4.12Å; P365-M480 HydrophobicContact CG-CG 4.06Å; P365-M480 HydrophobicContact CG-SD 4.39Å
366	D	90.2	Very high	93.2	Very high	51 Å²	51	64 Å²	64	27%	0.273	32%	0.319	S	S	.	.			trans	-124.3	179.4	177.3	58.6	33.2	0	0	0	111.3	K363 E368 T369 F370	K363-D366 IonicContact NZ-OD2 2.7Å; K363-D366 PolarHBondContact NZ-OD2 3.09Å; D366-E368 PolarHBondContact O-N 3.47Å; D366-E368 PolarHBondContact OD1-N 2.81Å; D366-E368 VanDerWaalsContact OD1-N 3.15Å; D366-T369 PolarHBondContact N-OG1 3.2Å; D366-T369 VanDerWaalsContact O-CB 3.28Å; D366-T369 WeakPolarHBondContact O-CB 3.36Å; D366-T369 PolarHBondContact O-N 2.87Å; D366-T369 VanDerWaalsContact O-N 3.14Å; D366-T369 WeakPolarHBondContact OD1-CB 3.34Å; D366-T369 PolarHBondContact OD1-N 2.95Å; D366-T369 PolarHBondContact OD1-OG1 3.45Å; D366-F370 VanDerWaalsContact O-CD2 3.25Å; D366-F370 WeakPolarHBondContact O-CD2 3.47Å; D366-F370 WeakPolarHBondContact O-CE2 3.37Å; D366-F370 WeakPolarHBondContact O-CG 3.34Å; D366-F370 PolarHBondContact O-N 3.41Å; D366-F370 VanDerWaalsContact O-N 3.13Å
367	S	82.8	Confident	93.3	Very high	55 Å²	55	63.4 Å²	63.4	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-30.6	-178.1	75.2	0	0	0	0	113.9	K168	K168-S367 WeakPolarHBondContact CE-OG 3.36Å
368	E	86.1	Confident	93.4	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-71.7	-44.3	178	-170.4	-175.3	157.8	0	0	109.7	D366 F370 S371 K372	D366-E368 PolarHBondContact O-N 3.47Å; D366-E368 PolarHBondContact OD1-N 2.81Å; D366-E368 VanDerWaalsContact OD1-N 3.15Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 2.96Å; E368-S371 PolarHBondContact O-N 3.04Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.25Å; E368-K372 WeakPolarHBondContact OE1-CE 3.3Å; E368-K372 IonicContact OE1-NZ 2.67Å; E368-K372 PolarHBondContact OE1-NZ 3.34Å
369	T	90	Very high	93.5	Very high	3 Å²	3	54 Å²	54	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-51.3	-50.6	174.8	-51.8	0	0	0	0	110.7	C359 P365 D366 S371 K372 L373	C359-T369 HydrophobicContact CB-CG2 3.58Å; P365-T369 HydrophobicContact CB-CG2 4.02Å; D366-T369 PolarHBondContact N-OG1 3.2Å; D366-T369 VanDerWaalsContact O-CB 3.28Å; D366-T369 WeakPolarHBondContact O-CB 3.36Å; D366-T369 PolarHBondContact O-N 2.87Å; D366-T369 VanDerWaalsContact O-N 3.14Å; D366-T369 WeakPolarHBondContact OD1-CB 3.34Å; D366-T369 PolarHBondContact OD1-N 2.95Å; D366-T369 PolarHBondContact OD1-OG1 3.45Å; T369-S371 PolarHBondContact O-N 3.14Å; T369-S371 VanDerWaalsContact O-N 3.13Å; T369-K372 PolarHBondContact O-N 3.31Å; T369-L373 HydrophobicContact CG2-CD1 4.24Å; T369-L373 HydrophobicContact CG2-CD2 4.48Å; T369-L373 HydrophobicContact CG2-CG 4.26Å; T369-L373 WeakPolarHBondContact O-CG 3.11Å; T369-L373 PolarHBondContact O-N 2.98Å
370	F	90.7	Very high	93.6	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-28.5	-176.6	-57.2	-40.5	0	0	0	114.7	T171 P365 D366 E368 K372 L373 I472 K475 T476	T171-F370 HydrophobicContact CG2-CE2 3.56Å; T171-F370 HydrophobicContact CG2-CZ 3.78Å; P365-F370 HydrophobicContact CB-CD1 4.36Å; P365-F370 HydrophobicContact CB-CE1 3.53Å; P365-F370 HydrophobicContact CB-CZ 3.93Å; P365-F370 HydrophobicContact CG-CE1 3.9Å; P365-F370 HydrophobicContact CG-CZ 4.11Å; D366-F370 VanDerWaalsContact O-CD2 3.25Å; D366-F370 WeakPolarHBondContact O-CD2 3.47Å; D366-F370 WeakPolarHBondContact O-CE2 3.37Å; D366-F370 WeakPolarHBondContact O-CG 3.34Å; D366-F370 PolarHBondContact O-N 3.41Å; D366-F370 VanDerWaalsContact O-N 3.13Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-F370 PolarHBondContact O-N 2.96Å; F370-K372 VanDerWaalsContact C-N 3.28Å; F370-L373 HydrophobicContact CD1-CD1 4.37Å; F370-I472 HydrophobicContact CD2-CG1 4.21Å; F370-I472 HydrophobicContact CD2-CG2 4.02Å; F370-I472 HydrophobicContact CE2-CG2 3.62Å; F370-I472 HydrophobicContact CZ-CG2 4.29Å; F370-K475 HydrophobicContact CB-CD 3.99Å; F370-K475 HydrophobicContact CD1-CB 3.63Å; F370-K475 HydrophobicContact CD1-CD 4.23Å; F370-K475 HydrophobicContact CE1-CB 3.95Å; F370-K475 HydrophobicContact CG-CB 4.39Å; F370-K475 HydrophobicContact CG-CD 4.38Å; F370-K475 PolarHBondContact O-NZ 2.88Å; F370-T476 WeakPolarHBondContact CZ-OG1 3.3Å
371	S	89.6	Confident	93.8	Very high	88 Å²	88	53 Å²	53	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-71.5	-24.9	176.8	75.9	0	0	0	0	112.6	E368 T369	E368-S371 PolarHBondContact O-N 3.04Å; E368-S371 VanDerWaalsContact O-N 3.15Å; E368-S371 PolarHBondContact O-OG 3.25Å; T369-S371 PolarHBondContact O-N 3.14Å; T369-S371 VanDerWaalsContact O-N 3.13Å
372	K	95.7	Very high	94.1	Very high	78 Å²	78	47.8 Å²	47.8	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-91.9	-23.7	-178	-59.5	-178.6	-170.2	167.5	0	113.3	E358 E368 T369 F370 K374	E358-K372 HydrophobicContact CB-CB 4.12Å; E358-K372 HydrophobicContact CG-CB 4.02Å; E358-K372 WeakPolarHBondContact OE2-CD 3.48Å; E368-K372 WeakPolarHBondContact OE1-CE 3.3Å; E368-K372 IonicContact OE1-NZ 2.67Å; E368-K372 PolarHBondContact OE1-NZ 3.34Å; T369-K372 PolarHBondContact O-N 3.31Å; F370-K372 VanDerWaalsContact C-N 3.28Å; K372-K374 VanDerWaalsContact C-N 3.33Å; K372-K374 PolarHBondContact O-N 2.97Å
373	L	97	Very high	94.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.			trans	-72.3	79	177.5	-58.8	179.8	0	0	0	112.3	E354 I355 E358 T369 F370 M376 N377 T479	E354-L373 HydrophobicContact CG-CD2 3.88Å; E354-L373 WeakPolarHBondContact OE2-CA 3.49Å; I355-L373 HydrophobicContact CG1-CD2 4.24Å; E358-L373 HydrophobicContact CB-CD2 4.22Å; T369-L373 HydrophobicContact CG2-CD1 4.24Å; T369-L373 HydrophobicContact CG2-CD2 4.48Å; T369-L373 HydrophobicContact CG2-CG 4.26Å; T369-L373 WeakPolarHBondContact O-CG 3.11Å; T369-L373 PolarHBondContact O-N 2.98Å; F370-L373 HydrophobicContact CD1-CD1 4.37Å; L373-M376 HydrophobicContact CB-CB 3.79Å; L373-N377 PolarHBondContact O-N 3.41Å; L373-T479 WeakPolarHBondContact CD1-OG1 3.23Å
374	K	97.2	Very high	94.9	Very high	144 Å²	144	35.3 Å²	35.3	63%	0.626	19%	0.187	S	C	*	.	H	α-helix	trans	-78.5	-46.1	-176	-69.9	177.3	-177.7	176	0	111.7	E354 K372 M376 N377 M378	E354-K374 PolarHBondContact OE1-N 3.49Å; E354-K374 PolarHBondContact OE2-N 3.49Å; K372-K374 VanDerWaalsContact C-N 3.33Å; K372-K374 PolarHBondContact O-N 2.97Å; K374-M376 VanDerWaalsContact C-N 3.33Å; K374-N377 WeakPolarHBondContact O-CB 3.45Å; K374-N377 PolarHBondContact O-N 2.91Å; K374-M378 HydrophobicContact CB-CE 4.32Å; K374-M378 WeakPolarHBondContact O-CG 3.45Å; K374-M378 PolarHBondContact O-N 3.45Å
375	L	98.5	Very high	95.1	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.246	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-41.2	177.6	-59.3	-178.5	0	0	0	110.4	W347 K350 L351 E354 N377 M378 V379	W347-L375 HydrophobicContact CZ3-CD2 4.41Å; K350-L375 HydrophobicContact CB-CD1 4.17Å; L351-L375 VanDerWaalsContact CD2-C 3.42Å; L351-L375 HydrophobicContact CD2-CB 3.72Å; E354-L375 HydrophobicContact CB-CD1 4.35Å; E354-L375 VanDerWaalsContact CD-N 3.34Å; E354-L375 WeakPolarHBondContact OE1-CG 3.45Å; E354-L375 PolarHBondContact OE1-N 3.49Å; E354-L375 WeakPolarHBondContact OE2-CB 3.31Å; E354-L375 PolarHBondContact OE2-N 2.67Å; E354-L375 VanDerWaalsContact OE2-N 3.15Å; L375-N377 VanDerWaalsContact C-N 3.27Å; L375-N377 PolarHBondContact O-N 3.16Å; L375-M378 HydrophobicContact CD2-CE 4.35Å; L375-M378 HydrophobicContact CD2-SD 4.16Å; L375-M378 WeakPolarHBondContact O-CB 3.2Å; L375-M378 PolarHBondContact O-N 2.72Å; L375-M378 VanDerWaalsContact O-N 3.08Å; L375-V379 PolarHBondContact O-N 2.99Å
376	M	98.3	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-43.7	172.7	-176.2	62.4	74.8	0	0	111.4	L351 E354 I355 L373 K374 M378 V379 I380 K475 L478 L482	L351-M376 HydrophobicContact CD1-CE 4.01Å; L351-M376 HydrophobicContact CD1-SD 4.05Å; L351-M376 VanDerWaalsContact CD2-CA 3.47Å; L351-M376 HydrophobicContact CD2-CB 4.14Å; E354-M376 PolarHBondContact OE2-N 2.76Å; I355-M376 HydrophobicContact CD1-CE 3.85Å; I355-M376 HydrophobicContact CG1-CE 4.47Å; L373-M376 HydrophobicContact CB-CB 3.79Å; K374-M376 VanDerWaalsContact C-N 3.33Å; M376-M378 VanDerWaalsContact C-N 3.34Å; M376-M378 PolarHBondContact O-N 3.01Å; M376-V379 PolarHBondContact O-N 3.39Å; M376-I380 HydrophobicContact CG-CD1 3.93Å; M376-I380 WeakPolarHBondContact O-CG1 3.39Å; M376-I380 PolarHBondContact O-N 3.4Å; M376-I380 HydrophobicContact SD-CD1 4.23Å; M376-I380 HydrophobicContact SD-CG1 4.46Å; M376-K475 HydrophobicContact CG-CG 3.88Å; M376-L478 HydrophobicContact CE-CB 3.75Å; M376-L478 HydrophobicContact SD-CB 3.81Å; M376-L478 HydrophobicContact SD-CD1 3.75Å; M376-L478 HydrophobicContact SD-CG 4.45Å; M376-L482 HydrophobicContact CE-CD1 4.05Å
377	N	97.9	Very high	95.6	Very high	54 Å²	54	30.7 Å²	30.7	29%	0.289	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-43.1	176.3	-170.3	86.7	0	0	0	111.8	L373 K374 L375 I380 M381 M471	L373-N377 PolarHBondContact O-N 3.41Å; K374-N377 WeakPolarHBondContact O-CB 3.45Å; K374-N377 PolarHBondContact O-N 2.91Å; L375-N377 VanDerWaalsContact C-N 3.27Å; L375-N377 PolarHBondContact O-N 3.16Å; N377-I380 PolarHBondContact O-N 2.93Å; N377-M381 VanDerWaalsContact O-CG 3.26Å; N377-M381 WeakPolarHBondContact O-CG 3.48Å; N377-M381 PolarHBondContact O-N 3.41Å; N377-M471 VanDerWaalsContact OD1-CE 3.26Å; N377-M471 WeakPolarHBondContact OD1-CE 3.47Å
378	M	98.6	Very high	96.3	Very high	22 Å²	22	28.5 Å²	28.5	11%	0.108	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-44.3	177.4	-66.3	178.2	-152.6	0	0	111.9	K374 L375 M376 M381 E382 P437 F440 A441	K374-M378 HydrophobicContact CB-CE 4.32Å; K374-M378 WeakPolarHBondContact O-CG 3.45Å; K374-M378 PolarHBondContact O-N 3.45Å; L375-M378 HydrophobicContact CD2-CE 4.35Å; L375-M378 HydrophobicContact CD2-SD 4.16Å; L375-M378 WeakPolarHBondContact O-CB 3.2Å; L375-M378 PolarHBondContact O-N 2.72Å; L375-M378 VanDerWaalsContact O-N 3.08Å; M376-M378 VanDerWaalsContact C-N 3.34Å; M376-M378 PolarHBondContact O-N 3.01Å; M378-M381 PolarHBondContact O-N 3.31Å; M378-E382 PolarHBondContact O-N 2.94Å; M378-P437 HydrophobicContact CB-CB 3.9Å; M378-P437 WeakPolarHBondContact CB-O 3.33Å; M378-F440 HydrophobicContact CB-CB 4.15Å; M378-F440 HydrophobicContact CG-CB 3.91Å; M378-A441 HydrophobicContact CE-CB 4.28Å; M378-A441 HydrophobicContact SD-CB 4.27Å
379	V	98.8	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-49.1	177.5	165.3	0	0	0	0	110.9	T337 L341 W347 L351 L375 M376 M381 E382 S383 F435 P437	T337-V379 HydrophobicContact CG2-CG1 3.81Å; L341-V379 HydrophobicContact CD2-CG1 4.19Å; W347-V379 HydrophobicContact CD2-CG2 4.33Å; W347-V379 HydrophobicContact CE3-CG2 3.68Å; W347-V379 HydrophobicContact CZ3-CG2 4.2Å; L351-V379 HydrophobicContact CD1-CB 4.3Å; L351-V379 HydrophobicContact CD1-CG1 4.23Å; L351-V379 HydrophobicContact CD1-CG2 4.05Å; L351-V379 HydrophobicContact CD2-CG2 4.06Å; L351-V379 HydrophobicContact CG-CG2 4.27Å; L375-V379 PolarHBondContact O-N 2.99Å; M376-V379 PolarHBondContact O-N 3.39Å; V379-M381 VanDerWaalsContact C-N 3.32Å; V379-M381 PolarHBondContact O-N 2.7Å; V379-E382 PolarHBondContact O-N 2.9Å; V379-S383 PolarHBondContact O-N 3.12Å; V379-S383 PolarHBondContact O-OG 2.93Å; V379-S383 VanDerWaalsContact O-OG 3.07Å; V379-F435 HydrophobicContact CG1-CZ 4.07Å; V379-F435 HydrophobicContact CG2-CZ 4.18Å; V379-P437 HydrophobicContact CG2-CB 4.02Å; V379-P437 HydrophobicContact CG2-CG 3.79Å
380	I	98.6	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-42.7	179.1	-68.8	166.8	0	0	0	111.3	L333 M376 N377 S383 L384 M471 A474 K475 L478	L333-I380 HydrophobicContact CD1-CG2 4.41Å; L333-I380 HydrophobicContact CD2-CG2 4.17Å; M376-I380 HydrophobicContact CG-CD1 3.93Å; M376-I380 WeakPolarHBondContact O-CG1 3.39Å; M376-I380 PolarHBondContact O-N 3.4Å; M376-I380 HydrophobicContact SD-CD1 4.23Å; M376-I380 HydrophobicContact SD-CG1 4.46Å; N377-I380 PolarHBondContact O-N 2.93Å; I380-S383 PolarHBondContact O-N 3.27Å; I380-L384 HydrophobicContact CG2-CD1 4.06Å; I380-L384 WeakPolarHBondContact O-CB 3.28Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.09Å; I380-M471 HydrophobicContact CB-CE 4.21Å; I380-M471 HydrophobicContact CD1-CE 4.36Å; I380-M471 HydrophobicContact CG2-CE 3.73Å; I380-M471 HydrophobicContact CG2-SD 3.71Å; I380-A474 HydrophobicContact CD1-CB 3.94Å; I380-K475 HydrophobicContact CD1-CG 3.73Å; I380-L478 HydrophobicContact CD1-CD1 4.29Å; I380-L478 HydrophobicContact CG1-CD1 4.07Å
381	M	98.6	Very high	97.4	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.064	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-35.9	179	-66.3	-51.5	-53	0	0	112.5	N377 M378 V379 L384 R385 F440 V444 L454 A456 M471	N377-M381 VanDerWaalsContact O-CG 3.26Å; N377-M381 WeakPolarHBondContact O-CG 3.48Å; N377-M381 PolarHBondContact O-N 3.41Å; M378-M381 PolarHBondContact O-N 3.31Å; V379-M381 VanDerWaalsContact C-N 3.32Å; V379-M381 PolarHBondContact O-N 2.7Å; M381-L384 HydrophobicContact CE-CD1 4.47Å; M381-L384 PolarHBondContact O-N 3.16Å; M381-L384 HydrophobicContact SD-CD1 4.2Å; M381-R385 PolarHBondContact O-N 3.15Å; M381-F440 HydrophobicContact CB-CD1 3.91Å; M381-F440 HydrophobicContact CB-CD2 3.86Å; M381-F440 HydrophobicContact CB-CE1 3.95Å; M381-F440 HydrophobicContact CB-CE2 3.88Å; M381-F440 HydrophobicContact CB-CG 3.88Å; M381-F440 HydrophobicContact CB-CZ 3.93Å; M381-V444 HydrophobicContact CE-CG2 3.9Å; M381-V444 HydrophobicContact CG-CG2 4.33Å; M381-L454 HydrophobicContact CE-CD2 3.35Å; M381-L454 HydrophobicContact CE-CG 4.48Å; M381-A456 HydrophobicContact CE-CB 4.47Å; M381-M471 HydrophobicContact SD-CE 4.3Å; M381-M471 HydrophobicContact SD-SD 4.36Å
382	E	98.5	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.6	-39.6	175	-175.1	68	162.1	0	0	112	M378 V379 L384 R385 L386 F435 N436 P437 R439 F440	M378-E382 PolarHBondContact O-N 2.94Å; V379-E382 PolarHBondContact O-N 2.9Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 3.24Å; E382-R385 WeakPolarHBondContact O-CB 3.33Å; E382-R385 PolarHBondContact O-N 3.07Å; E382-R385 IonicContact OE1-CZ 3.36Å; E382-R385 IonicContact OE1-NE 2.55Å; E382-R385 IonicContact OE1-NH2 3.53Å; E382-R385 PolarHBondContact OE1-NH2 3.47Å; E382-R385 IonicContact OE2-CZ 2.64Å; E382-R385 IonicContact OE2-NE 3.64Å; E382-R385 PolarHBondContact OE2-NE 2.84Å; E382-R385 IonicContact OE2-NH2 3.58Å; E382-L386 HydrophobicContact CG-CD1 4.21Å; E382-L386 PolarHBondContact O-N 3.4Å; E382-F435 HydrophobicContact CB-CD2 4.28Å; E382-F435 HydrophobicContact CB-CE2 4.02Å; E382-F435 HydrophobicContact CG-CD2 3.5Å; E382-F435 VanDerWaalsContact CG-CD2 3.5Å; E382-F435 HydrophobicContact CG-CE2 3.76Å; E382-F435 HydrophobicContact CG-CG 4.36Å; E382-N436 PolarHBondContact OE1-N 3.06Å; E382-P437 HydrophobicContact CB-CB 4.39Å; E382-P437 HydrophobicContact CB-CG 4.28Å; E382-P437 HydrophobicContact CG-CG 4.4Å; E382-R439 VanDerWaalsContact CD-NE 3.33Å; E382-R439 IonicContact OE1-CZ 3.04Å; E382-R439 IonicContact OE1-NE 2.96Å; E382-R439 PolarHBondContact OE1-NE 3.2Å; E382-R439 IonicContact OE1-NH2 3.85Å; E382-R439 PolarHBondContact OE1-NH2 2.94Å; E382-R439 WeakPolarHBondContact OE2-CD 3.33Å; E382-R439 IonicContact OE2-NE 3.1Å; E382-R439 PolarHBondContact OE2-NE 2.87Å; E382-F440 HydrophobicContact CB-CD2 4.17Å; E382-F440 HydrophobicContact CB-CE2 3.84Å; E382-F440 VanDerWaalsContact OE2-CE2 3.29Å; E382-F440 WeakPolarHBondContact OE2-CE2 3.47Å
383	S	98.5	Very high	97.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-44.6	170.5	-59.5	0	0	0	0	111.6	T337 L340 V379 I380 R385 L386 Y387	T337-S383 VanDerWaalsContact OG1-CB 3.23Å; T337-S383 WeakPolarHBondContact OG1-CB 3.45Å; T337-S383 PolarHBondContact OG1-OG 3.08Å; L340-S383 WeakPolarHBondContact CD1-OG 3.25Å; V379-S383 PolarHBondContact O-N 3.12Å; V379-S383 PolarHBondContact O-OG 2.93Å; V379-S383 VanDerWaalsContact O-OG 3.07Å; I380-S383 PolarHBondContact O-N 3.27Å; S383-R385 VanDerWaalsContact C-N 3.3Å; S383-R385 PolarHBondContact O-N 3.37Å; S383-L386 PolarHBondContact O-N 3.06Å; S383-Y387 CarbonylContact O-C 3.54Å; S383-Y387 WeakPolarHBondContact O-CA 3.46Å; S383-Y387 PolarHBondContact O-N 3.46Å
384	L	98.4	Very high	97.7	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-30	177.2	-78.3	168.9	0	0	0	113.3	L333 I380 M381 E382 G388 A456 F457	L333-L384 HydrophobicContact CD1-CD2 3.78Å; L333-L384 HydrophobicContact CD1-CG 3.7Å; L333-L384 HydrophobicContact CD2-CD2 4.18Å; L333-L384 HydrophobicContact CD2-CG 4.39Å; L333-L384 HydrophobicContact CG-CD2 4.43Å; I380-L384 HydrophobicContact CG2-CD1 4.06Å; I380-L384 WeakPolarHBondContact O-CB 3.28Å; I380-L384 WeakPolarHBondContact O-CG 3.46Å; I380-L384 PolarHBondContact O-N 3.09Å; M381-L384 HydrophobicContact CE-CD1 4.47Å; M381-L384 PolarHBondContact O-N 3.16Å; M381-L384 HydrophobicContact SD-CD1 4.2Å; E382-L384 VanDerWaalsContact C-N 3.32Å; E382-L384 PolarHBondContact O-N 3.24Å; L384-G388 WeakPolarHBondContact O-CA 3.48Å; L384-G388 PolarHBondContact O-N 3.26Å; L384-G388 VanDerWaalsContact O-N 3.08Å; L384-A456 HydrophobicContact CB-CB 3.89Å; L384-A456 HydrophobicContact CD1-CB 4.18Å; L384-A456 HydrophobicContact CG-CB 4.45Å; L384-F457 HydrophobicContact CD1-CE2 3.56Å; L384-F457 HydrophobicContact CD1-CZ 3.61Å
385	R	98.2	Very high	97.7	Very high	2 Å²	2	16 Å²	16	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-70.3	-49.1	174.3	-176	-172.4	70.7	84.3	-5.1	110.8	M381 E382 S383 H422 W428 A432 K434 L454	M381-R385 PolarHBondContact O-N 3.15Å; E382-R385 WeakPolarHBondContact O-CB 3.33Å; E382-R385 PolarHBondContact O-N 3.07Å; E382-R385 IonicContact OE1-CZ 3.36Å; E382-R385 IonicContact OE1-NE 2.55Å; E382-R385 IonicContact OE1-NH2 3.53Å; E382-R385 PolarHBondContact OE1-NH2 3.47Å; E382-R385 IonicContact OE2-CZ 2.64Å; E382-R385 IonicContact OE2-NE 3.64Å; E382-R385 PolarHBondContact OE2-NE 2.84Å; E382-R385 IonicContact OE2-NH2 3.58Å; S383-R385 VanDerWaalsContact C-N 3.3Å; S383-R385 PolarHBondContact O-N 3.37Å; R385-H422 HydrophobicContact CG-CB 3.81Å; R385-H422 PolarHBondContact NH1-O 3.18Å; R385-H422 WeakPolarHBondContact O-CB 3.18Å; R385-W428 HydrophobicContact CG-CD2 4.5Å; R385-W428 HydrophobicContact CG-CH2 3.92Å; R385-W428 HydrophobicContact CG-CZ2 3.83Å; R385-W428 HydrophobicContact CG-CZ3 4.34Å; R385-A432 PolarHBondContact NH1-O 2.98Å; R385-A432 PolarHBondContact NH2-O 3.46Å; R385-K434 PolarHBondContact NH2-O 3.1Å; R385-L454 HydrophobicContact CB-CD1 3.82Å; R385-L454 HydrophobicContact CG-CD1 4.05Å
386	L	97.7	Very high	97.6	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.042	9%	0.091	C	C	.	.	H	α-helix	trans	-76	-41.3	-174.6	-69.6	175	0	0	0	112.7	N75 L340 E382 S383 F435	N75-L386 HydrophobicContact CB-CB 4.43Å; N75-L386 HydrophobicContact CB-CD1 3.95Å; N75-L386 HydrophobicContact CB-CD2 3.67Å; N75-L386 HydrophobicContact CB-CG 4.23Å; L340-L386 HydrophobicContact CD2-CD1 4.39Å; E382-L386 HydrophobicContact CG-CD1 4.21Å; E382-L386 PolarHBondContact O-N 3.4Å; S383-L386 PolarHBondContact O-N 3.06Å; L386-F435 HydrophobicContact CD1-CB 4.14Å; L386-F435 HydrophobicContact CD1-CD2 4.03Å
387	Y	97.7	Very high	97.6	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-132.4	36.5	-171.6	-63.8	-91.2	0	0	0	112.4	N75 I77 W336 M339 L340 S383 H496 P498	N75-Y387 WeakPolarHBondContact CA-OH 3.45Å; N75-Y387 HydrophobicContact CB-CE2 4.09Å; N75-Y387 WeakPolarHBondContact OD1-CE2 3.45Å; N75-Y387 PolarHBondContact OD1-OH 2.89Å; I77-Y387 HydrophobicContact CD1-CD1 3.85Å; I77-Y387 HydrophobicContact CD1-CE1 4.18Å; I77-Y387 HydrophobicContact CG2-CD1 4.34Å; I77-Y387 HydrophobicContact CG2-CE1 3.58Å; W336-Y387 HydrophobicContact CB-CD2 4.48Å; W336-Y387 HydrophobicContact CB-CG 4.05Å; W336-Y387 AromaticContact CD2-CD1 3.56Å; W336-Y387 HydrophobicContact CD2-CD1 3.56Å; W336-Y387 HydrophobicContact CD2-CE1 4.34Å; W336-Y387 AromaticContact CD2-CG 3.83Å; W336-Y387 HydrophobicContact CD2-CG 3.83Å; W336-Y387 AromaticContact CE2-CD1 3.84Å; W336-Y387 AromaticContact CE3-CD1 3.57Å; W336-Y387 HydrophobicContact CE3-CD1 3.57Å; W336-Y387 AromaticContact CE3-CE1 3.89Å; W336-Y387 HydrophobicContact CE3-CE1 3.89Å; W336-Y387 HydrophobicContact CE3-CG 4.07Å; W336-Y387 HydrophobicContact CG-CD1 4.07Å; W336-Y387 AromaticContact CG-CG 3.84Å; W336-Y387 HydrophobicContact CG-CG 3.84Å; W336-Y387 HydrophobicContact CH2-CD1 4.17Å; W336-Y387 HydrophobicContact CH2-CE1 4.32Å; W336-Y387 HydrophobicContact CZ2-CD1 4.11Å; W336-Y387 AromaticContact CZ3-CD1 3.91Å; W336-Y387 HydrophobicContact CZ3-CD1 3.91Å; W336-Y387 AromaticContact CZ3-CE1 3.9Å; W336-Y387 HydrophobicContact CZ3-CE1 3.9Å; M339-Y387 HydrophobicContact CE-CD2 4.47Å; M339-Y387 HydrophobicContact CE-CE1 4.23Å; M339-Y387 HydrophobicContact CE-CE2 3.77Å; L340-Y387 HydrophobicContact CD1-CD2 4.23Å; L340-Y387 HydrophobicContact CD2-CE2 4.19Å; S383-Y387 CarbonylContact O-C 3.54Å; S383-Y387 WeakPolarHBondContact O-CA 3.46Å; S383-Y387 PolarHBondContact O-N 3.46Å; Y387-H496 AromaticContact CE1-CE1 3.59Å; Y387-H496 AromaticContact CE1-NE2 3.79Å; Y387-H496 AromaticContact CZ-CE1 3.76Å; Y387-H496 AromaticContact CZ-NE2 3.8Å; Y387-H496 PolarHBondContact OH-CE1 3.12Å; Y387-H496 VanDerWaalsContact OH-CE1 3.24Å; Y387-H496 PolarHBondContact OH-NE2 2.86Å; Y387-P498 HydrophobicContact CE1-CG 4.14Å
388	G	96.9	Very high	97.5	Very high	9 Å²	9	14.3 Å²	14.3	9%	0.093	9%	0.089	C	C	.	.			trans	-53.7	133.7	176.2	0	0	0	0	0	111.9	L384 V390 I504	L384-G388 WeakPolarHBondContact O-CA 3.48Å; L384-G388 PolarHBondContact O-N 3.26Å; L384-G388 VanDerWaalsContact O-N 3.08Å; G388-V390 PolarHBondContact O-N 2.86Å; G388-I504 WeakPolarHBondContact O-CD1 3.2Å
389	P	97.1	Very high	97.4	Very high	13 Å²	13	16 Å²	16	8%	0.084	10%	0.101	C	C	.	.	S	Bend	trans	-58.6	-26.6	-174.2	-28.4	34.7	0	0	0	114.7	T329 N332 T503 I504	T329-P389 HydrophobicContact CG2-CB 4.28Å; T329-P389 WeakPolarHBondContact O-CG 3.4Å; N332-P389 HydrophobicContact CB-CG 4.45Å; P389-T503 HydrophobicContact CB-CG2 4.22Å; P389-T503 CarbonylContact O-C 3.5Å; P389-T503 WeakPolarHBondContact O-CA 3.43Å; P389-I504 PolarHBondContact O-N 2.86Å
390	V	96.6	Very high	97.3	Very high	64 Å²	64	21 Å²	21	39%	0.388	13%	0.128	S	C	.	.			trans	-100.4	120.1	-178.1	179.8	0	0	0	0	110.2	G388 A392 L393 L418	G388-V390 PolarHBondContact O-N 2.86Å; V390-A392 VanDerWaalsContact CG1-O 3.31Å; V390-A392 WeakPolarHBondContact CG1-O 3.17Å; V390-L393 HydrophobicContact CG1-CD2 4.03Å; V390-L418 HydrophobicContact CB-CD1 4.27Å; V390-L418 HydrophobicContact CG1-CD1 4.11Å; V390-L418 WeakPolarHBondContact O-CD1 3.49Å
391	S	96.3	Very high	97.2	Very high	12 Å²	12	22.4 Å²	22.4	8%	0.084	14%	0.135	C	C	.	.	S	Bend	trans	-77.7	-29.5	-178.2	62.9	0	0	0	0	114.2	L418 L419 D500	S391-L418 PolarHBondContact O-N 2.64Å; S391-L419 PolarHBondContact O-N 3.41Å; S391-D500 WeakPolarHBondContact CB-OD2 3.5Å; S391-D500 PolarHBondContact OG-OD2 3.46Å
392	A	96.6	Very high	97.1	Very high	28 Å²	28	28.1 Å²	28.1	23%	0.231	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153	-179.2	0	0	0	0	0	113.2	V390 V415 I416	V390-A392 VanDerWaalsContact CG1-O 3.31Å; V390-A392 WeakPolarHBondContact CG1-O 3.17Å; A392-V415 HydrophobicContact CB-CG1 3.89Å; A392-I416 CarbonylContact C-O 3.59Å; A392-I416 WeakPolarHBondContact CA-O 3.31Å; A392-I416 WeakPolarHBondContact CB-O 3.43Å
393	L	96.7	Very high	96.9	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.131	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.2	171.2	-61.4	175.6	0	0	0	110.3	L118 V390 V415 I416 L418	L118-L393 HydrophobicContact CD1-CD1 3.91Å; L118-L393 HydrophobicContact CD2-CD1 4.29Å; V390-L393 HydrophobicContact CG1-CD2 4.03Å; L393-V415 CarbonylContact O-C 3.54Å; L393-V415 WeakPolarHBondContact O-CA 3.24Å; L393-I416 HydrophobicContact CB-CB 4.37Å; L393-I416 HydrophobicContact CB-CD1 4.34Å; L393-I416 PolarHBondContact N-O 2.73Å; L393-I416 PolarHBondContact O-N 3.17Å; L393-L418 HydrophobicContact CD1-CD1 4.28Å; L393-L418 HydrophobicContact CD1-CD2 4.1Å; L393-L418 HydrophobicContact CD2-CD1 4.42Å; L393-L418 HydrophobicContact CG-CD1 3.91Å; L393-L418 HydrophobicContact CG-CD2 4.2Å; L393-L418 HydrophobicContact CG-CG 4.17Å
394	A	96.2	Very high	96.7	Very high	21 Å²	21	29.9 Å²	29.9	17%	0.174	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.6	178.5	0	0	0	0	0	112.5	T413 V414 V415	A394-T413 HydrophobicContact CB-CG2 3.86Å; A394-V414 WeakPolarHBondContact CA-O 3.29Å; A394-V415 HydrophobicContact CB-CG2 4.16Å
395	R	96.4	Very high	96.5	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.4	169.6	-64.1	-65.1	-178.3	-77.2	-8	110.9	M117 F125 V126 T413 V414	M117-R395 HydrophobicContact CE-CB 4.43Å; M117-R395 HydrophobicContact CE-CG 4.25Å; M117-R395 HydrophobicContact CG-CB 4.4Å; M117-R395 HydrophobicContact CG-CG 4.44Å; M117-R395 HydrophobicContact SD-CB 3.8Å; M117-R395 HydrophobicContact SD-CG 4.15Å; F125-R395 HydrophobicContact CB-CB 3.88Å; F125-R395 HydrophobicContact CB-CG 4.19Å; F125-R395 HydrophobicContact CD1-CB 4.18Å; F125-R395 HydrophobicContact CG-CB 4.44Å; V126-R395 CarbonylContact O-C 3.44Å; V126-R395 WeakPolarHBondContact O-CA 3.37Å; V126-R395 WeakPolarHBondContact O-CD 3.47Å; R395-T413 CarbonylContact O-C 3.45Å; R395-T413 VanDerWaalsContact O-CA 3.27Å; R395-T413 WeakPolarHBondContact O-CA 2.93Å; R395-V414 PolarHBondContact N-O 2.85Å; R395-V414 PolarHBondContact O-N 2.94Å
396	E	96.9	Very high	96.3	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	173.6	-173.9	-179.7	131.3	0	0	109.8	F125 V126 S398	F125-E396 WeakPolarHBondContact CA-O 3.48Å; V126-E396 HydrophobicContact CG2-CB 4.21Å; V126-E396 WeakPolarHBondContact CG2-O 3.46Å; V126-E396 PolarHBondContact N-O 3.33Å; V126-E396 PolarHBondContact O-N 2.9Å; E396-S398 PolarHBondContact O-N 3.32Å
397	A	97.4	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.3	172.6	0	0	0	0	0	109.8	F124 F125 V399 I401 I408 K410 G411 T412	F124-A397 WeakPolarHBondContact O-CA 3.3Å; F125-A397 HydrophobicContact CD1-CB 4.48Å; F125-A397 HydrophobicContact CE1-CB 4.19Å; A397-V399 VanDerWaalsContact C-N 3.3Å; A397-I401 HydrophobicContact CB-CG2 3.98Å; A397-I408 HydrophobicContact CB-CG2 3.78Å; A397-K410 WeakPolarHBondContact O-CA 3.25Å; A397-G411 PolarHBondContact O-N 3.39Å; A397-T412 PolarHBondContact N-O 3.44Å
398	S	95.9	Very high	96.3	Very high	35 Å²	35	41.8 Å²	41.8	25%	0.245	24%	0.237	C	C	.	.	S	Bend	trans	-78.6	-16.8	180	65.5	0	0	0	0	113.2	F124 E396 K410	F124-S398 WeakPolarHBondContact CA-OG 3.21Å; F124-S398 PolarHBondContact O-N 2.86Å; F124-S398 PolarHBondContact O-OG 3.34Å; E396-S398 PolarHBondContact O-N 3.32Å; S398-K410 VanDerWaalsContact O-CD 3.27Å; S398-K410 WeakPolarHBondContact O-CD 3.19Å; S398-K410 VanDerWaalsContact O-CE 3.23Å; S398-K410 WeakPolarHBondContact O-CE 3.37Å; S398-K410 WeakPolarHBondContact O-CG 3.48Å
399	V	96.6	Very high	96.3	Very high	59 Å²	59	41.7 Å²	41.7	36%	0.358	24%	0.235	S	C	.	.	S	Bend	trans	-137.1	166.5	176.1	-62.7	0	0	0	0	109.6	F124 A397 I401	F124-V399 HydrophobicContact CB-CG2 4.08Å; F124-V399 HydrophobicContact CD1-CG2 4.05Å; F124-V399 HydrophobicContact CD2-CG2 4.37Å; F124-V399 HydrophobicContact CG-CG2 3.92Å; A397-V399 VanDerWaalsContact C-N 3.3Å; V399-I401 HydrophobicContact CG2-CB 4.4Å; V399-I401 PolarHBondContact O-N 2.86Å
400	N	96.9	Very high	96.3	Very high	105 Å²	105	47.7 Å²	47.7	56%	0.561	26%	0.26	S	S	*	.			trans	-64.8	126	165.6	-64.4	-27	0	0	0	107.8	I408 P409 K410	N400-I408 WeakPolarHBondContact CA-O 3.36Å; N400-P409 WeakPolarHBondContact OD1-CA 3.45Å; N400-K410 PolarHBondContact OD1-N 3.16Å
401	I	96.8	Very high	96.2	Very high	28 Å²	28	45.9 Å²	45.9	14%	0.144	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.6	-173	-170.3	163.5	0	0	0	111.3	F124 F125 A397 V399 I408	F124-I401 HydrophobicContact CB-CD1 3.63Å; F124-I401 HydrophobicContact CD2-CD1 3.79Å; F124-I401 HydrophobicContact CG-CD1 4.18Å; F125-I401 HydrophobicContact CD2-CD1 4.44Å; F125-I401 HydrophobicContact CE1-CG2 4.03Å; F125-I401 HydrophobicContact CE2-CD1 3.84Å; F125-I401 HydrophobicContact CE2-CG2 4.29Å; F125-I401 HydrophobicContact CZ-CD1 4.28Å; F125-I401 HydrophobicContact CZ-CG2 3.64Å; A397-I401 HydrophobicContact CB-CG2 3.98Å; V399-I401 HydrophobicContact CG2-CB 4.4Å; V399-I401 PolarHBondContact O-N 2.86Å; I401-I408 HydrophobicContact CG2-CB 4.08Å; I401-I408 PolarHBondContact N-O 3.23Å; I401-I408 PolarHBondContact O-N 2.83Å
402	K	96.1	Very high	96.3	Very high	134 Å²	134	45.3 Å²	45.3	58%	0.583	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.7	172.1	-174.5	167.9	177	173.4	0	109.8	G404 D405 L406	K402-G404 WeakPolarHBondContact CE-O 3.27Å; K402-G404 WeakPolarHBondContact CG-O 3.27Å; K402-D405 IonicContact NZ-OD1 2.88Å; K402-D405 PolarHBondContact NZ-OD1 3.36Å; K402-L406 CarbonylContact C-O 3.52Å; K402-L406 WeakPolarHBondContact CA-O 3.36Å
403	L	95.8	Very high	96.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	103.6	174.9	179.7	64	0	0	0	108.6	I108 L113 T116 M117 F125 D405 L406 I408 V414	I108-L403 HydrophobicContact CD1-CD2 3.73Å; L113-L403 HydrophobicContact CB-CG 4.4Å; L113-L403 HydrophobicContact CD2-CG 4.41Å; T116-L403 HydrophobicContact CG2-CD1 3.88Å; M117-L403 HydrophobicContact CB-CD1 4.03Å; M117-L403 HydrophobicContact CB-CD2 4.35Å; F125-L403 HydrophobicContact CZ-CB 4.43Å; F125-L403 HydrophobicContact CZ-CD1 4.42Å; F125-L403 HydrophobicContact CZ-CD2 4.37Å; L403-D405 PolarHBondContact O-N 3.37Å; L403-L406 PolarHBondContact N-O 2.99Å; L403-L406 WeakPolarHBondContact O-CB 3.24Å; L403-L406 PolarHBondContact O-N 3.04Å; L403-L406 VanDerWaalsContact O-N 3.09Å; L403-I408 HydrophobicContact CB-CG1 3.85Å; L403-I408 HydrophobicContact CD2-CG1 4.47Å; L403-V414 HydrophobicContact CD2-CG1 4.26Å; L403-V414 HydrophobicContact CD2-CG2 4.44Å
404	G	93.6	Very high	96.4	Very high	35 Å²	35	42.9 Å²	42.9	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-129.5	-163.7	0	0	0	0	0	109.1	L113 K402	L113-G404 VanDerWaalsContact CD2-CA 3.48Å; K402-G404 WeakPolarHBondContact CE-O 3.27Å; K402-G404 WeakPolarHBondContact CG-O 3.27Å
405	D	93.3	Very high	96.5	Very high	139 Å²	139	42.1 Å²	42.1	74%	0.743	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	2.6	174.2	-68.9	-46.5	0	0	0	114.9	K402 L403	K402-D405 IonicContact NZ-OD1 2.88Å; K402-D405 PolarHBondContact NZ-OD1 3.36Å; L403-D405 PolarHBondContact O-N 3.37Å
406	L	95.6	Very high	96.5	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.5	-178	-54.3	177.5	0	0	0	111.2	I43 T95 I108 L113 K402 L403 I408	I43-L406 HydrophobicContact CD1-CD1 4.02Å; I43-L406 HydrophobicContact CD1-CD2 3.8Å; I43-L406 HydrophobicContact CD1-CG 4.41Å; I43-L406 HydrophobicContact CG1-CD2 4.36Å; T95-L406 HydrophobicContact CG2-CD1 4.28Å; I108-L406 HydrophobicContact CD1-CD1 4.07Å; L113-L406 HydrophobicContact CD1-CD1 4.44Å; K402-L406 CarbonylContact C-O 3.52Å; K402-L406 WeakPolarHBondContact CA-O 3.36Å; L403-L406 PolarHBondContact N-O 2.99Å; L403-L406 WeakPolarHBondContact O-CB 3.24Å; L403-L406 PolarHBondContact O-N 3.04Å; L403-L406 VanDerWaalsContact O-N 3.09Å; L406-I408 HydrophobicContact CB-CD1 3.91Å; L406-I408 PolarHBondContact O-N 3.37Å
407	E	97.2	Very high	96.6	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	108.7	162.7	-66.2	-171.4	175.5	0	0	110	R37 Q41 P409	R37-E407 IonicContact CZ-OE2 2.73Å; R37-E407 IonicContact NE-OE2 2.81Å; R37-E407 IonicContact NH2-OE2 2.64Å; R37-E407 PolarHBondContact NH2-OE2 3.18Å; Q41-E407 PolarHBondContact NE2-O 2.94Å; E407-P409 VanDerWaalsContact O-CD 3.3Å; E407-P409 WeakPolarHBondContact O-CD 3.28Å
408	I	97.4	Very high	96.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.6	176.1	-49.8	-58	0	0	0	109	I106 A397 N400 I401 L403 L406 T412 V414	I106-I408 HydrophobicContact CD1-CD1 3.91Å; A397-I408 HydrophobicContact CB-CG2 3.78Å; N400-I408 WeakPolarHBondContact CA-O 3.36Å; I401-I408 HydrophobicContact CG2-CB 4.08Å; I401-I408 PolarHBondContact N-O 3.23Å; I401-I408 PolarHBondContact O-N 2.83Å; L403-I408 HydrophobicContact CB-CG1 3.85Å; L403-I408 HydrophobicContact CD2-CG1 4.47Å; L406-I408 HydrophobicContact CB-CD1 3.91Å; L406-I408 PolarHBondContact O-N 3.37Å; I408-T412 HydrophobicContact CG2-CG2 4.31Å; I408-V414 HydrophobicContact CD1-CG2 4.32Å; I408-V414 HydrophobicContact CG1-CG2 4.38Å; I408-V414 HydrophobicContact CG2-CG2 3.96Å
409	P	96.8	Very high	96.6	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.045	21%	0.21	C	C	.	.			trans	-71.7	148.8	178.7	-22	38.6	0	0	0	111.7	L34 N400 E407 G411 T412	L34-P409 HydrophobicContact CD1-CB 3.67Å; L34-P409 HydrophobicContact CD1-CG 3.53Å; N400-P409 WeakPolarHBondContact OD1-CA 3.45Å; E407-P409 VanDerWaalsContact O-CD 3.3Å; E407-P409 WeakPolarHBondContact O-CD 3.28Å; P409-G411 PolarHBondContact O-N 3.4Å; P409-T412 WeakPolarHBondContact O-CB 3.39Å; P409-T412 PolarHBondContact O-N 3.1Å; P409-T412 VanDerWaalsContact O-N 3.09Å; P409-T412 PolarHBondContact O-OG1 2.89Å
410	K	96.5	Very high	96.6	Very high	138 Å²	138	37.8 Å²	37.8	60%	0.6	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	137.5	175.2	175.6	174.7	179.5	175.2	0	111.5	A397 S398 N400 T412	A397-K410 WeakPolarHBondContact O-CA 3.25Å; S398-K410 VanDerWaalsContact O-CD 3.27Å; S398-K410 WeakPolarHBondContact O-CD 3.19Å; S398-K410 VanDerWaalsContact O-CE 3.23Å; S398-K410 WeakPolarHBondContact O-CE 3.37Å; S398-K410 WeakPolarHBondContact O-CG 3.48Å; N400-K410 PolarHBondContact OD1-N 3.16Å; K410-T412 PolarHBondContact O-N 3.1Å
411	G	95.8	Very high	96.6	Very high	26 Å²	26	32.8 Å²	32.8	27%	0.268	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-0.8	-179.4	0	0	0	0	0	114	A397 P409	A397-G411 PolarHBondContact O-N 3.39Å; P409-G411 PolarHBondContact O-N 3.4Å
412	T	97.3	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-82.7	128.1	173.4	-51	0	0	0	0	110.3	P104 I106 A397 I408 P409 K410	P104-T412 HydrophobicContact CB-CG2 4.36Å; P104-T412 HydrophobicContact CG-CG2 4.49Å; I106-T412 HydrophobicContact CD1-CG2 3.67Å; I106-T412 HydrophobicContact CG1-CG2 3.76Å; A397-T412 PolarHBondContact N-O 3.44Å; I408-T412 HydrophobicContact CG2-CG2 4.31Å; P409-T412 WeakPolarHBondContact O-CB 3.39Å; P409-T412 PolarHBondContact O-N 3.1Å; P409-T412 VanDerWaalsContact O-N 3.09Å; P409-T412 PolarHBondContact O-OG1 2.89Å; K410-T412 PolarHBondContact O-N 3.1Å
413	T	97.8	Very high	96.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.3	173.7	-65.3	0	0	0	0	110.1	P104 R105 I106 A394 R395 V415	P104-T413 PolarHBondContact O-N 3.24Å; R105-T413 CarbonylContact C-O 3.54Å; R105-T413 WeakPolarHBondContact CA-O 3.42Å; R105-T413 HydrophobicContact CG-CG2 4.5Å; I106-T413 PolarHBondContact N-O 2.94Å; A394-T413 HydrophobicContact CB-CG2 3.86Å; R395-T413 CarbonylContact O-C 3.45Å; R395-T413 VanDerWaalsContact O-CA 3.27Å; R395-T413 WeakPolarHBondContact O-CA 2.93Å; T413-V415 HydrophobicContact CG2-CG2 3.93Å
414	V	98	Very high	96.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.6	168.9	179.3	0	0	0	0	108.4	I106 I108 M117 F125 A394 R395 L403 I408	I106-V414 CarbonylContact O-C 3.58Å; I106-V414 WeakPolarHBondContact O-CA 3.5Å; I108-V414 HydrophobicContact CB-CG1 4.3Å; I108-V414 HydrophobicContact CD1-CG1 3.6Å; I108-V414 HydrophobicContact CG1-CG1 3.96Å; M117-V414 HydrophobicContact CE-CG1 4.12Å; M117-V414 HydrophobicContact SD-CB 3.54Å; M117-V414 VanDerWaalsContact SD-CB 3.54Å; M117-V414 HydrophobicContact SD-CG1 3.57Å; M117-V414 VanDerWaalsContact SD-CG1 3.57Å; M117-V414 HydrophobicContact SD-CG2 4.37Å; F125-V414 HydrophobicContact CE1-CG2 4.43Å; A394-V414 WeakPolarHBondContact CA-O 3.29Å; R395-V414 PolarHBondContact N-O 2.85Å; R395-V414 PolarHBondContact O-N 2.94Å; L403-V414 HydrophobicContact CD2-CG1 4.26Å; L403-V414 HydrophobicContact CD2-CG2 4.44Å; I408-V414 HydrophobicContact CD1-CG2 4.32Å; I408-V414 HydrophobicContact CG1-CG2 4.38Å; I408-V414 HydrophobicContact CG2-CG2 3.96Å
415	V	98.1	Very high	96.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.2	-178.7	-171.9	0	0	0	0	110.1	Y85 R105 I106 C107 I108 A392 L393 A394 T413 P417	Y85-V415 HydrophobicContact CE2-CG1 4.33Å; Y85-V415 VanDerWaalsContact OH-CG1 3.29Å; Y85-V415 WeakPolarHBondContact OH-CG1 3.46Å; R105-V415 HydrophobicContact CB-CG2 4.35Å; I106-V415 PolarHBondContact O-N 3.1Å; C107-V415 WeakPolarHBondContact CA-O 3.49Å; I108-V415 PolarHBondContact N-O 2.88Å; A392-V415 HydrophobicContact CB-CG1 3.89Å; L393-V415 CarbonylContact O-C 3.54Å; L393-V415 WeakPolarHBondContact O-CA 3.24Å; A394-V415 HydrophobicContact CB-CG2 4.16Å; T413-V415 HydrophobicContact CG2-CG2 3.93Å; V415-P417 WeakPolarHBondContact O-CD 3.3Å
416	I	97.8	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.3	174	-56.6	161.6	0	0	0	108.5	I108 A114 M117 L118 A392 L393 L418 M421 L455	I108-I416 WeakPolarHBondContact O-CA 3.43Å; A114-I416 HydrophobicContact CB-CD1 3.62Å; A114-I416 HydrophobicContact CB-CG1 3.93Å; A114-I416 HydrophobicContact CB-CG2 4.07Å; M117-I416 HydrophobicContact CE-CD1 3.17Å; M117-I416 HydrophobicContact CE-CG1 3.52Å; L118-I416 HydrophobicContact CD1-CD1 3.72Å; L118-I416 HydrophobicContact CD2-CD1 4.15Å; L118-I416 HydrophobicContact CG-CD1 3.84Å; A392-I416 CarbonylContact C-O 3.59Å; A392-I416 WeakPolarHBondContact CA-O 3.31Å; A392-I416 WeakPolarHBondContact CB-O 3.43Å; L393-I416 HydrophobicContact CB-CB 4.37Å; L393-I416 HydrophobicContact CB-CD1 4.34Å; L393-I416 PolarHBondContact N-O 2.73Å; L393-I416 PolarHBondContact O-N 3.17Å; I416-L418 HydrophobicContact CG2-CD2 4.07Å; I416-L418 PolarHBondContact O-N 2.81Å; I416-L418 VanDerWaalsContact O-N 3.17Å; I416-M421 HydrophobicContact CG2-CG 4.41Å; I416-M421 HydrophobicContact CG2-SD 3.13Å; I416-M421 WeakPolarHBondContact CG2-SD 3.49Å; I416-L455 HydrophobicContact CG2-CD1 4.38Å
417	P	97.5	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	98.8	174.3	31.1	-30.2	0	0	0	110.5	L82 Y85 M89 I108 V415 L419 K420 M421	L82-P417 HydrophobicContact CD1-CB 4.17Å; Y85-P417 HydrophobicContact CD2-CB 3.6Å; Y85-P417 HydrophobicContact CD2-CG 4.1Å; Y85-P417 HydrophobicContact CE2-CB 3.78Å; Y85-P417 HydrophobicContact CE2-CG 4.3Å; M89-P417 HydrophobicContact CE-CG 3.75Å; I108-P417 VanDerWaalsContact O-CD 3.27Å; I108-P417 WeakPolarHBondContact O-CD 3.34Å; V415-P417 WeakPolarHBondContact O-CD 3.3Å; P417-L419 VanDerWaalsContact C-N 3.31Å; P417-L419 PolarHBondContact O-N 2.8Å; P417-K420 HydrophobicContact CB-CB 4.11Å; P417-K420 HydrophobicContact CG-CB 4.06Å; P417-K420 PolarHBondContact O-N 3.37Å; P417-M421 PolarHBondContact O-N 3.2Å; P417-M421 VanDerWaalsContact O-N 3.09Å
418	L	97.6	Very high	97	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-43	-176.9	-66.4	-172.6	0	0	0	111.4	V390 S391 L393 I416 K420 M421 H422 L455	V390-L418 HydrophobicContact CB-CD1 4.27Å; V390-L418 HydrophobicContact CG1-CD1 4.11Å; V390-L418 WeakPolarHBondContact O-CD1 3.49Å; S391-L418 PolarHBondContact O-N 2.64Å; L393-L418 HydrophobicContact CD1-CD1 4.28Å; L393-L418 HydrophobicContact CD1-CD2 4.1Å; L393-L418 HydrophobicContact CD2-CD1 4.42Å; L393-L418 HydrophobicContact CG-CD1 3.91Å; L393-L418 HydrophobicContact CG-CD2 4.2Å; L393-L418 HydrophobicContact CG-CG 4.17Å; I416-L418 HydrophobicContact CG2-CD2 4.07Å; I416-L418 PolarHBondContact O-N 2.81Å; I416-L418 VanDerWaalsContact O-N 3.17Å; L418-K420 VanDerWaalsContact C-N 3.35Å; L418-K420 PolarHBondContact O-N 2.91Å; L418-M421 PolarHBondContact O-N 3.4Å; L418-M421 VanDerWaalsContact O-N 3.17Å; L418-H422 VanDerWaalsContact O-CB 3.3Å; L418-H422 WeakPolarHBondContact O-CB 3.16Å; L418-H422 PolarHBondContact O-CD2 3.17Å; L418-H422 PolarHBondContact O-N 3.4Å; L418-L455 HydrophobicContact CD2-CB 3.72Å; L418-L455 HydrophobicContact CD2-CD1 3.99Å; L418-L455 HydrophobicContact CD2-CG 4.48Å
419	L	96.3	Very high	96.9	Very high	7 Å²	7	26 Å²	26	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-43.8	179.3	-69.8	-179.7	0	0	0	113.2	I77 F78 I81 S391 P417 H422 S423 I504	I77-L419 HydrophobicContact CD1-CD1 4.48Å; I77-L419 HydrophobicContact CD1-CD2 3.93Å; I77-L419 HydrophobicContact CG1-CD1 4.35Å; I77-L419 HydrophobicContact CG1-CD2 4.04Å; F78-L419 HydrophobicContact CB-CB 4.13Å; F78-L419 HydrophobicContact CD2-CB 3.93Å; F78-L419 HydrophobicContact CG-CB 4.48Å; I81-L419 HydrophobicContact CB-CD1 3.52Å; I81-L419 HydrophobicContact CG1-CD1 3.93Å; I81-L419 HydrophobicContact CG2-CD1 3.55Å; S391-L419 PolarHBondContact O-N 3.41Å; P417-L419 VanDerWaalsContact C-N 3.31Å; P417-L419 PolarHBondContact O-N 2.8Å; L419-H422 PolarHBondContact O-N 3.44Å; L419-S423 WeakPolarHBondContact O-CB 3.47Å; L419-S423 PolarHBondContact O-N 3.42Å; L419-S423 PolarHBondContact O-OG 3.07Å; L419-I504 HydrophobicContact CD1-CD1 3.72Å; L419-I504 HydrophobicContact CD2-CD1 3.63Å; L419-I504 HydrophobicContact CG-CD1 3.95Å
420	K	96.4	Very high	96.8	Very high	31 Å²	31	30.7 Å²	30.7	14%	0.135	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-46.6	175.9	167.8	56.7	165.1	139.3	0	110.9	F78 M89 E94 P417 L418 H422 S423 D424	F78-K420 HydrophobicContact CD1-CB 4.48Å; F78-K420 HydrophobicContact CD2-CB 4.01Å; F78-K420 HydrophobicContact CE1-CB 4.19Å; F78-K420 HydrophobicContact CE1-CD 4.26Å; F78-K420 HydrophobicContact CE2-CB 3.69Å; F78-K420 HydrophobicContact CG-CB 4.39Å; F78-K420 HydrophobicContact CZ-CB 3.79Å; F78-K420 HydrophobicContact CZ-CG 4.36Å; M89-K420 HydrophobicContact CE-CB 4.44Å; M89-K420 HydrophobicContact CE-CG 3.91Å; M89-K420 HydrophobicContact SD-CD 4.23Å; M89-K420 HydrophobicContact SD-CG 3.87Å; E94-K420 WeakPolarHBondContact OE1-CE 3.48Å; E94-K420 IonicContact OE1-NZ 3.78Å; E94-K420 PolarHBondContact OE1-NZ 2.98Å; E94-K420 WeakPolarHBondContact OE2-CE 3.32Å; E94-K420 IonicContact OE2-NZ 3.01Å; P417-K420 HydrophobicContact CB-CB 4.11Å; P417-K420 HydrophobicContact CG-CB 4.06Å; P417-K420 PolarHBondContact O-N 3.37Å; L418-K420 VanDerWaalsContact C-N 3.35Å; L418-K420 PolarHBondContact O-N 2.91Å; K420-H422 PolarHBondContact O-N 2.93Å; K420-S423 PolarHBondContact O-N 3.17Å; K420-D424 IonicContact NZ-OD2 3.16Å; K420-D424 PolarHBondContact NZ-OD2 3Å; K420-D424 WeakPolarHBondContact O-CB 3.41Å; K420-D424 PolarHBondContact O-N 3.46Å
421	M	96.9	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-36.5	176.7	-76	-176.8	65.7	0	0	112.5	S109 P111 A114 I416 P417 L418 W428 L455	S109-M421 VanDerWaalsContact O-CG 3.27Å; S109-M421 WeakPolarHBondContact O-CG 3.16Å; P111-M421 HydrophobicContact CB-CE 3.88Å; P111-M421 HydrophobicContact CG-CE 3.95Å; A114-M421 HydrophobicContact CB-CE 4.24Å; A114-M421 HydrophobicContact CB-SD 4.26Å; I416-M421 HydrophobicContact CG2-CG 4.41Å; I416-M421 HydrophobicContact CG2-SD 3.13Å; I416-M421 WeakPolarHBondContact CG2-SD 3.49Å; P417-M421 PolarHBondContact O-N 3.2Å; P417-M421 VanDerWaalsContact O-N 3.09Å; L418-M421 PolarHBondContact O-N 3.4Å; L418-M421 VanDerWaalsContact O-N 3.17Å; M421-W428 VanDerWaalsContact O-CD1 3.29Å; M421-W428 PolarHBondContact O-NE1 2.93Å; M421-L455 HydrophobicContact CE-CD1 3.82Å; M421-L455 HydrophobicContact CE-CG 4.44Å; M421-L455 HydrophobicContact SD-CD1 4.16Å
422	H	97.2	Very high	96.8	Very high	6 Å²	6	25 Å²	25	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-83.4	-19.4	-176	-65.4	175.7	0	0	0	112.9	R385 L418 L419 K420 W428 A453 L455	R385-H422 HydrophobicContact CG-CB 3.81Å; R385-H422 PolarHBondContact NH1-O 3.18Å; R385-H422 WeakPolarHBondContact O-CB 3.18Å; L418-H422 VanDerWaalsContact O-CB 3.3Å; L418-H422 WeakPolarHBondContact O-CB 3.16Å; L418-H422 PolarHBondContact O-CD2 3.17Å; L418-H422 PolarHBondContact O-N 3.4Å; L419-H422 PolarHBondContact O-N 3.44Å; K420-H422 PolarHBondContact O-N 2.93Å; H422-W428 VanDerWaalsContact O-CD1 3.29Å; H422-W428 PolarHBondContact O-NE1 2.79Å; H422-A453 PolarHBondContact CD2-O 3.28Å; H422-A453 PolarHBondContact NE2-O 3.02Å; H422-L455 PolarHBondContact NE2-N 3.16Å; H422-L455 VanDerWaalsContact NE2-N 3.17Å
423	S	95.5	Very high	96.7	Very high	28 Å²	28	26.6 Å²	26.6	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-104.2	1.7	172.9	70.1	0	0	0	0	114.1	L419 K420 K425 A432	L419-S423 WeakPolarHBondContact O-CB 3.47Å; L419-S423 PolarHBondContact O-N 3.42Å; L419-S423 PolarHBondContact O-OG 3.07Å; K420-S423 PolarHBondContact O-N 3.17Å; S423-K425 PolarHBondContact O-N 2.82Å; S423-A432 WeakPolarHBondContact O-CB 3.27Å
424	D	95.8	Very high	96.6	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	18%	0.175	C	C	.	.			trans	-66.3	115.5	-177.5	-160.4	-50.9	0	0	0	111.8	K420 T426 L427 W428	K420-D424 IonicContact NZ-OD2 3.16Å; K420-D424 PolarHBondContact NZ-OD2 3Å; K420-D424 WeakPolarHBondContact O-CB 3.41Å; K420-D424 PolarHBondContact O-N 3.46Å; D424-T426 PolarHBondContact O-N 3.46Å; D424-T426 WeakPolarHBondContact OD1-CB 3.28Å; D424-T426 PolarHBondContact OD1-N 3.31Å; D424-T426 PolarHBondContact OD1-OG1 3.27Å; D424-L427 HydrophobicContact CB-CB 4.24Å; D424-L427 HydrophobicContact CB-CD1 4Å; D424-L427 HydrophobicContact CB-CG 4.08Å; D424-L427 PolarHBondContact O-N 3.22Å; D424-W428 PolarHBondContact O-N 3.18Å
425	K	96.4	Very high	96.5	Very high	119 Å²	119	32.1 Å²	32.1	52%	0.517	18%	0.178	S	C	.	.	H	α-helix	trans	-64.8	-24.1	-179.3	-65.8	-169.8	176.1	-160.3	0	113.8	S423 L427 G429 A432 D433	S423-K425 PolarHBondContact O-N 2.82Å; K425-L427 VanDerWaalsContact C-N 3.29Å; K425-G429 VanDerWaalsContact CA-O 3.32Å; K425-G429 WeakPolarHBondContact CA-O 3.35Å; K425-G429 WeakPolarHBondContact CB-O 3.42Å; K425-G429 CarbonylContact O-C 3.52Å; K425-G429 VanDerWaalsContact O-CA 3.27Å; K425-G429 WeakPolarHBondContact O-CA 3.06Å; K425-G429 PolarHBondContact O-N 3.37Å; K425-A432 HydrophobicContact CG-CB 3.92Å; K425-D433 IonicContact NZ-OD1 3.95Å
426	T	96.4	Very high	96.5	Very high	100 Å²	100	34.2 Å²	34.2	61%	0.613	19%	0.189	S	C	*	.	H	α-helix	trans	-71.7	-27.3	174.5	69.1	0	0	0	0	112	D424 N449	D424-T426 PolarHBondContact O-N 3.46Å; D424-T426 WeakPolarHBondContact OD1-CB 3.28Å; D424-T426 PolarHBondContact OD1-N 3.31Å; D424-T426 PolarHBondContact OD1-OG1 3.27Å; T426-N449 PolarHBondContact O-ND2 2.91Å
427	L	97.3	Very high	96.6	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-91.6	-43.1	177.5	-61.6	178	0	0	0	111.8	P111 D424 K425 A448 N449 H450 A453	P111-L427 HydrophobicContact CG-CD1 3.5Å; P111-L427 VanDerWaalsContact CG-CD1 3.5Å; P111-L427 HydrophobicContact CG-CD2 3.82Å; P111-L427 HydrophobicContact CG-CG 4.33Å; D424-L427 HydrophobicContact CB-CB 4.24Å; D424-L427 HydrophobicContact CB-CD1 4Å; D424-L427 HydrophobicContact CB-CG 4.08Å; D424-L427 PolarHBondContact O-N 3.22Å; K425-L427 VanDerWaalsContact C-N 3.29Å; L427-A448 CarbonylContact O-C 3.51Å; L427-A448 WeakPolarHBondContact O-CA 3.27Å; L427-A448 VanDerWaalsContact O-CB 3.28Å; L427-A448 WeakPolarHBondContact O-CB 3.32Å; L427-N449 PolarHBondContact O-N 3.06Å; L427-H450 HydrophobicContact CD2-CB 3.91Å; L427-A453 HydrophobicContact CB-CB 4.23Å; L427-A453 HydrophobicContact CD1-CB 4.16Å
428	W	97.5	Very high	96.6	Very high	8 Å²	8	39.2 Å²	39.2	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-105.3	-2.9	-167.8	-65	99	0	0	0	114.6	R385 M421 H422 D424 A432 R439 F440 A447 A448 A453 L454	R385-W428 HydrophobicContact CG-CD2 4.5Å; R385-W428 HydrophobicContact CG-CH2 3.92Å; R385-W428 HydrophobicContact CG-CZ2 3.83Å; R385-W428 HydrophobicContact CG-CZ3 4.34Å; M421-W428 VanDerWaalsContact O-CD1 3.29Å; M421-W428 PolarHBondContact O-NE1 2.93Å; H422-W428 VanDerWaalsContact O-CD1 3.29Å; H422-W428 PolarHBondContact O-NE1 2.79Å; D424-W428 PolarHBondContact O-N 3.18Å; W428-A432 HydrophobicContact CB-CB 3.68Å; W428-R439 PolarHBondContact O-NH1 3.1Å; W428-R439 VanDerWaalsContact O-NH1 3.15Å; W428-F440 HydrophobicContact CH2-CE1 4.45Å; W428-F440 HydrophobicContact CH2-CZ 4.14Å; W428-F440 HydrophobicContact CZ3-CE1 4.43Å; W428-F440 HydrophobicContact CZ3-CZ 4.03Å; W428-A447 HydrophobicContact CZ3-CB 4.09Å; W428-A448 HydrophobicContact CD2-CB 3.95Å; W428-A448 HydrophobicContact CE3-CB 3.8Å; W428-A448 HydrophobicContact CH2-CB 4.24Å; W428-A448 HydrophobicContact CZ2-CB 4.33Å; W428-A448 HydrophobicContact CZ3-CB 3.95Å; W428-A453 HydrophobicContact CZ2-CB 3.89Å; W428-L454 HydrophobicContact CH2-CB 3.83Å; W428-L454 HydrophobicContact CH2-CD1 4.14Å; W428-L454 HydrophobicContact CH2-CD2 4.48Å; W428-L454 HydrophobicContact CH2-CG 4.37Å; W428-L454 HydrophobicContact CZ2-CB 3.98Å; W428-L454 HydrophobicContact CZ2-CD1 4.16Å
429	G	96.3	Very high	96.6	Very high	24 Å²	24	40.3 Å²	40.3	25%	0.247	22%	0.217	C	C	.	.			trans	88.9	178.2	-177.7	0	0	0	0	0	113.3	K425 D431 A432	K425-G429 VanDerWaalsContact CA-O 3.32Å; K425-G429 WeakPolarHBondContact CA-O 3.35Å; K425-G429 WeakPolarHBondContact CB-O 3.42Å; K425-G429 CarbonylContact O-C 3.52Å; K425-G429 VanDerWaalsContact O-CA 3.27Å; K425-G429 WeakPolarHBondContact O-CA 3.06Å; K425-G429 PolarHBondContact O-N 3.37Å; G429-D431 PolarHBondContact O-N 2.89Å; G429-A432 WeakPolarHBondContact O-CB 3.22Å; G429-A432 PolarHBondContact O-N 3.39Å
430	S	95.7	Very high	96.7	Very high	106 Å²	106	40.3 Å²	40.3	74%	0.741	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23	-178	52.5	0	0	0	0	113.6
431	D	95.4	Very high	96.7	Very high	45 Å²	45	40.8 Å²	40.8	24%	0.241	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	18.2	-180	77.3	-29.3	0	0	0	113.2	G429 D433 K434 N436 R439	G429-D431 PolarHBondContact O-N 2.89Å; D431-D433 PolarHBondContact O-N 2.99Å; D431-D433 VanDerWaalsContact O-N 3.1Å; D431-K434 HydrophobicContact CB-CB 4.26Å; D431-K434 HydrophobicContact CB-CG 4.2Å; D431-K434 WeakPolarHBondContact O-CA 3.32Å; D431-K434 WeakPolarHBondContact O-CB 3.39Å; D431-K434 PolarHBondContact O-N 3.42Å; D431-N436 PolarHBondContact OD2-ND2 3.37Å; D431-R439 PolarHBondContact O-NH2 2.9Å; D431-R439 IonicContact OD1-NH1 2.82Å; D431-R439 IonicContact OD1-NH2 3.39Å; D431-R439 IonicContact OD2-NH2 2.96Å; D431-R439 PolarHBondContact OD2-NH2 3.35Å
432	A	96.2	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.5	-177.1	0	0	0	0	0	114	R385 S423 K425 W428 G429 K434	R385-A432 PolarHBondContact NH1-O 2.98Å; R385-A432 PolarHBondContact NH2-O 3.46Å; S423-A432 WeakPolarHBondContact O-CB 3.27Å; K425-A432 HydrophobicContact CG-CB 3.92Å; W428-A432 HydrophobicContact CB-CB 3.68Å; G429-A432 WeakPolarHBondContact O-CB 3.22Å; G429-A432 PolarHBondContact O-N 3.39Å; A432-K434 VanDerWaalsContact C-N 3.32Å
433	D	93.9	Very high	96.6	Very high	34 Å²	34	47.9 Å²	47.9	18%	0.182	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.5	176.4	64.2	-64	0	0	0	113.7	N75 D76 K425 D431	N75-D433 WeakPolarHBondContact CB-O 3.49Å; N75-D433 PolarHBondContact ND2-O 3.15Å; D76-D433 HydrophobicContact CB-CB 4.42Å; K425-D433 IonicContact NZ-OD1 3.95Å; D431-D433 PolarHBondContact O-N 2.99Å; D431-D433 VanDerWaalsContact O-N 3.1Å
434	K	95.8	Very high	96.6	Very high	103 Å²	103	49.3 Å²	49.3	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-100.2	146.3	178.6	-54.3	-53	-179.6	-146.9	0	111.1	R385 D431 A432 N436	R385-K434 PolarHBondContact NH2-O 3.1Å; D431-K434 HydrophobicContact CB-CB 4.26Å; D431-K434 HydrophobicContact CB-CG 4.2Å; D431-K434 WeakPolarHBondContact O-CA 3.32Å; D431-K434 WeakPolarHBondContact O-CB 3.39Å; D431-K434 PolarHBondContact O-N 3.42Å; A432-K434 VanDerWaalsContact C-N 3.32Å; K434-N436 PolarHBondContact O-N 3.36Å
435	F	97.8	Very high	96.5	Very high	14 Å²	14	51.8 Å²	51.8	6%	0.061	30%	0.299	C	S	.	.			trans	-74.5	105.6	168.6	179.1	-106.9	0	0	0	109.4	L340 H344 W347 V379 E382 L386 P437	L340-F435 HydrophobicContact CB-CD2 4.19Å; L340-F435 HydrophobicContact CB-CE2 4.03Å; L340-F435 HydrophobicContact CB-CZ 4.3Å; L340-F435 HydrophobicContact CD1-CD2 3.79Å; L340-F435 HydrophobicContact CD1-CE2 3.8Å; L340-F435 HydrophobicContact CD2-CB 4.1Å; L340-F435 HydrophobicContact CD2-CD2 3.77Å; L340-F435 HydrophobicContact CD2-CE2 4.43Å; L340-F435 HydrophobicContact CD2-CG 4.04Å; L340-F435 HydrophobicContact CG-CD2 4.13Å; L340-F435 HydrophobicContact CG-CE2 4.3Å; H344-F435 HydrophobicContact CB-CD1 4.09Å; H344-F435 HydrophobicContact CB-CE1 4.14Å; H344-F435 AromaticContact CD2-CD1 3.39Å; H344-F435 WeakPolarHBondContact CD2-CD1 3.45Å; H344-F435 AromaticContact CD2-CG 3.86Å; H344-F435 AromaticContact CG-CD1 3.6Å; H344-F435 WeakPolarHBondContact NE2-CB 3.34Å; H344-F435 AromaticContact NE2-CD1 3.84Å; W347-F435 HydrophobicContact CB-CE1 4.22Å; W347-F435 AromaticContact CD1-CE1 3.75Å; W347-F435 HydrophobicContact CD2-CE1 4.4Å; W347-F435 AromaticContact CG-CE1 3.83Å; W347-F435 HydrophobicContact CG-CE1 3.83Å; V379-F435 HydrophobicContact CG1-CZ 4.07Å; V379-F435 HydrophobicContact CG2-CZ 4.18Å; E382-F435 HydrophobicContact CB-CD2 4.28Å; E382-F435 HydrophobicContact CB-CE2 4.02Å; E382-F435 HydrophobicContact CG-CD2 3.5Å; E382-F435 VanDerWaalsContact CG-CD2 3.5Å; E382-F435 HydrophobicContact CG-CE2 3.76Å; E382-F435 HydrophobicContact CG-CG 4.36Å; L386-F435 HydrophobicContact CD1-CB 4.14Å; L386-F435 HydrophobicContact CD1-CD2 4.03Å; F435-P437 HydrophobicContact CD1-CG 4.13Å; F435-P437 HydrophobicContact CD2-CG 4.42Å; F435-P437 HydrophobicContact CE1-CG 3.48Å; F435-P437 VanDerWaalsContact CE1-CG 3.48Å; F435-P437 HydrophobicContact CE2-CG 3.81Å; F435-P437 HydrophobicContact CZ-CG 3.3Å
436	N	97.5	Very high	96.6	Very high	49 Å²	49	55.1 Å²	55.1	26%	0.262	31%	0.308	S	S	.	.			trans	-136.2	84.2	179.2	179.3	7.8	0	0	0	110.7	E382 D431 K434 M438 R439	E382-N436 PolarHBondContact OE1-N 3.06Å; D431-N436 PolarHBondContact OD2-ND2 3.37Å; K434-N436 PolarHBondContact O-N 3.36Å; N436-M438 PolarHBondContact O-N 3.13Å; N436-M438 VanDerWaalsContact O-N 3.16Å; N436-M438 WeakPolarHBondContact OD1-CB 3.44Å; N436-M438 PolarHBondContact OD1-N 3.11Å; N436-R439 VanDerWaalsContact O-CG 3.29Å; N436-R439 WeakPolarHBondContact O-CG 3.47Å; N436-R439 PolarHBondContact O-N 3.15Å; N436-R439 PolarHBondContact O-NE 2.85Å
437	P	98.5	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.9	177.5	-24.3	32.4	0	0	0	114.4	W347 M378 V379 E382 F435 R439 F440	W347-P437 HydrophobicContact CD2-CB 4.36Å; W347-P437 HydrophobicContact CD2-CG 3.75Å; W347-P437 VanDerWaalsContact CE2-CD 3.5Å; W347-P437 HydrophobicContact CE3-CB 4.16Å; W347-P437 HydrophobicContact CE3-CG 3.97Å; W347-P437 HydrophobicContact CG-CG 4.42Å; W347-P437 HydrophobicContact CH2-CB 3.53Å; W347-P437 HydrophobicContact CH2-CG 3.95Å; W347-P437 HydrophobicContact CZ2-CB 3.72Å; W347-P437 HydrophobicContact CZ2-CG 3.7Å; W347-P437 HydrophobicContact CZ3-CB 3.75Å; W347-P437 HydrophobicContact CZ3-CG 4.06Å; M378-P437 HydrophobicContact CB-CB 3.9Å; M378-P437 WeakPolarHBondContact CB-O 3.33Å; V379-P437 HydrophobicContact CG2-CB 4.02Å; V379-P437 HydrophobicContact CG2-CG 3.79Å; E382-P437 HydrophobicContact CB-CB 4.39Å; E382-P437 HydrophobicContact CB-CG 4.28Å; E382-P437 HydrophobicContact CG-CG 4.4Å; F435-P437 HydrophobicContact CD1-CG 4.13Å; F435-P437 HydrophobicContact CD2-CG 4.42Å; F435-P437 HydrophobicContact CE1-CG 3.48Å; F435-P437 VanDerWaalsContact CE1-CG 3.48Å; F435-P437 HydrophobicContact CE2-CG 3.81Å; F435-P437 HydrophobicContact CZ-CG 3.3Å; P437-R439 PolarHBondContact O-N 2.78Å; P437-F440 PolarHBondContact O-N 3.42Å
438	M	98	Very high	96.6	Very high	105 Å²	105	50.6 Å²	50.6	52%	0.517	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.5	-18.3	-179.8	-74	-60.9	-65.8	0	0	113.5	W347 N436 F440 A441	W347-M438 HydrophobicContact CH2-CG 3.84Å; W347-M438 HydrophobicContact CH2-SD 4Å; W347-M438 HydrophobicContact CZ2-CG 3.89Å; N436-M438 PolarHBondContact O-N 3.13Å; N436-M438 VanDerWaalsContact O-N 3.16Å; N436-M438 WeakPolarHBondContact OD1-CB 3.44Å; N436-M438 PolarHBondContact OD1-N 3.11Å; M438-F440 PolarHBondContact O-N 2.95Å; M438-F440 VanDerWaalsContact O-N 3.12Å; M438-A441 HydrophobicContact CE-CB 4.08Å; M438-A441 WeakPolarHBondContact O-CB 3.37Å; M438-A441 PolarHBondContact O-N 3.1Å
439	R	97.4	Very high	96.6	Very high	29 Å²	29	56.4 Å²	56.4	11%	0.109	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-56.6	-28.3	171.5	76.1	178	71.4	-100.6	5.2	112.4	E382 W428 D431 N436 P437 A447	E382-R439 VanDerWaalsContact CD-NE 3.33Å; E382-R439 IonicContact OE1-CZ 3.04Å; E382-R439 IonicContact OE1-NE 2.96Å; E382-R439 PolarHBondContact OE1-NE 3.2Å; E382-R439 IonicContact OE1-NH2 3.85Å; E382-R439 PolarHBondContact OE1-NH2 2.94Å; E382-R439 WeakPolarHBondContact OE2-CD 3.33Å; E382-R439 IonicContact OE2-NE 3.1Å; E382-R439 PolarHBondContact OE2-NE 2.87Å; W428-R439 PolarHBondContact O-NH1 3.1Å; W428-R439 VanDerWaalsContact O-NH1 3.15Å; D431-R439 PolarHBondContact O-NH2 2.9Å; D431-R439 IonicContact OD1-NH1 2.82Å; D431-R439 IonicContact OD1-NH2 3.39Å; D431-R439 IonicContact OD2-NH2 2.96Å; D431-R439 PolarHBondContact OD2-NH2 3.35Å; N436-R439 VanDerWaalsContact O-CG 3.29Å; N436-R439 WeakPolarHBondContact O-CG 3.47Å; N436-R439 PolarHBondContact O-N 3.15Å; N436-R439 PolarHBondContact O-NE 2.85Å; P437-R439 PolarHBondContact O-N 2.78Å; R439-A447 HydrophobicContact CG-CB 4.29Å; R439-A447 WeakPolarHBondContact O-CA 3.36Å; R439-A447 WeakPolarHBondContact O-CB 3.33Å
440	F	98.1	Very high	96.6	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.031	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-89.4	5.4	179.2	-63.9	-73.8	0	0	0	114.5	M378 M381 E382 W428 P437 M438 N442 G443 V444 A447 L454	M378-F440 HydrophobicContact CB-CB 4.15Å; M378-F440 HydrophobicContact CG-CB 3.91Å; M381-F440 HydrophobicContact CB-CD1 3.91Å; M381-F440 HydrophobicContact CB-CD2 3.86Å; M381-F440 HydrophobicContact CB-CE1 3.95Å; M381-F440 HydrophobicContact CB-CE2 3.88Å; M381-F440 HydrophobicContact CB-CG 3.88Å; M381-F440 HydrophobicContact CB-CZ 3.93Å; E382-F440 HydrophobicContact CB-CD2 4.17Å; E382-F440 HydrophobicContact CB-CE2 3.84Å; E382-F440 VanDerWaalsContact OE2-CE2 3.29Å; E382-F440 WeakPolarHBondContact OE2-CE2 3.47Å; W428-F440 HydrophobicContact CH2-CE1 4.45Å; W428-F440 HydrophobicContact CH2-CZ 4.14Å; W428-F440 HydrophobicContact CZ3-CE1 4.43Å; W428-F440 HydrophobicContact CZ3-CZ 4.03Å; P437-F440 PolarHBondContact O-N 3.42Å; M438-F440 PolarHBondContact O-N 2.95Å; M438-F440 VanDerWaalsContact O-N 3.12Å; F440-N442 PolarHBondContact O-N 3.4Å; F440-N442 VanDerWaalsContact O-N 3.16Å; F440-G443 PolarHBondContact O-N 3.21Å; F440-V444 HydrophobicContact CD1-CG2 4.2Å; F440-V444 HydrophobicContact CE1-CG2 4.46Å; F440-A447 HydrophobicContact CD1-CB 3.41Å; F440-A447 VanDerWaalsContact CD1-CB 3.41Å; F440-A447 HydrophobicContact CE1-CB 3.41Å; F440-A447 VanDerWaalsContact CE1-CB 3.41Å; F440-A447 HydrophobicContact CG-CB 4.18Å; F440-A447 HydrophobicContact CZ-CB 4.18Å; F440-L454 HydrophobicContact CE1-CD2 3.64Å; F440-L454 HydrophobicContact CZ-CD2 3.82Å
441	A	97.4	Very high	96.6	Very high	42 Å²	42	55.6 Å²	55.6	35%	0.347	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.2	-177.4	0	0	0	0	0	113.4	M378 M438	M378-A441 HydrophobicContact CE-CB 4.28Å; M378-A441 HydrophobicContact SD-CB 4.27Å; M438-A441 HydrophobicContact CE-CB 4.08Å; M438-A441 WeakPolarHBondContact O-CB 3.37Å; M438-A441 PolarHBondContact O-N 3.1Å
442	N	96.3	Very high	96.6	Very high	124 Å²	124	54.8 Å²	54.8	66%	0.663	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	18.6	-179.7	-62	-54.9	0	0	0	113.3	F440 R446	F440-N442 PolarHBondContact O-N 3.4Å; F440-N442 VanDerWaalsContact O-N 3.16Å; N442-R446 HydrophobicContact CB-CB 4.23Å
443	G	95.6	Very high	96.6	Very high	31 Å²	31	54.8 Å²	54.8	32%	0.32	30%	0.295	S	S	.	.			trans	88.6	163.7	-179.8	0	0	0	0	0	114.6	F440 S445 R446 A447	F440-G443 PolarHBondContact O-N 3.21Å; G443-S445 PolarHBondContact O-N 2.91Å; G443-R446 PolarHBondContact O-N 3.26Å; G443-R446 VanDerWaalsContact O-N 3.16Å; G443-A447 PolarHBondContact O-N 3.45Å
444	V	95.6	Very high	96.8	Very high	58 Å²	58	54 Å²	54	35%	0.352	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.4	-39.5	-171.1	176.6	0	0	0	0	113.3	M381 F440 R446 A447 L454	M381-V444 HydrophobicContact CE-CG2 3.9Å; M381-V444 HydrophobicContact CG-CG2 4.33Å; F440-V444 HydrophobicContact CD1-CG2 4.2Å; F440-V444 HydrophobicContact CE1-CG2 4.46Å; V444-R446 PolarHBondContact O-N 3.29Å; V444-A447 WeakPolarHBondContact O-CB 3.34Å; V444-A447 PolarHBondContact O-N 3.34Å; V444-L454 HydrophobicContact CG1-CB 4.12Å; V444-L454 HydrophobicContact CG1-CD2 3.9Å
445	S	94.5	Very high	96.9	Very high	70 Å²	70	49.2 Å²	49.2	49%	0.49	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-71.2	-11.7	-178.2	58	0	0	0	0	114.2	G443 P451	G443-S445 PolarHBondContact O-N 2.91Å; S445-P451 VanDerWaalsContact O-CA 3.32Å; S445-P451 WeakPolarHBondContact O-CA 3.44Å
446	R	96.6	Very high	96.8	Very high	190 Å²	190	50 Å²	50	72%	0.717	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-112.6	3.3	177.3	-60.6	-173.7	-172.1	-176.6	4.2	113	N442 G443 V444 A448	N442-R446 HydrophobicContact CB-CB 4.23Å; G443-R446 PolarHBondContact O-N 3.26Å; G443-R446 VanDerWaalsContact O-N 3.16Å; V444-R446 PolarHBondContact O-N 3.29Å; R446-A448 PolarHBondContact O-N 2.73Å
447	A	97.4	Very high	96.8	Very high	8 Å²	8	48.7 Å²	48.7	7%	0.066	27%	0.271	C	S	.	.	S	Bend	trans	-76.5	-11.6	-175.3	0	0	0	0	0	114.4	W428 R439 F440 G443 V444	W428-A447 HydrophobicContact CZ3-CB 4.09Å; R439-A447 HydrophobicContact CG-CB 4.29Å; R439-A447 WeakPolarHBondContact O-CA 3.36Å; R439-A447 WeakPolarHBondContact O-CB 3.33Å; F440-A447 HydrophobicContact CD1-CB 3.41Å; F440-A447 VanDerWaalsContact CD1-CB 3.41Å; F440-A447 HydrophobicContact CE1-CB 3.41Å; F440-A447 VanDerWaalsContact CE1-CB 3.41Å; F440-A447 HydrophobicContact CG-CB 4.18Å; F440-A447 HydrophobicContact CZ-CB 4.18Å; G443-A447 PolarHBondContact O-N 3.45Å; V444-A447 WeakPolarHBondContact O-CB 3.34Å; V444-A447 PolarHBondContact O-N 3.34Å
448	A	97.7	Very high	96.7	Very high	16 Å²	16	49.7 Å²	49.7	13%	0.132	28%	0.278	C	S	.	.	S	Bend	trans	-142	167.5	-178.8	0	0	0	0	0	109.3	L427 W428 R446 H450 A453	L427-A448 CarbonylContact O-C 3.51Å; L427-A448 WeakPolarHBondContact O-CA 3.27Å; L427-A448 VanDerWaalsContact O-CB 3.28Å; L427-A448 WeakPolarHBondContact O-CB 3.32Å; W428-A448 HydrophobicContact CD2-CB 3.95Å; W428-A448 HydrophobicContact CE3-CB 3.8Å; W428-A448 HydrophobicContact CH2-CB 4.24Å; W428-A448 HydrophobicContact CZ2-CB 4.33Å; W428-A448 HydrophobicContact CZ3-CB 3.95Å; R446-A448 PolarHBondContact O-N 2.73Å; A448-H450 PolarHBondContact O-N 3.29Å; A448-A453 HydrophobicContact CB-CB 3.53Å
449	N	96.3	Very high	96.6	Very high	129 Å²	129	46.3 Å²	46.3	69%	0.69	26%	0.263	S	S	*	.	S	Bend	trans	-63.7	-11.3	174.9	-67.3	-25.3	0	0	0	113.3	T426 L427	T426-N449 PolarHBondContact O-ND2 2.91Å; L427-N449 PolarHBondContact O-N 3.06Å
450	H	96.8	Very high	96.4	Very high	42 Å²	42	46.5 Å²	46.5	19%	0.194	27%	0.274	C	S	.	.	S	Bend	trans	-130.6	133.1	174.4	-165.6	-91.4	0	0	0	111.5	P111 E112 L427 A448 N452 A453	P111-H450 HydrophobicContact CB-CB 4.42Å; P111-H450 VanDerWaalsContact CB-ND1 3.31Å; P111-H450 WeakPolarHBondContact CB-ND1 3.23Å; P111-H450 HydrophobicContact CG-CB 4.44Å; E112-H450 IonicContact OE2-CE1 3.75Å; E112-H450 PolarHBondContact OE2-CE1 3.35Å; E112-H450 IonicContact OE2-NE2 3.53Å; E112-H450 PolarHBondContact OE2-NE2 2.86Å; L427-H450 HydrophobicContact CD2-CB 3.91Å; A448-H450 PolarHBondContact O-N 3.29Å; H450-N452 PolarHBondContact ND1-N 3.16Å; H450-N452 PolarHBondContact O-N 3.06Å; H450-A453 HydrophobicContact CB-CB 4.41Å; H450-A453 WeakPolarHBondContact O-CB 3.37Å; H450-A453 PolarHBondContact O-N 2.82Å; H450-A453 VanDerWaalsContact O-N 3.09Å
451	P	95.9	Very high	96.2	Very high	71 Å²	71	48.4 Å²	48.4	46%	0.461	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	-174.7	24.3	-34.3	0	0	0	114.9	S445	S445-P451 VanDerWaalsContact O-CA 3.32Å; S445-P451 WeakPolarHBondContact O-CA 3.44Å
452	N	95	Very high	96.1	Very high	28 Å²	28	48.5 Å²	48.5	15%	0.15	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	19.6	179.5	-53.7	-75.9	0	0	0	112.9	K115 H450 L454	K115-N452 HydrophobicContact CB-CB 4.27Å; K115-N452 HydrophobicContact CD-CB 4.24Å; K115-N452 WeakPolarHBondContact CD-ND2 3.46Å; H450-N452 PolarHBondContact ND1-N 3.16Å; H450-N452 PolarHBondContact O-N 3.06Å; N452-L454 VanDerWaalsContact C-N 3.29Å
453	A	96.9	Very high	96	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	26%	0.256	C	S	.	.	S	Bend	trans	-64.9	-35	176.6	0	0	0	0	0	111.9	H422 L427 W428 A448 H450	H422-A453 PolarHBondContact CD2-O 3.28Å; H422-A453 PolarHBondContact NE2-O 3.02Å; L427-A453 HydrophobicContact CB-CB 4.23Å; L427-A453 HydrophobicContact CD1-CB 4.16Å; W428-A453 HydrophobicContact CZ2-CB 3.89Å; A448-A453 HydrophobicContact CB-CB 3.53Å; H450-A453 HydrophobicContact CB-CB 4.41Å; H450-A453 WeakPolarHBondContact O-CB 3.37Å; H450-A453 PolarHBondContact O-N 2.82Å; H450-A453 VanDerWaalsContact O-N 3.09Å
454	L	97.6	Very high	96.1	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	26%	0.258	C	S	.	.			trans	-91.7	122.7	175.5	-165.5	58.8	0	0	0	111.6	M381 R385 W428 F440 V444 N452 A456	M381-L454 HydrophobicContact CE-CD2 3.35Å; M381-L454 HydrophobicContact CE-CG 4.48Å; R385-L454 HydrophobicContact CB-CD1 3.82Å; R385-L454 HydrophobicContact CG-CD1 4.05Å; W428-L454 HydrophobicContact CH2-CB 3.83Å; W428-L454 HydrophobicContact CH2-CD1 4.14Å; W428-L454 HydrophobicContact CH2-CD2 4.48Å; W428-L454 HydrophobicContact CH2-CG 4.37Å; W428-L454 HydrophobicContact CZ2-CB 3.98Å; W428-L454 HydrophobicContact CZ2-CD1 4.16Å; F440-L454 HydrophobicContact CE1-CD2 3.64Å; F440-L454 HydrophobicContact CZ-CD2 3.82Å; V444-L454 HydrophobicContact CG1-CB 4.12Å; V444-L454 HydrophobicContact CG1-CD2 3.9Å; N452-L454 VanDerWaalsContact C-N 3.29Å; L454-A456 HydrophobicContact CD1-CB 4.21Å; L454-A456 HydrophobicContact CD2-CB 4.5Å; L454-A456 HydrophobicContact CG-CB 4.13Å
455	L	97	Very high	96.2	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	25%	0.248	C	C	.	.			trans	-124.4	34.6	178.5	-65.3	176.4	0	0	0	111.3	A114 L118 I416 L418 M421 H422 F457 S458 V459	A114-L455 HydrophobicContact CB-CD1 4.14Å; L118-L455 HydrophobicContact CD1-CD1 4.02Å; L118-L455 HydrophobicContact CD1-CD2 4.35Å; I416-L455 HydrophobicContact CG2-CD1 4.38Å; L418-L455 HydrophobicContact CD2-CB 3.72Å; L418-L455 HydrophobicContact CD2-CD1 3.99Å; L418-L455 HydrophobicContact CD2-CG 4.48Å; M421-L455 HydrophobicContact CE-CD1 3.82Å; M421-L455 HydrophobicContact CE-CG 4.44Å; M421-L455 HydrophobicContact SD-CD1 4.16Å; H422-L455 PolarHBondContact NE2-N 3.16Å; H422-L455 VanDerWaalsContact NE2-N 3.17Å; L455-F457 PolarHBondContact O-N 3.24Å; L455-S458 PolarHBondContact O-N 3.31Å; L455-V459 HydrophobicContact CD2-CB 4.36Å; L455-V459 HydrophobicContact CD2-CG1 3.73Å; L455-V459 HydrophobicContact CD2-CG2 3.84Å
456	A	96.8	Very high	96.2	Very high	30 Å²	30	40.3 Å²	40.3	25%	0.248	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-40	-177.3	0	0	0	0	0	113.2	M381 L384 L454	M381-A456 HydrophobicContact CE-CB 4.47Å; L384-A456 HydrophobicContact CB-CB 3.89Å; L384-A456 HydrophobicContact CD1-CB 4.18Å; L384-A456 HydrophobicContact CG-CB 4.45Å; L454-A456 HydrophobicContact CD1-CB 4.21Å; L454-A456 HydrophobicContact CD2-CB 4.5Å; L454-A456 HydrophobicContact CG-CB 4.13Å
457	F	97.4	Very high	96.2	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.096	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	17.3	177.1	-63.2	-73.3	0	0	0	112.8	L384 L455 C464 Q467 V470 M471	L384-F457 HydrophobicContact CD1-CE2 3.56Å; L384-F457 HydrophobicContact CD1-CZ 3.61Å; L455-F457 PolarHBondContact O-N 3.24Å; F457-C464 HydrophobicContact CB-CB 3.9Å; F457-C464 HydrophobicContact CD1-CB 3.92Å; F457-C464 HydrophobicContact CG-CB 4.41Å; F457-C464 WeakPolarHBondContact O-CB 3.32Å; F457-C464 PolarHBondContact O-N 2.92Å; F457-Q467 HydrophobicContact CB-CB 4.25Å; F457-Q467 HydrophobicContact CB-CG 4.2Å; F457-Q467 HydrophobicContact CD1-CB 3.79Å; F457-Q467 HydrophobicContact CD1-CG 3.89Å; F457-Q467 HydrophobicContact CD2-CB 4.39Å; F457-Q467 HydrophobicContact CD2-CG 3.62Å; F457-Q467 HydrophobicContact CE1-CB 4.21Å; F457-Q467 HydrophobicContact CE1-CG 4.13Å; F457-Q467 HydrophobicContact CE2-CG 3.87Å; F457-Q467 HydrophobicContact CG-CB 3.88Å; F457-Q467 HydrophobicContact CG-CG 3.62Å; F457-Q467 HydrophobicContact CZ-CG 4.11Å; F457-V470 HydrophobicContact CE1-CB 4.23Å; F457-V470 HydrophobicContact CE1-CG1 4.19Å; F457-V470 HydrophobicContact CZ-CG1 4.3Å; F457-M471 HydrophobicContact CE2-CG 4.47Å; F457-M471 HydrophobicContact CE2-SD 4.06Å; F457-M471 HydrophobicContact CZ-CG 4.3Å; F457-M471 HydrophobicContact CZ-SD 3.98Å
458	S	96.4	Very high	96.1	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	23%	0.23	C	C	.	.			trans	56.3	-178.2	-166.4	-175	0	0	0	0	112.1	L455	L455-S458 PolarHBondContact O-N 3.31Å
459	V	95.5	Very high	95.9	Very high	35 Å²	35	38 Å²	38	21%	0.212	23%	0.225	C	C	.	.			trans	-133	173.9	170.5	-64.3	0	0	0	0	110.6	L118 L455	L118-V459 HydrophobicContact CB-CG2 3.88Å; L118-V459 HydrophobicContact CD1-CG2 4.04Å; L455-V459 HydrophobicContact CD2-CB 4.36Å; L455-V459 HydrophobicContact CD2-CG1 3.73Å; L455-V459 HydrophobicContact CD2-CG2 3.84Å
460	G	94.5	Very high	95.9	Very high	32 Å²	32	32.3 Å²	32.3	33%	0.33	20%	0.195	S	C	.	.	S	Bend	trans	79.1	-165.1	175.9	0	0	0	0	0	114.2	R462 A463	G460-R462 PolarHBondContact O-N 3.06Å; G460-R462 VanDerWaalsContact O-N 3.1Å; G460-A463 WeakPolarHBondContact O-CB 3.39Å; G460-A463 PolarHBondContact O-N 3.2Å
461	P	93.5	Very high	95.9	Very high	48 Å²	48	31.2 Å²	31.2	31%	0.312	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.6	-176.5	-25.6	34.4	0	0	0	113.5	L118 K121 W151	L118-P461 WeakPolarHBondContact O-CD 3.11Å; K121-P461 HydrophobicContact CG-CG 4.27Å; W151-P461 HydrophobicContact CH2-CB 3.9Å; W151-P461 WeakPolarHBondContact CH2-O 3.48Å; W151-P461 WeakPolarHBondContact CZ2-O 3.4Å; W151-P461 HydrophobicContact CZ3-CB 4.25Å
462	R	94.2	Very high	95.9	Very high	43 Å²	43	29.3 Å²	29.3	16%	0.162	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	15.7	-178.2	-66.4	-83	-173.3	152.7	1.6	113.4	L143 I146 E147 W151 G460	L143-R462 PolarHBondContact O-NH1 2.99Å; I146-R462 VanDerWaalsContact O-CZ 3.32Å; I146-R462 PolarHBondContact O-NH1 2.85Å; I146-R462 PolarHBondContact O-NH2 3.4Å; E147-R462 IonicContact OE1-CZ 3.63Å; E147-R462 IonicContact OE1-NH2 3.86Å; E147-R462 PolarHBondContact OE1-NH2 3.15Å; E147-R462 VanDerWaalsContact OE1-NH2 3.16Å; E147-R462 IonicContact OE2-CZ 3.56Å; E147-R462 IonicContact OE2-NH2 2.73Å; E147-R462 PolarHBondContact OE2-NH2 3.14Å; W151-R462 VanDerWaalsContact CG-CZ 3.48Å; W151-R462 HydrophobicContact CZ2-CG 4.27Å; W151-R462 VanDerWaalsContact NE1-CZ 3.34Å; G460-R462 PolarHBondContact O-N 3.06Å; G460-R462 VanDerWaalsContact O-N 3.1Å
463	A	95.7	Very high	96	Very high	23 Å²	23	28 Å²	28	19%	0.19	17%	0.168	C	C	.	.	S	Bend	trans	-54.4	147.5	171.7	0	0	0	0	0	111	R155 G460 I465	R155-A463 PolarHBondContact NH1-O 3.41Å; R155-A463 PolarHBondContact NH2-O 3.37Å; G460-A463 WeakPolarHBondContact O-CB 3.39Å; G460-A463 PolarHBondContact O-N 3.2Å; A463-I465 PolarHBondContact O-N 2.82Å
464	C	97.4	Very high	96	Very high	54 Å²	54	27.9 Å²	27.9	37%	0.365	17%	0.168	S	C	.	.			trans	-54.2	123	-176.1	-173.2	0	0	0	0	110.3	F457 G466 Q467	F457-C464 HydrophobicContact CB-CB 3.9Å; F457-C464 HydrophobicContact CD1-CB 3.92Å; F457-C464 HydrophobicContact CG-CB 4.41Å; F457-C464 WeakPolarHBondContact O-CB 3.32Å; F457-C464 PolarHBondContact O-N 2.92Å; C464-G466 VanDerWaalsContact C-N 3.27Å; C464-G466 PolarHBondContact O-N 3.24Å; C464-Q467 HydrophobicContact CB-CB 4.5Å
465	I	96.2	Very high	96	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.128	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.5	177.7	-159.7	174.7	0	0	0	111.6	L143 R155 L158 F162 F322 A463 Q467	L143-I465 HydrophobicContact CD2-CD1 4.17Å; L143-I465 HydrophobicContact CD2-CG2 4.27Å; R155-I465 VanDerWaalsContact CZ-CB 3.42Å; R155-I465 VanDerWaalsContact NH2-CA 3.34Å; L158-I465 HydrophobicContact CB-CD1 3.76Å; F162-I465 HydrophobicContact CD2-CB 4.47Å; F162-I465 HydrophobicContact CD2-CD1 3.6Å; F162-I465 HydrophobicContact CD2-CG1 3.56Å; F162-I465 HydrophobicContact CD2-CG2 4.31Å; F162-I465 HydrophobicContact CE2-CD1 3.79Å; F162-I465 HydrophobicContact CE2-CG1 3.99Å; F162-I465 HydrophobicContact CE2-CG2 3.94Å; F162-I465 HydrophobicContact CG-CG1 4.1Å; F162-I465 HydrophobicContact CZ-CG2 4.14Å; F322-I465 HydrophobicContact CE1-CG2 3.79Å; F322-I465 HydrophobicContact CZ-CG2 4.23Å; A463-I465 PolarHBondContact O-N 2.82Å; I465-Q467 VanDerWaalsContact C-N 3.33Å; I465-Q467 PolarHBondContact O-N 3.22Å
466	G	95.9	Very high	96	Very high	10 Å²	10	28 Å²	28	10%	0.103	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8	-176	0	0	0	0	0	114.5	C464 N468 F469 V470	C464-G466 VanDerWaalsContact C-N 3.27Å; C464-G466 PolarHBondContact O-N 3.24Å; G466-N468 VanDerWaalsContact C-N 3.32Å; G466-N468 PolarHBondContact O-N 3.18Å; G466-F469 WeakPolarHBondContact O-CB 3.36Å; G466-F469 PolarHBondContact O-N 2.81Å; G466-V470 WeakPolarHBondContact O-CG2 3.48Å; G466-V470 PolarHBondContact O-N 2.87Å
467	Q	95.9	Very high	96.1	Very high	76 Å²	76	26.6 Å²	26.6	36%	0.355	16%	0.156	S	C	.	.	H	α-helix	trans	-51.4	-49.8	-175.7	172.6	175.2	-9.6	0	0	112.3	F457 C464 I465 F469 V470 M471	F457-Q467 HydrophobicContact CB-CB 4.25Å; F457-Q467 HydrophobicContact CB-CG 4.2Å; F457-Q467 HydrophobicContact CD1-CB 3.79Å; F457-Q467 HydrophobicContact CD1-CG 3.89Å; F457-Q467 HydrophobicContact CD2-CB 4.39Å; F457-Q467 HydrophobicContact CD2-CG 3.62Å; F457-Q467 HydrophobicContact CE1-CB 4.21Å; F457-Q467 HydrophobicContact CE1-CG 4.13Å; F457-Q467 HydrophobicContact CE2-CG 3.87Å; F457-Q467 HydrophobicContact CG-CB 3.88Å; F457-Q467 HydrophobicContact CG-CG 3.62Å; F457-Q467 HydrophobicContact CZ-CG 4.11Å; C464-Q467 HydrophobicContact CB-CB 4.5Å; I465-Q467 VanDerWaalsContact C-N 3.33Å; I465-Q467 PolarHBondContact O-N 3.22Å; Q467-F469 VanDerWaalsContact C-N 3.34Å; Q467-F469 PolarHBondContact O-N 3.09Å; Q467-V470 PolarHBondContact O-N 3.3Å; Q467-M471 VanDerWaalsContact O-CG 3.29Å; Q467-M471 WeakPolarHBondContact O-CG 3.28Å; Q467-M471 PolarHBondContact O-N 3.05Å
468	N	94.8	Very high	96.1	Very high	82 Å²	82	25.6 Å²	25.6	44%	0.439	15%	0.151	S	C	.	.	H	α-helix	trans	-67.4	-36.1	-179.1	-65.8	-26	0	0	0	112.2	L167 G466 M471 I472	L167-N468 HydrophobicContact CD1-CB 3.38Å; G466-N468 VanDerWaalsContact C-N 3.32Å; G466-N468 PolarHBondContact O-N 3.18Å; N468-M471 PolarHBondContact O-N 3.41Å; N468-I472 WeakPolarHBondContact O-CB 3.47Å; N468-I472 VanDerWaalsContact O-CG1 3.31Å; N468-I472 WeakPolarHBondContact O-CG1 3.12Å; N468-I472 PolarHBondContact O-N 3.32Å
469	F	94.9	Very high	96.2	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-51.5	174.6	178.3	-89	0	0	0	110.9	F162 L167 M170 M174 I214 I215 G466 Q467 M471 I472 E473	F162-F469 HydrophobicContact CD1-CB 4.19Å; F162-F469 HydrophobicContact CE1-CB 4.35Å; L167-F469 HydrophobicContact CD2-CB 3.79Å; L167-F469 HydrophobicContact CD2-CD2 3.87Å; L167-F469 HydrophobicContact CD2-CG 4.34Å; M170-F469 HydrophobicContact SD-CD2 3.78Å; M170-F469 HydrophobicContact SD-CE2 3.81Å; M174-F469 HydrophobicContact CE-CD1 4.37Å; M174-F469 HydrophobicContact CE-CD2 3.46Å; M174-F469 VanDerWaalsContact CE-CD2 3.46Å; M174-F469 HydrophobicContact CE-CE1 4.14Å; M174-F469 HydrophobicContact CE-CE2 3.17Å; M174-F469 HydrophobicContact CE-CG 4.07Å; M174-F469 HydrophobicContact CE-CZ 3.56Å; I214-F469 HydrophobicContact CG2-CZ 3.98Å; I215-F469 HydrophobicContact CD1-CE1 4.17Å; I215-F469 HydrophobicContact CD1-CZ 3.93Å; G466-F469 WeakPolarHBondContact O-CB 3.36Å; G466-F469 PolarHBondContact O-N 2.81Å; Q467-F469 VanDerWaalsContact C-N 3.34Å; Q467-F469 PolarHBondContact O-N 3.09Å; F469-M471 VanDerWaalsContact C-N 3.33Å; F469-M471 PolarHBondContact O-N 3.05Å; F469-I472 PolarHBondContact O-N 3.15Å; F469-E473 WeakPolarHBondContact CE1-OE2 3.38Å; F469-E473 WeakPolarHBondContact O-CB 3.42Å; F469-E473 PolarHBondContact O-N 3.13Å
470	V	96.1	Very high	96.3	Very high	10 Å²	10	22.9 Å²	22.9	6%	0.061	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-42.9	179.3	174	0	0	0	0	111.2	T330 L333 F457 G466 Q467 I472 E473 A474	T330-V470 HydrophobicContact CG2-CG1 4.49Å; L333-V470 HydrophobicContact CD2-CG1 3.76Å; F457-V470 HydrophobicContact CE1-CB 4.23Å; F457-V470 HydrophobicContact CE1-CG1 4.19Å; F457-V470 HydrophobicContact CZ-CG1 4.3Å; G466-V470 WeakPolarHBondContact O-CG2 3.48Å; G466-V470 PolarHBondContact O-N 2.87Å; Q467-V470 PolarHBondContact O-N 3.3Å; V470-I472 PolarHBondContact O-N 3.28Å; V470-E473 PolarHBondContact O-N 2.71Å; V470-A474 VanDerWaalsContact O-CB 3.25Å; V470-A474 WeakPolarHBondContact O-CB 3.09Å; V470-A474 PolarHBondContact O-N 3.1Å
471	M	96.4	Very high	96.5	Very high	19 Å²	19	21.4 Å²	21.4	9%	0.094	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-38.3	179.3	-69.3	-57	-62.4	0	0	112.4	N377 I380 M381 F457 Q467 N468 F469 K475	N377-M471 VanDerWaalsContact OD1-CE 3.26Å; N377-M471 WeakPolarHBondContact OD1-CE 3.47Å; I380-M471 HydrophobicContact CB-CE 4.21Å; I380-M471 HydrophobicContact CD1-CE 4.36Å; I380-M471 HydrophobicContact CG2-CE 3.73Å; I380-M471 HydrophobicContact CG2-SD 3.71Å; M381-M471 HydrophobicContact SD-CE 4.3Å; M381-M471 HydrophobicContact SD-SD 4.36Å; F457-M471 HydrophobicContact CE2-CG 4.47Å; F457-M471 HydrophobicContact CE2-SD 4.06Å; F457-M471 HydrophobicContact CZ-CG 4.3Å; F457-M471 HydrophobicContact CZ-SD 3.98Å; Q467-M471 VanDerWaalsContact O-CG 3.29Å; Q467-M471 WeakPolarHBondContact O-CG 3.28Å; Q467-M471 PolarHBondContact O-N 3.05Å; N468-M471 PolarHBondContact O-N 3.41Å; F469-M471 VanDerWaalsContact C-N 3.33Å; F469-M471 PolarHBondContact O-N 3.05Å; M471-K475 VanDerWaalsContact O-CB 3.31Å; M471-K475 WeakPolarHBondContact O-CB 3.32Å; M471-K475 WeakPolarHBondContact O-CG 3.23Å; M471-K475 PolarHBondContact O-N 3.09Å; M471-K475 VanDerWaalsContact O-N 3.12Å
472	I	95.8	Very high	96.7	Very high	30 Å²	30	19.1 Å²	19.1	15%	0.154	10%	0.104	C	C	.	.	H	α-helix	trans	-71.2	-44.2	176.5	-71.7	169.3	0	0	0	110.7	L167 T171 M174 F370 N468 F469 V470 K475 T476	L167-I472 HydrophobicContact CB-CD1 3.65Å; L167-I472 HydrophobicContact CD1-CD1 3.95Å; L167-I472 HydrophobicContact CG-CD1 4.32Å; T171-I472 WeakPolarHBondContact OG1-CG2 3.31Å; M174-I472 HydrophobicContact CE-CG2 4.44Å; M174-I472 HydrophobicContact SD-CG2 3.73Å; F370-I472 HydrophobicContact CD2-CG1 4.21Å; F370-I472 HydrophobicContact CD2-CG2 4.02Å; F370-I472 HydrophobicContact CE2-CG2 3.62Å; F370-I472 HydrophobicContact CZ-CG2 4.29Å; N468-I472 WeakPolarHBondContact O-CB 3.47Å; N468-I472 VanDerWaalsContact O-CG1 3.31Å; N468-I472 WeakPolarHBondContact O-CG1 3.12Å; N468-I472 PolarHBondContact O-N 3.32Å; F469-I472 PolarHBondContact O-N 3.15Å; V470-I472 PolarHBondContact O-N 3.28Å; I472-K475 PolarHBondContact O-N 3.45Å; I472-T476 WeakPolarHBondContact O-CB 3.2Å; I472-T476 PolarHBondContact O-N 2.81Å; I472-T476 PolarHBondContact O-OG1 2.81Å
473	E	96.6	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-53	177.5	-172.7	177	-165.7	0	0	110.5	M174 T211 I214 T330 F469 V470 K475 T476 V477	M174-E473 HydrophobicContact CE-CB 3.83Å; M174-E473 HydrophobicContact CE-CG 4.41Å; M174-E473 HydrophobicContact SD-CB 3.95Å; M174-E473 HydrophobicContact SD-CG 4.45Å; T211-E473 WeakPolarHBondContact CG2-OE1 3.48Å; I214-E473 HydrophobicContact CD1-CG 3.98Å; I214-E473 WeakPolarHBondContact CD1-OE1 3.29Å; I214-E473 HydrophobicContact CG2-CG 4.4Å; I214-E473 WeakPolarHBondContact CG2-OE1 3.42Å; T330-E473 HydrophobicContact CG2-CB 4.38Å; T330-E473 HydrophobicContact CG2-CG 3.99Å; T330-E473 WeakPolarHBondContact CG2-OE2 3.35Å; T330-E473 PolarHBondContact OG1-OE2 2.8Å; T330-E473 VanDerWaalsContact OG1-OE2 3.12Å; F469-E473 WeakPolarHBondContact CE1-OE2 3.38Å; F469-E473 WeakPolarHBondContact O-CB 3.42Å; F469-E473 PolarHBondContact O-N 3.13Å; V470-E473 PolarHBondContact O-N 2.71Å; E473-K475 VanDerWaalsContact C-N 3.33Å; E473-K475 PolarHBondContact O-N 2.78Å; E473-T476 WeakPolarHBondContact O-CB 3.28Å; E473-T476 PolarHBondContact O-N 3.47Å; E473-T476 VanDerWaalsContact O-N 3.16Å; E473-V477 WeakPolarHBondContact O-CG2 3.25Å; E473-V477 PolarHBondContact O-N 3.28Å
474	A	97.9	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-43.4	179.4	0	0	0	0	0	112.2	L333 L334 I380 V470 L478	L333-A474 HydrophobicContact CD2-CB 4.07Å; L334-A474 HydrophobicContact CD2-CB 4.34Å; I380-A474 HydrophobicContact CD1-CB 3.94Å; V470-A474 VanDerWaalsContact O-CB 3.25Å; V470-A474 WeakPolarHBondContact O-CB 3.09Å; V470-A474 PolarHBondContact O-N 3.1Å; A474-L478 VanDerWaalsContact O-CB 3.32Å; A474-L478 WeakPolarHBondContact O-CB 3.45Å; A474-L478 VanDerWaalsContact O-CG 3.26Å; A474-L478 WeakPolarHBondContact O-CG 3.49Å; A474-L478 PolarHBondContact O-N 3.41Å
475	K	97.5	Very high	96.7	Very high	22 Å²	22	17.2 Å²	17.2	10%	0.096	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-42.5	176.3	-76.2	178.5	174.8	-175.1	0	112.1	F370 M376 I380 M471 I472 E473 T479	F370-K475 HydrophobicContact CB-CD 3.99Å; F370-K475 HydrophobicContact CD1-CB 3.63Å; F370-K475 HydrophobicContact CD1-CD 4.23Å; F370-K475 HydrophobicContact CE1-CB 3.95Å; F370-K475 HydrophobicContact CG-CB 4.39Å; F370-K475 HydrophobicContact CG-CD 4.38Å; F370-K475 PolarHBondContact O-NZ 2.88Å; M376-K475 HydrophobicContact CG-CG 3.88Å; I380-K475 HydrophobicContact CD1-CG 3.73Å; M471-K475 VanDerWaalsContact O-CB 3.31Å; M471-K475 WeakPolarHBondContact O-CB 3.32Å; M471-K475 WeakPolarHBondContact O-CG 3.23Å; M471-K475 PolarHBondContact O-N 3.09Å; M471-K475 VanDerWaalsContact O-N 3.12Å; I472-K475 PolarHBondContact O-N 3.45Å; E473-K475 VanDerWaalsContact C-N 3.33Å; E473-K475 PolarHBondContact O-N 2.78Å; K475-T479 WeakPolarHBondContact O-CB 3.36Å; K475-T479 PolarHBondContact O-N 2.71Å; K475-T479 PolarHBondContact O-OG1 3.42Å
476	T	97.3	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.3	-54.6	177.9	-57.2	0	0	0	0	110.3	M174 V175 P365 F370 I472 E473 T479 M480	M174-T476 HydrophobicContact CB-CG2 3.93Å; V175-T476 HydrophobicContact CG2-CG2 3.72Å; P365-T476 HydrophobicContact CG-CG2 4.23Å; F370-T476 WeakPolarHBondContact CZ-OG1 3.3Å; I472-T476 WeakPolarHBondContact O-CB 3.2Å; I472-T476 PolarHBondContact O-N 2.81Å; I472-T476 PolarHBondContact O-OG1 2.81Å; E473-T476 WeakPolarHBondContact O-CB 3.28Å; E473-T476 PolarHBondContact O-N 3.47Å; E473-T476 VanDerWaalsContact O-N 3.16Å; T476-T479 PolarHBondContact O-N 3.27Å; T476-M480 HydrophobicContact CG2-SD 3.75Å; T476-M480 VanDerWaalsContact O-CG 3.29Å; T476-M480 WeakPolarHBondContact O-CG 3.45Å; T476-M480 PolarHBondContact O-N 3.46Å; T476-M480 VanDerWaalsContact O-N 3.08Å
477	V	98.1	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-51.4	-175.4	175.8	0	0	0	0	111.2	F207 L210 I214 L334 E473 T479 M480 I481	F207-V477 HydrophobicContact CD1-CG1 4.39Å; F207-V477 HydrophobicContact CE1-CG1 3.86Å; L210-V477 HydrophobicContact CD2-CB 4.31Å; L210-V477 HydrophobicContact CD2-CG1 3.66Å; L210-V477 HydrophobicContact CD2-CG2 3.61Å; I214-V477 HydrophobicContact CD1-CG2 4.34Å; L334-V477 HydrophobicContact CD1-CB 4.31Å; L334-V477 HydrophobicContact CD1-CG1 4.07Å; L334-V477 HydrophobicContact CD1-CG2 4.32Å; L334-V477 HydrophobicContact CD2-CB 3.98Å; L334-V477 HydrophobicContact CD2-CG1 3.92Å; E473-V477 WeakPolarHBondContact O-CG2 3.25Å; E473-V477 PolarHBondContact O-N 3.28Å; V477-T479 PolarHBondContact O-N 3.39Å; V477-M480 PolarHBondContact O-N 3.41Å; V477-I481 HydrophobicContact CG1-CD1 3.64Å; V477-I481 HydrophobicContact CG1-CG1 4.47Å; V477-I481 VanDerWaalsContact O-CG1 3.3Å; V477-I481 WeakPolarHBondContact O-CG1 3.18Å; V477-I481 PolarHBondContact O-N 3.31Å
478	L	98.4	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-39.4	-178.4	-68.4	169.8	0	0	0	112.1	L334 T337 L341 M376 I380 A474 I481 L482	L334-L478 HydrophobicContact CD2-CD1 4.43Å; L334-L478 HydrophobicContact CD2-CD2 4.24Å; L334-L478 HydrophobicContact CD2-CG 3.95Å; T337-L478 HydrophobicContact CG2-CD1 3.68Å; T337-L478 HydrophobicContact CG2-CD2 4.18Å; L341-L478 HydrophobicContact CD1-CD2 4.48Å; M376-L478 HydrophobicContact CE-CB 3.75Å; M376-L478 HydrophobicContact SD-CB 3.81Å; M376-L478 HydrophobicContact SD-CD1 3.75Å; M376-L478 HydrophobicContact SD-CG 4.45Å; I380-L478 HydrophobicContact CD1-CD1 4.29Å; I380-L478 HydrophobicContact CG1-CD1 4.07Å; A474-L478 VanDerWaalsContact O-CB 3.32Å; A474-L478 WeakPolarHBondContact O-CB 3.45Å; A474-L478 VanDerWaalsContact O-CG 3.26Å; A474-L478 WeakPolarHBondContact O-CG 3.49Å; A474-L478 PolarHBondContact O-N 3.41Å; L478-I481 PolarHBondContact O-N 2.79Å; L478-L482 WeakPolarHBondContact O-CB 3.26Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.85Å
479	T	98	Very high	96.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-50.2	176.7	-62.4	0	0	0	0	110.8	I355 P365 L373 K475 T476 V477 I481 L482 Q483	I355-T479 HydrophobicContact CD1-CG2 4.41Å; I355-T479 HydrophobicContact CG1-CG2 4.1Å; I355-T479 HydrophobicContact CG2-CG2 3.72Å; P365-T479 HydrophobicContact CB-CG2 4.05Å; P365-T479 HydrophobicContact CG-CG2 4.12Å; L373-T479 WeakPolarHBondContact CD1-OG1 3.23Å; K475-T479 WeakPolarHBondContact O-CB 3.36Å; K475-T479 PolarHBondContact O-N 2.71Å; K475-T479 PolarHBondContact O-OG1 3.42Å; T476-T479 PolarHBondContact O-N 3.27Å; V477-T479 PolarHBondContact O-N 3.39Å; T479-I481 PolarHBondContact O-N 2.88Å; T479-L482 PolarHBondContact O-N 3.18Å; T479-Q483 WeakPolarHBondContact O-CG 3.29Å; T479-Q483 PolarHBondContact O-N 2.92Å
480	M	97.8	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.3	-32.3	-175.1	-67.9	173	63.8	0	0	113.1	V175 T178 L179 L182 T364 P365 T476 V477 R484	V175-M480 HydrophobicContact CB-SD 4.33Å; V175-M480 HydrophobicContact CG1-CE 4.11Å; V175-M480 HydrophobicContact CG1-SD 4.26Å; V175-M480 HydrophobicContact CG2-SD 4.06Å; T178-M480 HydrophobicContact CG2-CB 3.89Å; T178-M480 HydrophobicContact CG2-CE 3.78Å; T178-M480 HydrophobicContact CG2-CG 4.48Å; T178-M480 HydrophobicContact CG2-SD 3.8Å; L179-M480 HydrophobicContact CB-CE 4.39Å; L179-M480 HydrophobicContact CD2-CE 3.55Å; L179-M480 HydrophobicContact CG-CE 3.54Å; L182-M480 HydrophobicContact CD1-CB 3.75Å; L182-M480 HydrophobicContact CD1-CE 4.23Å; T364-M480 HydrophobicContact CG2-CE 4.49Å; P365-M480 HydrophobicContact CG-CG 4.06Å; P365-M480 HydrophobicContact CG-SD 4.39Å; T476-M480 HydrophobicContact CG2-SD 3.75Å; T476-M480 VanDerWaalsContact O-CG 3.29Å; T476-M480 WeakPolarHBondContact O-CG 3.45Å; T476-M480 PolarHBondContact O-N 3.46Å; T476-M480 VanDerWaalsContact O-N 3.08Å; V477-M480 PolarHBondContact O-N 3.41Å; M480-R484 PolarHBondContact O-NH1 2.7Å; M480-R484 VanDerWaalsContact O-NH1 3.13Å
481	I	97.7	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.9	-52.3	171.4	-65.9	164.9	0	0	0	109.9	M181 L182 W185 F207 V477 L478 T479 Q483 R484 F485 F487	M181-I481 HydrophobicContact CE-CD1 4.26Å; M181-I481 HydrophobicContact CE-CG1 4.4Å; L182-I481 HydrophobicContact CD2-CG1 3.92Å; W185-I481 HydrophobicContact CH2-CD1 4.17Å; W185-I481 HydrophobicContact CH2-CG1 4.42Å; W185-I481 HydrophobicContact CZ3-CD1 4.32Å; W185-I481 HydrophobicContact CZ3-CG1 4.12Å; W185-I481 HydrophobicContact CZ3-CG2 4.27Å; F207-I481 HydrophobicContact CE1-CD1 3.77Å; F207-I481 HydrophobicContact CZ-CD1 4.03Å; V477-I481 HydrophobicContact CG1-CD1 3.64Å; V477-I481 HydrophobicContact CG1-CG1 4.47Å; V477-I481 VanDerWaalsContact O-CG1 3.3Å; V477-I481 WeakPolarHBondContact O-CG1 3.18Å; V477-I481 PolarHBondContact O-N 3.31Å; L478-I481 PolarHBondContact O-N 2.79Å; T479-I481 PolarHBondContact O-N 2.88Å; I481-Q483 PolarHBondContact O-N 3.34Å; I481-R484 PolarHBondContact O-N 3.48Å; I481-F485 HydrophobicContact CG2-CB 4.23Å; I481-F485 PolarHBondContact O-N 3.43Å; I481-F487 HydrophobicContact CB-CZ 4.4Å; I481-F487 HydrophobicContact CG2-CE1 3.6Å; I481-F487 HydrophobicContact CG2-CE2 4.39Å; I481-F487 HydrophobicContact CG2-CZ 3.43Å; I481-F487 VanDerWaalsContact CG2-CZ 3.43Å
482	L	97.5	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-19.6	-175.5	-68.2	178.3	0	0	0	113.9	L341 Q348 L351 R352 I355 M376 L478 T479 R484 F487 L517	L341-L482 HydrophobicContact CD1-CD1 4.33Å; Q348-L482 HydrophobicContact CG-CD2 3.58Å; L351-L482 HydrophobicContact CB-CD1 3.81Å; L351-L482 HydrophobicContact CD1-CD1 3.89Å; R352-L482 PolarHBondContact NE-O 3.26Å; I355-L482 HydrophobicContact CD1-CB 3.67Å; I355-L482 HydrophobicContact CD1-CD1 3.86Å; I355-L482 HydrophobicContact CD1-CG 4.4Å; M376-L482 HydrophobicContact CE-CD1 4.05Å; L478-L482 WeakPolarHBondContact O-CB 3.26Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.85Å; T479-L482 PolarHBondContact O-N 3.18Å; L482-R484 VanDerWaalsContact C-N 3.28Å; L482-F487 HydrophobicContact CD2-CD2 4.16Å; L482-F487 HydrophobicContact CD2-CE2 3.87Å; L482-L517 WeakPolarHBondContact O-CD1 3.5Å
483	Q	96.3	Very high	97	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.047	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.2	168.2	-83.2	177.7	-34.4	0	0	113.9	I355 F356 G360 K361 K363 T479 I481	I355-Q483 HydrophobicContact CG2-CG 3.55Å; F356-Q483 HydrophobicContact CE1-CG 4.47Å; G360-Q483 PolarHBondContact O-NE2 3.14Å; K361-Q483 WeakPolarHBondContact O-CB 3.18Å; K361-Q483 WeakPolarHBondContact O-CG 3.48Å; K361-Q483 PolarHBondContact O-NE2 3.18Å; K363-Q483 PolarHBondContact O-NE2 2.85Å; T479-Q483 WeakPolarHBondContact O-CG 3.29Å; T479-Q483 PolarHBondContact O-N 2.92Å; I481-Q483 PolarHBondContact O-N 3.34Å
484	R	95.4	Very high	97	Very high	65 Å²	65	28 Å²	28	25%	0.245	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-21.9	-166.2	-70.1	169.5	-176.5	70.5	9.3	113.8	E362 M480 I481 L482 P516 L517	E362-R484 PolarHBondContact O-NH2 2.83Å; M480-R484 PolarHBondContact O-NH1 2.7Å; M480-R484 VanDerWaalsContact O-NH1 3.13Å; I481-R484 PolarHBondContact O-N 3.48Å; L482-R484 VanDerWaalsContact C-N 3.28Å; R484-P516 CarbonylContact O-C 3.38Å; R484-P516 WeakPolarHBondContact O-CA 3.42Å; R484-L517 PolarHBondContact O-N 3.4Å
485	F	96.4	Very high	96.9	Very high	6 Å²	6	33 Å²	33	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.5	-175.2	-66.2	-89.8	0	0	0	111.2	L182 W185 I199 R352 I481 L514 Q515 P516	L182-F485 HydrophobicContact CD2-CD2 3.95Å; L182-F485 HydrophobicContact CD2-CE2 3.82Å; W185-F485 HydrophobicContact CB-CE1 4.36Å; W185-F485 HydrophobicContact CB-CE2 4.28Å; W185-F485 HydrophobicContact CB-CZ 3.75Å; W185-F485 HydrophobicContact CE3-CD2 4.26Å; W185-F485 HydrophobicContact CE3-CE2 4.19Å; W185-F485 HydrophobicContact CE3-CZ 4.46Å; I199-F485 HydrophobicContact CD1-CD1 4.4Å; I199-F485 HydrophobicContact CD1-CE1 3.74Å; I199-F485 HydrophobicContact CD1-CZ 4.45Å; R352-F485 PolarHBondContact NH2-O 3.46Å; I481-F485 HydrophobicContact CG2-CB 4.23Å; I481-F485 PolarHBondContact O-N 3.43Å; F485-L514 HydrophobicContact CB-CD2 4.35Å; F485-L514 HydrophobicContact CD1-CB 4.29Å; F485-Q515 CarbonylContact C-O 3.48Å; F485-Q515 VanDerWaalsContact CA-O 3.28Å; F485-Q515 WeakPolarHBondContact CA-O 3.48Å; F485-P516 HydrophobicContact CD1-CB 4.37Å; F485-P516 HydrophobicContact CD1-CG 4.27Å; F485-P516 HydrophobicContact CE1-CB 4.17Å; F485-P516 HydrophobicContact CE1-CG 3.87Å
486	R	97.1	Very high	96.8	Very high	67 Å²	67	32 Å²	32	25%	0.253	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.1	166.7	174.5	-176.5	-70.6	-83	-7.9	108.6	Q348 E349 I488 L514 Q515 L517	Q348-R486 VanDerWaalsContact OE1-CA 3.22Å; E349-R486 VanDerWaalsContact CD-NH2 3.29Å; E349-R486 IonicContact OE1-CZ 2.75Å; E349-R486 IonicContact OE1-NH1 3.39Å; E349-R486 PolarHBondContact OE1-NH1 2.82Å; E349-R486 IonicContact OE1-NH2 3.31Å; E349-R486 PolarHBondContact OE1-NH2 2.78Å; E349-R486 IonicContact OE2-CZ 3.16Å; E349-R486 IonicContact OE2-NH2 3.46Å; E349-R486 PolarHBondContact OE2-NH2 2.79Å; R486-I488 PolarHBondContact O-N 3.4Å; R486-L514 CarbonylContact O-C 3.57Å; R486-L514 WeakPolarHBondContact O-CA 3.37Å; R486-Q515 HydrophobicContact CB-CB 4.46Å; R486-Q515 PolarHBondContact N-O 3.27Å; R486-Q515 PolarHBondContact O-N 2.94Å; R486-L517 HydrophobicContact CB-CD2 4.2Å
487	F	97.9	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.4	165.1	-50.6	-56.5	0	0	0	107.7	M203 T338 L341 S342 Q345 Q348 I481 L482 V512 L514	M203-F487 HydrophobicContact CE-CE1 4.11Å; T338-F487 HydrophobicContact CG2-CD1 3.86Å; T338-F487 HydrophobicContact CG2-CD2 4.21Å; T338-F487 HydrophobicContact CG2-CE1 3.72Å; T338-F487 HydrophobicContact CG2-CE2 4.07Å; T338-F487 HydrophobicContact CG2-CG 4.1Å; T338-F487 HydrophobicContact CG2-CZ 3.82Å; L341-F487 HydrophobicContact CB-CD2 3.98Å; L341-F487 HydrophobicContact CB-CE2 4.36Å; L341-F487 HydrophobicContact CD1-CE2 4.21Å; S342-F487 WeakPolarHBondContact OG-CB 2.77Å; Q345-F487 PolarHBondContact NE2-O 2.89Å; Q345-F487 PolarHBondContact OE1-O 3.42Å; Q345-F487 VanDerWaalsContact OE1-O 3.11Å; Q348-F487 PolarHBondContact NE2-O 3.43Å; I481-F487 HydrophobicContact CB-CZ 4.4Å; I481-F487 HydrophobicContact CG2-CE1 3.6Å; I481-F487 HydrophobicContact CG2-CE2 4.39Å; I481-F487 HydrophobicContact CG2-CZ 3.43Å; I481-F487 VanDerWaalsContact CG2-CZ 3.43Å; L482-F487 HydrophobicContact CD2-CD2 4.16Å; L482-F487 HydrophobicContact CD2-CE2 3.87Å; F487-V512 HydrophobicContact CB-CG1 4.18Å; F487-V512 HydrophobicContact CD1-CG1 4.27Å; F487-L514 HydrophobicContact CD1-CD2 3.77Å; F487-L514 HydrophobicContact CD1-CG 4.03Å; F487-L514 HydrophobicContact CE1-CD2 3.78Å
488	I	96	Very high	96.7	Very high	47 Å²	47	32.1 Å²	32.1	24%	0.241	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-54.4	-173.4	-53.4	172.4	0	0	0	110.2	K198 Q345 R486 M513 Q515	K198-I488 HydrophobicContact CB-CD1 4.44Å; K198-I488 HydrophobicContact CD-CD1 3.81Å; K198-I488 HydrophobicContact CG-CD1 3.77Å; Q345-I488 PolarHBondContact NE2-O 3.42Å; R486-I488 PolarHBondContact O-N 3.4Å; I488-M513 HydrophobicContact CB-CB 4.23Å; I488-M513 HydrophobicContact CD1-CB 4.36Å; I488-M513 PolarHBondContact N-O 3.33Å; I488-Q515 HydrophobicContact CD1-CB 3.66Å; I488-Q515 HydrophobicContact CG1-CB 3.9Å
489	S	96.6	Very high	96.6	Very high	50 Å²	50	32.3 Å²	32.3	35%	0.35	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	160.7	-174.8	65.8	0	0	0	0	110.6	V512 M513	S489-V512 WeakPolarHBondContact O-CG1 3.31Å; S489-M513 PolarHBondContact O-N 2.79Å
490	L	97.3	Very high	96.5	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.4	160.5	-51.6	-178.7	0	0	0	108.3	P72 M339 L343 Y494 L510 V512	P72-L490 HydrophobicContact CB-CD1 4.14Å; M339-L490 HydrophobicContact CG-CD1 4.12Å; M339-L490 HydrophobicContact CG-CD2 4.07Å; L343-L490 HydrophobicContact CD1-CD1 4.2Å; L343-L490 HydrophobicContact CD2-CD1 3.75Å; L343-L490 HydrophobicContact CD2-CG 4.23Å; L343-L490 HydrophobicContact CG-CD1 4Å; L343-L490 HydrophobicContact CG-CG 4.48Å; L490-Y494 HydrophobicContact CB-CD1 4.17Å; L490-Y494 HydrophobicContact CB-CG 4.37Å; L490-Y494 HydrophobicContact CD1-CD1 3.52Å; L490-Y494 HydrophobicContact CD1-CE1 3.62Å; L490-Y494 HydrophobicContact CD1-CG 4.4Å; L490-Y494 HydrophobicContact CG-CD1 4.36Å; L490-L510 HydrophobicContact CD2-CD1 3.88Å; L490-V512 HydrophobicContact CD2-CG2 4.02Å
491	C	96.9	Very high	96.2	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.068	17%	0.173	C	C	.	.			trans	-72.5	154.2	175.3	-56.6	0	0	0	0	111.1	E493 Y494 P511 V512	C491-E493 HydrophobicContact CB-CG 4.36Å; C491-E493 WeakPolarHBondContact CB-OE2 3.39Å; C491-E493 PolarHBondContact O-N 3Å; C491-E493 VanDerWaalsContact O-N 3.16Å; C491-Y494 WeakPolarHBondContact O-CB 3.28Å; C491-Y494 PolarHBondContact O-N 2.88Å; C491-P511 HydrophobicContact CB-CB 3.94Å; C491-P511 HydrophobicContact CB-CG 4.2Å; C491-P511 PolarHBondContact N-O 3.1Å; C491-P511 VanDerWaalsContact SG-C 3.53Å; C491-V512 VanDerWaalsContact SG-C 3.57Å
492	D	94.9	Very high	96	Very high	168 Å²	168	36.9 Å²	36.9	90%	0.898	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.5	-175.6	-67.1	-19.4	0	0	0	113.5	Y494	D492-Y494 PolarHBondContact O-N 3.34Å
493	E	95.1	Very high	96	Very high	98 Å²	98	37.1 Å²	37.1	46%	0.458	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.9	176.2	65.2	-96.4	-129.2	0	0	114.2	K200 C491 K495 P511	K200-E493 WeakPolarHBondContact CE-OE1 3.41Å; K200-E493 IonicContact NZ-OE1 3.72Å; K200-E493 PolarHBondContact NZ-OE1 3.27Å; C491-E493 HydrophobicContact CB-CG 4.36Å; C491-E493 WeakPolarHBondContact CB-OE2 3.39Å; C491-E493 PolarHBondContact O-N 3Å; C491-E493 VanDerWaalsContact O-N 3.16Å; E493-K495 PolarHBondContact O-N 3.5Å; E493-P511 HydrophobicContact CG-CG 3.95Å
494	Y	96.9	Very high	96	Very high	23 Å²	23	36.6 Å²	36.6	9%	0.09	18%	0.181	C	C	.	.			trans	-62.2	128.8	179	178.2	-114	0	0	0	110.9	P72 M339 L490 C491 D492 H496 G509 L510	P72-Y494 HydrophobicContact CB-CE1 4.38Å; P72-Y494 HydrophobicContact CG-CD1 4.36Å; P72-Y494 HydrophobicContact CG-CE1 4.32Å; M339-Y494 HydrophobicContact SD-CE1 4.43Å; M339-Y494 PolarHBondContact SD-OH 2.93Å; L490-Y494 HydrophobicContact CB-CD1 4.17Å; L490-Y494 HydrophobicContact CB-CG 4.37Å; L490-Y494 HydrophobicContact CD1-CD1 3.52Å; L490-Y494 HydrophobicContact CD1-CE1 3.62Å; L490-Y494 HydrophobicContact CD1-CG 4.4Å; L490-Y494 HydrophobicContact CG-CD1 4.36Å; C491-Y494 WeakPolarHBondContact O-CB 3.28Å; C491-Y494 PolarHBondContact O-N 2.88Å; D492-Y494 PolarHBondContact O-N 3.34Å; Y494-H496 HydrophobicContact CE1-CB 3.73Å; Y494-H496 AromaticContact CE1-ND1 3.9Å; Y494-H496 AromaticContact CZ-ND1 3.73Å; Y494-H496 PolarHBondContact OH-ND1 2.92Å; Y494-G509 WeakPolarHBondContact CE2-O 3.26Å; Y494-L510 HydrophobicContact CD2-CD1 4.02Å; Y494-L510 HydrophobicContact CE2-CB 4.45Å; Y494-L510 HydrophobicContact CE2-CD1 3.5Å
495	K	95.5	Very high	96.1	Very high	107 Å²	107	34.7 Å²	34.7	47%	0.465	18%	0.175	S	C	.	.			trans	-115.4	112.4	174.3	-65.3	176.8	-175.5	177.7	0	108.2	I69 E493 T497 Y508	I69-K495 HydrophobicContact CD1-CD 4.12Å; I69-K495 HydrophobicContact CD1-CG 4.31Å; I69-K495 HydrophobicContact CG2-CB 4.36Å; E493-K495 PolarHBondContact O-N 3.5Å; K495-T497 VanDerWaalsContact C-N 3.27Å; K495-T497 HydrophobicContact CB-CG2 4.45Å; K495-T497 PolarHBondContact O-N 3.36Å; K495-T497 PolarHBondContact O-OG1 2.89Å; K495-Y508 HydrophobicContact CB-CD2 4.08Å; K495-Y508 HydrophobicContact CD-CD2 4.27Å
496	H	96.6	Very high	96.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-71.8	85.5	177.4	-166.4	58.9	0	0	0	110.4	L70 P72 W336 M339 Y387 Y494	L70-H496 HydrophobicContact CB-CB 4.48Å; L70-H496 WeakPolarHBondContact CB-O 3.46Å; L70-H496 PolarHBondContact N-O 2.96Å; P72-H496 HydrophobicContact CB-CB 4.29Å; P72-H496 HydrophobicContact CG-CB 4Å; W336-H496 AromaticContact CZ3-CE1 3.82Å; M339-H496 PolarHBondContact SD-CE1 3.48Å; Y387-H496 AromaticContact CE1-CE1 3.59Å; Y387-H496 AromaticContact CE1-NE2 3.79Å; Y387-H496 AromaticContact CZ-CE1 3.76Å; Y387-H496 AromaticContact CZ-NE2 3.8Å; Y387-H496 PolarHBondContact OH-CE1 3.12Å; Y387-H496 VanDerWaalsContact OH-CE1 3.24Å; Y387-H496 PolarHBondContact OH-NE2 2.86Å; Y494-H496 HydrophobicContact CE1-CB 3.73Å; Y494-H496 AromaticContact CE1-ND1 3.9Å; Y494-H496 AromaticContact CZ-ND1 3.73Å; Y494-H496 PolarHBondContact OH-ND1 2.92Å
497	T	96	Very high	95.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.176	C	C	.	.			trans	-129.3	75	179.8	50.2	0	0	0	0	110.7	I69 K495 V499 Q507 Y508	I69-T497 HydrophobicContact CB-CG2 4.28Å; I69-T497 HydrophobicContact CG1-CG2 3.94Å; I69-T497 HydrophobicContact CG2-CG2 4.31Å; K495-T497 VanDerWaalsContact C-N 3.27Å; K495-T497 HydrophobicContact CB-CG2 4.45Å; K495-T497 PolarHBondContact O-N 3.36Å; K495-T497 PolarHBondContact O-OG1 2.89Å; T497-V499 PolarHBondContact O-N 3.42Å; T497-Q507 WeakPolarHBondContact O-CB 3.26Å; T497-Q507 PolarHBondContact O-N 3.28Å; T497-Y508 HydrophobicContact CG2-CD2 4.46Å; T497-Y508 HydrophobicContact CG2-CE2 4.22Å; T497-Y508 WeakPolarHBondContact OG1-CD2 3.25Å; T497-Y508 WeakPolarHBondContact OG1-CE2 3.45Å
498	P	97.2	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	140.6	170.2	-23.4	33.3	0	0	0	111.2	I77 R80 I81 W336 Y387 I504	I77-P498 HydrophobicContact CB-CB 4.48Å; I77-P498 HydrophobicContact CB-CG 4.35Å; I77-P498 HydrophobicContact CD1-CB 4.44Å; I77-P498 HydrophobicContact CG2-CB 4.33Å; I77-P498 HydrophobicContact CG2-CG 3.72Å; R80-P498 WeakPolarHBondContact CD-O 3.22Å; R80-P498 PolarHBondContact NE-O 2.94Å; I81-P498 HydrophobicContact CD1-CB 4.07Å; I81-P498 WeakPolarHBondContact CD1-O 3.33Å; W336-P498 HydrophobicContact CH2-CB 3.9Å; W336-P498 HydrophobicContact CH2-CG 3.74Å; W336-P498 HydrophobicContact CZ2-CB 4.11Å; W336-P498 HydrophobicContact CZ2-CG 4.4Å; W336-P498 HydrophobicContact CZ3-CG 4.38Å; Y387-P498 HydrophobicContact CE1-CG 4.14Å; P498-I504 HydrophobicContact CB-CG2 4.36Å
499	V	95.6	Very high	95.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.3	175.7	65.7	0	0	0	0	110.4	T497 I504 Q505 Q507	T497-V499 PolarHBondContact O-N 3.42Å; V499-I504 WeakPolarHBondContact O-CA 3.47Å; V499-Q505 HydrophobicContact CG1-CG 3.8Å; V499-Q505 PolarHBondContact N-O 3.26Å; V499-Q505 PolarHBondContact O-N 3.49Å; V499-Q507 HydrophobicContact CB-CB 4.1Å; V499-Q507 HydrophobicContact CB-CG 4.48Å; V499-Q507 HydrophobicContact CG1-CB 3.72Å; V499-Q507 HydrophobicContact CG1-CG 4.19Å
500	D	94.9	Very high	95.9	Very high	22 Å²	22	37 Å²	37	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	95.6	173.7	175.9	9.1	0	0	0	110	I81 S391 V502	I81-D500 HydrophobicContact CD1-CB 4.32Å; I81-D500 HydrophobicContact CG2-CB 3.53Å; S391-D500 WeakPolarHBondContact CB-OD2 3.5Å; S391-D500 PolarHBondContact OG-OD2 3.46Å; D500-V502 PolarHBondContact OD1-N 3.44Å
501	N	92.6	Very high	95.9	Very high	41 Å²	41	36.6 Å²	36.6	22%	0.219	18%	0.179	C	C	.	.	S	Bend	trans	-109.2	60	175	-70.3	-25	0	0	0	109.2	K238 T242 T503 Q505	K238-N501 WeakPolarHBondContact CE-O 3.37Å; T242-N501 HydrophobicContact CG2-CB 4.07Å; T242-N501 VanDerWaalsContact CG2-OD1 3.31Å; T242-N501 WeakPolarHBondContact CG2-OD1 3.29Å; N501-T503 PolarHBondContact N-O 3.03Å; N501-T503 PolarHBondContact O-N 3.27Å; N501-T503 VanDerWaalsContact O-N 3.13Å; N501-Q505 PolarHBondContact ND2-NE2 2.98Å
502	V	93.4	Very high	96	Very high	34 Å²	34	36.1 Å²	36.1	21%	0.206	18%	0.176	C	C	.	.	S	Bend	trans	79.1	-39.3	-166.3	-172.1	0	0	0	0	112.2	K238 Y241 F324 D500	K238-V502 HydrophobicContact CG-CB 4.34Å; K238-V502 HydrophobicContact CG-CG2 4Å; Y241-V502 HydrophobicContact CD1-CB 4.49Å; Y241-V502 HydrophobicContact CD1-CG1 4.27Å; Y241-V502 HydrophobicContact CD1-CG2 3.37Å; Y241-V502 HydrophobicContact CE1-CG1 4.02Å; Y241-V502 HydrophobicContact CE1-CG2 3.72Å; Y241-V502 HydrophobicContact CG-CG2 4.2Å; F324-V502 HydrophobicContact CE1-CG1 4.25Å; F324-V502 HydrophobicContact CZ-CG1 3.93Å; D500-V502 PolarHBondContact OD1-N 3.44Å
503	T	96.5	Very high	96.1	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.025	14%	0.144	C	C	.	.	S	Bend	trans	-126.8	151.6	170.2	46.2	0	0	0	0	110.5	E328 T329 N332 P389 N501 Q505	E328-T503 HydrophobicContact CG-CG2 3.8Å; E328-T503 VanDerWaalsContact CG-OG1 3.32Å; E328-T503 WeakPolarHBondContact CG-OG1 3.35Å; E328-T503 PolarHBondContact OE1-OG1 3.28Å; T329-T503 HydrophobicContact CG2-CG2 4.45Å; N332-T503 PolarHBondContact ND2-OG1 3Å; P389-T503 HydrophobicContact CB-CG2 4.22Å; P389-T503 CarbonylContact O-C 3.5Å; P389-T503 WeakPolarHBondContact O-CA 3.43Å; N501-T503 PolarHBondContact N-O 3.03Å; N501-T503 PolarHBondContact O-N 3.27Å; N501-T503 VanDerWaalsContact O-N 3.13Å; T503-Q505 PolarHBondContact O-N 3.43Å
504	I	97.5	Very high	96.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	116.7	174.5	-58.2	-175.5	0	0	0	109.3	I77 W336 G388 P389 L419 P498 V499	I77-I504 HydrophobicContact CD1-CD1 4.17Å; I77-I504 HydrophobicContact CD1-CG2 3.99Å; W336-I504 HydrophobicContact CZ2-CG2 4.06Å; W336-I504 PolarHBondContact NE1-O 2.91Å; W336-I504 VanDerWaalsContact NE1-O 3.09Å; G388-I504 WeakPolarHBondContact O-CD1 3.2Å; P389-I504 PolarHBondContact O-N 2.86Å; L419-I504 HydrophobicContact CD1-CD1 3.72Å; L419-I504 HydrophobicContact CD2-CD1 3.63Å; L419-I504 HydrophobicContact CG-CD1 3.95Å; P498-I504 HydrophobicContact CB-CG2 4.36Å; V499-I504 WeakPolarHBondContact O-CA 3.47Å
505	Q	96.3	Very high	96.1	Very high	24 Å²	24	26.6 Å²	26.6	11%	0.112	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.7	-175.7	63.6	175.9	39.4	0	0	111.4	N332 V499 N501 T503 Q507	N332-Q505 WeakPolarHBondContact OD1-CA 3.4Å; N332-Q505 WeakPolarHBondContact OD1-CB 3.5Å; V499-Q505 HydrophobicContact CG1-CG 3.8Å; V499-Q505 PolarHBondContact N-O 3.26Å; V499-Q505 PolarHBondContact O-N 3.49Å; N501-Q505 PolarHBondContact ND2-NE2 2.98Å; T503-Q505 PolarHBondContact O-N 3.43Å; Q505-Q507 PolarHBondContact O-N 2.94Å
506	P	96.4	Very high	96	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.032	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	123.1	167	-19.9	29.4	0	0	0	110.7	N204 W336 Y508 G509 L510	N204-P506 WeakPolarHBondContact ND2-CD 3.28Å; W336-P506 HydrophobicContact CE3-CG 4.47Å; W336-P506 HydrophobicContact CH2-CB 4.18Å; W336-P506 HydrophobicContact CH2-CG 3.77Å; W336-P506 VanDerWaalsContact CZ2-CD 3.48Å; W336-P506 HydrophobicContact CZ2-CG 3.91Å; W336-P506 VanDerWaalsContact CZ2-N 3.34Å; W336-P506 HydrophobicContact CZ3-CG 4.07Å; P506-Y508 PolarHBondContact O-N 3.49Å; P506-G509 VanDerWaalsContact CB-O 3.27Å; P506-G509 WeakPolarHBondContact CB-O 3.28Å; P506-L510 HydrophobicContact CG-CB 4.32Å
507	Q	94.5	Very high	95.7	Very high	59 Å²	59	25 Å²	25	28%	0.276	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.1	-176.8	-179.9	179.5	1.8	0	0	113.3	T497 V499 Q505	T497-Q507 WeakPolarHBondContact O-CB 3.26Å; T497-Q507 PolarHBondContact O-N 3.28Å; V499-Q507 HydrophobicContact CB-CB 4.1Å; V499-Q507 HydrophobicContact CB-CG 4.48Å; V499-Q507 HydrophobicContact CG1-CB 3.72Å; V499-Q507 HydrophobicContact CG1-CG 4.19Å; Q505-Q507 PolarHBondContact O-N 2.94Å
508	Y	95	Very high	94.7	Very high	145 Å²	145	31.3 Å²	31.3	57%	0.569	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.1	18.5	-176.7	-58.3	-62.6	0	0	0	113	K495 T497 P506	K495-Y508 HydrophobicContact CB-CD2 4.08Å; K495-Y508 HydrophobicContact CD-CD2 4.27Å; T497-Y508 HydrophobicContact CG2-CD2 4.46Å; T497-Y508 HydrophobicContact CG2-CE2 4.22Å; T497-Y508 WeakPolarHBondContact OG1-CD2 3.25Å; T497-Y508 WeakPolarHBondContact OG1-CE2 3.45Å; P506-Y508 PolarHBondContact O-N 3.49Å
509	G	96.4	Very high	93	Very high	11 Å²	11	39.9 Å²	39.9	11%	0.113	20%	0.2	C	C	.	.			trans	86.7	-177.8	-173.4	0	0	0	0	0	114	E202 Y494 P506	E202-G509 VanDerWaalsContact OE1-C 3.23Å; E202-G509 WeakPolarHBondContact OE1-CA 3.39Å; Y494-G509 WeakPolarHBondContact CE2-O 3.26Å; P506-G509 VanDerWaalsContact CB-O 3.27Å; P506-G509 WeakPolarHBondContact CB-O 3.28Å
510	L	98	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.			trans	-136.4	77.1	177.1	-178.8	65.1	0	0	0	109.9	E202 M203 N204 A335 M339 L490 Y494 P506 V512	E202-L510 PolarHBondContact OE1-N 3.32Å; M203-L510 HydrophobicContact CB-CB 4.42Å; M203-L510 HydrophobicContact CB-CD2 4.06Å; M203-L510 HydrophobicContact CB-CG 4.23Å; M203-L510 WeakPolarHBondContact CB-O 3.29Å; M203-L510 PolarHBondContact N-O 2.95Å; N204-L510 HydrophobicContact CB-CB 4.48Å; A335-L510 HydrophobicContact CB-CD2 4.06Å; A335-L510 WeakPolarHBondContact O-CD2 3.41Å; M339-L510 HydrophobicContact CB-CD1 3.8Å; M339-L510 HydrophobicContact CB-CD2 3.91Å; M339-L510 HydrophobicContact CG-CD1 3.85Å; L490-L510 HydrophobicContact CD2-CD1 3.88Å; Y494-L510 HydrophobicContact CD2-CD1 4.02Å; Y494-L510 HydrophobicContact CE2-CB 4.45Å; Y494-L510 HydrophobicContact CE2-CD1 3.5Å; P506-L510 HydrophobicContact CG-CB 4.32Å; L510-V512 HydrophobicContact CD1-CG2 4.24Å; L510-V512 HydrophobicContact CG-CG2 3.91Å; L510-V512 PolarHBondContact O-N 3.41Å
511	P	98.1	Very high	92.8	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.078	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.2	168.9	28.4	-36	0	0	0	111.2	K201 C491 E493	K201-P511 CarbonylContact O-C 3.53Å; K201-P511 WeakPolarHBondContact O-CA 3.47Å; C491-P511 HydrophobicContact CB-CB 3.94Å; C491-P511 HydrophobicContact CB-CG 4.2Å; C491-P511 PolarHBondContact N-O 3.1Å; C491-P511 VanDerWaalsContact SG-C 3.53Å; E493-P511 HydrophobicContact CG-CG 3.95Å
512	V	98.3	Very high	92.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.9	-179.2	179.2	0	0	0	0	109.5	K200 K201 M203 T338 F487 S489 L490 C491 L510 L514	K200-V512 WeakPolarHBondContact CA-O 3.36Å; K201-V512 PolarHBondContact N-O 2.93Å; K201-V512 PolarHBondContact O-N 3.48Å; M203-V512 HydrophobicContact CB-CG2 4.47Å; M203-V512 HydrophobicContact CG-CB 3.71Å; M203-V512 HydrophobicContact CG-CG2 3.56Å; M203-V512 HydrophobicContact SD-CB 4.49Å; T338-V512 HydrophobicContact CG2-CG2 4.22Å; F487-V512 HydrophobicContact CB-CG1 4.18Å; F487-V512 HydrophobicContact CD1-CG1 4.27Å; S489-V512 WeakPolarHBondContact O-CG1 3.31Å; L490-V512 HydrophobicContact CD2-CG2 4.02Å; C491-V512 VanDerWaalsContact SG-C 3.57Å; L510-V512 HydrophobicContact CD1-CG2 4.24Å; L510-V512 HydrophobicContact CG-CG2 3.91Å; L510-V512 PolarHBondContact O-N 3.41Å; V512-L514 HydrophobicContact CB-CD1 4.37Å; V512-L514 HydrophobicContact CG1-CD1 4.33Å; V512-L514 HydrophobicContact CG1-CG 4.49Å; V512-L514 VanDerWaalsContact O-CD1 3.29Å; V512-L514 WeakPolarHBondContact O-CD1 3.34Å
513	M	97.4	Very high	92.8	Very high	46 Å²	46	43.4 Å²	43.4	23%	0.227	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.2	169.1	-67.4	-54.8	-57.8	0	0	110	K198 K200 I488 S489	K198-M513 HydrophobicContact CB-CE 3.76Å; K200-M513 HydrophobicContact CB-CE 4.44Å; K200-M513 HydrophobicContact CB-SD 3.72Å; K200-M513 HydrophobicContact CG-SD 4.24Å; I488-M513 HydrophobicContact CB-CB 4.23Å; I488-M513 HydrophobicContact CD1-CB 4.36Å; I488-M513 PolarHBondContact N-O 3.33Å; S489-M513 PolarHBondContact O-N 2.79Å
514	L	96.7	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.2	179.7	-57.4	88	0	0	0	110.4	W185 K198 I199 K201 M203 F485 R486 F487 V512	W185-L514 HydrophobicContact CE3-CD2 4.13Å; W185-L514 HydrophobicContact CZ3-CD2 3.8Å; K198-L514 CarbonylContact C-O 3.56Å; K198-L514 VanDerWaalsContact CA-O 3.28Å; K198-L514 WeakPolarHBondContact CA-O 3.34Å; I199-L514 HydrophobicContact CG1-CB 3.95Å; I199-L514 PolarHBondContact N-O 3.4Å; I199-L514 PolarHBondContact O-N 3.21Å; K201-L514 HydrophobicContact CB-CD1 3.56Å; K201-L514 HydrophobicContact CG-CD1 3.71Å; M203-L514 HydrophobicContact SD-CD1 4.13Å; M203-L514 HydrophobicContact SD-CD2 4.32Å; F485-L514 HydrophobicContact CB-CD2 4.35Å; F485-L514 HydrophobicContact CD1-CB 4.29Å; R486-L514 CarbonylContact O-C 3.57Å; R486-L514 WeakPolarHBondContact O-CA 3.37Å; F487-L514 HydrophobicContact CD1-CD2 3.77Å; F487-L514 HydrophobicContact CD1-CG 4.03Å; F487-L514 HydrophobicContact CE1-CD2 3.78Å; V512-L514 HydrophobicContact CB-CD1 4.37Å; V512-L514 HydrophobicContact CG1-CD1 4.33Å; V512-L514 HydrophobicContact CG1-CG 4.49Å; V512-L514 VanDerWaalsContact O-CD1 3.29Å; V512-L514 WeakPolarHBondContact O-CD1 3.34Å
515	Q	94.3	Very high	92.2	Very high	43 Å²	43	48.9 Å²	48.9	20%	0.201	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	172.4	-178.1	179.3	9.2	0	0	108.7	F485 R486 I488	F485-Q515 CarbonylContact C-O 3.48Å; F485-Q515 VanDerWaalsContact CA-O 3.28Å; F485-Q515 WeakPolarHBondContact CA-O 3.48Å; R486-Q515 HydrophobicContact CB-CB 4.46Å; R486-Q515 PolarHBondContact N-O 3.27Å; R486-Q515 PolarHBondContact O-N 2.94Å; I488-Q515 HydrophobicContact CD1-CB 3.66Å; I488-Q515 HydrophobicContact CG1-CB 3.9Å
516	P	93.7	Very high	91.9	Very high	28 Å²	28	50.7 Å²	50.7	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	141.7	167.7	-18.3	31.2	0	0	0	110.5	P197 R484 F485	P197-P516 HydrophobicContact CG-CG 4.04Å; P197-P516 WeakPolarHBondContact O-CD 3.4Å; R484-P516 CarbonylContact O-C 3.38Å; R484-P516 WeakPolarHBondContact O-CA 3.42Å; F485-P516 HydrophobicContact CD1-CB 4.37Å; F485-P516 HydrophobicContact CD1-CG 4.27Å; F485-P516 HydrophobicContact CE1-CB 4.17Å; F485-P516 HydrophobicContact CE1-CG 3.87Å
517	L	90.9	Very high	91.6	Very high	45 Å²	45	54.2 Å²	54.2	24%	0.236	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-76.9	137	170.9	-63.5	175.9	0	0	0	109	F356 L482 R484 R486	F356-L517 HydrophobicContact CZ-CD1 4.35Å; L482-L517 WeakPolarHBondContact O-CD1 3.5Å; R484-L517 PolarHBondContact O-N 3.4Å; R486-L517 HydrophobicContact CB-CD2 4.2Å
518	E	75.9	Confident	91.3	Very high	136 Å²	136	53.8 Å²	53.8	64%	0.636	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-67.9	139.6	169	-67.8	168.7	-161	0	0	109.1	H196	H196-E518 IonicContact CE1-OE1 3.03Å; H196-E518 PolarHBondContact CE1-OE1 3.19Å; H196-E518 IonicContact ND1-OE1 2.9Å; H196-E518 PolarHBondContact ND1-OE1 3.49Å
519	D	61	Low	91	Very high	180 Å²	180	45.5 Å²	45.5	96%	0.963	24%	0.239	S	C	*	.			trans	-57.7	0	-173.2	-71	-35.8	0	0	0	113.3	K361	K361-D519 PolarHBondContact NZ-OXT 2.85Å

Retrieved 519 of 519 residues in 2461.3 ms (Link to these results)

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