A0A077ZMB1_TRITR Loading...

DUF1759 and DUF1758 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 653 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.8	Low	81.6	Confident	190 Å²	190	87.5 Å²	87.5	94%	0.936	43%	0.433	S	S	*	.				0	-40.8	0	-81.7	-130.8	-86.2	0	0	112.7	Q3 L4 N5	M1-Q3 PolarHBondContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-N5 PolarHBondContact O-N 3.41Å; M1-N5 VanDerWaalsContact O-N 3.09Å
2	D	75.4	Confident	82	Confident	137 Å²	137	85.3 Å²	85.3	73%	0.733	44%	0.438	S	S	*	.	H	α-helix	trans	-63.1	-40.2	-176.7	-64.6	-27.3	0	0	0	115	N5 G6	D2-N5 PolarHBondContact O-N 3.16Å; D2-G6 PolarHBondContact O-N 3.4Å
3	Q	79.1	Confident	82.6	Confident	150 Å²	150	81.4 Å²	81.4	70%	0.701	43%	0.432	S	S	*	.	H	α-helix	trans	-63.6	-45.7	175.7	-78.3	179.4	-50	0	0	112.3	M1 N5 G6 L7 L62	M1-Q3 PolarHBondContact O-N 3.15Å; Q3-N5 PolarHBondContact O-N 3.29Å; Q3-G6 WeakPolarHBondContact O-CA 3.39Å; Q3-G6 PolarHBondContact O-N 3.38Å; Q3-L7 PolarHBondContact O-N 3Å; Q3-L62 HydrophobicContact CB-CD1 4.2Å
4	L	82.8	Confident	83.2	Confident	32 Å²	32	75.9 Å²	75.9	17%	0.168	40%	0.403	C	S	.	.	H	α-helix	trans	-59.9	-45.2	177.8	-177.3	65.3	0	0	0	111.7	M1 G6 L7 K8 L59 L63	M1-L4 PolarHBondContact O-N 3.26Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 3.38Å; L4-K8 WeakPolarHBondContact O-CG 3.34Å; L4-K8 PolarHBondContact O-N 3.11Å; L4-L59 HydrophobicContact CD1-CD2 4.13Å; L4-L59 HydrophobicContact CD1-CG 4.11Å; L4-L63 HydrophobicContact CD1-CD2 3.62Å; L4-L63 HydrophobicContact CD1-CG 4.21Å; L4-L63 HydrophobicContact CD2-CD2 3.99Å; L4-L63 HydrophobicContact CG-CD2 4.46Å
5	N	82.6	Confident	83.6	Confident	73 Å²	73	77.7 Å²	77.7	39%	0.39	41%	0.406	S	S	.	.	H	α-helix	trans	-66.8	-29.6	175.7	-73.1	-24.1	0	0	0	112.4	M1 D2 Q3 R9	M1-N5 PolarHBondContact O-N 3.41Å; M1-N5 VanDerWaalsContact O-N 3.09Å; D2-N5 PolarHBondContact O-N 3.16Å; Q3-N5 PolarHBondContact O-N 3.29Å; N5-R9 WeakPolarHBondContact O-CB 3.45Å; N5-R9 WeakPolarHBondContact O-CG 3.47Å; N5-R9 PolarHBondContact O-N 2.97Å; N5-R9 PolarHBondContact O-NE 2.8Å
6	G	85.8	Confident	84	Confident	26 Å²	26	76.4 Å²	76.4	27%	0.268	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-52.7	171.6	0	0	0	0	0	112	D2 Q3 L4 K8 R9 S10	D2-G6 PolarHBondContact O-N 3.4Å; Q3-G6 WeakPolarHBondContact O-CA 3.39Å; Q3-G6 PolarHBondContact O-N 3.38Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 3.2Å; G6-K8 PolarHBondContact O-N 3.45Å; G6-R9 WeakPolarHBondContact O-CB 3.21Å; G6-R9 PolarHBondContact O-N 2.93Å; G6-S10 PolarHBondContact O-N 3.48Å; G6-S10 PolarHBondContact O-OG 2.79Å
7	L	87.1	Confident	84.5	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.094	42%	0.419	C	S	.	.	H	α-helix	trans	-63.1	-42.7	179.6	-65.5	175.2	0	0	0	112.2	Q3 L4 R9 S10 R11 F55 E58 L59 L62	Q3-L7 PolarHBondContact O-N 3Å; L4-L7 PolarHBondContact O-N 3.38Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.48Å; L7-S10 WeakPolarHBondContact O-CB 3.15Å; L7-S10 PolarHBondContact O-N 2.79Å; L7-S10 VanDerWaalsContact O-N 3.13Å; L7-R11 PolarHBondContact O-N 2.85Å; L7-F55 HydrophobicContact CD2-CD1 3.71Å; L7-F55 HydrophobicContact CD2-CE1 4.27Å; L7-E58 HydrophobicContact CD1-CB 4.01Å; L7-E58 HydrophobicContact CD2-CB 4.29Å; L7-L59 HydrophobicContact CB-CB 4.32Å; L7-L59 HydrophobicContact CB-CD1 3.81Å; L7-L59 HydrophobicContact CB-CG 4.11Å; L7-L59 HydrophobicContact CD1-CB 4.01Å; L7-L59 HydrophobicContact CD1-CG 4.36Å; L7-L62 HydrophobicContact CD1-CD1 3.66Å
8	K	84.4	Confident	84.9	Confident	81 Å²	81	76.3 Å²	76.3	35%	0.352	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-38.5	174.8	-74.8	-172.9	173.7	-168.3	0	112.6	L4 G6 A12 L59	L4-K8 WeakPolarHBondContact O-CG 3.34Å; L4-K8 PolarHBondContact O-N 3.11Å; G6-K8 PolarHBondContact O-N 3.45Å; K8-A12 PolarHBondContact O-N 2.94Å; K8-L59 HydrophobicContact CG-CD1 3.88Å
9	R	86.7	Confident	85.2	Confident	173 Å²	173	77.1 Å²	77.1	65%	0.653	41%	0.405	S	S	*	.	H	α-helix	trans	-67.5	-42	173.9	-80.1	-179.8	-77	-151.5	2.2	112.1	N5 G6 L7 R11 A12 G13	N5-R9 WeakPolarHBondContact O-CB 3.45Å; N5-R9 WeakPolarHBondContact O-CG 3.47Å; N5-R9 PolarHBondContact O-N 2.97Å; N5-R9 PolarHBondContact O-NE 2.8Å; G6-R9 WeakPolarHBondContact O-CB 3.21Å; G6-R9 PolarHBondContact O-N 2.93Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.48Å; R9-R11 PolarHBondContact O-N 3.4Å; R9-A12 PolarHBondContact O-N 2.93Å; R9-G13 PolarHBondContact O-N 3.33Å
10	S	88.3	Confident	85.6	Confident	49 Å²	49	77.3 Å²	77.3	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-44.9	174.8	-64.8	0	0	0	0	111.8	G6 L7 G13 L14	G6-S10 PolarHBondContact O-N 3.48Å; G6-S10 PolarHBondContact O-OG 2.79Å; L7-S10 WeakPolarHBondContact O-CB 3.15Å; L7-S10 PolarHBondContact O-N 2.79Å; L7-S10 VanDerWaalsContact O-N 3.13Å; S10-G13 PolarHBondContact O-N 3.31Å; S10-L14 PolarHBondContact O-N 2.89Å
11	R	86.4	Confident	85.9	Confident	34 Å²	34	74.5 Å²	74.5	13%	0.128	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-43.7	175.5	-170.8	178.4	68.4	170.4	-1.7	112.1	L7 R9 G13 L14 K15 E56 E71	L7-R11 PolarHBondContact O-N 2.85Å; R9-R11 PolarHBondContact O-N 3.4Å; R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 3.38Å; R11-L14 PolarHBondContact O-N 3.45Å; R11-K15 PolarHBondContact O-N 3.49Å; R11-E56 WeakPolarHBondContact CD-OE2 3.27Å; R11-E56 IonicContact NH1-OE1 2.74Å; R11-E56 IonicContact NH1-OE2 3.6Å; R11-E56 PolarHBondContact NH1-OE2 2.64Å; R11-E71 IonicContact CZ-OE1 3.78Å; R11-E71 IonicContact CZ-OE2 3.98Å; R11-E71 IonicContact NE-OE1 3.58Å; R11-E71 IonicContact NH1-OE1 3.84Å; R11-E71 PolarHBondContact NH1-OE1 3.36Å; R11-E71 IonicContact NH1-OE2 3.24Å; R11-E71 PolarHBondContact NH1-OE2 2.96Å; R11-E71 IonicContact NH2-OE1 2.8Å; R11-E71 PolarHBondContact NH2-OE1 3.08Å; R11-E71 IonicContact NH2-OE2 2.71Å; R11-E71 PolarHBondContact NH2-OE2 3.08Å
12	A	86.6	Confident	87.4	Confident	60 Å²	60	67.1 Å²	67.1	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-39.2	174.5	0	0	0	0	0	112.2	K8 R9 K15 A16	K8-A12 PolarHBondContact O-N 2.94Å; R9-A12 PolarHBondContact O-N 2.93Å; A12-K15 PolarHBondContact O-N 3.19Å; A12-A16 PolarHBondContact O-N 2.9Å
13	G	90.2	Very high	88.2	Confident	35 Å²	35	68 Å²	68	36%	0.361	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-39.6	174.1	0	0	0	0	0	113.4	R9 S10 R11 A16 R17	R9-G13 PolarHBondContact O-N 3.33Å; S10-G13 PolarHBondContact O-N 3.31Å; R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 3.38Å; G13-A16 PolarHBondContact O-N 2.95Å; G13-R17 WeakPolarHBondContact O-CG 3.36Å; G13-R17 PolarHBondContact O-N 3.5Å; G13-R17 VanDerWaalsContact O-N 3.12Å
14	L	90.5	Very high	88.7	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-41	174.4	-69.4	178.6	0	0	0	112	S10 R11 A16 R17 L18 V48 K51 A52 F55	S10-L14 PolarHBondContact O-N 2.89Å; R11-L14 PolarHBondContact O-N 3.45Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.35Å; L14-R17 PolarHBondContact O-N 2.86Å; L14-L18 PolarHBondContact O-N 2.84Å; L14-V48 HydrophobicContact CB-CG1 4.41Å; L14-V48 HydrophobicContact CD2-CG1 4.34Å; L14-K51 HydrophobicContact CD1-CB 4.14Å; L14-K51 HydrophobicContact CD2-CB 4.33Å; L14-A52 HydrophobicContact CD1-CB 3.8Å; L14-F55 HydrophobicContact CD1-CD2 3.6Å; L14-F55 HydrophobicContact CD1-CE2 4.02Å
15	K	88.9	Confident	89.1	Confident	103 Å²	103	63.7 Å²	63.7	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-43	174.2	-172	174.1	-178	173.1	0	111.7	R11 A12 L18 T19	R11-K15 PolarHBondContact O-N 3.49Å; A12-K15 PolarHBondContact O-N 3.19Å; K15-L18 PolarHBondContact O-N 3.36Å; K15-T19 PolarHBondContact O-N 3.23Å; K15-T19 PolarHBondContact O-OG1 3.43Å
16	A	90.7	Very high	89.4	Confident	57 Å²	57	65 Å²	65	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-42.8	175.8	0	0	0	0	0	112.3	A12 G13 L14 T19 V20	A12-A16 PolarHBondContact O-N 2.9Å; G13-A16 PolarHBondContact O-N 2.95Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.35Å; A16-T19 WeakPolarHBondContact O-CB 3.43Å; A16-T19 PolarHBondContact O-N 2.97Å; A16-V20 PolarHBondContact O-N 3.48Å; A16-V20 VanDerWaalsContact O-N 3.17Å
17	R	91.8	Very high	89.5	Confident	147 Å²	147	66.8 Å²	66.8	56%	0.555	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-43.2	174.6	-71.1	175.8	-176.6	165.6	1.9	112.1	G13 L14 T19 V20 L21 V48	G13-R17 WeakPolarHBondContact O-CG 3.36Å; G13-R17 PolarHBondContact O-N 3.5Å; G13-R17 VanDerWaalsContact O-N 3.12Å; L14-R17 PolarHBondContact O-N 2.86Å; R17-T19 VanDerWaalsContact C-N 3.29Å; R17-T19 PolarHBondContact O-N 3.27Å; R17-V20 PolarHBondContact O-N 2.88Å; R17-L21 WeakPolarHBondContact O-CG 3.48Å; R17-L21 PolarHBondContact O-N 3.4Å; R17-V48 HydrophobicContact CB-CG2 4.41Å
18	L	91.5	Very high	89.5	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-41.7	176	-174.9	67.3	0	0	0	111	L14 K15 V20 L21 T22 V45 V48 M78 D81 I82 L85	L14-L18 PolarHBondContact O-N 2.84Å; K15-L18 PolarHBondContact O-N 3.36Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 2.95Å; L18-L21 PolarHBondContact O-N 3.33Å; L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 2.92Å; L18-V45 HydrophobicContact CD1-CG1 4.2Å; L18-V48 HydrophobicContact CB-CG1 4.37Å; L18-M78 HydrophobicContact CD2-CG 3.61Å; L18-D81 HydrophobicContact CD2-CB 4.29Å; L18-I82 HydrophobicContact CD1-CG1 3.73Å; L18-I82 HydrophobicContact CD2-CD1 4.24Å; L18-I82 HydrophobicContact CD2-CG1 3.74Å; L18-I82 HydrophobicContact CG-CG1 4.41Å; L18-L85 HydrophobicContact CD1-CD1 3.86Å
19	T	92.1	Very high	89.6	Confident	90 Å²	90	63 Å²	63	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-60.8	-39.3	176.1	-55.4	0	0	0	0	112.7	K15 A16 R17 K23	K15-T19 PolarHBondContact O-N 3.23Å; K15-T19 PolarHBondContact O-OG1 3.43Å; A16-T19 WeakPolarHBondContact O-CB 3.43Å; A16-T19 PolarHBondContact O-N 2.97Å; R17-T19 VanDerWaalsContact C-N 3.29Å; R17-T19 PolarHBondContact O-N 3.27Å; T19-K23 PolarHBondContact O-N 2.75Å
20	V	92	Very high	89.4	Confident	82 Å²	82	59.1 Å²	59.1	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-50.8	175.4	175.3	0	0	0	0	110.6	A16 R17 L18 T22 K23 E24	A16-V20 PolarHBondContact O-N 3.48Å; A16-V20 VanDerWaalsContact O-N 3.17Å; R17-V20 PolarHBondContact O-N 2.88Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 2.95Å; V20-T22 VanDerWaalsContact C-N 3.29Å; V20-T22 PolarHBondContact O-N 3.48Å; V20-K23 WeakPolarHBondContact O-CB 3.35Å; V20-K23 PolarHBondContact O-N 2.88Å; V20-E24 PolarHBondContact O-N 3.47Å
21	L	91.9	Very high	89	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-37.9	178.8	-70.4	172	0	0	0	112.3	R17 L18 K23 E24 L25 L41 C44 V45 V48	R17-L21 WeakPolarHBondContact O-CG 3.48Å; R17-L21 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.33Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.05Å; L21-E24 PolarHBondContact O-N 3.01Å; L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 PolarHBondContact O-N 3.16Å; L21-L41 HydrophobicContact CD2-CD2 4.19Å; L21-C44 HydrophobicContact CD1-CB 4.05Å; L21-C44 HydrophobicContact CD2-CB 3.74Å; L21-V45 HydrophobicContact CB-CG2 3.91Å; L21-V45 HydrophobicContact CD1-CG2 4.09Å; L21-V48 HydrophobicContact CD1-CG2 3.84Å
22	T	91.6	Very high	88	Confident	35 Å²	35	64.4 Å²	64.4	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-46.4	172.8	-67.8	0	0	0	0	111.4	L18 V20 K26 L85	L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 PolarHBondContact O-N 2.93Å; L18-T22 PolarHBondContact O-OG1 2.92Å; V20-T22 VanDerWaalsContact C-N 3.29Å; V20-T22 PolarHBondContact O-N 3.48Å; T22-K26 HydrophobicContact CG2-CD 4.15Å; T22-K26 VanDerWaalsContact O-CB 3.31Å; T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 VanDerWaalsContact O-CG 3.27Å; T22-K26 WeakPolarHBondContact O-CG 3.18Å; T22-K26 PolarHBondContact O-N 2.96Å; T22-L85 HydrophobicContact CG2-CD2 3.85Å; T22-L85 VanDerWaalsContact OG1-CD1 3.3Å; T22-L85 WeakPolarHBondContact OG1-CD1 3.32Å
23	K	91.7	Very high	87	Confident	154 Å²	154	66.2 Å²	66.2	67%	0.67	36%	0.357	S	S	*	.	H	α-helix	trans	-66.5	-42.6	179.6	-172.1	-177.8	178	-176	0	110.8	T19 V20 L21 T27	T19-K23 PolarHBondContact O-N 2.75Å; V20-K23 WeakPolarHBondContact O-CB 3.35Å; V20-K23 PolarHBondContact O-N 2.88Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.05Å; K23-T27 VanDerWaalsContact O-CB 3.3Å; K23-T27 WeakPolarHBondContact O-CB 3.41Å; K23-T27 PolarHBondContact O-N 3.03Å; K23-T27 PolarHBondContact O-OG1 3.45Å
24	E	90.5	Very high	86.2	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-47.7	178.6	-71.6	177.3	178.9	0	0	111.7	V20 L21 T27 A28 L41	V20-E24 PolarHBondContact O-N 3.47Å; L21-E24 PolarHBondContact O-N 3.01Å; E24-T27 WeakPolarHBondContact O-CB 3.33Å; E24-T27 PolarHBondContact O-N 3.36Å; E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 2.83Å; E24-L41 HydrophobicContact CB-CD1 4.22Å; E24-L41 HydrophobicContact CB-CD2 3.89Å; E24-L41 WeakPolarHBondContact OE2-CD2 3.27Å
25	L	90.1	Very high	85.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-46.9	179.1	-170.7	77.9	0	0	0	111.6	L21 T27 A28 C29 V38 L41 M42 L85 A89	L21-L25 VanDerWaalsContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 PolarHBondContact O-N 3.16Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.42Å; L25-A28 PolarHBondContact O-N 2.61Å; L25-C29 WeakPolarHBondContact O-CB 3.44Å; L25-C29 PolarHBondContact O-N 3.09Å; L25-C29 PolarHBondContact O-SG 3.04Å; L25-V38 HydrophobicContact CD1-CG1 3.96Å; L25-L41 HydrophobicContact CD1-CB 3.74Å; L25-L41 HydrophobicContact CD1-CD1 4.42Å; L25-M42 HydrophobicContact CD1-CE 3.87Å; L25-M42 HydrophobicContact CD2-CE 3.45Å; L25-M42 VanDerWaalsContact CD2-CE 3.45Å; L25-M42 HydrophobicContact CG-CE 4.32Å; L25-L85 HydrophobicContact CD2-CB 3.92Å; L25-L85 HydrophobicContact CD2-CD2 3.9Å; L25-L85 HydrophobicContact CD2-CG 4.45Å; L25-A89 HydrophobicContact CD2-CB 4.44Å
26	K	89	Confident	85.4	Confident	100 Å²	100	71 Å²	71	44%	0.435	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-41.2	175.9	-76	-173.5	170.5	-174.4	0	111.9	T22 S30 E88	T22-K26 HydrophobicContact CG2-CD 4.15Å; T22-K26 VanDerWaalsContact O-CB 3.31Å; T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 VanDerWaalsContact O-CG 3.27Å; T22-K26 WeakPolarHBondContact O-CG 3.18Å; T22-K26 PolarHBondContact O-N 2.96Å; K26-S30 WeakPolarHBondContact O-CB 3.27Å; K26-S30 PolarHBondContact O-N 3.33Å; K26-S30 PolarHBondContact O-OG 2.88Å; K26-S30 VanDerWaalsContact O-OG 3.11Å; K26-E88 WeakPolarHBondContact CE-OE2 3.49Å
27	T	88.8	Confident	85.1	Confident	64 Å²	64	70 Å²	70	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.3	-55.1	0	0	0	0	110.9	K23 E24 L25 S30 T31	K23-T27 VanDerWaalsContact O-CB 3.3Å; K23-T27 WeakPolarHBondContact O-CB 3.41Å; K23-T27 PolarHBondContact O-N 3.03Å; K23-T27 PolarHBondContact O-OG1 3.45Å; E24-T27 WeakPolarHBondContact O-CB 3.33Å; E24-T27 PolarHBondContact O-N 3.36Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.42Å; T27-S30 PolarHBondContact O-N 3.15Å; T27-S30 PolarHBondContact O-OG 3.23Å; T27-T31 HydrophobicContact CG2-CG2 4.2Å; T27-T31 WeakPolarHBondContact O-CB 3.25Å; T27-T31 WeakPolarHBondContact O-CG2 3.35Å; T27-T31 PolarHBondContact O-N 3.36Å; T27-T31 PolarHBondContact O-OG1 3.01Å
28	A	86.4	Confident	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-45.1	178.9	0	0	0	0	0	111.5	E24 L25 L32 Q33 V38 L41	E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 2.83Å; L25-A28 PolarHBondContact O-N 2.61Å; A28-L32 PolarHBondContact O-N 3.05Å; A28-Q33 HydrophobicContact CB-CB 4.22Å; A28-Q33 VanDerWaalsContact CB-OE1 3.26Å; A28-Q33 PolarHBondContact O-N 3.39Å; A28-Q33 VanDerWaalsContact O-N 3.11Å; A28-V38 HydrophobicContact CB-CG2 4.03Å; A28-L41 HydrophobicContact CB-CD1 3.83Å
29	C	85.7	Confident	84.7	Confident	20 Å²	20	68.1 Å²	68.1	14%	0.135	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-41.6	175.1	-71	0	0	0	0	112.3	L25 Y92	L25-C29 WeakPolarHBondContact O-CB 3.44Å; L25-C29 PolarHBondContact O-N 3.09Å; L25-C29 PolarHBondContact O-SG 3.04Å; C29-Y92 HydrophobicContact CB-CD2 4.23Å
30	S	82.7	Confident	84.6	Confident	92 Å²	92	70.5 Å²	70.5	64%	0.643	38%	0.377	S	S	*	.	H	α-helix	trans	-75.6	-31.9	-178.9	65.9	0	0	0	0	113.8	K26 T27 L32	K26-S30 WeakPolarHBondContact O-CB 3.27Å; K26-S30 PolarHBondContact O-N 3.33Å; K26-S30 PolarHBondContact O-OG 2.88Å; K26-S30 VanDerWaalsContact O-OG 3.11Å; T27-S30 PolarHBondContact O-N 3.15Å; T27-S30 PolarHBondContact O-OG 3.23Å; S30-L32 VanDerWaalsContact C-N 3.32Å
31	T	79.8	Confident	84.6	Confident	81 Å²	81	67.9 Å²	67.9	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.3	-178.5	56	0	0	0	0	113.2	T27 Q33	T27-T31 HydrophobicContact CG2-CG2 4.2Å; T27-T31 WeakPolarHBondContact O-CB 3.25Å; T27-T31 WeakPolarHBondContact O-CG2 3.35Å; T27-T31 PolarHBondContact O-N 3.36Å; T27-T31 PolarHBondContact O-OG1 3.01Å; T31-Q33 PolarHBondContact O-N 3.06Å
32	L	66.2	Low	84.5	Confident	113 Å²	113	68.1 Å²	68.1	59%	0.592	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	41.8	-176.7	-67.3	160.4	0	0	0	112	A28 S30 Y92	A28-L32 PolarHBondContact O-N 3.05Å; S30-L32 VanDerWaalsContact C-N 3.32Å; L32-Y92 HydrophobicContact CD2-CE2 4.19Å
33	Q	64.8	Low	84.5	Confident	97 Å²	97	70.6 Å²	70.6	45%	0.453	38%	0.376	S	S	.	.			trans	-61.7	161.1	171.5	-85.6	-179.5	-19.3	0	0	111.2	A28 T31 A35 Y92	A28-Q33 HydrophobicContact CB-CB 4.22Å; A28-Q33 VanDerWaalsContact CB-OE1 3.26Å; A28-Q33 PolarHBondContact O-N 3.39Å; A28-Q33 VanDerWaalsContact O-N 3.11Å; T31-Q33 PolarHBondContact O-N 3.06Å; Q33-A35 PolarHBondContact O-N 2.88Å; Q33-Y92 PolarHBondContact O-OH 3.19Å
34	D	73.3	Confident	84.6	Confident	102 Å²	102	65.9 Å²	65.9	55%	0.545	36%	0.362	S	S	.	.			trans	-44.4	133.2	178.9	-171.5	-13.9	0	0	0	111.5	L36 A37 V38	D34-L36 PolarHBondContact O-N 3.24Å; D34-L36 VanDerWaalsContact O-N 3.12Å; D34-L36 PolarHBondContact OD1-N 2.98Å; D34-A37 HydrophobicContact CB-CB 4.45Å; D34-A37 WeakPolarHBondContact O-CA 3.4Å; D34-A37 WeakPolarHBondContact O-CB 3.38Å; D34-A37 PolarHBondContact O-N 3.37Å; D34-V38 PolarHBondContact O-N 3.5Å
35	A	82.3	Confident	84.7	Confident	32 Å²	32	61.5 Å²	61.5	26%	0.264	34%	0.342	S	S	.	.	H	α-helix	trans	-53.7	-32.5	177.4	0	0	0	0	0	112	Q33 V38 E39 Y92 F93	Q33-A35 PolarHBondContact O-N 2.88Å; A35-V38 PolarHBondContact O-N 2.98Å; A35-E39 PolarHBondContact O-N 3.24Å; A35-Y92 HydrophobicContact CB-CE1 4.39Å; A35-F93 HydrophobicContact CB-CE1 4.09Å
36	L	80.6	Confident	84.8	Confident	110 Å²	110	64.2 Å²	64.2	58%	0.576	36%	0.356	S	S	*	.	H	α-helix	trans	-63.6	-38.2	174.2	-71.1	166.1	0	0	0	112.5	D34 E39 E40	D34-L36 PolarHBondContact O-N 3.24Å; D34-L36 VanDerWaalsContact O-N 3.12Å; D34-L36 PolarHBondContact OD1-N 2.98Å; L36-E39 PolarHBondContact O-N 3.22Å; L36-E40 WeakPolarHBondContact O-CB 3.38Å; L36-E40 PolarHBondContact O-N 3.29Å
37	A	83.7	Confident	84.9	Confident	37 Å²	37	62 Å²	62	31%	0.306	36%	0.356	S	S	.	.	H	α-helix	trans	-67.2	-39.6	178.3	0	0	0	0	0	111.5	D34 E39 E40 L41	D34-A37 HydrophobicContact CB-CB 4.45Å; D34-A37 WeakPolarHBondContact O-CA 3.4Å; D34-A37 WeakPolarHBondContact O-CB 3.38Å; D34-A37 PolarHBondContact O-N 3.37Å; A37-E39 VanDerWaalsContact C-N 3.34Å; A37-E40 PolarHBondContact O-N 3.29Å; A37-L41 WeakPolarHBondContact O-CB 3.4Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 3.32Å
38	V	88.6	Confident	85.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-39.6	174.6	179.9	0	0	0	0	110.9	L25 A28 D34 A35 M42 A89 Y92 F93	L25-V38 HydrophobicContact CD1-CG1 3.96Å; A28-V38 HydrophobicContact CB-CG2 4.03Å; D34-V38 PolarHBondContact O-N 3.5Å; A35-V38 PolarHBondContact O-N 2.98Å; V38-M42 PolarHBondContact O-N 3.42Å; V38-A89 HydrophobicContact CG1-CB 4.13Å; V38-Y92 HydrophobicContact CB-CD1 4.23Å; V38-Y92 HydrophobicContact CB-CE1 4.15Å; V38-Y92 HydrophobicContact CG1-CD1 3.95Å; V38-Y92 HydrophobicContact CG1-CE1 4.39Å; V38-Y92 HydrophobicContact CG2-CD1 4.06Å; V38-Y92 HydrophobicContact CG2-CE1 3.79Å; V38-Y92 HydrophobicContact CG2-CE2 4.4Å; V38-F93 HydrophobicContact CB-CZ 4.12Å; V38-F93 HydrophobicContact CG1-CE2 4.12Å; V38-F93 HydrophobicContact CG1-CZ 3.9Å
39	E	88	Confident	85.3	Confident	110 Å²	110	59.8 Å²	59.8	51%	0.514	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-41.2	177.1	-168.6	170.6	-158.6	0	0	112.3	A35 L36 A37 M42 T43 F93	A35-E39 PolarHBondContact O-N 3.24Å; L36-E39 PolarHBondContact O-N 3.22Å; A37-E39 VanDerWaalsContact C-N 3.34Å; E39-M42 WeakPolarHBondContact O-CB 3.21Å; E39-M42 PolarHBondContact O-N 2.84Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 2.9Å; E39-F93 HydrophobicContact CB-CZ 4.03Å
40	E	89.3	Confident	85.6	Confident	141 Å²	141	63.8 Å²	63.8	66%	0.659	37%	0.367	S	S	*	.	H	α-helix	trans	-70.2	-38.3	178	-169.2	149.4	-174.3	0	0	112.3	L36 A37 M42 T43 C44	L36-E40 WeakPolarHBondContact O-CB 3.38Å; L36-E40 PolarHBondContact O-N 3.29Å; A37-E40 PolarHBondContact O-N 3.29Å; E40-M42 VanDerWaalsContact C-N 3.33Å; E40-M42 PolarHBondContact O-N 3.25Å; E40-T43 WeakPolarHBondContact O-CB 3.45Å; E40-T43 PolarHBondContact O-N 3.48Å; E40-C44 PolarHBondContact O-N 3.07Å; E40-C44 PolarHBondContact O-SG 3.18Å
41	L	91.1	Very high	86	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-39.9	170.9	-74.9	170.5	0	0	0	111.7	L21 E24 L25 A28 A37 T43 C44 V45	L21-L41 HydrophobicContact CD2-CD2 4.19Å; E24-L41 HydrophobicContact CB-CD1 4.22Å; E24-L41 HydrophobicContact CB-CD2 3.89Å; E24-L41 WeakPolarHBondContact OE2-CD2 3.27Å; L25-L41 HydrophobicContact CD1-CB 3.74Å; L25-L41 HydrophobicContact CD1-CD1 4.42Å; A28-L41 HydrophobicContact CB-CD1 3.83Å; A37-L41 WeakPolarHBondContact O-CB 3.4Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 3.32Å; L41-T43 VanDerWaalsContact C-N 3.33Å; L41-T43 PolarHBondContact O-N 2.95Å; L41-C44 WeakPolarHBondContact O-CB 3.41Å; L41-C44 PolarHBondContact O-N 2.95Å; L41-V45 WeakPolarHBondContact O-CG2 3.45Å; L41-V45 PolarHBondContact O-N 3.43Å
42	M	91.2	Very high	86.5	Confident	24 Å²	24	61 Å²	61	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-39.8	175.3	-166.8	55.8	44.5	0	0	112	L25 V38 E39 E40 C44 V45 D46 R86 A89	L25-M42 HydrophobicContact CD1-CE 3.87Å; L25-M42 HydrophobicContact CD2-CE 3.45Å; L25-M42 VanDerWaalsContact CD2-CE 3.45Å; L25-M42 HydrophobicContact CG-CE 4.32Å; V38-M42 PolarHBondContact O-N 3.42Å; E39-M42 WeakPolarHBondContact O-CB 3.21Å; E39-M42 PolarHBondContact O-N 2.84Å; E40-M42 VanDerWaalsContact C-N 3.33Å; E40-M42 PolarHBondContact O-N 3.25Å; M42-C44 VanDerWaalsContact C-N 3.26Å; M42-C44 PolarHBondContact O-N 3.23Å; M42-V45 WeakPolarHBondContact O-CB 3.43Å; M42-V45 PolarHBondContact O-N 3.45Å; M42-V45 VanDerWaalsContact O-N 3.13Å; M42-V45 HydrophobicContact SD-CB 4.43Å; M42-D46 PolarHBondContact O-N 3.08Å; M42-R86 HydrophobicContact SD-CB 4.4Å; M42-R86 HydrophobicContact SD-CG 3.69Å; M42-A89 HydrophobicContact CE-CB 3.19Å
43	T	91.7	Very high	87.6	Confident	87 Å²	87	57.4 Å²	57.4	53%	0.534	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-38.8	174.2	-57.3	0	0	0	0	111.3	E39 E40 L41 D46 A47	E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 2.9Å; E40-T43 WeakPolarHBondContact O-CB 3.45Å; E40-T43 PolarHBondContact O-N 3.48Å; L41-T43 VanDerWaalsContact C-N 3.33Å; L41-T43 PolarHBondContact O-N 2.95Å; T43-D46 PolarHBondContact O-N 3.18Å; T43-A47 PolarHBondContact O-N 3.17Å
44	C	92.4	Very high	88.7	Confident	55 Å²	55	55.1 Å²	55.1	37%	0.372	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-41.4	174.2	-65.2	0	0	0	0	112.6	L21 E40 L41 M42 A47 V48	L21-C44 HydrophobicContact CD1-CB 4.05Å; L21-C44 HydrophobicContact CD2-CB 3.74Å; E40-C44 PolarHBondContact O-N 3.07Å; E40-C44 PolarHBondContact O-SG 3.18Å; L41-C44 WeakPolarHBondContact O-CB 3.41Å; L41-C44 PolarHBondContact O-N 2.95Å; M42-C44 VanDerWaalsContact C-N 3.26Å; M42-C44 PolarHBondContact O-N 3.23Å; C44-A47 PolarHBondContact O-N 2.91Å; C44-V48 WeakPolarHBondContact O-CG2 3.07Å; C44-V48 PolarHBondContact O-N 2.99Å; C44-V48 VanDerWaalsContact O-N 3.09Å
45	V	92.6	Very high	89.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-44.9	175.5	171.6	0	0	0	0	110.7	L18 L21 L41 M42 A47 V48 A49 I82 L85	L18-V45 HydrophobicContact CD1-CG1 4.2Å; L21-V45 HydrophobicContact CB-CG2 3.91Å; L21-V45 HydrophobicContact CD1-CG2 4.09Å; L41-V45 WeakPolarHBondContact O-CG2 3.45Å; L41-V45 PolarHBondContact O-N 3.43Å; M42-V45 WeakPolarHBondContact O-CB 3.43Å; M42-V45 PolarHBondContact O-N 3.45Å; M42-V45 VanDerWaalsContact O-N 3.13Å; M42-V45 HydrophobicContact SD-CB 4.43Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.26Å; V45-V48 PolarHBondContact O-N 3.02Å; V45-V48 VanDerWaalsContact O-N 3.17Å; V45-A49 PolarHBondContact O-N 3.23Å; V45-I82 HydrophobicContact CG1-CG2 4.12Å; V45-L85 HydrophobicContact CG1-CD1 4.21Å; V45-L85 HydrophobicContact CG2-CD1 4.31Å
46	D	92.5	Very high	89.6	Confident	58 Å²	58	51.7 Å²	51.7	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178.2	-74.3	-24.1	0	0	0	112	M42 T43 V48 A49 V50 R86	M42-D46 PolarHBondContact O-N 3.08Å; T43-D46 PolarHBondContact O-N 3.18Å; D46-V48 VanDerWaalsContact C-N 3.33Å; D46-V48 PolarHBondContact O-N 3.32Å; D46-A49 WeakPolarHBondContact O-CB 3.5Å; D46-A49 PolarHBondContact O-N 3.42Å; D46-V50 WeakPolarHBondContact O-CG2 3.41Å; D46-V50 PolarHBondContact O-N 2.98Å; D46-R86 IonicContact OD1-CZ 2.75Å; D46-R86 IonicContact OD1-NE 3.56Å; D46-R86 PolarHBondContact OD1-NE 3.22Å; D46-R86 IonicContact OD1-NH2 3.06Å; D46-R86 PolarHBondContact OD1-NH2 3.2Å
47	A	92.3	Very high	89.9	Confident	53 Å²	53	53.2 Å²	53.2	44%	0.438	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-34.9	174.8	0	0	0	0	0	113	T43 C44 V45 K51	T43-A47 PolarHBondContact O-N 3.17Å; C44-A47 PolarHBondContact O-N 2.91Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.26Å; A47-K51 PolarHBondContact O-N 2.73Å
48	V	91.4	Very high	90.2	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.085	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-43	172.9	171.1	0	0	0	0	110.5	L14 R17 L18 L21 C44 V45 D46 V50 K51 A52	L14-V48 HydrophobicContact CB-CG1 4.41Å; L14-V48 HydrophobicContact CD2-CG1 4.34Å; R17-V48 HydrophobicContact CB-CG2 4.41Å; L18-V48 HydrophobicContact CB-CG1 4.37Å; L21-V48 HydrophobicContact CD1-CG2 3.84Å; C44-V48 WeakPolarHBondContact O-CG2 3.07Å; C44-V48 PolarHBondContact O-N 2.99Å; C44-V48 VanDerWaalsContact O-N 3.09Å; V45-V48 PolarHBondContact O-N 3.02Å; V45-V48 VanDerWaalsContact O-N 3.17Å; D46-V48 VanDerWaalsContact C-N 3.33Å; D46-V48 PolarHBondContact O-N 3.32Å; V48-V50 PolarHBondContact O-N 3.35Å; V48-K51 PolarHBondContact O-N 3.26Å; V48-A52 WeakPolarHBondContact O-CB 3.14Å; V48-A52 PolarHBondContact O-N 3.03Å
49	A	91.5	Very high	90.1	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-50.9	178.5	0	0	0	0	0	111.7	V45 D46 K51 A52 S53 I82	V45-A49 PolarHBondContact O-N 3.23Å; D46-A49 WeakPolarHBondContact O-CB 3.5Å; D46-A49 PolarHBondContact O-N 3.42Å; A49-K51 PolarHBondContact O-N 3.44Å; A49-A52 PolarHBondContact O-N 3.4Å; A49-A52 VanDerWaalsContact O-N 3.08Å; A49-S53 PolarHBondContact O-N 3.26Å; A49-S53 PolarHBondContact O-OG 3.46Å; A49-S53 VanDerWaalsContact O-OG 3.08Å; A49-I82 HydrophobicContact CB-CD1 3.85Å; A49-I82 HydrophobicContact CB-CG2 4.22Å
50	V	91.6	Very high	90	Very high	103 Å²	103	55.1 Å²	55.1	62%	0.624	30%	0.297	S	S	*	.	H	α-helix	trans	-58.7	-44.8	179.6	171.9	0	0	0	0	112	D46 V48 A52 S53 S54	D46-V50 WeakPolarHBondContact O-CG2 3.41Å; D46-V50 PolarHBondContact O-N 2.98Å; V48-V50 PolarHBondContact O-N 3.35Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 2.83Å; V50-S53 PolarHBondContact O-N 3.21Å; V50-S54 PolarHBondContact O-N 2.88Å
51	K	91	Very high	89.9	Confident	113 Å²	113	51.5 Å²	51.5	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-39.4	176.8	-77.7	178.1	-178.6	170.1	0	111.6	L14 A47 V48 A49 S54 F55	L14-K51 HydrophobicContact CD1-CB 4.14Å; L14-K51 HydrophobicContact CD2-CB 4.33Å; A47-K51 PolarHBondContact O-N 2.73Å; V48-K51 PolarHBondContact O-N 3.26Å; A49-K51 PolarHBondContact O-N 3.44Å; K51-S54 PolarHBondContact O-N 2.96Å; K51-S54 PolarHBondContact O-OG 2.85Å; K51-F55 WeakPolarHBondContact O-CD2 3.25Å; K51-F55 PolarHBondContact O-N 3.08Å; K51-F55 VanDerWaalsContact O-N 3.13Å
52	A	89.4	Confident	89.6	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-40.8	-178.9	0	0	0	0	0	112	L14 V48 A49 V50 S54 F55 E56 Y75 M78	L14-A52 HydrophobicContact CD1-CB 3.8Å; V48-A52 WeakPolarHBondContact O-CB 3.14Å; V48-A52 PolarHBondContact O-N 3.03Å; A49-A52 PolarHBondContact O-N 3.4Å; A49-A52 VanDerWaalsContact O-N 3.08Å; V50-A52 VanDerWaalsContact C-N 3.31Å; V50-A52 PolarHBondContact O-N 2.83Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.48Å; A52-F55 PolarHBondContact O-N 2.92Å; A52-E56 PolarHBondContact O-N 3.14Å; A52-Y75 HydrophobicContact CB-CE2 4.25Å; A52-M78 HydrophobicContact CB-CE 3.26Å; A52-M78 HydrophobicContact CB-SD 4.28Å
53	S	89.4	Confident	89.3	Confident	37 Å²	37	54.3 Å²	54.3	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-44.7	173.3	-49	0	0	0	0	111.7	A49 V50 F55 E56 E57 Y75	A49-S53 PolarHBondContact O-N 3.26Å; A49-S53 PolarHBondContact O-OG 3.46Å; A49-S53 VanDerWaalsContact O-OG 3.08Å; V50-S53 PolarHBondContact O-N 3.21Å; S53-F55 VanDerWaalsContact C-N 3.34Å; S53-F55 PolarHBondContact O-N 3.13Å; S53-E56 PolarHBondContact O-N 3.4Å; S53-E57 PolarHBondContact O-N 3.36Å; S53-Y75 WeakPolarHBondContact CA-OH 3.4Å; S53-Y75 WeakPolarHBondContact CB-OH 2.83Å; S53-Y75 PolarHBondContact OG-OH 3.21Å
54	S	89.4	Confident	89	Confident	49 Å²	49	53 Å²	53	34%	0.343	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-38.1	178.8	67.3	0	0	0	0	113.4	V50 K51 A52 E58	V50-S54 PolarHBondContact O-N 2.88Å; K51-S54 PolarHBondContact O-N 2.96Å; K51-S54 PolarHBondContact O-OG 2.85Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.48Å; S54-E58 PolarHBondContact O-N 3.41Å
55	F	86.3	Confident	88.3	Confident	57 Å²	57	59.1 Å²	59.1	25%	0.25	33%	0.33	C	S	.	.	H	α-helix	trans	-74.1	-32.3	177	-75.9	-57.4	0	0	0	112.8	L7 L14 K51 A52 S53 E58 L59	L7-F55 HydrophobicContact CD2-CD1 3.71Å; L7-F55 HydrophobicContact CD2-CE1 4.27Å; L14-F55 HydrophobicContact CD1-CD2 3.6Å; L14-F55 HydrophobicContact CD1-CE2 4.02Å; K51-F55 WeakPolarHBondContact O-CD2 3.25Å; K51-F55 PolarHBondContact O-N 3.08Å; K51-F55 VanDerWaalsContact O-N 3.13Å; A52-F55 PolarHBondContact O-N 2.92Å; S53-F55 VanDerWaalsContact C-N 3.34Å; S53-F55 PolarHBondContact O-N 3.13Å; F55-E58 PolarHBondContact O-N 3.06Å; F55-L59 WeakPolarHBondContact O-CB 3.22Å; F55-L59 PolarHBondContact O-N 2.68Å
56	E	87.4	Confident	87.7	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.019	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-44.7	176.1	-165.8	68	-161.7	0	0	110.5	R11 A52 S53 E58 L59 E60 E71 Y75	R11-E56 WeakPolarHBondContact CD-OE2 3.27Å; R11-E56 IonicContact NH1-OE1 2.74Å; R11-E56 IonicContact NH1-OE2 3.6Å; R11-E56 PolarHBondContact NH1-OE2 2.64Å; A52-E56 PolarHBondContact O-N 3.14Å; S53-E56 PolarHBondContact O-N 3.4Å; E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.97Å; E56-L59 PolarHBondContact O-N 3.17Å; E56-E60 HydrophobicContact CG-CG 4.37Å; E56-E60 WeakPolarHBondContact O-CB 3.37Å; E56-E60 WeakPolarHBondContact O-CG 3.42Å; E56-E60 PolarHBondContact O-N 3.43Å; E56-E71 WeakPolarHBondContact OE1-CG 3.49Å; E56-Y75 HydrophobicContact CB-CD2 3.66Å; E56-Y75 HydrophobicContact CB-CE2 3.82Å; E56-Y75 HydrophobicContact CB-CG 4.12Å; E56-Y75 VanDerWaalsContact CD-CB 3.44Å; E56-Y75 HydrophobicContact CG-CD1 4.05Å; E56-Y75 HydrophobicContact CG-CD2 3.62Å; E56-Y75 HydrophobicContact CG-CE2 4.2Å; E56-Y75 HydrophobicContact CG-CG 3.55Å
57	E	87.4	Confident	87.3	Confident	142 Å²	142	69.3 Å²	69.3	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-56.4	-42.8	173.9	-72.2	177.1	-173.3	0	0	112.2	S53 L59 G61	S53-E57 PolarHBondContact O-N 3.36Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.91Å; E57-G61 PolarHBondContact O-N 3.24Å
58	E	89	Confident	86.8	Confident	111 Å²	111	68.7 Å²	68.7	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-36.1	175.3	-75.4	-177.9	-148.9	0	0	112.7	L7 S54 F55 E56 L62	L7-E58 HydrophobicContact CD1-CB 4.01Å; L7-E58 HydrophobicContact CD2-CB 4.29Å; S54-E58 PolarHBondContact O-N 3.41Å; F55-E58 PolarHBondContact O-N 3.06Å; E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.97Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å
59	L	86.7	Confident	86.4	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-78	-42.1	-175.4	-163.2	162.5	0	0	0	110.6	L4 L7 K8 F55 E56 E57 G61 L62 L63 E71	L4-L59 HydrophobicContact CD1-CD2 4.13Å; L4-L59 HydrophobicContact CD1-CG 4.11Å; L7-L59 HydrophobicContact CB-CB 4.32Å; L7-L59 HydrophobicContact CB-CD1 3.81Å; L7-L59 HydrophobicContact CB-CG 4.11Å; L7-L59 HydrophobicContact CD1-CB 4.01Å; L7-L59 HydrophobicContact CD1-CG 4.36Å; K8-L59 HydrophobicContact CG-CD1 3.88Å; F55-L59 WeakPolarHBondContact O-CB 3.22Å; F55-L59 PolarHBondContact O-N 2.68Å; E56-L59 PolarHBondContact O-N 3.17Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.91Å; L59-G61 PolarHBondContact O-N 2.67Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-L63 HydrophobicContact CD2-CD1 3.4Å; L59-L63 VanDerWaalsContact CD2-CD1 3.4Å; L59-L63 HydrophobicContact CD2-CD2 4.45Å; L59-L63 HydrophobicContact CD2-CG 3.83Å; L59-L63 WeakPolarHBondContact O-CG 3.38Å; L59-L63 PolarHBondContact O-N 3.49Å; L59-E71 VanDerWaalsContact CD1-OE1 3.25Å; L59-E71 WeakPolarHBondContact CD1-OE1 3.31Å; L59-E71 HydrophobicContact CD2-CG 3.45Å; L59-E71 VanDerWaalsContact CD2-CG 3.45Å; L59-E71 WeakPolarHBondContact CD2-OE1 3.43Å
60	E	85.8	Confident	86	Confident	75 Å²	75	81.2 Å²	81.2	35%	0.35	42%	0.421	S	S	.	.	H	α-helix	trans	-54.5	-40	171.3	-73.3	177.3	-172.5	0	0	111.5	E56 L62 L63	E56-E60 HydrophobicContact CG-CG 4.37Å; E56-E60 WeakPolarHBondContact O-CB 3.37Å; E56-E60 WeakPolarHBondContact O-CG 3.42Å; E56-E60 PolarHBondContact O-N 3.43Å; E60-L62 PolarHBondContact O-N 2.9Å; E60-L63 PolarHBondContact O-N 2.82Å
61	G	87	Confident	85.6	Confident	66 Å²	66	76.8 Å²	76.8	68%	0.68	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.1	176.5	0	0	0	0	0	115.4	E57 L59	E57-G61 PolarHBondContact O-N 3.24Å; L59-G61 PolarHBondContact O-N 2.67Å
62	L	86	Confident	85.3	Confident	87 Å²	87	73.6 Å²	73.6	46%	0.455	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.8	-178.6	-64.5	179.9	0	0	0	114	Q3 L7 E58 L59 E60	Q3-L62 HydrophobicContact CB-CD1 4.2Å; L7-L62 HydrophobicContact CD1-CD1 3.66Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; L59-L62 PolarHBondContact O-N 2.92Å; E60-L62 PolarHBondContact O-N 2.9Å
63	L	85.6	Confident	85.2	Confident	21 Å²	21	78 Å²	78	11%	0.11	41%	0.407	C	S	.	.	S	Bend	trans	-95.4	153.2	-176	-73.9	-179.3	0	0	0	112.7	L4 L59 E60 Q67 V68 E71	L4-L63 HydrophobicContact CD1-CD2 3.62Å; L4-L63 HydrophobicContact CD1-CG 4.21Å; L4-L63 HydrophobicContact CD2-CD2 3.99Å; L4-L63 HydrophobicContact CG-CD2 4.46Å; L59-L63 HydrophobicContact CD2-CD1 3.4Å; L59-L63 VanDerWaalsContact CD2-CD1 3.4Å; L59-L63 HydrophobicContact CD2-CD2 4.45Å; L59-L63 HydrophobicContact CD2-CG 3.83Å; L59-L63 WeakPolarHBondContact O-CG 3.38Å; L59-L63 PolarHBondContact O-N 3.49Å; E60-L63 PolarHBondContact O-N 2.82Å; L63-Q67 HydrophobicContact CB-CB 4.11Å; L63-Q67 HydrophobicContact CD1-CB 4.3Å; L63-Q67 HydrophobicContact CD2-CB 3.84Å; L63-Q67 HydrophobicContact CG-CB 4.31Å; L63-V68 HydrophobicContact CB-CG2 3.58Å; L63-V68 HydrophobicContact CD1-CG2 4.5Å; L63-E71 HydrophobicContact CD1-CB 3.52Å; L63-E71 HydrophobicContact CD1-CG 3.69Å
64	S	84.2	Confident	85.1	Confident	60 Å²	60	79.1 Å²	79.1	42%	0.42	41%	0.411	S	S	.	.			trans	-74.3	156.3	166.7	62.8	0	0	0	0	111	K66 Q67 V68	S64-K66 PolarHBondContact O-N 2.93Å; S64-K66 VanDerWaalsContact O-N 3.07Å; S64-Q67 WeakPolarHBondContact O-CA 3.38Å; S64-Q67 PolarHBondContact O-N 3.45Å; S64-Q67 VanDerWaalsContact OG-CD 3.28Å; S64-Q67 WeakPolarHBondContact OG-CG 3.45Å; S64-Q67 PolarHBondContact OG-OE1 3.25Å; S64-V68 WeakPolarHBondContact O-CG2 3.44Å; S64-V68 PolarHBondContact O-N 3.05Å
65	E	78.8	Confident	85	Confident	184 Å²	184	78 Å²	78	86%	0.86	40%	0.4	S	S	*	.	H	α-helix	trans	-49.2	-40.3	-179.5	-72.3	-179.4	164.4	0	0	113.3	Q67	E65-Q67 VanDerWaalsContact C-N 3.31Å; E65-Q67 PolarHBondContact O-N 3.38Å
66	K	79	Confident	85.2	Confident	182 Å²	182	79.6 Å²	79.6	79%	0.791	41%	0.409	S	S	*	.	H	α-helix	trans	-69	-26.6	177.9	-68.6	-172.7	177.3	-176.7	0	114	S64	S64-K66 PolarHBondContact O-N 2.93Å; S64-K66 VanDerWaalsContact O-N 3.07Å
67	Q	83.3	Confident	85.3	Confident	90 Å²	90	84.2 Å²	84.2	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-89.3	-30	-178.9	-68.2	170.8	-46.6	0	0	111.9	L63 S64 E65 E69 Q70 E71	L63-Q67 HydrophobicContact CB-CB 4.11Å; L63-Q67 HydrophobicContact CD1-CB 4.3Å; L63-Q67 HydrophobicContact CD2-CB 3.84Å; L63-Q67 HydrophobicContact CG-CB 4.31Å; S64-Q67 WeakPolarHBondContact O-CA 3.38Å; S64-Q67 PolarHBondContact O-N 3.45Å; S64-Q67 VanDerWaalsContact OG-CD 3.28Å; S64-Q67 WeakPolarHBondContact OG-CG 3.45Å; S64-Q67 PolarHBondContact OG-OE1 3.25Å; E65-Q67 VanDerWaalsContact C-N 3.31Å; E65-Q67 PolarHBondContact O-N 3.38Å; Q67-E69 VanDerWaalsContact C-N 3.32Å; Q67-E69 PolarHBondContact O-N 2.93Å; Q67-Q70 PolarHBondContact O-N 3.41Å; Q67-E71 WeakPolarHBondContact O-CB 3.46Å; Q67-E71 PolarHBondContact O-N 2.92Å; Q67-E71 VanDerWaalsContact O-N 3.14Å
68	V	83.3	Confident	85.4	Confident	39 Å²	39	77.8 Å²	77.8	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-57.8	-45.2	177.6	172.1	0	0	0	0	110.6	L63 S64 Q70 E71 V72	L63-V68 HydrophobicContact CB-CG2 3.58Å; L63-V68 HydrophobicContact CD1-CG2 4.5Å; S64-V68 WeakPolarHBondContact O-CG2 3.44Å; S64-V68 PolarHBondContact O-N 3.05Å; V68-Q70 PolarHBondContact O-N 3.03Å; V68-E71 PolarHBondContact O-N 2.83Å; V68-E71 VanDerWaalsContact O-N 3.09Å; V68-V72 HydrophobicContact CG1-CG2 3.91Å; V68-V72 WeakPolarHBondContact O-CB 3.3Å; V68-V72 VanDerWaalsContact O-CG2 3.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.4Å; V68-V72 PolarHBondContact O-N 3.31Å
69	E	82.1	Confident	85.4	Confident	140 Å²	140	74.2 Å²	74.2	65%	0.654	39%	0.386	S	S	*	.	H	α-helix	trans	-59.7	-42.5	-178.8	-172.7	177.2	-165.9	0	0	113.1	Q67 E71 N73	Q67-E69 VanDerWaalsContact C-N 3.32Å; Q67-E69 PolarHBondContact O-N 2.93Å; E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 3.4Å; E69-N73 PolarHBondContact O-N 3.45Å; E69-N73 PolarHBondContact O-ND2 3.48Å
70	Q	82.9	Confident	85.7	Confident	141 Å²	141	77.2 Å²	77.2	66%	0.659	41%	0.407	S	S	*	.	H	α-helix	trans	-66.2	-37.8	176.5	-67.4	-179.4	-7.6	0	0	111.7	Q67 V68 N73 V74	Q67-Q70 PolarHBondContact O-N 3.41Å; V68-Q70 PolarHBondContact O-N 3.03Å; Q70-N73 PolarHBondContact O-N 3.45Å; Q70-V74 WeakPolarHBondContact O-CG2 3.36Å; Q70-V74 PolarHBondContact O-N 2.94Å
71	E	84.4	Confident	85.9	Confident	11 Å²	11	77.1 Å²	77.1	5%	0.051	41%	0.409	C	S	.	.	H	α-helix	trans	-75.8	-41.9	-175	-167	77.8	160.5	0	0	112.5	R11 E56 L59 L63 Q67 V68 E69 N73 V74 Y75	R11-E71 IonicContact CZ-OE1 3.78Å; R11-E71 IonicContact CZ-OE2 3.98Å; R11-E71 IonicContact NE-OE1 3.58Å; R11-E71 IonicContact NH1-OE1 3.84Å; R11-E71 PolarHBondContact NH1-OE1 3.36Å; R11-E71 IonicContact NH1-OE2 3.24Å; R11-E71 PolarHBondContact NH1-OE2 2.96Å; R11-E71 IonicContact NH2-OE1 2.8Å; R11-E71 PolarHBondContact NH2-OE1 3.08Å; R11-E71 IonicContact NH2-OE2 2.71Å; R11-E71 PolarHBondContact NH2-OE2 3.08Å; E56-E71 WeakPolarHBondContact OE1-CG 3.49Å; L59-E71 VanDerWaalsContact CD1-OE1 3.25Å; L59-E71 WeakPolarHBondContact CD1-OE1 3.31Å; L59-E71 HydrophobicContact CD2-CG 3.45Å; L59-E71 VanDerWaalsContact CD2-CG 3.45Å; L59-E71 WeakPolarHBondContact CD2-OE1 3.43Å; L63-E71 HydrophobicContact CD1-CB 3.52Å; L63-E71 HydrophobicContact CD1-CG 3.69Å; Q67-E71 WeakPolarHBondContact O-CB 3.46Å; Q67-E71 PolarHBondContact O-N 2.92Å; Q67-E71 VanDerWaalsContact O-N 3.14Å; V68-E71 PolarHBondContact O-N 2.83Å; V68-E71 VanDerWaalsContact O-N 3.09Å; E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 3.4Å; E71-N73 PolarHBondContact O-N 2.93Å; E71-V74 WeakPolarHBondContact O-CA 3.47Å; E71-V74 WeakPolarHBondContact O-CB 3.49Å; E71-V74 PolarHBondContact O-N 3.17Å; E71-Y75 PolarHBondContact O-N 3.35Å
72	V	84.9	Confident	86.1	Confident	46 Å²	46	74 Å²	74	28%	0.279	38%	0.377	S	S	.	.	H	α-helix	trans	-55.4	-43	171.3	169.1	0	0	0	0	110.1	V68 V74 Y75 M76	V68-V72 HydrophobicContact CG1-CG2 3.91Å; V68-V72 WeakPolarHBondContact O-CB 3.3Å; V68-V72 VanDerWaalsContact O-CG2 3.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.4Å; V68-V72 PolarHBondContact O-N 3.31Å; V72-V74 VanDerWaalsContact C-N 3.3Å; V72-V74 PolarHBondContact O-N 3.22Å; V72-Y75 PolarHBondContact O-N 3.18Å; V72-M76 HydrophobicContact CG1-CG 4.1Å; V72-M76 WeakPolarHBondContact O-CB 3.37Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.46Å
73	N	87.1	Confident	86.4	Confident	96 Å²	96	74.9 Å²	74.9	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-38.2	175.7	-78.2	-40.2	0	0	0	112.6	E69 Q70 E71 I77	E69-N73 PolarHBondContact O-N 3.45Å; E69-N73 PolarHBondContact O-ND2 3.48Å; Q70-N73 PolarHBondContact O-N 3.45Å; E71-N73 PolarHBondContact O-N 2.93Å; N73-I77 WeakPolarHBondContact O-CG1 3.38Å; N73-I77 PolarHBondContact O-N 2.89Å
74	V	86.3	Confident	86.7	Confident	59 Å²	59	76.6 Å²	76.6	36%	0.358	39%	0.391	S	S	.	.	H	α-helix	trans	-66.8	-42.1	176	175.7	0	0	0	0	111.4	Q70 E71 V72 I77	Q70-V74 WeakPolarHBondContact O-CG2 3.36Å; Q70-V74 PolarHBondContact O-N 2.94Å; E71-V74 WeakPolarHBondContact O-CA 3.47Å; E71-V74 WeakPolarHBondContact O-CB 3.49Å; E71-V74 PolarHBondContact O-N 3.17Å; V72-V74 VanDerWaalsContact C-N 3.3Å; V72-V74 PolarHBondContact O-N 3.22Å; V74-I77 PolarHBondContact O-N 3.44Å
75	Y	88.3	Confident	87	Confident	26 Å²	26	73.9 Å²	73.9	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-40.9	177	179.9	-100.6	0	0	0	112.2	A52 S53 E56 E71 V72 I77 M78 E79	A52-Y75 HydrophobicContact CB-CE2 4.25Å; S53-Y75 WeakPolarHBondContact CA-OH 3.4Å; S53-Y75 WeakPolarHBondContact CB-OH 2.83Å; S53-Y75 PolarHBondContact OG-OH 3.21Å; E56-Y75 HydrophobicContact CB-CD2 3.66Å; E56-Y75 HydrophobicContact CB-CE2 3.82Å; E56-Y75 HydrophobicContact CB-CG 4.12Å; E56-Y75 VanDerWaalsContact CD-CB 3.44Å; E56-Y75 HydrophobicContact CG-CD1 4.05Å; E56-Y75 HydrophobicContact CG-CD2 3.62Å; E56-Y75 HydrophobicContact CG-CE2 4.2Å; E56-Y75 HydrophobicContact CG-CG 3.55Å; E71-Y75 PolarHBondContact O-N 3.35Å; V72-Y75 PolarHBondContact O-N 3.18Å; Y75-I77 VanDerWaalsContact C-N 3.26Å; Y75-I77 PolarHBondContact O-N 3.13Å; Y75-M78 HydrophobicContact CD2-CE 3.62Å; Y75-M78 HydrophobicContact CE2-CE 3.49Å; Y75-M78 VanDerWaalsContact CE2-CE 3.49Å; Y75-M78 WeakPolarHBondContact O-CB 3.37Å; Y75-M78 PolarHBondContact O-N 3.24Å; Y75-E79 HydrophobicContact CD1-CG 4.14Å; Y75-E79 HydrophobicContact CE1-CG 3.47Å; Y75-E79 VanDerWaalsContact CE1-CG 3.47Å; Y75-E79 PolarHBondContact O-N 3.2Å
76	M	89.7	Confident	87.6	Confident	91 Å²	91	68.6 Å²	68.6	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-31.2	179.5	-74.1	-63.6	-77.4	0	0	113.2	V72 S80	V72-M76 HydrophobicContact CG1-CG 4.1Å; V72-M76 WeakPolarHBondContact O-CB 3.37Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.46Å; M76-S80 WeakPolarHBondContact O-CB 3.21Å; M76-S80 PolarHBondContact O-N 2.94Å
77	I	89.4	Confident	88.2	Confident	101 Å²	101	63.7 Å²	63.7	52%	0.518	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-47	171.7	-67.3	165.7	0	0	0	110.4	N73 V74 Y75 S80 D81	N73-I77 WeakPolarHBondContact O-CG1 3.38Å; N73-I77 PolarHBondContact O-N 2.89Å; V74-I77 PolarHBondContact O-N 3.44Å; Y75-I77 VanDerWaalsContact C-N 3.26Å; Y75-I77 PolarHBondContact O-N 3.13Å; I77-S80 VanDerWaalsContact O-CB 3.3Å; I77-S80 WeakPolarHBondContact O-CB 3.45Å; I77-S80 PolarHBondContact O-N 2.87Å; I77-D81 PolarHBondContact O-N 3.45Å
78	M	88.7	Confident	88.5	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-39.4	179.9	-176.5	-174	73.6	0	0	112.2	L18 A52 Y75 S80 D81 I82	L18-M78 HydrophobicContact CD2-CG 3.61Å; A52-M78 HydrophobicContact CB-CE 3.26Å; A52-M78 HydrophobicContact CB-SD 4.28Å; Y75-M78 HydrophobicContact CD2-CE 3.62Å; Y75-M78 HydrophobicContact CE2-CE 3.49Å; Y75-M78 VanDerWaalsContact CE2-CE 3.49Å; Y75-M78 WeakPolarHBondContact O-CB 3.37Å; Y75-M78 PolarHBondContact O-N 3.24Å; M78-S80 VanDerWaalsContact C-N 3.29Å; M78-S80 PolarHBondContact O-N 3.25Å; M78-D81 PolarHBondContact O-N 3.27Å; M78-I82 HydrophobicContact CG-CD1 4.33Å; M78-I82 WeakPolarHBondContact O-CG1 3.38Å; M78-I82 PolarHBondContact O-N 2.94Å
79	E	90.3	Very high	88.8	Confident	36 Å²	36	60.6 Å²	60.6	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-39.4	170.5	-101.1	-74.6	140.7	0	0	112	Y75 I82 R83	Y75-E79 HydrophobicContact CD1-CG 4.14Å; Y75-E79 HydrophobicContact CE1-CG 3.47Å; Y75-E79 VanDerWaalsContact CE1-CG 3.47Å; Y75-E79 PolarHBondContact O-N 3.2Å; E79-I82 PolarHBondContact O-N 2.91Å; E79-R83 WeakPolarHBondContact O-CG 3.44Å; E79-R83 PolarHBondContact O-N 3.42Å; E79-R83 IonicContact OE2-CZ 3.96Å; E79-R83 IonicContact OE2-NH1 3.99Å; E79-R83 PolarHBondContact OE2-NH1 3.39Å
80	S	91.9	Very high	89.1	Confident	63 Å²	63	61.8 Å²	61.8	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.4	-169	0	0	0	0	112.1	M76 I77 M78 R83 A84	M76-S80 WeakPolarHBondContact O-CB 3.21Å; M76-S80 PolarHBondContact O-N 2.94Å; I77-S80 VanDerWaalsContact O-CB 3.3Å; I77-S80 WeakPolarHBondContact O-CB 3.45Å; I77-S80 PolarHBondContact O-N 2.87Å; M78-S80 VanDerWaalsContact C-N 3.29Å; M78-S80 PolarHBondContact O-N 3.25Å; S80-R83 PolarHBondContact O-N 3.24Å; S80-A84 PolarHBondContact O-N 2.99Å
81	D	90.3	Very high	89.4	Confident	74 Å²	74	59.7 Å²	59.7	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.8	-67.4	-23.4	0	0	0	111.5	L18 I77 M78 R83 A84 L85	L18-D81 HydrophobicContact CD2-CB 4.29Å; I77-D81 PolarHBondContact O-N 3.45Å; M78-D81 PolarHBondContact O-N 3.27Å; D81-R83 PolarHBondContact O-N 2.99Å; D81-A84 WeakPolarHBondContact O-CB 3.22Å; D81-A84 PolarHBondContact O-N 3.03Å; D81-L85 WeakPolarHBondContact O-CG 3.24Å; D81-L85 PolarHBondContact O-N 3.06Å; D81-L85 VanDerWaalsContact O-N 3.08Å
82	I	92.1	Very high	89.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-43.5	177.1	-68.7	161.5	0	0	0	111	L18 V45 A49 M78 E79 A84 L85 R86	L18-I82 HydrophobicContact CD1-CG1 3.73Å; L18-I82 HydrophobicContact CD2-CD1 4.24Å; L18-I82 HydrophobicContact CD2-CG1 3.74Å; L18-I82 HydrophobicContact CG-CG1 4.41Å; V45-I82 HydrophobicContact CG1-CG2 4.12Å; A49-I82 HydrophobicContact CB-CD1 3.85Å; A49-I82 HydrophobicContact CB-CG2 4.22Å; M78-I82 HydrophobicContact CG-CD1 4.33Å; M78-I82 WeakPolarHBondContact O-CG1 3.38Å; M78-I82 PolarHBondContact O-N 2.94Å; E79-I82 PolarHBondContact O-N 2.91Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.34Å; I82-L85 PolarHBondContact O-N 3.19Å; I82-R86 WeakPolarHBondContact O-CG 3.18Å; I82-R86 PolarHBondContact O-N 3.38Å
83	R	91.6	Very high	89.7	Confident	105 Å²	105	60.9 Å²	60.9	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176.3	-75.4	-174.7	-65.5	-103.8	5.4	111.8	E79 S80 D81 L85 R86 V87	E79-R83 WeakPolarHBondContact O-CG 3.44Å; E79-R83 PolarHBondContact O-N 3.42Å; E79-R83 IonicContact OE2-CZ 3.96Å; E79-R83 IonicContact OE2-NH1 3.99Å; E79-R83 PolarHBondContact OE2-NH1 3.39Å; S80-R83 PolarHBondContact O-N 3.24Å; D81-R83 PolarHBondContact O-N 2.99Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.09Å; R83-R86 PolarHBondContact O-N 2.78Å; R83-V87 WeakPolarHBondContact O-CG2 3.26Å; R83-V87 PolarHBondContact O-N 2.93Å; R83-V87 VanDerWaalsContact O-N 3.1Å
84	A	91.4	Very high	89.5	Confident	57 Å²	57	62 Å²	62	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-43.9	177.1	0	0	0	0	0	111.9	S80 D81 I82 R86 V87 E88	S80-A84 PolarHBondContact O-N 2.99Å; D81-A84 WeakPolarHBondContact O-CB 3.22Å; D81-A84 PolarHBondContact O-N 3.03Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.34Å; A84-R86 PolarHBondContact O-N 3.35Å; A84-V87 PolarHBondContact O-N 3.47Å; A84-E88 PolarHBondContact O-N 3.45Å
85	L	90.6	Very high	89.3	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-43.9	176.2	-66.8	170.2	0	0	0	112.7	L18 T22 L25 V45 D81 I82 R83 V87 E88 A89	L18-L85 HydrophobicContact CD1-CD1 3.86Å; T22-L85 HydrophobicContact CG2-CD2 3.85Å; T22-L85 VanDerWaalsContact OG1-CD1 3.3Å; T22-L85 WeakPolarHBondContact OG1-CD1 3.32Å; L25-L85 HydrophobicContact CD2-CB 3.92Å; L25-L85 HydrophobicContact CD2-CD2 3.9Å; L25-L85 HydrophobicContact CD2-CG 4.45Å; V45-L85 HydrophobicContact CG1-CD1 4.21Å; V45-L85 HydrophobicContact CG2-CD1 4.31Å; D81-L85 WeakPolarHBondContact O-CG 3.24Å; D81-L85 PolarHBondContact O-N 3.06Å; D81-L85 VanDerWaalsContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 3.19Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.09Å; L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 PolarHBondContact O-N 3.45Å; L85-E88 PolarHBondContact O-N 3.01Å; L85-A89 PolarHBondContact O-N 3.45Å
86	R	92.7	Very high	88.7	Confident	73 Å²	73	65.9 Å²	65.9	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-36.8	177.6	-76.1	174.7	173.4	162.4	1.3	112	M42 D46 I82 R83 A84 R90	M42-R86 HydrophobicContact SD-CB 4.4Å; M42-R86 HydrophobicContact SD-CG 3.69Å; D46-R86 IonicContact OD1-CZ 2.75Å; D46-R86 IonicContact OD1-NE 3.56Å; D46-R86 PolarHBondContact OD1-NE 3.22Å; D46-R86 IonicContact OD1-NH2 3.06Å; D46-R86 PolarHBondContact OD1-NH2 3.2Å; I82-R86 WeakPolarHBondContact O-CG 3.18Å; I82-R86 PolarHBondContact O-N 3.38Å; R83-R86 PolarHBondContact O-N 2.78Å; A84-R86 PolarHBondContact O-N 3.35Å; R86-R90 WeakPolarHBondContact O-CG 3.35Å; R86-R90 PolarHBondContact O-N 3.36Å
87	V	91.7	Very high	87.8	Confident	78 Å²	78	68.6 Å²	68.6	47%	0.473	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-46	175.5	172.2	0	0	0	0	110.6	R83 A84 L85 A89 R90 Q91	R83-V87 WeakPolarHBondContact O-CG2 3.26Å; R83-V87 PolarHBondContact O-N 2.93Å; R83-V87 VanDerWaalsContact O-N 3.1Å; A84-V87 PolarHBondContact O-N 3.47Å; L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 PolarHBondContact O-N 3.45Å; V87-A89 VanDerWaalsContact C-N 3.33Å; V87-A89 PolarHBondContact O-N 3.39Å; V87-R90 PolarHBondContact O-N 3.3Å; V87-R90 VanDerWaalsContact O-N 3.17Å; V87-Q91 HydrophobicContact CG1-CG 4.45Å; V87-Q91 WeakPolarHBondContact O-CG 3.42Å; V87-Q91 PolarHBondContact O-N 3.06Å
88	E	88.6	Confident	86.8	Confident	62 Å²	62	69.7 Å²	69.7	29%	0.29	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-42	-179.8	-169.4	167.2	-168.4	0	0	112.1	K26 A84 L85 Q91 Y92	K26-E88 WeakPolarHBondContact CE-OE2 3.49Å; A84-E88 PolarHBondContact O-N 3.45Å; L85-E88 PolarHBondContact O-N 3.01Å; E88-Q91 PolarHBondContact O-N 2.95Å; E88-Y92 PolarHBondContact O-N 3.03Å
89	A	89.3	Confident	85.5	Confident	2 Å²	2	74.9 Å²	74.9	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-38.8	175	0	0	0	0	0	113.4	L25 V38 M42 L85 V87 Q91 Y92 F93	L25-A89 HydrophobicContact CD2-CB 4.44Å; V38-A89 HydrophobicContact CG1-CB 4.13Å; M42-A89 HydrophobicContact CE-CB 3.19Å; L85-A89 PolarHBondContact O-N 3.45Å; V87-A89 VanDerWaalsContact C-N 3.33Å; V87-A89 PolarHBondContact O-N 3.39Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.21Å; A89-Y92 WeakPolarHBondContact O-CB 3.39Å; A89-Y92 PolarHBondContact O-N 3.31Å; A89-F93 HydrophobicContact CB-CE2 4.38Å; A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 PolarHBondContact O-N 3.34Å
90	R	89.4	Confident	83.9	Confident	165 Å²	165	76.4 Å²	76.4	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-61.2	-43.3	174	-75.8	178.9	-146.1	-103.1	-0.6	111.5	R86 V87 Y92 F93 E94	R86-R90 WeakPolarHBondContact O-CG 3.35Å; R86-R90 PolarHBondContact O-N 3.36Å; V87-R90 PolarHBondContact O-N 3.3Å; V87-R90 VanDerWaalsContact O-N 3.17Å; R90-Y92 VanDerWaalsContact C-N 3.28Å; R90-Y92 PolarHBondContact O-N 3.4Å; R90-F93 PolarHBondContact O-N 2.75Å; R90-F93 VanDerWaalsContact O-N 3.12Å; R90-E94 PolarHBondContact O-N 3.41Å
91	Q	88.4	Confident	82.1	Confident	98 Å²	98	79 Å²	79	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-38.1	175.7	-72.2	178.7	-7.7	0	0	111.9	V87 E88 A89 E94 K95	V87-Q91 HydrophobicContact CG1-CG 4.45Å; V87-Q91 WeakPolarHBondContact O-CG 3.42Å; V87-Q91 PolarHBondContact O-N 3.06Å; E88-Q91 PolarHBondContact O-N 2.95Å; A89-Q91 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.21Å; Q91-E94 PolarHBondContact O-N 2.73Å; Q91-K95 WeakPolarHBondContact O-CB 3.48Å; Q91-K95 WeakPolarHBondContact O-CG 3.21Å; Q91-K95 PolarHBondContact O-N 3.39Å
92	Y	88.3	Confident	80.3	Confident	22 Å²	22	79.1 Å²	79.1	9%	0.086	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-47.2	171.8	168.9	-85.3	0	0	0	111.5	C29 L32 Q33 A35 V38 E88 A89 R90 E94 K95 S96	C29-Y92 HydrophobicContact CB-CD2 4.23Å; L32-Y92 HydrophobicContact CD2-CE2 4.19Å; Q33-Y92 PolarHBondContact O-OH 3.19Å; A35-Y92 HydrophobicContact CB-CE1 4.39Å; V38-Y92 HydrophobicContact CB-CD1 4.23Å; V38-Y92 HydrophobicContact CB-CE1 4.15Å; V38-Y92 HydrophobicContact CG1-CD1 3.95Å; V38-Y92 HydrophobicContact CG1-CE1 4.39Å; V38-Y92 HydrophobicContact CG2-CD1 4.06Å; V38-Y92 HydrophobicContact CG2-CE1 3.79Å; V38-Y92 HydrophobicContact CG2-CE2 4.4Å; E88-Y92 PolarHBondContact O-N 3.03Å; A89-Y92 WeakPolarHBondContact O-CB 3.39Å; A89-Y92 PolarHBondContact O-N 3.31Å; R90-Y92 VanDerWaalsContact C-N 3.28Å; R90-Y92 PolarHBondContact O-N 3.4Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 2.87Å; Y92-K95 PolarHBondContact O-N 3.04Å; Y92-S96 WeakPolarHBondContact O-CB 3.48Å; Y92-S96 PolarHBondContact O-N 2.87Å
93	F	86.7	Confident	78.3	Confident	60 Å²	60	82.9 Å²	82.9	26%	0.263	42%	0.416	S	S	.	.	H	α-helix	trans	-65.8	-34	178.6	-69	-61.4	0	0	0	113.2	A35 V38 E39 A89 R90 K97	A35-F93 HydrophobicContact CB-CE1 4.09Å; V38-F93 HydrophobicContact CB-CZ 4.12Å; V38-F93 HydrophobicContact CG1-CE2 4.12Å; V38-F93 HydrophobicContact CG1-CZ 3.9Å; E39-F93 HydrophobicContact CB-CZ 4.03Å; A89-F93 HydrophobicContact CB-CE2 4.38Å; A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 PolarHBondContact O-N 3.34Å; R90-F93 PolarHBondContact O-N 2.75Å; R90-F93 VanDerWaalsContact O-N 3.12Å; F93-K97 WeakPolarHBondContact O-CG 3.42Å; F93-K97 PolarHBondContact O-N 2.86Å; F93-K97 VanDerWaalsContact O-N 3.09Å
94	E	84.4	Confident	76.2	Confident	120 Å²	120	85.1 Å²	85.1	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-66.6	-48.9	173.2	-75.7	177	168.7	0	0	111.5	R90 Q91 Y92 S96 K97 E98	R90-E94 PolarHBondContact O-N 3.41Å; Q91-E94 PolarHBondContact O-N 2.73Å; Y92-E94 VanDerWaalsContact C-N 3.34Å; Y92-E94 PolarHBondContact O-N 2.87Å; E94-S96 VanDerWaalsContact C-N 3.31Å; E94-S96 PolarHBondContact O-N 2.85Å; E94-K97 WeakPolarHBondContact O-CB 3.3Å; E94-K97 PolarHBondContact O-N 2.99Å; E94-K97 VanDerWaalsContact O-N 3.11Å; E94-E98 WeakPolarHBondContact O-CG 3.19Å; E94-E98 PolarHBondContact O-N 2.95Å
95	K	81.9	Confident	73.8	Confident	127 Å²	127	90.4 Å²	90.4	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-60.1	-39.8	175.5	-74.7	176.6	-179.8	177.9	0	112.6	Q91 Y92 K97 E98 Q99	Q91-K95 WeakPolarHBondContact O-CB 3.48Å; Q91-K95 WeakPolarHBondContact O-CG 3.21Å; Q91-K95 PolarHBondContact O-N 3.39Å; Y92-K95 PolarHBondContact O-N 3.04Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K95-E98 PolarHBondContact O-N 3.42Å; K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-N 3.2Å
96	S	75.2	Confident	71.6	Confident	39 Å²	39	95.7 Å²	95.7	27%	0.273	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-42	175.4	-178.2	0	0	0	0	111.2	Y92 E94 T100	Y92-S96 WeakPolarHBondContact O-CB 3.48Å; Y92-S96 PolarHBondContact O-N 2.87Å; E94-S96 VanDerWaalsContact C-N 3.31Å; E94-S96 PolarHBondContact O-N 2.85Å; S96-T100 PolarHBondContact O-N 3.37Å; S96-T100 VanDerWaalsContact O-N 3.14Å; S96-T100 PolarHBondContact O-OG1 3.22Å
97	K	71.8	Confident	69.2	Low	147 Å²	147	101.1 Å²	101.1	64%	0.639	50%	0.504	S	S	*	.	H	α-helix	trans	-63.5	-43	173.5	-77.8	176.6	179.4	177.3	0	112.3	F93 E94 K95 T100 L101	F93-K97 WeakPolarHBondContact O-CG 3.42Å; F93-K97 PolarHBondContact O-N 2.86Å; F93-K97 VanDerWaalsContact O-N 3.09Å; E94-K97 WeakPolarHBondContact O-CB 3.3Å; E94-K97 PolarHBondContact O-N 2.99Å; E94-K97 VanDerWaalsContact O-N 3.11Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K97-T100 PolarHBondContact O-N 3.47Å; K97-L101 WeakPolarHBondContact O-CG 3.45Å; K97-L101 PolarHBondContact O-N 2.98Å; K97-L101 VanDerWaalsContact O-N 3.15Å
98	E	67.1	Low	66.4	Low	125 Å²	125	105.1 Å²	105.1	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-65.5	-42	178.6	-72.1	176	173.3	0	0	112.9	E94 K95 T100 L101 S102	E94-E98 WeakPolarHBondContact O-CG 3.19Å; E94-E98 PolarHBondContact O-N 2.95Å; K95-E98 PolarHBondContact O-N 3.42Å; E98-T100 VanDerWaalsContact C-N 3.26Å; E98-T100 PolarHBondContact O-N 3.2Å; E98-L101 WeakPolarHBondContact O-CB 3.36Å; E98-L101 PolarHBondContact O-N 2.92Å; E98-S102 PolarHBondContact O-N 3.19Å
99	Q	61.2	Low	63.7	Low	115 Å²	115	106.1 Å²	106.1	54%	0.537	55%	0.55	S	S	.	*	H	α-helix	trans	-63.2	-34.3	174.5	-76.1	179.7	-9.1	0	0	112.1	K95 L101 A103	K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-N 3.2Å; Q99-L101 PolarHBondContact O-N 3.1Å; Q99-A103 WeakPolarHBondContact O-CB 3.25Å; Q99-A103 PolarHBondContact O-N 3.02Å; Q99-A103 VanDerWaalsContact O-N 3.17Å
100	T	57.5	Low	61	Low	69 Å²	69	109.5 Å²	109.5	42%	0.423	59%	0.585	S	S	.	*	H	α-helix	trans	-70.9	-21.4	175	-42.7	0	0	0	0	112.5	S96 K97 E98	S96-T100 PolarHBondContact O-N 3.37Å; S96-T100 VanDerWaalsContact O-N 3.14Å; S96-T100 PolarHBondContact O-OG1 3.22Å; K97-T100 PolarHBondContact O-N 3.47Å; E98-T100 VanDerWaalsContact C-N 3.26Å; E98-T100 PolarHBondContact O-N 3.2Å
101	L	53.5	Low	58.5	Low	118 Å²	118	106.6 Å²	106.6	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-89.6	-42.1	177.1	-71.1	163.4	0	0	0	112	K97 E98 Q99 K104	K97-L101 WeakPolarHBondContact O-CG 3.45Å; K97-L101 PolarHBondContact O-N 2.98Å; K97-L101 VanDerWaalsContact O-N 3.15Å; E98-L101 WeakPolarHBondContact O-CB 3.36Å; E98-L101 PolarHBondContact O-N 2.92Å; Q99-L101 PolarHBondContact O-N 3.1Å; L101-K104 PolarHBondContact O-N 3.22Å
102	S	52.6	Low	55.8	Low	75 Å²	75	107.7 Å²	107.7	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-73.4	-31.8	-179.3	178.7	0	0	0	0	113.6	E98 K104 E105	E98-S102 PolarHBondContact O-N 3.19Å; S102-K104 PolarHBondContact O-N 3.15Å; S102-E105 PolarHBondContact O-N 3.3Å
103	A	49.6	Very low	53.8	Low	80 Å²	80	110.2 Å²	110.2	66%	0.661	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-9.2	174.4	0	0	0	0	0	113.8	Q99	Q99-A103 WeakPolarHBondContact O-CB 3.25Å; Q99-A103 PolarHBondContact O-N 3.02Å; Q99-A103 VanDerWaalsContact O-N 3.17Å
104	K	47.4	Very low	51.6	Low	152 Å²	152	112.7 Å²	112.7	66%	0.661	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-8	177.8	-68	-177.3	175.7	-177.2	0	114.5	L101 S102	L101-K104 PolarHBondContact O-N 3.22Å; S102-K104 PolarHBondContact O-N 3.15Å
105	E	42.5	Very low	49.6	Very low	167 Å²	167	113.4 Å²	113.4	78%	0.78	67%	0.673	S	S	*	*	S	Bend	trans	-102.6	-4.1	-173.6	-69.3	-171.3	152.2	0	0	115.4	S102	S102-E105 PolarHBondContact O-N 3.3Å
106	V	44.2	Very low	48.1	Very low	116 Å²	116	114.5 Å²	114.5	70%	0.703	68%	0.684	S	S	*	*	S	Bend	trans	-105.7	-1.3	-168.9	-175.4	0	0	0	0	115.4
107	H	41.8	Very low	46.9	Very low	187 Å²	187	121 Å²	121	87%	0.866	72%	0.715	S	S	*	*			trans	-118.3	73.1	176.3	-78.8	-46.7	0	0	0	112.7
108	N	33.3	Very low	46.2	Very low	161 Å²	161	122.8 Å²	122.8	86%	0.861	72%	0.723	S	S	*	*			trans	-115.4	91.1	166	-116.7	-5	0	0	0	109.5
109	G	32.7	Very low	46.1	Very low	84 Å²	84	124.2 Å²	124.2	87%	0.866	72%	0.723	S	S	*	*	S	Bend	trans	-177	63.2	-179.4	0	0	0	0	0	111.7
110	G	31.4	Very low	46.8	Very low	72 Å²	72	121.5 Å²	121.5	74%	0.742	73%	0.726	S	S	*	*	S	Bend	trans	146.6	105.2	173	0	0	0	0	0	113.1
111	A	36.5	Very low	48	Very low	104 Å²	104	120.1 Å²	120.1	86%	0.86	72%	0.716	S	S	*	*			trans	40.8	92.1	166	0	0	0	0	0	116.9	A113	A111-A113 PolarHBondContact O-N 3.12Å
112	C	33.3	Very low	49.7	Very low	121 Å²	121	115.5 Å²	115.5	82%	0.818	69%	0.693	S	S	*	*			trans	-67	96.1	-176.7	-161.6	0	0	0	0	112.8
113	A	44.7	Very low	51.6	Low	75 Å²	75	117 Å²	117	62%	0.62	69%	0.69	S	S	*	*			trans	-78.9	138.8	160.2	0	0	0	0	0	109.1	A111 V115	A111-A113 PolarHBondContact O-N 3.12Å; A113-V115 PolarHBondContact O-N 2.87Å
114	P	41.8	Very low	53.7	Low	112 Å²	112	113.1 Å²	113.1	73%	0.727	66%	0.658	S	S	*	*			trans	-64.7	122.7	-177.2	27.9	-34	0	0	0	109.8	L116	P114-L116 PolarHBondContact O-N 2.88Å
115	V	42.6	Very low	55.8	Low	136 Å²	136	109.2 Å²	109.2	82%	0.824	64%	0.644	S	S	*	*			trans	-68.2	98.4	171.7	179.2	0	0	0	0	108.1	A113	A113-V115 PolarHBondContact O-N 2.87Å
116	L	49.4	Very low	58.1	Low	150 Å²	150	102 Å²	102	79%	0.785	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-66.4	142.1	171.5	-69.5	168.8	0	0	0	109.9	P114 K118	P114-L116 PolarHBondContact O-N 2.88Å; L116-K118 PolarHBondContact O-N 2.83Å
117	L	50.4	Low	60.4	Low	174 Å²	174	99.9 Å²	99.9	91%	0.911	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-50.3	138.5	169.4	-93.8	122.4	0	0	0	109.9	W119	L117-W119 PolarHBondContact O-N 3.49Å
118	K	56.3	Low	62.9	Low	186 Å²	186	92 Å²	92	81%	0.809	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-50.2	118.6	178.1	-75.5	-175.7	177.2	-178.1	0	109.2	L116 G120	L116-K118 PolarHBondContact O-N 2.83Å; K118-G120 PolarHBondContact O-N 2.89Å
119	W	66.3	Low	65.7	Low	154 Å²	154	85.6 Å²	85.6	58%	0.583	53%	0.53	S	S	*	.			trans	-59.6	109.5	179.5	-175.7	-0.1	0	0	0	109.6	L117 A140	L117-W119 PolarHBondContact O-N 3.49Å; W119-A140 HydrophobicContact CH2-CB 4.19Å
120	G	75.7	Confident	68.5	Low	58 Å²	58	85.4 Å²	85.4	60%	0.598	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-76.4	124.2	171.5	0	0	0	0	0	109.9	K118	K118-G120 PolarHBondContact O-N 2.89Å
121	L	83.3	Confident	71.5	Confident	41 Å²	41	82.5 Å²	82.5	22%	0.215	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-68	140.5	176.1	-63.7	173.6	0	0	0	110.6	V142 Y156 C160	L121-V142 HydrophobicContact CD1-CG2 3.84Å; L121-V142 HydrophobicContact CD2-CG2 3.6Å; L121-V142 HydrophobicContact CG-CG2 4.4Å; L121-Y156 HydrophobicContact CD1-CD1 3.71Å; L121-Y156 HydrophobicContact CD1-CG 4.13Å; L121-C160 WeakPolarHBondContact CB-SG 3.45Å
122	P	88.4	Confident	74.1	Confident	20 Å²	20	79.6 Å²	79.6	13%	0.13	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-66.2	154.5	-177.9	31.1	-39.9	0	0	0	111.9	F134 Q137 C160	P122-F134 HydrophobicContact CB-CD2 3.94Å; P122-F134 HydrophobicContact CG-CD2 3.63Å; P122-F134 HydrophobicContact CG-CE2 4.26Å; P122-F134 HydrophobicContact CG-CG 4.45Å; P122-F134 WeakPolarHBondContact O-CE2 3.23Å; P122-Q137 HydrophobicContact CG-CB 3.74Å; P122-C160 VanDerWaalsContact O-CB 3.29Å; P122-C160 WeakPolarHBondContact O-CB 3.36Å
123	K	92.4	Very high	76.9	Confident	106 Å²	106	76.2 Å²	76.2	46%	0.461	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-101.3	144	175.1	-59.1	-59.7	-167.1	-172.6	0	111.7	T159 C160 E162	K123-T159 PolarHBondContact NZ-O 3.42Å; K123-C160 CarbonylContact C-O 3.53Å; K123-C160 VanDerWaalsContact CA-O 3.29Å; K123-C160 WeakPolarHBondContact CA-O 3.43Å; K123-E162 WeakPolarHBondContact CG-OE1 3.16Å
124	L	93.7	Very high	79.2	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-126.1	117.3	172.8	-178.8	70.1	0	0	0	110.2	L130 F131 F134 C160 L161 E162 A165 R186	L124-L130 HydrophobicContact CD1-CB 4.32Å; L124-F131 HydrophobicContact CD2-CD2 4.05Å; L124-F134 HydrophobicContact CB-CD1 3.88Å; L124-F134 HydrophobicContact CB-CD2 3.77Å; L124-F134 HydrophobicContact CB-CE1 3.9Å; L124-F134 HydrophobicContact CB-CE2 3.84Å; L124-F134 HydrophobicContact CB-CG 3.8Å; L124-F134 HydrophobicContact CB-CZ 3.9Å; L124-F134 HydrophobicContact CD1-CB 4.49Å; L124-F134 HydrophobicContact CD1-CD1 4.39Å; L124-F134 HydrophobicContact CD1-CG 4.46Å; L124-F134 HydrophobicContact CD2-CD1 3.69Å; L124-F134 HydrophobicContact CD2-CE1 3.59Å; L124-F134 HydrophobicContact CD2-CG 4.42Å; L124-F134 HydrophobicContact CD2-CZ 4.3Å; L124-F134 HydrophobicContact CG-CD1 4.19Å; L124-F134 HydrophobicContact CG-CE1 4.32Å; L124-F134 HydrophobicContact CG-CG 4.44Å; L124-C160 PolarHBondContact N-O 2.88Å; L124-L161 HydrophobicContact CB-CD2 4.16Å; L124-L161 HydrophobicContact CD2-CD2 4.16Å; L124-E162 PolarHBondContact O-N 2.81Å; L124-A165 HydrophobicContact CD2-CB 4.12Å; L124-A165 HydrophobicContact CG-CB 4.04Å; L124-A165 WeakPolarHBondContact O-CB 3.48Å; L124-R186 HydrophobicContact CD2-CG 4.31Å
125	N	92.1	Very high	81.7	Confident	69 Å²	69	68.1 Å²	68.1	37%	0.369	37%	0.368	S	S	.	.			trans	-94.8	-6.1	179.5	64.5	0.6	0	0	0	114.4	D127 E162 I164	N125-D127 WeakPolarHBondContact OD1-CB 3.1Å; N125-D127 PolarHBondContact OD1-N 2.92Å; N125-E162 CarbonylContact C-O 3.4Å; N125-E162 WeakPolarHBondContact CA-O 3.15Å; N125-E162 HydrophobicContact CB-CB 4.2Å; N125-I164 PolarHBondContact O-N 3.42Å
126	G	90.1	Very high	84.1	Confident	17 Å²	17	66.3 Å²	66.3	18%	0.175	35%	0.353	C	S	.	.	S	Bend	trans	110.7	-0.4	-175.1	0	0	0	0	0	114.5	V128 F190	G126-V128 PolarHBondContact O-N 3.2Å; G126-F190 WeakPolarHBondContact O-CD1 3.25Å
127	D	92.6	Very high	86.1	Confident	71 Å²	71	63.1 Å²	63.1	38%	0.38	33%	0.334	S	S	.	.			trans	-67.6	121.2	168.1	-169.8	-5	0	0	0	110.7	N125 L129 L130	N125-D127 WeakPolarHBondContact OD1-CB 3.1Å; N125-D127 PolarHBondContact OD1-N 2.92Å; D127-L129 VanDerWaalsContact C-N 3.27Å; D127-L129 PolarHBondContact O-N 2.97Å; D127-L129 PolarHBondContact OD1-N 3.11Å; D127-L130 HydrophobicContact CB-CB 4.44Å; D127-L130 HydrophobicContact CB-CD1 4.07Å; D127-L130 HydrophobicContact CB-CG 4.11Å; D127-L130 PolarHBondContact O-N 2.82Å
128	V	93	Very high	88.1	Confident	21 Å²	21	54.8 Å²	54.8	13%	0.127	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-67.3	-29.7	-178.7	174.2	0	0	0	0	111.2	G126 L130 F131 L195 I196	G126-V128 PolarHBondContact O-N 3.2Å; V128-L130 VanDerWaalsContact C-N 3.28Å; V128-L130 PolarHBondContact O-N 3.34Å; V128-F131 WeakPolarHBondContact O-CB 3.45Å; V128-F131 PolarHBondContact O-N 2.93Å; V128-L195 HydrophobicContact CG1-CD2 4.12Å; V128-L195 HydrophobicContact CG1-CG 4.12Å; V128-L195 HydrophobicContact CG2-CD2 4.06Å; V128-I196 HydrophobicContact CG1-CB 4.19Å; V128-I196 HydrophobicContact CG1-CD1 4.43Å; V128-I196 HydrophobicContact CG1-CG1 3.3Å
129	L	92.7	Very high	89.9	Confident	26 Å²	26	48.8 Å²	48.8	14%	0.136	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-70.6	-23.6	178.4	-67.1	-176.6	0	0	0	113.3	D127 K199 E203	D127-L129 VanDerWaalsContact C-N 3.27Å; D127-L129 PolarHBondContact O-N 2.97Å; D127-L129 PolarHBondContact OD1-N 3.11Å; L129-K199 HydrophobicContact CD2-CB 3.46Å; L129-K199 VanDerWaalsContact CD2-CB 3.46Å; L129-K199 HydrophobicContact CD2-CG 4.5Å; L129-K199 HydrophobicContact CG-CB 4.15Å; L129-E203 HydrophobicContact CD1-CG 4.39Å; L129-E203 WeakPolarHBondContact CD1-OE1 3.35Å
130	L	92.4	Very high	91	Very high	80 Å²	80	44.6 Å²	44.6	42%	0.419	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-87.6	-11.5	176.4	-62.2	179.9	0	0	0	112.6	L124 D127 V128 T132 F134	L124-L130 HydrophobicContact CD1-CB 4.32Å; D127-L130 HydrophobicContact CB-CB 4.44Å; D127-L130 HydrophobicContact CB-CD1 4.07Å; D127-L130 HydrophobicContact CB-CG 4.11Å; D127-L130 PolarHBondContact O-N 2.82Å; V128-L130 VanDerWaalsContact C-N 3.28Å; V128-L130 PolarHBondContact O-N 3.34Å; L130-T132 PolarHBondContact O-N 3.49Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.29Å; L130-F134 PolarHBondContact O-N 2.92Å
131	F	93.7	Very high	91.6	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-45.4	-169.5	179.2	-89.4	0	0	0	113.1	L124 V128 F134 W135 R186 K187 F190 I196	L124-F131 HydrophobicContact CD2-CD2 4.05Å; V128-F131 WeakPolarHBondContact O-CB 3.45Å; V128-F131 PolarHBondContact O-N 2.93Å; F131-F134 PolarHBondContact O-N 3.28Å; F131-W135 HydrophobicContact CD1-CB 4.46Å; F131-W135 HydrophobicContact CE1-CB 3.96Å; F131-W135 HydrophobicContact CE1-CG 4.31Å; F131-W135 HydrophobicContact CZ-CB 4.09Å; F131-W135 HydrophobicContact CZ-CG 4.29Å; F131-W135 VanDerWaalsContact O-CB 3.31Å; F131-W135 WeakPolarHBondContact O-CB 2.91Å; F131-W135 PolarHBondContact O-N 3.4Å; F131-R186 HydrophobicContact CE2-CG 4Å; F131-K187 HydrophobicContact CZ-CG 4.12Å; F131-F190 HydrophobicContact CD2-CB 3.51Å; F131-F190 HydrophobicContact CE2-CB 4.07Å; F131-F190 HydrophobicContact CG-CB 4.19Å; F131-I196 HydrophobicContact CD1-CD1 4.32Å
132	T	91.7	Very high	92.1	Very high	43 Å²	43	41.2 Å²	41.2	26%	0.264	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-56.4	-178.5	48.1	0	0	0	0	110.5	L130 F134 W135 D136 I196 L235	L130-T132 PolarHBondContact O-N 3.49Å; T132-F134 PolarHBondContact O-N 2.85Å; T132-W135 PolarHBondContact O-N 3.48Å; T132-W135 VanDerWaalsContact O-N 3.08Å; T132-D136 PolarHBondContact O-N 3.45Å; T132-I196 HydrophobicContact CG2-CD1 4.06Å; T132-L235 HydrophobicContact CG2-CD2 4.16Å
133	A	90.7	Very high	92.3	Very high	50 Å²	50	42.7 Å²	42.7	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-57.8	-36.5	179	0	0	0	0	0	113.2	Q137	A133-Q137 WeakPolarHBondContact O-CG 3.44Å; A133-Q137 PolarHBondContact O-NE2 3.46Å; A133-Q137 VanDerWaalsContact O-NE2 3.1Å
134	F	94.2	Very high	92.3	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-48.4	174.4	160.8	-99.4	0	0	0	112.2	P122 L124 L130 F131 T132 F138 L157 C160 L161	P122-F134 HydrophobicContact CB-CD2 3.94Å; P122-F134 HydrophobicContact CG-CD2 3.63Å; P122-F134 HydrophobicContact CG-CE2 4.26Å; P122-F134 HydrophobicContact CG-CG 4.45Å; P122-F134 WeakPolarHBondContact O-CE2 3.23Å; L124-F134 HydrophobicContact CB-CD1 3.88Å; L124-F134 HydrophobicContact CB-CD2 3.77Å; L124-F134 HydrophobicContact CB-CE1 3.9Å; L124-F134 HydrophobicContact CB-CE2 3.84Å; L124-F134 HydrophobicContact CB-CG 3.8Å; L124-F134 HydrophobicContact CB-CZ 3.9Å; L124-F134 HydrophobicContact CD1-CB 4.49Å; L124-F134 HydrophobicContact CD1-CD1 4.39Å; L124-F134 HydrophobicContact CD1-CG 4.46Å; L124-F134 HydrophobicContact CD2-CD1 3.69Å; L124-F134 HydrophobicContact CD2-CE1 3.59Å; L124-F134 HydrophobicContact CD2-CG 4.42Å; L124-F134 HydrophobicContact CD2-CZ 4.3Å; L124-F134 HydrophobicContact CG-CD1 4.19Å; L124-F134 HydrophobicContact CG-CE1 4.32Å; L124-F134 HydrophobicContact CG-CG 4.44Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.29Å; L130-F134 PolarHBondContact O-N 2.92Å; F131-F134 PolarHBondContact O-N 3.28Å; T132-F134 PolarHBondContact O-N 2.85Å; F134-F138 VanDerWaalsContact O-CB 3.31Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 PolarHBondContact O-N 3.01Å; F134-L157 HydrophobicContact CZ-CD1 4.19Å; F134-C160 HydrophobicContact CE2-CB 3.87Å; F134-C160 HydrophobicContact CZ-CB 4.41Å; F134-L161 HydrophobicContact CE1-CD2 4.38Å; F134-L161 HydrophobicContact CZ-CD2 3.88Å
135	W	94.4	Very high	92.1	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-42.9	-176.8	-179.8	-101.2	0	0	0	111.1	F131 T132 Q137 F138 E139 H143 V183 K187	F131-W135 HydrophobicContact CD1-CB 4.46Å; F131-W135 HydrophobicContact CE1-CB 3.96Å; F131-W135 HydrophobicContact CE1-CG 4.31Å; F131-W135 HydrophobicContact CZ-CB 4.09Å; F131-W135 HydrophobicContact CZ-CG 4.29Å; F131-W135 VanDerWaalsContact O-CB 3.31Å; F131-W135 WeakPolarHBondContact O-CB 2.91Å; F131-W135 PolarHBondContact O-N 3.4Å; T132-W135 PolarHBondContact O-N 3.48Å; T132-W135 VanDerWaalsContact O-N 3.08Å; W135-Q137 VanDerWaalsContact C-N 3.32Å; W135-Q137 PolarHBondContact O-N 3.15Å; W135-F138 HydrophobicContact CE3-CD1 4.24Å; W135-F138 AromaticContact CZ3-CD1 3.79Å; W135-F138 HydrophobicContact CZ3-CD1 3.79Å; W135-F138 HydrophobicContact CZ3-CE1 4.28Å; W135-F138 PolarHBondContact O-N 3.44Å; W135-E139 HydrophobicContact CZ2-CB 4.45Å; W135-E139 VanDerWaalsContact NE1-CD 3.3Å; W135-E139 PolarHBondContact NE1-OE1 3.16Å; W135-E139 PolarHBondContact NE1-OE2 3.46Å; W135-E139 WeakPolarHBondContact O-CA 3.48Å; W135-E139 WeakPolarHBondContact O-CB 3.31Å; W135-E139 PolarHBondContact O-N 3.3Å; W135-H143 HydrophobicContact CH2-CB 4.34Å; W135-H143 AromaticContact CH2-CD2 3.78Å; W135-H143 AromaticContact CH2-CG 3.81Å; W135-H143 AromaticContact CH2-NE2 3.95Å; W135-H143 AromaticContact CZ2-CD2 3.65Å; W135-H143 AromaticContact CZ2-NE2 3.92Å; W135-V183 HydrophobicContact CH2-CG1 3.56Å; W135-V183 HydrophobicContact CH2-CG2 4.45Å; W135-V183 HydrophobicContact CZ2-CG1 4.3Å; W135-V183 HydrophobicContact CZ3-CG1 4.15Å; W135-K187 VanDerWaalsContact CZ2-NZ 3.29Å
136	D	91.7	Very high	91.9	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-44.1	179.6	-62.3	-15.9	0	0	0	111.5	T132 A140	T132-D136 PolarHBondContact O-N 3.45Å; D136-A140 WeakPolarHBondContact O-CB 3.4Å; D136-A140 PolarHBondContact O-N 2.94Å
137	Q	91.6	Very high	91.8	Very high	83 Å²	83	51.6 Å²	51.6	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-43.8	176.8	-78.2	178.8	64.4	0	0	112.7	P122 A133 W135 E139 G141	P122-Q137 HydrophobicContact CG-CB 3.74Å; A133-Q137 WeakPolarHBondContact O-CG 3.44Å; A133-Q137 PolarHBondContact O-NE2 3.46Å; A133-Q137 VanDerWaalsContact O-NE2 3.1Å; W135-Q137 VanDerWaalsContact C-N 3.32Å; W135-Q137 PolarHBondContact O-N 3.15Å; Q137-E139 VanDerWaalsContact C-N 3.29Å; Q137-E139 PolarHBondContact O-N 2.92Å; Q137-G141 PolarHBondContact O-N 2.6Å
138	F	93.4	Very high	91.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-35.3	177.2	-175.3	-89.4	0	0	0	111.5	F134 W135 V142 H143 L157	F134-F138 VanDerWaalsContact O-CB 3.31Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 PolarHBondContact O-N 3.01Å; W135-F138 HydrophobicContact CE3-CD1 4.24Å; W135-F138 AromaticContact CZ3-CD1 3.79Å; W135-F138 HydrophobicContact CZ3-CD1 3.79Å; W135-F138 HydrophobicContact CZ3-CE1 4.28Å; W135-F138 PolarHBondContact O-N 3.44Å; F138-V142 HydrophobicContact CD2-CB 4.32Å; F138-V142 HydrophobicContact CD2-CG2 4.34Å; F138-V142 HydrophobicContact CE1-CB 4.24Å; F138-V142 HydrophobicContact CE1-CG1 4.29Å; F138-V142 HydrophobicContact CE2-CB 3.96Å; F138-V142 HydrophobicContact CE2-CG1 4.04Å; F138-V142 HydrophobicContact CE2-CG2 4.11Å; F138-V142 HydrophobicContact CZ-CB 3.9Å; F138-V142 HydrophobicContact CZ-CG1 3.7Å; F138-V142 WeakPolarHBondContact O-CA 3.23Å; F138-V142 WeakPolarHBondContact O-CB 3.41Å; F138-V142 PolarHBondContact O-N 3.1Å; F138-H143 HydrophobicContact CD1-CB 4.35Å; F138-H143 HydrophobicContact CE1-CB 4.35Å; F138-H143 PolarHBondContact O-N 2.87Å; F138-L157 HydrophobicContact CE1-CB 4.45Å; F138-L157 HydrophobicContact CE1-CD1 4.25Å; F138-L157 HydrophobicContact CE2-CB 4.07Å; F138-L157 HydrophobicContact CE2-CD1 4.17Å; F138-L157 HydrophobicContact CZ-CB 3.65Å; F138-L157 HydrophobicContact CZ-CD1 4Å; F138-L157 HydrophobicContact CZ-CG 4.36Å
139	E	94	Very high	91.4	Very high	59 Å²	59	51.8 Å²	51.8	28%	0.276	32%	0.315	S	S	.	.	I	π-helix	trans	-67	-49.5	179.1	-177	157.2	-126.6	0	0	110.7	W135 Q137 H143 S144	W135-E139 HydrophobicContact CZ2-CB 4.45Å; W135-E139 VanDerWaalsContact NE1-CD 3.3Å; W135-E139 PolarHBondContact NE1-OE1 3.16Å; W135-E139 PolarHBondContact NE1-OE2 3.46Å; W135-E139 WeakPolarHBondContact O-CA 3.48Å; W135-E139 WeakPolarHBondContact O-CB 3.31Å; W135-E139 PolarHBondContact O-N 3.3Å; Q137-E139 VanDerWaalsContact C-N 3.29Å; Q137-E139 PolarHBondContact O-N 2.92Å; E139-H143 HydrophobicContact CB-CB 4.27Å; E139-H143 HydrophobicContact CG-CB 4.23Å; E139-H143 PolarHBondContact O-N 2.97Å; E139-H143 IonicContact OE1-CD2 2.9Å; E139-S144 WeakPolarHBondContact CG-OG 3.28Å; E139-S144 VanDerWaalsContact O-CB 3.28Å; E139-S144 WeakPolarHBondContact O-CB 3.38Å; E139-S144 PolarHBondContact O-N 2.87Å; E139-S144 PolarHBondContact O-OG 2.87Å
140	A	90	Very high	91.4	Very high	67 Å²	67	54 Å²	54	55%	0.554	33%	0.327	S	S	*	.	I	π-helix	trans	-64.5	-39.2	176.5	0	0	0	0	0	113.4	W119 D136	W119-A140 HydrophobicContact CH2-CB 4.19Å; D136-A140 WeakPolarHBondContact O-CB 3.4Å; D136-A140 PolarHBondContact O-N 2.94Å
141	G	88.3	Confident	91.4	Very high	21 Å²	21	52.8 Å²	52.8	22%	0.216	32%	0.323	C	S	.	.	I	π-helix	trans	-87.4	-28.7	-174.5	0	0	0	0	0	115.2	Q137 T145	Q137-G141 PolarHBondContact O-N 2.6Å; G141-T145 PolarHBondContact O-OG1 3.22Å
142	V	92.1	Very high	91.2	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.036	34%	0.34	C	S	.	.	I	π-helix	trans	-135.8	-49.8	-169.3	-176.7	0	0	0	0	113.1	L121 F138 T145 K153 Y156	L121-V142 HydrophobicContact CD1-CG2 3.84Å; L121-V142 HydrophobicContact CD2-CG2 3.6Å; L121-V142 HydrophobicContact CG-CG2 4.4Å; F138-V142 HydrophobicContact CD2-CB 4.32Å; F138-V142 HydrophobicContact CD2-CG2 4.34Å; F138-V142 HydrophobicContact CE1-CB 4.24Å; F138-V142 HydrophobicContact CE1-CG1 4.29Å; F138-V142 HydrophobicContact CE2-CB 3.96Å; F138-V142 HydrophobicContact CE2-CG1 4.04Å; F138-V142 HydrophobicContact CE2-CG2 4.11Å; F138-V142 HydrophobicContact CZ-CB 3.9Å; F138-V142 HydrophobicContact CZ-CG1 3.7Å; F138-V142 WeakPolarHBondContact O-CA 3.23Å; F138-V142 WeakPolarHBondContact O-CB 3.41Å; F138-V142 PolarHBondContact O-N 3.1Å; V142-T145 WeakPolarHBondContact CA-OG1 3.36Å; V142-T145 PolarHBondContact N-OG1 3.03Å; V142-T145 PolarHBondContact O-OG1 3.15Å; V142-K153 HydrophobicContact CG1-CB 4.07Å; V142-K153 HydrophobicContact CG1-CG 3.95Å; V142-K153 WeakPolarHBondContact O-CE 3.38Å; V142-Y156 HydrophobicContact CG1-CD2 4.13Å; V142-Y156 HydrophobicContact CG1-CG 4.38Å
143	H	94	Very high	91.4	Very high	51 Å²	51	55.1 Å²	55.1	24%	0.236	33%	0.332	C	S	.	.	I	π-helix	trans	-65.1	-45.8	-171.7	-169.3	53.2	0	0	0	112.1	W135 F138 E139 K153 Y179	W135-H143 HydrophobicContact CH2-CB 4.34Å; W135-H143 AromaticContact CH2-CD2 3.78Å; W135-H143 AromaticContact CH2-CG 3.81Å; W135-H143 AromaticContact CH2-NE2 3.95Å; W135-H143 AromaticContact CZ2-CD2 3.65Å; W135-H143 AromaticContact CZ2-NE2 3.92Å; F138-H143 HydrophobicContact CD1-CB 4.35Å; F138-H143 HydrophobicContact CE1-CB 4.35Å; F138-H143 PolarHBondContact O-N 2.87Å; E139-H143 HydrophobicContact CB-CB 4.27Å; E139-H143 HydrophobicContact CG-CB 4.23Å; E139-H143 PolarHBondContact O-N 2.97Å; E139-H143 IonicContact OE1-CD2 2.9Å; H143-K153 WeakPolarHBondContact O-CE 3.42Å; H143-K153 PolarHBondContact O-NZ 3.15Å; H143-Y179 AromaticContact CE1-CE1 3.95Å; H143-Y179 AromaticContact ND1-CE1 3.63Å; H143-Y179 AromaticContact ND1-CZ 3.58Å; H143-Y179 PolarHBondContact ND1-OH 3.26Å
144	S	92.1	Very high	91.6	Very high	82 Å²	82	52.7 Å²	52.7	57%	0.573	31%	0.312	S	S	*	.	S	Bend	trans	-85.5	-8.9	-175.2	-60.5	0	0	0	0	113.4	E139 S146	E139-S144 WeakPolarHBondContact CG-OG 3.28Å; E139-S144 VanDerWaalsContact O-CB 3.28Å; E139-S144 WeakPolarHBondContact O-CB 3.38Å; E139-S144 PolarHBondContact O-N 2.87Å; E139-S144 PolarHBondContact O-OG 2.87Å; S144-S146 PolarHBondContact O-N 2.91Å
145	T	90.1	Very high	91.5	Very high	42 Å²	42	55.3 Å²	55.3	26%	0.258	33%	0.328	S	S	.	.			trans	-73.6	121	179.2	-25.1	0	0	0	0	110	G141 V142 D147 V148 K153	G141-T145 PolarHBondContact O-OG1 3.22Å; V142-T145 WeakPolarHBondContact CA-OG1 3.36Å; V142-T145 PolarHBondContact N-OG1 3.03Å; V142-T145 PolarHBondContact O-OG1 3.15Å; T145-D147 WeakPolarHBondContact CG2-OD1 3.49Å; T145-V148 HydrophobicContact CG2-CG2 4.42Å; T145-K153 WeakPolarHBondContact O-CE 3.48Å; T145-K153 PolarHBondContact O-NZ 3.48Å
146	S	87.1	Confident	91.4	Very high	123 Å²	123	59.3 Å²	59.3	86%	0.86	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.4	-171.8	54.3	0	0	0	0	114.4	S144	S144-S146 PolarHBondContact O-N 2.91Å
147	D	87.3	Confident	91.5	Very high	132 Å²	132	54.7 Å²	54.7	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-13.1	178.9	63	-20.3	0	0	0	113.5	T145	T145-D147 WeakPolarHBondContact CG2-OD1 3.49Å
148	V	86.9	Confident	91.5	Very high	31 Å²	31	52.6 Å²	52.6	19%	0.188	31%	0.309	C	S	.	.	S	Bend	trans	-91.8	123.3	176.5	-171.4	0	0	0	0	109.6	T145 M152 K153 Y156	T145-V148 HydrophobicContact CG2-CG2 4.42Å; V148-M152 HydrophobicContact CG1-CB 3.56Å; V148-K153 HydrophobicContact CB-CG 4.04Å; V148-K153 HydrophobicContact CG1-CG 3.62Å; V148-K153 WeakPolarHBondContact O-CE 3.48Å; V148-Y156 HydrophobicContact CG1-CD2 4.37Å; V148-Y156 HydrophobicContact CG1-CE2 4.36Å
149	S	91.1	Very high	91.4	Very high	65 Å²	65	56.2 Å²	56.2	46%	0.455	33%	0.331	S	S	.	.			trans	-68.3	153.3	175.2	71	0	0	0	0	111.9	V151 M152 K153	S149-V151 PolarHBondContact O-N 3.25Å; S149-V151 VanDerWaalsContact O-N 3.15Å; S149-M152 WeakPolarHBondContact O-CA 3.45Å; S149-M152 WeakPolarHBondContact O-CB 3.34Å; S149-M152 PolarHBondContact O-N 3.48Å; S149-M152 WeakPolarHBondContact OG-CG 3.38Å; S149-M152 PolarHBondContact OG-N 3.27Å; S149-K153 WeakPolarHBondContact O-CG 3.46Å; S149-K153 PolarHBondContact O-N 2.91Å
150	D	93	Very high	91.4	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-57.9	-31.9	180	-75.3	-11.9	0	0	0	113.5	K153 F154 A176 Y179	D150-K153 PolarHBondContact O-N 2.93Å; D150-F154 WeakPolarHBondContact O-CB 3.11Å; D150-F154 PolarHBondContact O-N 2.87Å; D150-A176 HydrophobicContact CB-CB 4.06Å; D150-Y179 HydrophobicContact CB-CD1 4.12Å; D150-Y179 HydrophobicContact CB-CG 4.35Å
151	V	92	Very high	91.5	Very high	55 Å²	55	50.7 Å²	50.7	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-49.1	172.6	-175	0	0	0	0	110.2	S149 F154 V155 V174 A176	S149-V151 PolarHBondContact O-N 3.25Å; S149-V151 VanDerWaalsContact O-N 3.15Å; V151-F154 WeakPolarHBondContact O-CB 3.28Å; V151-F154 PolarHBondContact O-N 2.81Å; V151-F154 VanDerWaalsContact O-N 3.11Å; V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3.21Å; V151-V174 HydrophobicContact CG1-CG1 4.3Å; V151-A176 HydrophobicContact CG2-CB 3.74Å
152	M	90.7	Very high	91.7	Very high	82 Å²	82	54 Å²	54	40%	0.404	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-40.4	179.6	-72.6	-59.3	-66.4	0	0	111.5	V148 S149 F154 V155 Y156	V148-M152 HydrophobicContact CG1-CB 3.56Å; S149-M152 WeakPolarHBondContact O-CA 3.45Å; S149-M152 WeakPolarHBondContact O-CB 3.34Å; S149-M152 PolarHBondContact O-N 3.48Å; S149-M152 WeakPolarHBondContact OG-CG 3.38Å; S149-M152 PolarHBondContact OG-N 3.27Å; M152-F154 PolarHBondContact O-N 3.25Å; M152-V155 PolarHBondContact O-N 2.9Å; M152-V155 VanDerWaalsContact O-N 3.16Å; M152-Y156 HydrophobicContact CE-CE2 4.09Å; M152-Y156 WeakPolarHBondContact O-CD2 3.29Å; M152-Y156 PolarHBondContact O-N 3.21Å
153	K	94.4	Very high	91.7	Very high	21 Å²	21	57.6 Å²	57.6	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-37.4	171.5	-65	-177.9	178.3	172.5	0	111.1	V142 H143 T145 V148 S149 D150 L157 Y179	V142-K153 HydrophobicContact CG1-CB 4.07Å; V142-K153 HydrophobicContact CG1-CG 3.95Å; V142-K153 WeakPolarHBondContact O-CE 3.38Å; H143-K153 WeakPolarHBondContact O-CE 3.42Å; H143-K153 PolarHBondContact O-NZ 3.15Å; T145-K153 WeakPolarHBondContact O-CE 3.48Å; T145-K153 PolarHBondContact O-NZ 3.48Å; V148-K153 HydrophobicContact CB-CG 4.04Å; V148-K153 HydrophobicContact CG1-CG 3.62Å; V148-K153 WeakPolarHBondContact O-CE 3.48Å; S149-K153 WeakPolarHBondContact O-CG 3.46Å; S149-K153 PolarHBondContact O-N 2.91Å; D150-K153 PolarHBondContact O-N 2.93Å; K153-L157 VanDerWaalsContact O-CB 3.32Å; K153-L157 WeakPolarHBondContact O-CB 3.47Å; K153-L157 PolarHBondContact O-N 3.27Å; K153-Y179 HydrophobicContact CB-CD1 4.44Å; K153-Y179 HydrophobicContact CB-CD2 4.15Å; K153-Y179 HydrophobicContact CB-CE1 3.94Å; K153-Y179 HydrophobicContact CB-CE2 3.59Å; K153-Y179 VanDerWaalsContact CB-CZ 3.47Å; K153-Y179 HydrophobicContact CD-CE1 3.86Å
154	F	95	Very high	91.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-72.9	-38.7	177.1	-163	-173.4	0	0	0	112.9	D150 V151 M152 L157 K158 Y172 S173 V174 N178 Y179 A182	D150-F154 WeakPolarHBondContact O-CB 3.11Å; D150-F154 PolarHBondContact O-N 2.87Å; V151-F154 WeakPolarHBondContact O-CB 3.28Å; V151-F154 PolarHBondContact O-N 2.81Å; V151-F154 VanDerWaalsContact O-N 3.11Å; M152-F154 PolarHBondContact O-N 3.25Å; F154-L157 HydrophobicContact CD2-CB 4.33Å; F154-L157 HydrophobicContact CD2-CD2 4.33Å; F154-L157 PolarHBondContact O-N 3.42Å; F154-K158 HydrophobicContact CD2-CG 4.11Å; F154-K158 HydrophobicContact CE2-CD 4.28Å; F154-K158 HydrophobicContact CE2-CG 3.75Å; F154-K158 PolarHBondContact O-N 2.91Å; F154-Y172 HydrophobicContact CZ-CG 4.5Å; F154-S173 VanDerWaalsContact CE1-O 3.28Å; F154-S173 WeakPolarHBondContact CE1-O 3.32Å; F154-V174 HydrophobicContact CB-CG1 4.41Å; F154-V174 HydrophobicContact CD1-CB 4.48Å; F154-V174 HydrophobicContact CD1-CG1 4.34Å; F154-V174 HydrophobicContact CG-CG1 4.48Å; F154-N178 HydrophobicContact CD1-CB 4.43Å; F154-N178 HydrophobicContact CE1-CB 3.92Å; F154-Y179 HydrophobicContact CB-CD2 3.67Å; F154-Y179 HydrophobicContact CB-CG 4.34Å; F154-Y179 HydrophobicContact CD2-CD2 4.42Å; F154-Y179 HydrophobicContact CG-CD2 4.15Å; F154-A182 HydrophobicContact CD2-CB 4.27Å; F154-A182 HydrophobicContact CE1-CB 4.37Å; F154-A182 HydrophobicContact CE2-CB 3.61Å; F154-A182 HydrophobicContact CZ-CB 3.69Å
155	V	92.2	Very high	91.7	Very high	57 Å²	57	55.3 Å²	55.3	35%	0.345	31%	0.311	S	S	.	.	H	α-helix	trans	-56.9	-52.9	171.6	173.7	0	0	0	0	109.9	V151 M152 L157 K158 T159 V174	V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3.21Å; M152-V155 PolarHBondContact O-N 2.9Å; M152-V155 VanDerWaalsContact O-N 3.16Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 2.98Å; V155-K158 PolarHBondContact O-N 3.17Å; V155-K158 VanDerWaalsContact O-N 3.17Å; V155-T159 WeakPolarHBondContact O-CG2 3.28Å; V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 VanDerWaalsContact O-N 3.08Å; V155-V174 HydrophobicContact CG2-CG1 3.6Å
156	Y	92.4	Very high	91.8	Very high	98 Å²	98	57.2 Å²	57.2	38%	0.384	32%	0.316	S	S	.	.	H	α-helix	trans	-59.3	-40.6	176.6	-75.2	-59.5	0	0	0	112.5	L121 V142 V148 M152 K158 T159 C160	L121-Y156 HydrophobicContact CD1-CD1 3.71Å; L121-Y156 HydrophobicContact CD1-CG 4.13Å; V142-Y156 HydrophobicContact CG1-CD2 4.13Å; V142-Y156 HydrophobicContact CG1-CG 4.38Å; V148-Y156 HydrophobicContact CG1-CD2 4.37Å; V148-Y156 HydrophobicContact CG1-CE2 4.36Å; M152-Y156 HydrophobicContact CE-CE2 4.09Å; M152-Y156 WeakPolarHBondContact O-CD2 3.29Å; M152-Y156 PolarHBondContact O-N 3.21Å; Y156-K158 PolarHBondContact O-N 2.77Å; Y156-T159 PolarHBondContact O-N 3.24Å; Y156-T159 PolarHBondContact O-OG1 3.03Å; Y156-C160 PolarHBondContact O-N 3.28Å; Y156-C160 PolarHBondContact O-SG 3.22Å
157	L	93.6	Very high	92	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-51.2	175.4	179.6	55.4	0	0	0	110.6	F134 F138 K153 F154 V155 T159 C160 L161 Y179 A182 V183	F134-L157 HydrophobicContact CZ-CD1 4.19Å; F138-L157 HydrophobicContact CE1-CB 4.45Å; F138-L157 HydrophobicContact CE1-CD1 4.25Å; F138-L157 HydrophobicContact CE2-CB 4.07Å; F138-L157 HydrophobicContact CE2-CD1 4.17Å; F138-L157 HydrophobicContact CZ-CB 3.65Å; F138-L157 HydrophobicContact CZ-CD1 4Å; F138-L157 HydrophobicContact CZ-CG 4.36Å; K153-L157 VanDerWaalsContact O-CB 3.32Å; K153-L157 WeakPolarHBondContact O-CB 3.47Å; K153-L157 PolarHBondContact O-N 3.27Å; F154-L157 HydrophobicContact CD2-CB 4.33Å; F154-L157 HydrophobicContact CD2-CD2 4.33Å; F154-L157 PolarHBondContact O-N 3.42Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 2.98Å; L157-T159 VanDerWaalsContact C-N 3.31Å; L157-T159 PolarHBondContact O-N 3.4Å; L157-C160 WeakPolarHBondContact O-CB 3.45Å; L157-C160 PolarHBondContact O-N 3.35Å; L157-L161 HydrophobicContact CD1-CD1 4.19Å; L157-L161 HydrophobicContact CD1-CD2 4.15Å; L157-L161 HydrophobicContact CD1-CG 4.16Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CG 3.12Å; L157-L161 PolarHBondContact O-N 2.97Å; L157-Y179 HydrophobicContact CD2-CE2 4.22Å; L157-A182 HydrophobicContact CD2-CB 4.49Å; L157-V183 HydrophobicContact CD2-CG2 4.23Å
158	K	92.3	Very high	92.2	Very high	40 Å²	40	50.8 Å²	50.8	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-37.4	-178.7	-79.3	-156.3	177.4	-174.4	0	113	F154 V155 Y156 C160 L161 F166 Y172 V174	F154-K158 HydrophobicContact CD2-CG 4.11Å; F154-K158 HydrophobicContact CE2-CD 4.28Å; F154-K158 HydrophobicContact CE2-CG 3.75Å; F154-K158 PolarHBondContact O-N 2.91Å; V155-K158 PolarHBondContact O-N 3.17Å; V155-K158 VanDerWaalsContact O-N 3.17Å; Y156-K158 PolarHBondContact O-N 2.77Å; K158-C160 PolarHBondContact O-N 3Å; K158-L161 PolarHBondContact O-N 3.38Å; K158-F166 HydrophobicContact CB-CE2 4.42Å; K158-F166 HydrophobicContact CD-CE2 4.45Å; K158-Y172 PolarHBondContact NZ-O 3.49Å; K158-V174 HydrophobicContact CD-CG2 3.87Å
159	T	91.1	Very high	92.4	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-23.5	176.8	63	0	0	0	0	112.4	K123 V155 Y156 L157	K123-T159 PolarHBondContact NZ-O 3.42Å; V155-T159 WeakPolarHBondContact O-CG2 3.28Å; V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 VanDerWaalsContact O-N 3.08Å; Y156-T159 PolarHBondContact O-N 3.24Å; Y156-T159 PolarHBondContact O-OG1 3.03Å; L157-T159 VanDerWaalsContact C-N 3.31Å; L157-T159 PolarHBondContact O-N 3.4Å
160	C	93.4	Very high	92.3	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-89.1	-8.6	179.2	-61.2	0	0	0	0	114.2	L121 P122 K123 L124 F134 Y156 L157 K158	L121-C160 WeakPolarHBondContact CB-SG 3.45Å; P122-C160 VanDerWaalsContact O-CB 3.29Å; P122-C160 WeakPolarHBondContact O-CB 3.36Å; K123-C160 CarbonylContact C-O 3.53Å; K123-C160 VanDerWaalsContact CA-O 3.29Å; K123-C160 WeakPolarHBondContact CA-O 3.43Å; L124-C160 PolarHBondContact N-O 2.88Å; F134-C160 HydrophobicContact CE2-CB 3.87Å; F134-C160 HydrophobicContact CZ-CB 4.41Å; Y156-C160 PolarHBondContact O-N 3.28Å; Y156-C160 PolarHBondContact O-SG 3.22Å; L157-C160 WeakPolarHBondContact O-CB 3.45Å; L157-C160 PolarHBondContact O-N 3.35Å; K158-C160 PolarHBondContact O-N 3Å
161	L	93.6	Very high	92	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-97.7	140.1	-179.5	-60.1	177.3	0	0	0	111	L124 F134 L157 K158 A165 F166 T169	L124-L161 HydrophobicContact CB-CD2 4.16Å; L124-L161 HydrophobicContact CD2-CD2 4.16Å; F134-L161 HydrophobicContact CE1-CD2 4.38Å; F134-L161 HydrophobicContact CZ-CD2 3.88Å; L157-L161 HydrophobicContact CD1-CD1 4.19Å; L157-L161 HydrophobicContact CD1-CD2 4.15Å; L157-L161 HydrophobicContact CD1-CG 4.16Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 HydrophobicContact CG-CG 4.47Å; L157-L161 WeakPolarHBondContact O-CG 3.12Å; L157-L161 PolarHBondContact O-N 2.97Å; K158-L161 PolarHBondContact O-N 3.38Å; L161-A165 HydrophobicContact CD2-CB 4.11Å; L161-F166 HydrophobicContact CB-CB 4.03Å; L161-F166 HydrophobicContact CB-CD2 4.27Å; L161-T169 HydrophobicContact CD1-CG2 3.63Å
162	E	91.7	Very high	92.1	Very high	92 Å²	92	50 Å²	50	43%	0.43	29%	0.285	S	S	.	.			trans	-129.3	156.4	177.2	-66.2	177.6	179.9	0	0	110.5	K123 L124 N125 I164 A165 F166	K123-E162 WeakPolarHBondContact CG-OE1 3.16Å; L124-E162 PolarHBondContact O-N 2.81Å; N125-E162 CarbonylContact C-O 3.4Å; N125-E162 WeakPolarHBondContact CA-O 3.15Å; N125-E162 HydrophobicContact CB-CB 4.2Å; E162-I164 PolarHBondContact O-N 3.29Å; E162-A165 WeakPolarHBondContact O-CB 3.5Å; E162-A165 PolarHBondContact O-N 3.48Å; E162-A165 VanDerWaalsContact O-N 3.07Å; E162-F166 PolarHBondContact O-N 3.36Å
163	S	92.7	Very high	92.1	Very high	80 Å²	80	49.5 Å²	49.5	56%	0.559	29%	0.29	S	S	*	.	H	α-helix	trans	47.1	-125.9	171.3	-169.7	0	0	0	0	113.2	A165 F166 D167	S163-A165 PolarHBondContact O-N 3.3Å; S163-F166 WeakPolarHBondContact O-CB 3.46Å; S163-F166 PolarHBondContact O-N 3.41Å; S163-F166 VanDerWaalsContact O-N 3.09Å; S163-D167 PolarHBondContact O-N 3.26Å
164	I	92.1	Very high	91.9	Very high	85 Å²	85	51.4 Å²	51.4	44%	0.436	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-29.9	-175	-56.7	174.3	0	0	0	111.8	N125 E162 A168 R189 F190	N125-I164 PolarHBondContact O-N 3.42Å; E162-I164 PolarHBondContact O-N 3.29Å; I164-A168 WeakPolarHBondContact O-CB 3.49Å; I164-A168 PolarHBondContact O-N 2.97Å; I164-A168 VanDerWaalsContact O-N 3.1Å; I164-R189 VanDerWaalsContact CG2-NH2 3.27Å; I164-F190 HydrophobicContact CG2-CE1 4.34Å; I164-F190 HydrophobicContact CG2-CZ 4.22Å
165	A	92.3	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-74.3	-37.4	177.3	0	0	0	0	0	112.1	L124 L161 E162 S163 A168 F190	L124-A165 HydrophobicContact CD2-CB 4.12Å; L124-A165 HydrophobicContact CG-CB 4.04Å; L124-A165 WeakPolarHBondContact O-CB 3.48Å; L161-A165 HydrophobicContact CD2-CB 4.11Å; E162-A165 WeakPolarHBondContact O-CB 3.5Å; E162-A165 PolarHBondContact O-N 3.48Å; E162-A165 VanDerWaalsContact O-N 3.07Å; S163-A165 PolarHBondContact O-N 3.3Å; A165-A168 WeakPolarHBondContact O-CB 3.11Å; A165-F190 HydrophobicContact CB-CE2 3.94Å; A165-F190 HydrophobicContact CB-CZ 4.01Å
166	F	92.9	Very high	91.7	Very high	82 Å²	82	53.4 Å²	53.4	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-49.6	172.4	-176.5	-91.7	0	0	0	110.7	K158 L161 E162 S163 A168 T169 A170	K158-F166 HydrophobicContact CB-CE2 4.42Å; K158-F166 HydrophobicContact CD-CE2 4.45Å; L161-F166 HydrophobicContact CB-CB 4.03Å; L161-F166 HydrophobicContact CB-CD2 4.27Å; E162-F166 PolarHBondContact O-N 3.36Å; S163-F166 WeakPolarHBondContact O-CB 3.46Å; S163-F166 PolarHBondContact O-N 3.41Å; S163-F166 VanDerWaalsContact O-N 3.09Å; F166-A168 PolarHBondContact O-N 3.09Å; F166-T169 WeakPolarHBondContact O-CA 3.39Å; F166-T169 PolarHBondContact O-N 3.2Å; F166-T169 PolarHBondContact O-OG1 2.82Å; F166-A170 PolarHBondContact O-N 3.08Å
167	D	92.1	Very high	91.8	Very high	104 Å²	104	53 Å²	53	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-57.5	-34.5	179.2	-69.7	-18.3	0	0	0	112.3	S163 T169 A170	S163-D167 PolarHBondContact O-N 3.26Å; D167-T169 PolarHBondContact O-N 3.07Å; D167-T169 VanDerWaalsContact O-N 3.12Å; D167-A170 WeakPolarHBondContact O-CB 3.23Å; D167-A170 PolarHBondContact O-N 3.43Å; D167-A170 VanDerWaalsContact O-N 3.15Å
168	A	90.8	Very high	91.9	Very high	16 Å²	16	55.1 Å²	55.1	13%	0.132	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.6	175.2	0	0	0	0	0	113.5	I164 A165 F166 T185 R189 F190	I164-A168 WeakPolarHBondContact O-CB 3.49Å; I164-A168 PolarHBondContact O-N 2.97Å; I164-A168 VanDerWaalsContact O-N 3.1Å; A165-A168 WeakPolarHBondContact O-CB 3.11Å; F166-A168 PolarHBondContact O-N 3.09Å; A168-T185 WeakPolarHBondContact O-CG2 3.23Å; A168-R189 VanDerWaalsContact CB-NH1 3.29Å; A168-F190 HydrophobicContact CB-CE2 3.94Å; A168-F190 HydrophobicContact CB-CZ 4.22Å
169	T	91.3	Very high	92.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	3.2	-180	68.9	0	0	0	0	113.5	L161 F166 D167 G171 Y172 A182	L161-T169 HydrophobicContact CD1-CG2 3.63Å; F166-T169 WeakPolarHBondContact O-CA 3.39Å; F166-T169 PolarHBondContact O-N 3.2Å; F166-T169 PolarHBondContact O-OG1 2.82Å; D167-T169 PolarHBondContact O-N 3.07Å; D167-T169 VanDerWaalsContact O-N 3.12Å; T169-G171 VanDerWaalsContact C-N 3.26Å; T169-G171 PolarHBondContact O-N 2.89Å; T169-Y172 PolarHBondContact O-N 3.2Å; T169-Y172 VanDerWaalsContact O-N 3.08Å; T169-A182 HydrophobicContact CG2-CB 4.48Å
170	A	88.3	Confident	92.2	Very high	60 Å²	60	53.1 Å²	53.1	50%	0.496	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.4	-173.8	0	0	0	0	0	113.5	F166 D167 Y172	F166-A170 PolarHBondContact O-N 3.08Å; D167-A170 WeakPolarHBondContact O-CB 3.23Å; D167-A170 PolarHBondContact O-N 3.43Å; D167-A170 VanDerWaalsContact O-N 3.15Å; A170-Y172 VanDerWaalsContact C-N 3.27Å; A170-Y172 PolarHBondContact O-N 2.94Å
171	G	88.3	Confident	92.3	Very high	83 Å²	83	54.2 Å²	54.2	86%	0.856	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.2	178.2	0	0	0	0	0	115.3	T169	T169-G171 VanDerWaalsContact C-N 3.26Å; T169-G171 PolarHBondContact O-N 2.89Å
172	Y	92.1	Very high	92.4	Very high	65 Å²	65	53.9 Å²	53.9	26%	0.255	36%	0.356	S	S	.	.	S	Bend	trans	-94.1	118.3	178.3	-66.9	-78	0	0	0	110.4	F154 K158 T169 A170 N178 G181 A182 T185	F154-Y172 HydrophobicContact CZ-CG 4.5Å; K158-Y172 PolarHBondContact NZ-O 3.49Å; T169-Y172 PolarHBondContact O-N 3.2Å; T169-Y172 VanDerWaalsContact O-N 3.08Å; A170-Y172 VanDerWaalsContact C-N 3.27Å; A170-Y172 PolarHBondContact O-N 2.94Å; Y172-N178 HydrophobicContact CD1-CB 4.05Å; Y172-G181 PolarHBondContact OH-O 3.36Å; Y172-A182 HydrophobicContact CD2-CB 4.09Å; Y172-A182 HydrophobicContact CE2-CB 4.49Å; Y172-A182 HydrophobicContact CG-CB 4.22Å; Y172-T185 HydrophobicContact CE2-CG2 4.38Å; Y172-T185 PolarHBondContact OH-OG1 2.76Å
173	S	91.3	Very high	92.5	Very high	71 Å²	71	50 Å²	50	50%	0.497	34%	0.338	S	S	.	.			trans	-69.3	143.9	167.9	59.1	0	0	0	0	110.1	F154 T175 N178	F154-S173 VanDerWaalsContact CE1-O 3.28Å; F154-S173 WeakPolarHBondContact CE1-O 3.32Å; S173-T175 PolarHBondContact O-N 2.71Å; S173-N178 WeakPolarHBondContact O-CB 3.43Å; S173-N178 PolarHBondContact O-ND2 3.4Å; S173-N178 PolarHBondContact OG-ND2 3.3Å
174	V	90.9	Very high	92.6	Very high	61 Å²	61	48.9 Å²	48.9	37%	0.37	33%	0.334	S	S	.	.	S	Bend	trans	-72	90.1	-176.3	-176	0	0	0	0	109.8	V151 F154 V155 K158	V151-V174 HydrophobicContact CG1-CG1 4.3Å; F154-V174 HydrophobicContact CB-CG1 4.41Å; F154-V174 HydrophobicContact CD1-CB 4.48Å; F154-V174 HydrophobicContact CD1-CG1 4.34Å; F154-V174 HydrophobicContact CG-CG1 4.48Å; V155-V174 HydrophobicContact CG2-CG1 3.6Å; K158-V174 HydrophobicContact CD-CG2 3.87Å
175	T	91.2	Very high	92.7	Very high	53 Å²	53	46.8 Å²	46.8	33%	0.325	33%	0.325	S	S	.	.	S	Bend	trans	-140.7	158.3	179	68.2	0	0	0	0	109.7	S173 A177 N178 Y179	S173-T175 PolarHBondContact O-N 2.71Å; T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 3.24Å; T175-N178 PolarHBondContact O-N 2.95Å; T175-N178 WeakPolarHBondContact OG1-CB 3.35Å; T175-N178 VanDerWaalsContact OG1-CG 3.29Å; T175-N178 PolarHBondContact OG1-N 3.36Å; T175-N178 PolarHBondContact OG1-ND2 2.93Å; T175-N178 VanDerWaalsContact OG1-ND2 3.13Å; T175-Y179 PolarHBondContact O-N 3.17Å
176	A	92	Very high	92.7	Very high	46 Å²	46	46.8 Å²	46.8	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-45.5	-179.9	0	0	0	0	0	111.1	D150 V151 N178 Y179	D150-A176 HydrophobicContact CB-CB 4.06Å; V151-A176 HydrophobicContact CG2-CB 3.74Å; A176-N178 PolarHBondContact O-N 3.03Å; A176-Y179 WeakPolarHBondContact O-CB 3.04Å; A176-Y179 PolarHBondContact O-N 3.49Å
177	A	93.7	Very high	92.7	Very high	89 Å²	89	46.8 Å²	46.8	74%	0.736	33%	0.325	S	S	*	.	H	α-helix	trans	-59.7	-31.3	-178.9	0	0	0	0	0	113.2	T175	T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 3.24Å
178	N	95.6	Very high	92.6	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-85.7	-14.9	-177.4	-73	-20.3	0	0	0	114	F154 Y172 S173 T175 A176 A180 G181 A182	F154-N178 HydrophobicContact CD1-CB 4.43Å; F154-N178 HydrophobicContact CE1-CB 3.92Å; Y172-N178 HydrophobicContact CD1-CB 4.05Å; S173-N178 WeakPolarHBondContact O-CB 3.43Å; S173-N178 PolarHBondContact O-ND2 3.4Å; S173-N178 PolarHBondContact OG-ND2 3.3Å; T175-N178 PolarHBondContact O-N 2.95Å; T175-N178 WeakPolarHBondContact OG1-CB 3.35Å; T175-N178 VanDerWaalsContact OG1-CG 3.29Å; T175-N178 PolarHBondContact OG1-N 3.36Å; T175-N178 PolarHBondContact OG1-ND2 2.93Å; T175-N178 VanDerWaalsContact OG1-ND2 3.13Å; A176-N178 PolarHBondContact O-N 3.03Å; N178-A180 PolarHBondContact O-N 3.08Å; N178-G181 PolarHBondContact O-N 3.34Å; N178-A182 PolarHBondContact O-N 2.89Å
179	Y	95.8	Very high	92.6	Very high	6 Å²	6	50 Å²	50	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-49.2	-174.9	176.1	-117.3	0	0	0	112.2	H143 D150 K153 F154 L157 T175 A176 G181 A182 V183	H143-Y179 AromaticContact CE1-CE1 3.95Å; H143-Y179 AromaticContact ND1-CE1 3.63Å; H143-Y179 AromaticContact ND1-CZ 3.58Å; H143-Y179 PolarHBondContact ND1-OH 3.26Å; D150-Y179 HydrophobicContact CB-CD1 4.12Å; D150-Y179 HydrophobicContact CB-CG 4.35Å; K153-Y179 HydrophobicContact CB-CD1 4.44Å; K153-Y179 HydrophobicContact CB-CD2 4.15Å; K153-Y179 HydrophobicContact CB-CE1 3.94Å; K153-Y179 HydrophobicContact CB-CE2 3.59Å; K153-Y179 VanDerWaalsContact CB-CZ 3.47Å; K153-Y179 HydrophobicContact CD-CE1 3.86Å; F154-Y179 HydrophobicContact CB-CD2 3.67Å; F154-Y179 HydrophobicContact CB-CG 4.34Å; F154-Y179 HydrophobicContact CD2-CD2 4.42Å; F154-Y179 HydrophobicContact CG-CD2 4.15Å; L157-Y179 HydrophobicContact CD2-CE2 4.22Å; T175-Y179 PolarHBondContact O-N 3.17Å; A176-Y179 WeakPolarHBondContact O-CB 3.04Å; A176-Y179 PolarHBondContact O-N 3.49Å; Y179-G181 VanDerWaalsContact C-N 3.3Å; Y179-G181 PolarHBondContact O-N 3.01Å; Y179-A182 PolarHBondContact O-N 2.9Å; Y179-V183 HydrophobicContact CD1-CG2 4.47Å; Y179-V183 HydrophobicContact CD2-CG2 4.09Å; Y179-V183 HydrophobicContact CE1-CG2 4.06Å; Y179-V183 HydrophobicContact CE2-CG2 3.66Å; Y179-V183 HydrophobicContact CG-CG2 4.49Å; Y179-V183 WeakPolarHBondContact O-CG2 3.42Å; Y179-V183 PolarHBondContact O-N 3.46Å
180	A	95	Very high	92.7	Very high	69 Å²	69	50.4 Å²	50.4	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-58.8	-41.9	178.5	0	0	0	0	0	111.9	N178 V183 A184	N178-A180 PolarHBondContact O-N 3.08Å; A180-V183 PolarHBondContact O-N 2.92Å; A180-A184 WeakPolarHBondContact O-CB 3.34Å; A180-A184 PolarHBondContact O-N 3.16Å
181	G	95.2	Very high	92.8	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.2	0	0	0	0	0	113.2	Y172 N178 Y179 A184 T185	Y172-G181 PolarHBondContact OH-O 3.36Å; N178-G181 PolarHBondContact O-N 3.34Å; Y179-G181 VanDerWaalsContact C-N 3.3Å; Y179-G181 PolarHBondContact O-N 3.01Å; G181-A184 PolarHBondContact O-N 3.05Å; G181-T185 WeakPolarHBondContact O-CB 3.25Å; G181-T185 PolarHBondContact O-N 3.25Å; G181-T185 PolarHBondContact O-OG1 3.28Å
182	A	94.4	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-42	175.9	0	0	0	0	0	112	F154 L157 T169 Y172 N178 Y179 T185 R186	F154-A182 HydrophobicContact CD2-CB 4.27Å; F154-A182 HydrophobicContact CE1-CB 4.37Å; F154-A182 HydrophobicContact CE2-CB 3.61Å; F154-A182 HydrophobicContact CZ-CB 3.69Å; L157-A182 HydrophobicContact CD2-CB 4.49Å; T169-A182 HydrophobicContact CG2-CB 4.48Å; Y172-A182 HydrophobicContact CD2-CB 4.09Å; Y172-A182 HydrophobicContact CE2-CB 4.49Å; Y172-A182 HydrophobicContact CG-CB 4.22Å; N178-A182 PolarHBondContact O-N 2.89Å; Y179-A182 PolarHBondContact O-N 2.9Å; A182-T185 PolarHBondContact O-N 3Å; A182-R186 PolarHBondContact O-N 3.25Å
183	V	95	Very high	92.7	Very high	11 Å²	11	49 Å²	49	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-47.8	174.6	172.8	0	0	0	0	110.9	W135 L157 Y179 A180 T185 R186 K187	W135-V183 HydrophobicContact CH2-CG1 3.56Å; W135-V183 HydrophobicContact CH2-CG2 4.45Å; W135-V183 HydrophobicContact CZ2-CG1 4.3Å; W135-V183 HydrophobicContact CZ3-CG1 4.15Å; L157-V183 HydrophobicContact CD2-CG2 4.23Å; Y179-V183 HydrophobicContact CD1-CG2 4.47Å; Y179-V183 HydrophobicContact CD2-CG2 4.09Å; Y179-V183 HydrophobicContact CE1-CG2 4.06Å; Y179-V183 HydrophobicContact CE2-CG2 3.66Å; Y179-V183 HydrophobicContact CG-CG2 4.49Å; Y179-V183 WeakPolarHBondContact O-CG2 3.42Å; Y179-V183 PolarHBondContact O-N 3.46Å; A180-V183 PolarHBondContact O-N 2.92Å; V183-T185 PolarHBondContact O-N 3.28Å; V183-R186 PolarHBondContact O-N 2.99Å; V183-K187 HydrophobicContact CG1-CD 4.33Å; V183-K187 PolarHBondContact O-N 3.34Å
184	A	94.7	Very high	92.5	Very high	57 Å²	57	48 Å²	48	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-44.3	178.3	0	0	0	0	0	111.9	A180 G181 R186 K187 S188	A180-A184 WeakPolarHBondContact O-CB 3.34Å; A180-A184 PolarHBondContact O-N 3.16Å; G181-A184 PolarHBondContact O-N 3.05Å; A184-R186 VanDerWaalsContact C-N 3.33Å; A184-R186 PolarHBondContact O-N 2.78Å; A184-K187 PolarHBondContact O-N 3.23Å; A184-S188 WeakPolarHBondContact O-CB 3.25Å; A184-S188 PolarHBondContact O-N 3.05Å
185	T	93.3	Very high	92.4	Very high	40 Å²	40	47.5 Å²	47.5	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-42.6	176.5	-67.9	0	0	0	0	111.8	A168 Y172 G181 A182 V183 S188 R189	A168-T185 WeakPolarHBondContact O-CG2 3.23Å; Y172-T185 HydrophobicContact CE2-CG2 4.38Å; Y172-T185 PolarHBondContact OH-OG1 2.76Å; G181-T185 WeakPolarHBondContact O-CB 3.25Å; G181-T185 PolarHBondContact O-N 3.25Å; G181-T185 PolarHBondContact O-OG1 3.28Å; A182-T185 PolarHBondContact O-N 3Å; V183-T185 PolarHBondContact O-N 3.28Å; T185-S188 PolarHBondContact O-N 3.47Å; T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.24Å; T185-R189 PolarHBondContact O-N 3.21Å
186	R	93	Very high	92.5	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-48.5	177.9	-168.3	-164.7	54.9	-142.1	95.4	111.9	L124 F131 A182 V183 A184 S188 R189 F190	L124-R186 HydrophobicContact CD2-CG 4.31Å; F131-R186 HydrophobicContact CE2-CG 4Å; A182-R186 PolarHBondContact O-N 3.25Å; V183-R186 PolarHBondContact O-N 2.99Å; A184-R186 VanDerWaalsContact C-N 3.33Å; A184-R186 PolarHBondContact O-N 2.78Å; R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.72Å; R186-R189 PolarHBondContact O-N 3.45Å; R186-F190 HydrophobicContact CG-CD2 3.92Å; R186-F190 PolarHBondContact O-N 2.87Å
187	K	92.5	Very high	92.5	Very high	81 Å²	81	43 Å²	43	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-58.6	-44.6	175.9	-76.4	-171.9	174.8	-174.3	0	110.7	F131 W135 V183 A184 R189 G191	F131-K187 HydrophobicContact CZ-CG 4.12Å; W135-K187 VanDerWaalsContact CZ2-NZ 3.29Å; V183-K187 HydrophobicContact CG1-CD 4.33Å; V183-K187 PolarHBondContact O-N 3.34Å; A184-K187 PolarHBondContact O-N 3.23Å; K187-R189 PolarHBondContact O-N 3.37Å; K187-G191 CarbonylContact O-C 3.57Å; K187-G191 VanDerWaalsContact O-C 3.3Å; K187-G191 WeakPolarHBondContact O-CA 3.44Å; K187-G191 PolarHBondContact O-N 3.31Å
188	S	90.5	Very high	92.4	Very high	74 Å²	74	40.1 Å²	40.1	52%	0.517	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-37.6	177.3	177.8	0	0	0	0	113	A184 T185 R186 R192	A184-S188 WeakPolarHBondContact O-CB 3.25Å; A184-S188 PolarHBondContact O-N 3.05Å; T185-S188 PolarHBondContact O-N 3.47Å; R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.72Å; S188-R192 PolarHBondContact O-NE 2.88Å; S188-R192 PolarHBondContact O-NH2 2.73Å
189	R	90.6	Very high	92.4	Very high	114 Å²	114	42.6 Å²	42.6	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-85.1	-40.1	-175.7	-170.1	170.2	179.2	170.1	-1.9	113.7	I164 A168 T185 R186 K187	I164-R189 VanDerWaalsContact CG2-NH2 3.27Å; A168-R189 VanDerWaalsContact CB-NH1 3.29Å; T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.24Å; T185-R189 PolarHBondContact O-N 3.21Å; R186-R189 PolarHBondContact O-N 3.45Å; K187-R189 PolarHBondContact O-N 3.37Å
190	F	92.8	Very high	92.3	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-117.9	-28.9	-170.8	-52.9	-72	0	0	0	113.2	G126 F131 I164 A165 A168 R186 R192	G126-F190 WeakPolarHBondContact O-CD1 3.25Å; F131-F190 HydrophobicContact CD2-CB 3.51Å; F131-F190 HydrophobicContact CE2-CB 4.07Å; F131-F190 HydrophobicContact CG-CB 4.19Å; I164-F190 HydrophobicContact CG2-CE1 4.34Å; I164-F190 HydrophobicContact CG2-CZ 4.22Å; A165-F190 HydrophobicContact CB-CE2 3.94Å; A165-F190 HydrophobicContact CB-CZ 4.01Å; A168-F190 HydrophobicContact CB-CE2 3.94Å; A168-F190 HydrophobicContact CB-CZ 4.22Å; R186-F190 HydrophobicContact CG-CD2 3.92Å; R186-F190 PolarHBondContact O-N 2.87Å; F190-R192 VanDerWaalsContact C-N 3.34Å; F190-R192 PolarHBondContact O-N 3.18Å
191	G	91.4	Very high	92.3	Very high	19 Å²	19	39.5 Å²	39.5	20%	0.196	22%	0.215	C	C	.	.			trans	-90.8	46	-175.5	0	0	0	0	0	115.3	K187 P193	K187-G191 CarbonylContact O-C 3.57Å; K187-G191 VanDerWaalsContact O-C 3.3Å; K187-G191 WeakPolarHBondContact O-CA 3.44Å; K187-G191 PolarHBondContact O-N 3.31Å; G191-P193 WeakPolarHBondContact O-CD 3.5Å
192	R	89.2	Confident	92.3	Very high	91 Å²	91	39 Å²	39	34%	0.343	21%	0.207	S	C	.	.			trans	-95.1	106.5	180	-65.5	-180	-170.4	175.7	2.2	110.3	S188 F190 N194 L195 I196	S188-R192 PolarHBondContact O-NE 2.88Å; S188-R192 PolarHBondContact O-NH2 2.73Å; F190-R192 VanDerWaalsContact C-N 3.34Å; F190-R192 PolarHBondContact O-N 3.18Å; R192-N194 VanDerWaalsContact C-N 3.29Å; R192-N194 PolarHBondContact O-N 3.44Å; R192-L195 HydrophobicContact CB-CB 3.82Å; R192-L195 WeakPolarHBondContact O-CB 3.37Å; R192-L195 PolarHBondContact O-N 2.94Å; R192-I196 WeakPolarHBondContact O-CG1 3.5Å; R192-I196 PolarHBondContact O-N 3.41Å
193	P	88.5	Confident	92.3	Very high	68 Å²	68	42.1 Å²	42.1	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-41.1	-173.4	-27.2	35.7	0	0	0	113.5	G191 L195 I196 A197	G191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-L195 PolarHBondContact O-N 3.23Å; P193-I196 PolarHBondContact O-N 3.14Å; P193-A197 VanDerWaalsContact O-CB 3.28Å; P193-A197 WeakPolarHBondContact O-CB 3.3Å; P193-A197 PolarHBondContact O-N 3.22Å
194	N	87	Confident	92.2	Very high	50 Å²	50	43 Å²	43	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-66.1	-36.8	178	-74	-13.5	0	0	0	113.3	R192 E198 K237 Q275	R192-N194 VanDerWaalsContact C-N 3.29Å; R192-N194 PolarHBondContact O-N 3.44Å; N194-E198 VanDerWaalsContact O-CB 3.31Å; N194-E198 WeakPolarHBondContact O-CB 3.3Å; N194-E198 PolarHBondContact O-N 3.17Å; N194-K237 PolarHBondContact OD1-NZ 3.38Å; N194-Q275 PolarHBondContact ND2-NE2 2.95Å; N194-Q275 PolarHBondContact OD1-NE2 3.32Å
195	L	89.5	Confident	92.1	Very high	52 Å²	52	45.1 Å²	45.1	27%	0.272	23%	0.227	S	C	.	.	H	α-helix	trans	-70.9	-41.4	176.9	-178.6	64.2	0	0	0	110.9	V128 R192 P193 E198 K199	V128-L195 HydrophobicContact CG1-CD2 4.12Å; V128-L195 HydrophobicContact CG1-CG 4.12Å; V128-L195 HydrophobicContact CG2-CD2 4.06Å; R192-L195 HydrophobicContact CB-CB 3.82Å; R192-L195 WeakPolarHBondContact O-CB 3.37Å; R192-L195 PolarHBondContact O-N 2.94Å; P193-L195 PolarHBondContact O-N 3.23Å; L195-E198 PolarHBondContact O-N 3.25Å; L195-K199 VanDerWaalsContact O-CG 3.25Å; L195-K199 WeakPolarHBondContact O-CG 3.33Å; L195-K199 PolarHBondContact O-N 3.12Å
196	I	92.7	Very high	92	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-46.5	176.9	-58.1	159.7	0	0	0	109.2	V128 F131 T132 R192 P193 K199 H200 L235	V128-I196 HydrophobicContact CG1-CB 4.19Å; V128-I196 HydrophobicContact CG1-CD1 4.43Å; V128-I196 HydrophobicContact CG1-CG1 3.3Å; F131-I196 HydrophobicContact CD1-CD1 4.32Å; T132-I196 HydrophobicContact CG2-CD1 4.06Å; R192-I196 WeakPolarHBondContact O-CG1 3.5Å; R192-I196 PolarHBondContact O-N 3.41Å; P193-I196 PolarHBondContact O-N 3.14Å; I196-K199 WeakPolarHBondContact O-CB 3.49Å; I196-K199 PolarHBondContact O-N 3.46Å; I196-H200 PolarHBondContact O-CD2 3.22Å; I196-H200 VanDerWaalsContact O-CD2 3.24Å; I196-H200 PolarHBondContact O-N 3.19Å; I196-L235 HydrophobicContact CB-CD1 4.1Å; I196-L235 HydrophobicContact CG2-CD1 3.73Å
197	A	92.4	Very high	91.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-48	174.6	0	0	0	0	0	112.3	P193 K199 H200 I201 L232 L235 K237	P193-A197 VanDerWaalsContact O-CB 3.28Å; P193-A197 WeakPolarHBondContact O-CB 3.3Å; P193-A197 PolarHBondContact O-N 3.22Å; A197-K199 PolarHBondContact O-N 3.49Å; A197-H200 PolarHBondContact O-N 3.09Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.34Å; A197-I201 PolarHBondContact O-N 3.13Å; A197-L232 HydrophobicContact CB-CD2 4.05Å; A197-L235 HydrophobicContact CB-CD1 4.25Å; A197-K237 HydrophobicContact CB-CD 3.72Å
198	E	92.2	Very high	91.7	Very high	29 Å²	29	55.6 Å²	55.6	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-54.7	-42.8	175.5	-175.7	-171.5	159.3	0	0	110.8	N194 L195 I201 L202 A252 K255 Q256	N194-E198 VanDerWaalsContact O-CB 3.31Å; N194-E198 WeakPolarHBondContact O-CB 3.3Å; N194-E198 PolarHBondContact O-N 3.17Å; L195-E198 PolarHBondContact O-N 3.25Å; E198-I201 PolarHBondContact O-N 3.17Å; E198-L202 HydrophobicContact CG-CD1 4.08Å; E198-L202 HydrophobicContact CG-CG 4.46Å; E198-L202 WeakPolarHBondContact O-CB 3.31Å; E198-L202 VanDerWaalsContact O-CG 3.23Å; E198-L202 WeakPolarHBondContact O-CG 3.25Å; E198-L202 PolarHBondContact O-N 3.33Å; E198-A252 HydrophobicContact CG-CB 3.88Å; E198-K255 VanDerWaalsContact CD-NZ 3.31Å; E198-K255 WeakPolarHBondContact OE1-CD 3.36Å; E198-K255 VanDerWaalsContact OE1-CE 3.23Å; E198-K255 WeakPolarHBondContact OE1-CE 3.35Å; E198-K255 IonicContact OE1-NZ 3.21Å; E198-K255 PolarHBondContact OE1-NZ 2.78Å; E198-K255 IonicContact OE2-NZ 3.86Å; E198-K255 PolarHBondContact OE2-NZ 2.63Å; E198-Q256 PolarHBondContact OE1-NE2 3.32Å
199	K	94.3	Very high	91.6	Very high	96 Å²	96	60 Å²	60	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-45.2	178.9	-72.2	-71.9	-174.9	173.7	0	112.6	L129 L195 I196 A197 L202 E203	L129-K199 HydrophobicContact CD2-CB 3.46Å; L129-K199 VanDerWaalsContact CD2-CB 3.46Å; L129-K199 HydrophobicContact CD2-CG 4.5Å; L129-K199 HydrophobicContact CG-CB 4.15Å; L195-K199 VanDerWaalsContact O-CG 3.25Å; L195-K199 WeakPolarHBondContact O-CG 3.33Å; L195-K199 PolarHBondContact O-N 3.12Å; I196-K199 WeakPolarHBondContact O-CB 3.49Å; I196-K199 PolarHBondContact O-N 3.46Å; A197-K199 PolarHBondContact O-N 3.49Å; K199-L202 PolarHBondContact O-N 3.4Å; K199-E203 PolarHBondContact O-N 3.4Å
200	H	95.2	Very high	91.6	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-40.6	175	-73.6	-59.3	0	0	0	112.4	I196 A197 L202 E203 L204 N228 A231 L232	I196-H200 PolarHBondContact O-CD2 3.22Å; I196-H200 VanDerWaalsContact O-CD2 3.24Å; I196-H200 PolarHBondContact O-N 3.19Å; A197-H200 PolarHBondContact O-N 3.09Å; H200-L202 VanDerWaalsContact C-N 3.34Å; H200-L202 PolarHBondContact O-N 2.94Å; H200-E203 PolarHBondContact O-N 3.13Å; H200-L204 WeakPolarHBondContact O-CG 3.31Å; H200-L204 PolarHBondContact O-N 2.94Å; H200-N228 PolarHBondContact ND1-OD1 2.92Å; H200-A231 WeakPolarHBondContact CE1-CB 3.47Å; H200-A231 VanDerWaalsContact NE2-CB 3.3Å; H200-A231 WeakPolarHBondContact NE2-CB 3.5Å; H200-L232 HydrophobicContact CB-CD1 4.23Å; H200-L232 HydrophobicContact CB-CD2 3.83Å; H200-L232 HydrophobicContact CB-CG 3.77Å
201	I	94.6	Very high	91.3	Very high	5 Å²	5	63 Å²	63	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-45.9	174.2	-66.8	163.3	0	0	0	110.1	A197 E198 E203 L204 M205 L232 L244 M249 A252	A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.34Å; A197-I201 PolarHBondContact O-N 3.13Å; E198-I201 PolarHBondContact O-N 3.17Å; I201-E203 PolarHBondContact O-N 3.31Å; I201-L204 PolarHBondContact O-N 3.34Å; I201-M205 HydrophobicContact CG2-CG 4.29Å; I201-M205 VanDerWaalsContact O-CG 3.25Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.89Å; I201-L232 HydrophobicContact CG1-CD1 4.3Å; I201-L232 HydrophobicContact CG1-CD2 4.21Å; I201-L244 HydrophobicContact CD1-CD1 3.85Å; I201-L244 HydrophobicContact CG1-CD2 4.38Å; I201-M249 HydrophobicContact CG2-CB 4.48Å; I201-M249 HydrophobicContact CG2-CG 4.48Å; I201-A252 HydrophobicContact CB-CB 4.22Å; I201-A252 HydrophobicContact CD1-CB 4.46Å; I201-A252 HydrophobicContact CG2-CB 3.72Å
202	L	95.2	Very high	91.1	Very high	14 Å²	14	70.3 Å²	70.3	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-38.4	178.5	-71.8	173.9	0	0	0	112.7	E198 K199 H200 M205 Q206 Q256	E198-L202 HydrophobicContact CG-CD1 4.08Å; E198-L202 HydrophobicContact CG-CG 4.46Å; E198-L202 WeakPolarHBondContact O-CB 3.31Å; E198-L202 VanDerWaalsContact O-CG 3.23Å; E198-L202 WeakPolarHBondContact O-CG 3.25Å; E198-L202 PolarHBondContact O-N 3.33Å; K199-L202 PolarHBondContact O-N 3.4Å; H200-L202 VanDerWaalsContact C-N 3.34Å; H200-L202 PolarHBondContact O-N 2.94Å; L202-M205 PolarHBondContact O-N 2.71Å; L202-Q206 VanDerWaalsContact O-CB 3.24Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 2.83Å; L202-Q256 HydrophobicContact CD1-CG 4.01Å; L202-Q256 HydrophobicContact CD2-CG 3.57Å; L202-Q256 HydrophobicContact CG-CG 4.46Å
203	E	94.2	Very high	91	Very high	64 Å²	64	71.8 Å²	71.8	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-41.5	173.6	-73.7	-160.3	164.4	0	0	112	L129 K199 H200 I201 Q206 T207 R227 N228	L129-E203 HydrophobicContact CD1-CG 4.39Å; L129-E203 WeakPolarHBondContact CD1-OE1 3.35Å; K199-E203 PolarHBondContact O-N 3.4Å; H200-E203 PolarHBondContact O-N 3.13Å; I201-E203 PolarHBondContact O-N 3.31Å; E203-Q206 PolarHBondContact O-N 3.08Å; E203-T207 PolarHBondContact O-N 3.28Å; E203-T207 VanDerWaalsContact O-N 3.07Å; E203-T207 PolarHBondContact O-OG1 3Å; E203-R227 IonicContact OE2-CZ 2.99Å; E203-R227 VanDerWaalsContact OE2-CZ 3.24Å; E203-R227 IonicContact OE2-NH1 3.79Å; E203-R227 PolarHBondContact OE2-NH1 2.94Å; E203-R227 IonicContact OE2-NH2 2.82Å; E203-R227 PolarHBondContact OE2-NH2 3.07Å; E203-N228 PolarHBondContact OE2-ND2 3.32Å; E203-N228 VanDerWaalsContact OE2-ND2 3.08Å; E203-N228 PolarHBondContact OE2-OD1 2.77Å
204	L	93.5	Very high	91.2	Very high	30 Å²	30	71.5 Å²	71.5	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-48	174	-73	171.4	0	0	0	111.4	H200 I201 Q206 T207 V225 N228 V229 L232	H200-L204 WeakPolarHBondContact O-CG 3.31Å; H200-L204 PolarHBondContact O-N 2.94Å; I201-L204 PolarHBondContact O-N 3.34Å; L204-Q206 VanDerWaalsContact C-N 3.26Å; L204-Q206 PolarHBondContact O-N 2.91Å; L204-T207 WeakPolarHBondContact O-CB 3.46Å; L204-T207 PolarHBondContact O-N 2.99Å; L204-T207 PolarHBondContact O-OG1 2.75Å; L204-T207 VanDerWaalsContact O-OG1 3.13Å; L204-V225 HydrophobicContact CD2-CB 4.35Å; L204-V225 HydrophobicContact CD2-CG1 4.13Å; L204-V225 HydrophobicContact CD2-CG2 4.44Å; L204-N228 HydrophobicContact CD1-CB 4.1Å; L204-N228 HydrophobicContact CD2-CB 3.62Å; L204-N228 HydrophobicContact CG-CB 3.6Å; L204-V229 HydrophobicContact CD1-CG2 4.35Å; L204-V229 HydrophobicContact CD2-CG2 4.31Å; L204-L232 HydrophobicContact CD1-CD1 3.63Å
205	M	92	Very high	91.4	Very high	101 Å²	101	72.7 Å²	72.7	50%	0.498	37%	0.372	S	S	.	.	H	α-helix	trans	-69.9	-22.1	-178.4	-64.2	-61.7	105.5	0	0	113.6	I201 L202 M249 V253	I201-M205 HydrophobicContact CG2-CG 4.29Å; I201-M205 VanDerWaalsContact O-CG 3.25Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.89Å; L202-M205 PolarHBondContact O-N 2.71Å; M205-M249 HydrophobicContact CE-CE 3.66Å; M205-M249 HydrophobicContact SD-CE 4.42Å; M205-V253 HydrophobicContact CB-CG2 4.22Å; M205-V253 HydrophobicContact CG-CG2 3.7Å; M205-V253 HydrophobicContact SD-CG2 4.46Å
206	Q	91.4	Very high	91.4	Very high	134 Å²	134	76 Å²	76	63%	0.626	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	7.1	178.6	-65.5	172.5	27	0	0	113	L202 E203 L204 E208	L202-Q206 VanDerWaalsContact O-CB 3.24Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 2.83Å; E203-Q206 PolarHBondContact O-N 3.08Å; L204-Q206 VanDerWaalsContact C-N 3.26Å; L204-Q206 PolarHBondContact O-N 2.91Å; Q206-E208 PolarHBondContact O-N 2.99Å
207	T	91.1	Very high	91.3	Very high	43 Å²	43	77.7 Å²	77.7	26%	0.264	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-56.5	126	177.6	-66	0	0	0	0	109.8	E203 L204 V221 V225	E203-T207 PolarHBondContact O-N 3.28Å; E203-T207 VanDerWaalsContact O-N 3.07Å; E203-T207 PolarHBondContact O-OG1 3Å; L204-T207 WeakPolarHBondContact O-CB 3.46Å; L204-T207 PolarHBondContact O-N 2.99Å; L204-T207 PolarHBondContact O-OG1 2.75Å; L204-T207 VanDerWaalsContact O-OG1 3.13Å; T207-V221 HydrophobicContact CG2-CG1 4.35Å; T207-V225 HydrophobicContact CG2-CG2 4.36Å
208	E	87.3	Confident	91.4	Very high	166 Å²	166	82.2 Å²	82.2	78%	0.776	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-64.8	146.1	-173.9	-64.6	-171.3	165.5	0	0	112	Q206 C210	Q206-E208 PolarHBondContact O-N 2.99Å; E208-C210 PolarHBondContact O-N 3.31Å
209	K	89.3	Confident	91.5	Very high	167 Å²	167	88.4 Å²	88.4	73%	0.726	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-64.4	123.6	174.3	-179.1	-179.9	176.8	-179.9	0	110	N211	K209-N211 PolarHBondContact O-N 3.36Å; K209-N211 VanDerWaalsContact O-N 3.15Å; K209-N211 PolarHBondContact O-ND2 3.24Å
210	C	89.3	Confident	91.4	Very high	48 Å²	48	89.5 Å²	89.5	32%	0.324	44%	0.442	S	S	.	.			trans	-66.4	110.6	168.9	-164.4	0	0	0	0	110.2	E208 R212 V221	E208-C210 PolarHBondContact O-N 3.31Å; C210-R212 PolarHBondContact SG-O 3.39Å; C210-V221 HydrophobicContact CB-CG2 4.01Å
211	N	87.9	Confident	91.3	Very high	135 Å²	135	91.4 Å²	91.4	72%	0.722	45%	0.454	S	S	*	.			trans	-93.1	-11.8	-179.1	-65.2	-50.7	0	0	0	113.2	K209	K209-N211 PolarHBondContact O-N 3.36Å; K209-N211 VanDerWaalsContact O-N 3.15Å; K209-N211 PolarHBondContact O-ND2 3.24Å
212	R	86.6	Confident	91.3	Very high	173 Å²	173	96.4 Å²	96.4	65%	0.653	48%	0.477	S	S	*	.	S	Bend	trans	-130.8	128.1	-173.7	-68.5	-178.9	-175.5	172.6	2.1	109.7	C210 T214 D217	C210-R212 PolarHBondContact SG-O 3.39Å; R212-T214 HydrophobicContact CB-CG2 4.35Å; R212-T214 PolarHBondContact O-N 2.92Å; R212-D217 WeakPolarHBondContact CB-OD2 3.45Å; R212-D217 WeakPolarHBondContact O-CB 3.48Å
213	P	87.9	Confident	91.2	Very high	122 Å²	122	99.6 Å²	99.6	79%	0.792	50%	0.495	S	S	*	.			trans	-84	46.2	-178.3	36	-36.9	0	0	0	111.8
214	T	90.7	Very high	91.2	Very high	62 Å²	62	98.4 Å²	98.4	38%	0.38	49%	0.492	S	S	.	.			trans	-90.4	149.7	175.2	81	0	0	0	0	110.5	R212 R216 D217 L218	R212-T214 HydrophobicContact CB-CG2 4.35Å; R212-T214 PolarHBondContact O-N 2.92Å; T214-R216 PolarHBondContact O-N 2.95Å; T214-R216 VanDerWaalsContact O-N 3.09Å; T214-D217 WeakPolarHBondContact CB-OD2 3.12Å; T214-D217 WeakPolarHBondContact CG2-OD2 2.92Å; T214-D217 PolarHBondContact O-N 3.08Å; T214-D217 VanDerWaalsContact O-N 3.15Å; T214-D217 PolarHBondContact OG1-N 2.95Å; T214-D217 VanDerWaalsContact OG1-N 3.17Å; T214-D217 PolarHBondContact OG1-OD2 2.81Å; T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 WeakPolarHBondContact O-CG 3.39Å; T214-L218 PolarHBondContact O-N 2.9Å
215	A	91.4	Very high	91.3	Very high	76 Å²	76	99.7 Å²	99.7	63%	0.628	50%	0.501	S	S	*	.	H	α-helix	trans	-55	-31.4	177	0	0	0	0	0	112.4	R219	A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 PolarHBondContact O-N 3.1Å
216	R	90.8	Very high	91.4	Very high	121 Å²	121	95.7 Å²	95.7	46%	0.457	48%	0.484	S	S	.	.	H	α-helix	trans	-70.8	-50.3	177.4	-178.7	-175	177.1	163.9	7.8	112.5	T214 L218 R219 Q220 W638	T214-R216 PolarHBondContact O-N 2.95Å; T214-R216 VanDerWaalsContact O-N 3.09Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 2.99Å; R216-R219 PolarHBondContact O-N 3.28Å; R216-Q220 PolarHBondContact O-N 3.31Å; R216-W638 VanDerWaalsContact NH1-NE1 3.16Å
217	D	91	Very high	91.6	Very high	39 Å²	39	94.6 Å²	94.6	21%	0.209	47%	0.474	C	S	.	.	H	α-helix	trans	-64	-40.7	-179.1	-60.8	-51.7	0	0	0	110.1	R212 T214 Q220 V221	R212-D217 WeakPolarHBondContact CB-OD2 3.45Å; R212-D217 WeakPolarHBondContact O-CB 3.48Å; T214-D217 WeakPolarHBondContact CB-OD2 3.12Å; T214-D217 WeakPolarHBondContact CG2-OD2 2.92Å; T214-D217 PolarHBondContact O-N 3.08Å; T214-D217 VanDerWaalsContact O-N 3.15Å; T214-D217 PolarHBondContact OG1-N 2.95Å; T214-D217 VanDerWaalsContact OG1-N 3.17Å; T214-D217 PolarHBondContact OG1-OD2 2.81Å; D217-Q220 PolarHBondContact O-N 3.22Å; D217-V221 PolarHBondContact O-N 2.65Å
218	L	93.1	Very high	91.7	Very high	96 Å²	96	92.6 Å²	92.6	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-63.6	-40.3	173.4	-67.9	174.9	0	0	0	112.4	T214 R216 V221 H222	T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 WeakPolarHBondContact O-CG 3.39Å; T214-L218 PolarHBondContact O-N 2.9Å; R216-L218 VanDerWaalsContact C-N 3.3Å; R216-L218 PolarHBondContact O-N 2.99Å; L218-V221 PolarHBondContact O-N 3.43Å; L218-H222 WeakPolarHBondContact O-CB 3.38Å; L218-H222 PolarHBondContact O-N 3.03Å
219	R	94.1	Very high	92	Very high	158 Å²	158	86.5 Å²	86.5	60%	0.596	44%	0.436	S	S	*	.	H	α-helix	trans	-64.3	-40.6	176.1	-172.1	178.5	-54.3	-85	-2.2	111.9	A215 R216 V221 H222 D223	A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 PolarHBondContact O-N 3.1Å; R216-R219 PolarHBondContact O-N 3.28Å; R219-V221 VanDerWaalsContact C-N 3.34Å; R219-V221 PolarHBondContact O-N 3.36Å; R219-H222 PolarHBondContact O-N 3.45Å; R219-D223 WeakPolarHBondContact CG-OD2 3.33Å; R219-D223 WeakPolarHBondContact O-CB 3.32Å; R219-D223 PolarHBondContact O-N 2.87Å
220	Q	92	Very high	92.3	Very high	119 Å²	119	86.4 Å²	86.4	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-61.7	-42.4	176.5	-175.7	176.1	-2	0	0	112.1	R216 D217 T224	R216-Q220 PolarHBondContact O-N 3.31Å; D217-Q220 PolarHBondContact O-N 3.22Å; Q220-T224 WeakPolarHBondContact O-CB 3.4Å; Q220-T224 PolarHBondContact O-N 3.43Å; Q220-T224 VanDerWaalsContact O-N 3.08Å; Q220-T224 PolarHBondContact O-OG1 2.83Å
221	V	93.4	Very high	92.5	Very high	46 Å²	46	85.3 Å²	85.3	28%	0.279	43%	0.425	S	S	.	.	H	α-helix	trans	-64.8	-48.6	174.6	174.7	0	0	0	0	110.7	T207 C210 D217 L218 R219 D223 T224 V225	T207-V221 HydrophobicContact CG2-CG1 4.35Å; C210-V221 HydrophobicContact CB-CG2 4.01Å; D217-V221 PolarHBondContact O-N 2.65Å; L218-V221 PolarHBondContact O-N 3.43Å; R219-V221 VanDerWaalsContact C-N 3.34Å; R219-V221 PolarHBondContact O-N 3.36Å; V221-D223 PolarHBondContact O-N 3.31Å; V221-T224 PolarHBondContact O-N 3.43Å; V221-V225 HydrophobicContact CG1-CG2 4.37Å; V221-V225 WeakPolarHBondContact O-CG2 3.44Å; V221-V225 PolarHBondContact O-N 3.45Å
222	H	94.7	Very high	92.7	Very high	110 Å²	110	78.9 Å²	78.9	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-54.8	-51	176.7	169.3	-85.2	0	0	0	111.9	L218 R219 T224 V225 A226	L218-H222 WeakPolarHBondContact O-CB 3.38Å; L218-H222 PolarHBondContact O-N 3.03Å; R219-H222 PolarHBondContact O-N 3.45Å; H222-T224 VanDerWaalsContact C-N 3.32Å; H222-T224 PolarHBondContact O-N 2.96Å; H222-V225 PolarHBondContact O-N 3.39Å; H222-A226 WeakPolarHBondContact O-CB 3.38Å; H222-A226 PolarHBondContact O-N 3.45Å
223	D	94.3	Very high	93.1	Very high	81 Å²	81	73.5 Å²	73.5	43%	0.433	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-35.9	-175.9	-65.9	-11.6	0	0	0	111.5	R219 V221 R227	R219-D223 WeakPolarHBondContact CG-OD2 3.33Å; R219-D223 WeakPolarHBondContact O-CB 3.32Å; R219-D223 PolarHBondContact O-N 2.87Å; V221-D223 PolarHBondContact O-N 3.31Å; D223-R227 WeakPolarHBondContact O-CB 3.4Å; D223-R227 PolarHBondContact O-N 2.95Å
224	T	93.8	Very high	93.2	Very high	40 Å²	40	71.6 Å²	71.6	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-46.6	175.4	-58.3	0	0	0	0	111.7	Q220 V221 H222 N228	Q220-T224 WeakPolarHBondContact O-CB 3.4Å; Q220-T224 PolarHBondContact O-N 3.43Å; Q220-T224 VanDerWaalsContact O-N 3.08Å; Q220-T224 PolarHBondContact O-OG1 2.83Å; V221-T224 PolarHBondContact O-N 3.43Å; H222-T224 VanDerWaalsContact C-N 3.32Å; H222-T224 PolarHBondContact O-N 2.96Å; T224-N228 PolarHBondContact O-N 3.43Å; T224-N228 PolarHBondContact O-ND2 2.78Å
225	V	94.5	Very high	93.1	Very high	57 Å²	57	70.3 Å²	70.3	35%	0.345	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-50.7	178.1	172.7	0	0	0	0	110.2	L204 T207 V221 H222 R227 N228 V229	L204-V225 HydrophobicContact CD2-CB 4.35Å; L204-V225 HydrophobicContact CD2-CG1 4.13Å; L204-V225 HydrophobicContact CD2-CG2 4.44Å; T207-V225 HydrophobicContact CG2-CG2 4.36Å; V221-V225 HydrophobicContact CG1-CG2 4.37Å; V221-V225 WeakPolarHBondContact O-CG2 3.44Å; V221-V225 PolarHBondContact O-N 3.45Å; H222-V225 PolarHBondContact O-N 3.39Å; V225-R227 PolarHBondContact O-N 3.46Å; V225-N228 PolarHBondContact O-N 3.42Å; V225-V229 HydrophobicContact CG1-CG2 4.2Å; V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.09Å
226	A	95.1	Very high	93.1	Very high	17 Å²	17	73.2 Å²	73.2	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-40.2	-178.4	0	0	0	0	0	112.5	H222 R230	H222-A226 WeakPolarHBondContact O-CB 3.38Å; H222-A226 PolarHBondContact O-N 3.45Å; A226-R230 WeakPolarHBondContact O-CB 3.19Å; A226-R230 WeakPolarHBondContact O-CG 3.14Å; A226-R230 PolarHBondContact O-N 3.21Å
227	R	94.3	Very high	93.1	Very high	111 Å²	111	68.6 Å²	68.6	42%	0.419	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-49.9	175.1	175.5	179.5	60	80.2	-1.3	111.5	E203 D223 V225 A231	E203-R227 IonicContact OE2-CZ 2.99Å; E203-R227 VanDerWaalsContact OE2-CZ 3.24Å; E203-R227 IonicContact OE2-NH1 3.79Å; E203-R227 PolarHBondContact OE2-NH1 2.94Å; E203-R227 IonicContact OE2-NH2 2.82Å; E203-R227 PolarHBondContact OE2-NH2 3.07Å; D223-R227 WeakPolarHBondContact O-CB 3.4Å; D223-R227 PolarHBondContact O-N 2.95Å; V225-R227 PolarHBondContact O-N 3.46Å; R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 2.93Å; R227-A231 VanDerWaalsContact O-N 3.08Å
228	N	94.4	Very high	93.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-70.3	-40.2	-177.5	-78.3	-67.4	0	0	0	112.3	H200 E203 L204 T224 V225 A231 L232	H200-N228 PolarHBondContact ND1-OD1 2.92Å; E203-N228 PolarHBondContact OE2-ND2 3.32Å; E203-N228 VanDerWaalsContact OE2-ND2 3.08Å; E203-N228 PolarHBondContact OE2-OD1 2.77Å; L204-N228 HydrophobicContact CD1-CB 4.1Å; L204-N228 HydrophobicContact CD2-CB 3.62Å; L204-N228 HydrophobicContact CG-CB 3.6Å; T224-N228 PolarHBondContact O-N 3.43Å; T224-N228 PolarHBondContact O-ND2 2.78Å; V225-N228 PolarHBondContact O-N 3.42Å; N228-A231 PolarHBondContact O-N 3.43Å; N228-L232 WeakPolarHBondContact O-CG 3.2Å; N228-L232 PolarHBondContact O-N 3.43Å
229	V	94.4	Very high	92.8	Very high	39 Å²	39	66 Å²	66	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-48.4	174.9	172.1	0	0	0	0	110.8	L204 V225 A231 L232 V233	L204-V229 HydrophobicContact CD1-CG2 4.35Å; L204-V229 HydrophobicContact CD2-CG2 4.31Å; V225-V229 HydrophobicContact CG1-CG2 4.2Å; V225-V229 WeakPolarHBondContact O-CG2 3.36Å; V225-V229 PolarHBondContact O-N 3.09Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.78Å; V229-L232 WeakPolarHBondContact O-CB 3.43Å; V229-L232 PolarHBondContact O-N 2.92Å; V229-V233 HydrophobicContact CG1-CG2 4.4Å; V229-V233 VanDerWaalsContact O-CG2 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.27Å; V229-V233 PolarHBondContact O-N 3.45Å
230	R	94.4	Very high	92.4	Very high	165 Å²	165	62.7 Å²	62.7	62%	0.623	34%	0.341	S	S	*	.	H	α-helix	trans	-60.7	-39.1	178	-71.2	175.9	-160	138.4	2.2	112.6	A226 V233 A234	A226-R230 WeakPolarHBondContact O-CB 3.19Å; A226-R230 WeakPolarHBondContact O-CG 3.14Å; A226-R230 PolarHBondContact O-N 3.21Å; R230-V233 PolarHBondContact O-N 2.84Å; R230-A234 PolarHBondContact O-N 2.99Å
231	A	93.2	Very high	91.9	Very high	24 Å²	24	62.5 Å²	62.5	20%	0.198	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-36.8	177.5	0	0	0	0	0	112.2	H200 R227 N228 V229 A234 L235	H200-A231 WeakPolarHBondContact CE1-CB 3.47Å; H200-A231 VanDerWaalsContact NE2-CB 3.3Å; H200-A231 WeakPolarHBondContact NE2-CB 3.5Å; R227-A231 WeakPolarHBondContact O-CB 3.47Å; R227-A231 PolarHBondContact O-N 2.93Å; R227-A231 VanDerWaalsContact O-N 3.08Å; N228-A231 PolarHBondContact O-N 3.43Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.78Å; A231-A234 PolarHBondContact O-N 3.19Å; A231-L235 WeakPolarHBondContact O-CG 3.44Å; A231-L235 PolarHBondContact O-N 3.25Å
232	L	93.5	Very high	91.1	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-41.9	172.5	-74.1	170.4	0	0	0	112.1	A197 H200 I201 L204 N228 V229 A234 L235 N236 K237 P239 L244	A197-L232 HydrophobicContact CB-CD2 4.05Å; H200-L232 HydrophobicContact CB-CD1 4.23Å; H200-L232 HydrophobicContact CB-CD2 3.83Å; H200-L232 HydrophobicContact CB-CG 3.77Å; I201-L232 HydrophobicContact CG1-CD1 4.3Å; I201-L232 HydrophobicContact CG1-CD2 4.21Å; L204-L232 HydrophobicContact CD1-CD1 3.63Å; N228-L232 WeakPolarHBondContact O-CG 3.2Å; N228-L232 PolarHBondContact O-N 3.43Å; V229-L232 WeakPolarHBondContact O-CB 3.43Å; V229-L232 PolarHBondContact O-N 2.92Å; L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 3.47Å; L232-L235 CarbonylContact O-C 3.48Å; L232-L235 WeakPolarHBondContact O-CA 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.4Å; L232-L235 PolarHBondContact O-N 2.93Å; L232-N236 PolarHBondContact O-N 3.09Å; L232-K237 CarbonylContact C-O 3.3Å; L232-K237 WeakPolarHBondContact CB-O 3.33Å; L232-K237 HydrophobicContact CD2-CB 4.43Å; L232-K237 CarbonylContact O-C 3.58Å; L232-K237 WeakPolarHBondContact O-CA 3.07Å; L232-K237 PolarHBondContact O-N 3.23Å; L232-P239 HydrophobicContact CD1-CG 4.25Å; L232-L244 HydrophobicContact CD1-CD2 4.31Å
233	V	93.1	Very high	90.6	Very high	61 Å²	61	67.3 Å²	67.3	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-57.2	-45.2	172.6	174	0	0	0	0	110.7	V229 R230 L235 N236 D238	V229-V233 HydrophobicContact CG1-CG2 4.4Å; V229-V233 VanDerWaalsContact O-CG2 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.27Å; V229-V233 PolarHBondContact O-N 3.45Å; R230-V233 PolarHBondContact O-N 2.84Å; V233-L235 PolarHBondContact O-N 2.87Å; V233-N236 PolarHBondContact O-N 2.76Å; V233-D238 HydrophobicContact CG2-CB 3.86Å
234	A	90.8	Very high	90.3	Very high	82 Å²	82	64.1 Å²	64.1	68%	0.678	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-20.9	176.8	0	0	0	0	0	113.6	R230 A231 L232 N236	R230-A234 PolarHBondContact O-N 2.99Å; A231-A234 PolarHBondContact O-N 3.19Å; L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 3.47Å; A234-N236 VanDerWaalsContact C-N 3.32Å
235	L	89.8	Confident	90	Very high	34 Å²	34	64.4 Å²	64.4	18%	0.178	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	11.8	173.4	-68.2	170	0	0	0	113.1	T132 I196 A197 A231 L232 V233 K237	T132-L235 HydrophobicContact CG2-CD2 4.16Å; I196-L235 HydrophobicContact CB-CD1 4.1Å; I196-L235 HydrophobicContact CG2-CD1 3.73Å; A197-L235 HydrophobicContact CB-CD1 4.25Å; A231-L235 WeakPolarHBondContact O-CG 3.44Å; A231-L235 PolarHBondContact O-N 3.25Å; L232-L235 CarbonylContact O-C 3.48Å; L232-L235 WeakPolarHBondContact O-CA 3.24Å; L232-L235 WeakPolarHBondContact O-CB 3.4Å; L232-L235 PolarHBondContact O-N 2.93Å; V233-L235 PolarHBondContact O-N 2.87Å; L235-K237 PolarHBondContact O-N 2.93Å
236	N	90.5	Very high	89.7	Confident	138 Å²	138	65 Å²	65	74%	0.738	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	32.5	-172.5	-56.5	-50.5	0	0	0	113.5	L232 V233 A234	L232-N236 PolarHBondContact O-N 3.09Å; V233-N236 PolarHBondContact O-N 2.76Å; A234-N236 VanDerWaalsContact C-N 3.32Å
237	K	90.2	Very high	89.3	Confident	24 Å²	24	65.8 Å²	65.8	10%	0.104	37%	0.373	C	S	.	.			trans	-125.3	53.7	177.3	-62.6	-165	-175	-163.3	0	110.5	N194 A197 L232 L235 P239 L244 E248	N194-K237 PolarHBondContact OD1-NZ 3.38Å; A197-K237 HydrophobicContact CB-CD 3.72Å; L232-K237 CarbonylContact C-O 3.3Å; L232-K237 WeakPolarHBondContact CB-O 3.33Å; L232-K237 HydrophobicContact CD2-CB 4.43Å; L232-K237 CarbonylContact O-C 3.58Å; L232-K237 WeakPolarHBondContact O-CA 3.07Å; L232-K237 PolarHBondContact O-N 3.23Å; L235-K237 PolarHBondContact O-N 2.93Å; K237-P239 VanDerWaalsContact O-CD 3.23Å; K237-P239 WeakPolarHBondContact O-CD 3.22Å; K237-L244 HydrophobicContact CB-CB 4.15Å; K237-L244 HydrophobicContact CB-CD1 4.14Å; K237-L244 HydrophobicContact CD-CD1 4.13Å; K237-E248 WeakPolarHBondContact CE-OE1 3.41Å; K237-E248 IonicContact NZ-OE1 3.32Å; K237-E248 PolarHBondContact NZ-OE1 2.93Å
238	D	91.1	Very high	89	Confident	24 Å²	24	62.8 Å²	62.8	13%	0.128	36%	0.364	C	S	.	.			trans	-63.1	116.9	175	-171.7	-7.7	0	0	0	111.2	V233 S240 N241 T243 L244	V233-D238 HydrophobicContact CG2-CB 3.86Å; D238-S240 PolarHBondContact O-N 3.4Å; D238-S240 VanDerWaalsContact OD1-CB 3.24Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 2.79Å; D238-S240 PolarHBondContact OD1-OG 3.16Å; D238-N241 HydrophobicContact CB-CB 4.34Å; D238-N241 PolarHBondContact OD2-ND2 3.08Å; D238-T243 WeakPolarHBondContact CA-OG1 3.32Å; D238-T243 WeakPolarHBondContact CB-OG1 3.44Å; D238-T243 PolarHBondContact N-OG1 3.32Å; D238-T243 PolarHBondContact O-OG1 3.04Å; D238-L244 PolarHBondContact O-N 3.05Å
239	P	86.6	Confident	88.9	Confident	56 Å²	56	65.7 Å²	65.7	36%	0.364	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.4	174.4	-18.4	31.9	0	0	0	114.2	L232 K237 L244	L232-P239 HydrophobicContact CD1-CG 4.25Å; K237-P239 VanDerWaalsContact O-CD 3.23Å; K237-P239 WeakPolarHBondContact O-CD 3.22Å; P239-L244 HydrophobicContact CB-CD2 4.3Å; P239-L244 HydrophobicContact CG-CD2 3.96Å
240	S	85.7	Confident	88.7	Confident	89 Å²	89	67.9 Å²	67.9	62%	0.622	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.3	-174.3	-32.5	0	0	0	0	113.3	D238	D238-S240 PolarHBondContact O-N 3.4Å; D238-S240 VanDerWaalsContact OD1-CB 3.24Å; D238-S240 WeakPolarHBondContact OD1-CB 3.38Å; D238-S240 PolarHBondContact OD1-N 2.79Å; D238-S240 PolarHBondContact OD1-OG 3.16Å
241	N	82.4	Confident	88.6	Confident	115 Å²	115	60.9 Å²	60.9	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	28.6	-171.6	-69.9	-36.8	0	0	0	112.6	D238 T243	D238-N241 HydrophobicContact CB-CB 4.34Å; D238-N241 PolarHBondContact OD2-ND2 3.08Å; N241-T243 PolarHBondContact O-N 2.96Å
242	E	75.4	Confident	88.5	Confident	183 Å²	183	60 Å²	60	86%	0.855	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	1	176.5	-57.3	-175.3	174.1	0	0	116.9	L244	E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.02Å
243	T	86.2	Confident	88.5	Confident	74 Å²	74	62.1 Å²	62.1	45%	0.454	37%	0.368	S	S	.	.			trans	-68.2	-26.5	176.3	58.6	0	0	0	0	113.4	D238 N241	D238-T243 WeakPolarHBondContact CA-OG1 3.32Å; D238-T243 WeakPolarHBondContact CB-OG1 3.44Å; D238-T243 PolarHBondContact N-OG1 3.32Å; D238-T243 PolarHBondContact O-OG1 3.04Å; N241-T243 PolarHBondContact O-N 2.96Å
244	L	87.4	Confident	88.5	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	37%	0.368	C	S	.	.	S	Bend	trans	-92.3	111.6	166.6	178.9	65.6	0	0	0	109.3	I201 L232 K237 D238 P239 E242 E248 M249	I201-L244 HydrophobicContact CD1-CD1 3.85Å; I201-L244 HydrophobicContact CG1-CD2 4.38Å; L232-L244 HydrophobicContact CD1-CD2 4.31Å; K237-L244 HydrophobicContact CB-CB 4.15Å; K237-L244 HydrophobicContact CB-CD1 4.14Å; K237-L244 HydrophobicContact CD-CD1 4.13Å; D238-L244 PolarHBondContact O-N 3.05Å; P239-L244 HydrophobicContact CB-CD2 4.3Å; P239-L244 HydrophobicContact CG-CD2 3.96Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.02Å; L244-E248 HydrophobicContact CD1-CB 3.92Å; L244-M249 HydrophobicContact CD1-CG 4.5Å; L244-M249 HydrophobicContact CD2-CG 3.88Å; L244-M249 HydrophobicContact CD2-SD 4.09Å; L244-M249 HydrophobicContact CG-CG 4.07Å
245	S	87	Confident	88.6	Confident	46 Å²	46	59.4 Å²	59.4	32%	0.322	34%	0.339	S	S	.	.			trans	-73.7	148.4	-178.9	68.1	0	0	0	0	112	A247 E248 M249	S245-A247 PolarHBondContact O-N 3.29Å; S245-E248 PolarHBondContact N-OE2 2.86Å; S245-E248 PolarHBondContact O-N 3.04Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 VanDerWaalsContact OG-CG 3.24Å; S245-E248 WeakPolarHBondContact OG-CG 3.4Å; S245-E248 PolarHBondContact OG-N 3.45Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; S245-E248 PolarHBondContact OG-OE2 3.31Å; S245-M249 PolarHBondContact O-N 3.05Å
246	A	87.4	Confident	88.7	Confident	71 Å²	71	60.7 Å²	60.7	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-57.8	-31.1	170.4	0	0	0	0	0	111.8	M249 L250	A246-M249 PolarHBondContact O-N 3.27Å; A246-L250 WeakPolarHBondContact O-CB 3.29Å; A246-L250 VanDerWaalsContact O-CG 3.29Å; A246-L250 WeakPolarHBondContact O-CG 3.46Å; A246-L250 PolarHBondContact O-N 2.99Å
247	A	87.9	Confident	88.8	Confident	33 Å²	33	62 Å²	62	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-60.6	-47.5	175	0	0	0	0	0	111.7	S245 M249 L250 L251 L280	S245-A247 PolarHBondContact O-N 3.29Å; A247-M249 VanDerWaalsContact C-N 3.33Å; A247-M249 PolarHBondContact O-N 3Å; A247-L250 PolarHBondContact O-N 3.25Å; A247-L251 WeakPolarHBondContact O-CB 3.39Å; A247-L251 VanDerWaalsContact O-CG 3.22Å; A247-L251 WeakPolarHBondContact O-CG 3.33Å; A247-L251 PolarHBondContact O-N 3.47Å; A247-L280 HydrophobicContact CB-CB 4.4Å
248	E	88.6	Confident	89	Confident	48 Å²	48	62.2 Å²	62.2	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-40.6	177.5	-74.5	167.9	105	0	0	112.5	K237 L244 S245 L251 A252	K237-E248 WeakPolarHBondContact CE-OE1 3.41Å; K237-E248 IonicContact NZ-OE1 3.32Å; K237-E248 PolarHBondContact NZ-OE1 2.93Å; L244-E248 HydrophobicContact CD1-CB 3.92Å; S245-E248 PolarHBondContact N-OE2 2.86Å; S245-E248 PolarHBondContact O-N 3.04Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 VanDerWaalsContact OG-CG 3.24Å; S245-E248 WeakPolarHBondContact OG-CG 3.4Å; S245-E248 PolarHBondContact OG-N 3.45Å; S245-E248 VanDerWaalsContact OG-N 3.13Å; S245-E248 PolarHBondContact OG-OE2 3.31Å; E248-L251 PolarHBondContact O-N 3.29Å; E248-A252 WeakPolarHBondContact O-CB 3.26Å; E248-A252 PolarHBondContact O-N 3.18Å
249	M	90.4	Very high	89	Confident	60 Å²	60	65 Å²	65	30%	0.296	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-46.3	176.1	-64.5	-176.8	73.4	0	0	111.7	I201 M205 L244 S245 A246 A247 A252 V253	I201-M249 HydrophobicContact CG2-CB 4.48Å; I201-M249 HydrophobicContact CG2-CG 4.48Å; M205-M249 HydrophobicContact CE-CE 3.66Å; M205-M249 HydrophobicContact SD-CE 4.42Å; L244-M249 HydrophobicContact CD1-CG 4.5Å; L244-M249 HydrophobicContact CD2-CG 3.88Å; L244-M249 HydrophobicContact CD2-SD 4.09Å; L244-M249 HydrophobicContact CG-CG 4.07Å; S245-M249 PolarHBondContact O-N 3.05Å; A246-M249 PolarHBondContact O-N 3.27Å; A247-M249 VanDerWaalsContact C-N 3.33Å; A247-M249 PolarHBondContact O-N 3Å; M249-A252 PolarHBondContact O-N 3.12Å; M249-V253 WeakPolarHBondContact O-CG2 3.29Å; M249-V253 PolarHBondContact O-N 3.44Å
250	L	91.7	Very high	89.2	Confident	85 Å²	85	64.5 Å²	64.5	45%	0.445	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-44.7	177.3	-73.7	172	0	0	0	111.2	A246 A247 A252 V253 L254 L280	A246-L250 WeakPolarHBondContact O-CB 3.29Å; A246-L250 VanDerWaalsContact O-CG 3.29Å; A246-L250 WeakPolarHBondContact O-CG 3.46Å; A246-L250 PolarHBondContact O-N 2.99Å; A247-L250 PolarHBondContact O-N 3.25Å; L250-A252 PolarHBondContact O-N 2.97Å; L250-V253 PolarHBondContact O-N 3.42Å; L250-L254 HydrophobicContact CB-CD1 4.26Å; L250-L254 VanDerWaalsContact O-CB 3.25Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.97Å; L250-L280 HydrophobicContact CD1-CD2 4.43Å
251	L	91.5	Very high	89.4	Confident	19 Å²	19	65.3 Å²	65.3	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-58.8	-46.8	178.1	-74.5	173.9	0	0	0	111.5	A247 E248 V253 K255 W266 L278 L280 F283	A247-L251 WeakPolarHBondContact O-CB 3.39Å; A247-L251 VanDerWaalsContact O-CG 3.22Å; A247-L251 WeakPolarHBondContact O-CG 3.33Å; A247-L251 PolarHBondContact O-N 3.47Å; E248-L251 PolarHBondContact O-N 3.29Å; L251-V253 VanDerWaalsContact C-N 3.31Å; L251-V253 PolarHBondContact O-N 3.12Å; L251-K255 WeakPolarHBondContact O-CB 3.29Å; L251-K255 PolarHBondContact O-N 3.19Å; L251-W266 HydrophobicContact CD2-CZ2 4.36Å; L251-L278 WeakPolarHBondContact CD1-O 3.32Å; L251-L280 HydrophobicContact CD2-CD1 4.13Å; L251-F283 HydrophobicContact CD2-CB 3.32Å; L251-F283 HydrophobicContact CD2-CD1 3.88Å; L251-F283 HydrophobicContact CD2-CD2 3.93Å; L251-F283 HydrophobicContact CD2-CG 3.44Å; L251-F283 VanDerWaalsContact CD2-CG 3.44Å
252	A	91.9	Very high	89.8	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-45.3	177	0	0	0	0	0	111.6	E198 I201 E248 M249 L250 Q256	E198-A252 HydrophobicContact CG-CB 3.88Å; I201-A252 HydrophobicContact CB-CB 4.22Å; I201-A252 HydrophobicContact CD1-CB 4.46Å; I201-A252 HydrophobicContact CG2-CB 3.72Å; E248-A252 WeakPolarHBondContact O-CB 3.26Å; E248-A252 PolarHBondContact O-N 3.18Å; M249-A252 PolarHBondContact O-N 3.12Å; L250-A252 PolarHBondContact O-N 2.97Å; A252-Q256 WeakPolarHBondContact O-CG 3.33Å
253	V	93.3	Very high	90.7	Very high	45 Å²	45	55.1 Å²	55.1	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-74.8	-47.8	-178.3	176.4	0	0	0	0	112.6	M205 M249 L250 L251 K255 Q256	M205-V253 HydrophobicContact CB-CG2 4.22Å; M205-V253 HydrophobicContact CG-CG2 3.7Å; M205-V253 HydrophobicContact SD-CG2 4.46Å; M249-V253 WeakPolarHBondContact O-CG2 3.29Å; M249-V253 PolarHBondContact O-N 3.44Å; L250-V253 PolarHBondContact O-N 3.42Å; L251-V253 VanDerWaalsContact C-N 3.31Å; L251-V253 PolarHBondContact O-N 3.12Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.3Å; V253-Q256 WeakPolarHBondContact O-CB 3.47Å; V253-Q256 PolarHBondContact O-N 3.28Å; V253-Q256 VanDerWaalsContact O-N 3.09Å
254	L	93	Very high	91	Very high	69 Å²	69	58.4 Å²	58.4	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-39.1	-176.9	-69.4	173.2	0	0	0	111.4	L250 Q256 K257 L280 F283	L250-L254 HydrophobicContact CB-CD1 4.26Å; L250-L254 VanDerWaalsContact O-CB 3.25Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.97Å; L254-Q256 PolarHBondContact O-N 3.17Å; L254-K257 WeakPolarHBondContact O-CB 3.41Å; L254-K257 PolarHBondContact O-N 3.4Å; L254-L280 HydrophobicContact CD1-CD1 4.3Å; L254-F283 HydrophobicContact CB-CE1 3.81Å; L254-F283 HydrophobicContact CB-CZ 4.02Å; L254-F283 HydrophobicContact CD1-CE1 4.16Å
255	K	91.7	Very high	91.2	Very high	16 Å²	16	62.4 Å²	62.4	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-53.7	-36.3	172.4	176.2	-178.6	158.6	178.3	0	112.6	E198 L251 V253 K257 L258 R263 D267	E198-K255 VanDerWaalsContact CD-NZ 3.31Å; E198-K255 WeakPolarHBondContact OE1-CD 3.36Å; E198-K255 VanDerWaalsContact OE1-CE 3.23Å; E198-K255 WeakPolarHBondContact OE1-CE 3.35Å; E198-K255 IonicContact OE1-NZ 3.21Å; E198-K255 PolarHBondContact OE1-NZ 2.78Å; E198-K255 IonicContact OE2-NZ 3.86Å; E198-K255 PolarHBondContact OE2-NZ 2.63Å; L251-K255 WeakPolarHBondContact O-CB 3.29Å; L251-K255 PolarHBondContact O-N 3.19Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.3Å; K255-K257 VanDerWaalsContact C-N 3.26Å; K255-K257 PolarHBondContact O-N 2.99Å; K255-L258 PolarHBondContact O-N 3.31Å; K255-R263 HydrophobicContact CD-CG 4.45Å; K255-R263 HydrophobicContact CG-CG 3.78Å; K255-R263 PolarHBondContact O-NE 3.41Å; K255-D267 WeakPolarHBondContact CE-OD1 3.36Å; K255-D267 IonicContact NZ-OD1 2.69Å; K255-D267 PolarHBondContact NZ-OD1 2.99Å; K255-D267 IonicContact NZ-OD2 3.96Å
256	Q	92.9	Very high	91.4	Very high	62 Å²	62	60.8 Å²	60.8	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-72.4	-17.3	178.1	-59.6	-54.1	-40.3	0	0	113.7	E198 L202 A252 V253 L254 R263	E198-Q256 PolarHBondContact OE1-NE2 3.32Å; L202-Q256 HydrophobicContact CD1-CG 4.01Å; L202-Q256 HydrophobicContact CD2-CG 3.57Å; L202-Q256 HydrophobicContact CG-CG 4.46Å; A252-Q256 WeakPolarHBondContact O-CG 3.33Å; V253-Q256 WeakPolarHBondContact O-CB 3.47Å; V253-Q256 PolarHBondContact O-N 3.28Å; V253-Q256 VanDerWaalsContact O-N 3.09Å; L254-Q256 PolarHBondContact O-N 3.17Å; Q256-R263 PolarHBondContact O-NH2 2.61Å
257	K	93.4	Very high	91.5	Very high	166 Å²	166	59.7 Å²	59.7	72%	0.722	30%	0.3	S	S	*	.	H	α-helix	trans	-81.4	-16.1	175.9	-56	-61	-177.6	177.9	0	113	L254 K255	L254-K257 WeakPolarHBondContact O-CB 3.41Å; L254-K257 PolarHBondContact O-N 3.4Å; K255-K257 VanDerWaalsContact C-N 3.26Å; K255-K257 PolarHBondContact O-N 2.99Å
258	L	93.2	Very high	91.5	Very high	27 Å²	27	61.8 Å²	61.8	14%	0.141	31%	0.313	C	S	.	.	S	Bend	trans	-77.5	146	179.6	-56	-180	0	0	0	112.3	K255 V262 R263 F283 F286 L287	K255-L258 PolarHBondContact O-N 3.31Å; L258-V262 HydrophobicContact CB-CB 4.38Å; L258-V262 HydrophobicContact CB-CG1 4.45Å; L258-V262 HydrophobicContact CD1-CG1 4.08Å; L258-R263 PolarHBondContact O-NH2 3.04Å; L258-F283 HydrophobicContact CD1-CE2 3.87Å; L258-F283 HydrophobicContact CD1-CZ 3.88Å; L258-F283 HydrophobicContact CG-CZ 4.49Å; L258-F286 HydrophobicContact CD1-CE1 4.47Å; L258-L287 HydrophobicContact CD1-CD2 3.88Å; L258-L287 HydrophobicContact CD2-CD2 3.62Å; L258-L287 HydrophobicContact CG-CD2 4.41Å
259	P	92.1	Very high	91.4	Very high	84 Å²	84	62 Å²	62	55%	0.545	31%	0.313	S	S	.	.			trans	-54.9	148.2	168.3	-23.8	33.7	0	0	0	111.7	I261 V262 R263	P259-I261 HydrophobicContact CB-CG2 4.48Å; P259-I261 PolarHBondContact O-N 3.34Å; P259-V262 HydrophobicContact CB-CG2 4.45Å; P259-V262 HydrophobicContact CG-CG2 4.49Å; P259-V262 PolarHBondContact O-N 3Å; P259-R263 PolarHBondContact O-N 2.81Å
260	S	89.7	Confident	91.1	Very high	45 Å²	45	61 Å²	61	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-28.2	-173.6	54.9	0	0	0	0	114.3	K264 R429	S260-K264 VanDerWaalsContact O-CG 3.26Å; S260-K264 WeakPolarHBondContact O-CG 3.5Å; S260-K264 PolarHBondContact O-N 2.67Å; S260-R429 PolarHBondContact OG-NH1 3.25Å; S260-R429 PolarHBondContact OG-NH2 3.22Å
261	I	89.6	Confident	90.7	Very high	106 Å²	106	62.3 Å²	62.3	54%	0.544	32%	0.317	S	S	.	.	H	α-helix	trans	-71.9	-42.1	177.9	-167.7	155.7	0	0	0	112	P259 K264 R265	P259-I261 HydrophobicContact CB-CG2 4.48Å; P259-I261 PolarHBondContact O-N 3.34Å; I261-K264 PolarHBondContact O-N 3.29Å; I261-R265 PolarHBondContact O-N 2.99Å
262	V	92.4	Very high	90.2	Very high	22 Å²	22	65.6 Å²	65.6	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-69.6	-42	177.8	-176.5	0	0	0	0	110.2	L258 P259 K264 R265 W266 F286 Q290	L258-V262 HydrophobicContact CB-CB 4.38Å; L258-V262 HydrophobicContact CB-CG1 4.45Å; L258-V262 HydrophobicContact CD1-CG1 4.08Å; P259-V262 HydrophobicContact CB-CG2 4.45Å; P259-V262 HydrophobicContact CG-CG2 4.49Å; P259-V262 PolarHBondContact O-N 3Å; V262-K264 VanDerWaalsContact C-N 3.32Å; V262-K264 PolarHBondContact O-N 2.87Å; V262-R265 WeakPolarHBondContact O-CB 3.11Å; V262-R265 PolarHBondContact O-N 3.32Å; V262-R265 VanDerWaalsContact O-N 3.08Å; V262-W266 PolarHBondContact O-N 2.98Å; V262-F286 HydrophobicContact CG1-CE1 3.83Å; V262-F286 HydrophobicContact CG1-CZ 3.93Å; V262-Q290 HydrophobicContact CG1-CG 4.03Å
263	R	92.7	Very high	89.4	Confident	61 Å²	61	68.3 Å²	68.3	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-57.2	-43.1	175.2	-169	-177.4	-51.3	167.1	6.9	112.7	K255 Q256 L258 P259 R265 W266 D267	K255-R263 HydrophobicContact CD-CG 4.45Å; K255-R263 HydrophobicContact CG-CG 3.78Å; K255-R263 PolarHBondContact O-NE 3.41Å; Q256-R263 PolarHBondContact O-NH2 2.61Å; L258-R263 PolarHBondContact O-NH2 3.04Å; P259-R263 PolarHBondContact O-N 2.81Å; R263-R265 VanDerWaalsContact C-N 3.31Å; R263-R265 PolarHBondContact O-N 3.11Å; R263-W266 WeakPolarHBondContact O-CB 3.11Å; R263-W266 PolarHBondContact O-N 3.2Å; R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 2.75Å
264	K	92.1	Very high	88.1	Confident	144 Å²	144	69 Å²	69	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-61.6	-37.8	176	-76.5	175.6	179.4	-166.9	0	112.5	S260 I261 V262 D267 S268	S260-K264 VanDerWaalsContact O-CG 3.26Å; S260-K264 WeakPolarHBondContact O-CG 3.5Å; S260-K264 PolarHBondContact O-N 2.67Å; I261-K264 PolarHBondContact O-N 3.29Å; V262-K264 VanDerWaalsContact C-N 3.32Å; V262-K264 PolarHBondContact O-N 2.87Å; K264-D267 PolarHBondContact O-N 3.28Å; K264-S268 WeakPolarHBondContact O-CB 3.17Å; K264-S268 PolarHBondContact O-N 3.13Å; K264-S268 PolarHBondContact O-OG 2.68Å
265	R	91.8	Very high	86.8	Confident	97 Å²	97	71.7 Å²	71.7	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-43.3	175.8	-69.3	177	177.5	166.4	0.3	111	I261 V262 R263 S268 K269 F286	I261-R265 PolarHBondContact O-N 2.99Å; V262-R265 WeakPolarHBondContact O-CB 3.11Å; V262-R265 PolarHBondContact O-N 3.32Å; V262-R265 VanDerWaalsContact O-N 3.08Å; R263-R265 VanDerWaalsContact C-N 3.31Å; R263-R265 PolarHBondContact O-N 3.11Å; R265-S268 WeakPolarHBondContact O-CB 3.33Å; R265-S268 PolarHBondContact O-N 3.25Å; R265-K269 PolarHBondContact O-N 3.42Å; R265-F286 HydrophobicContact CB-CE2 4.01Å; R265-F286 HydrophobicContact CB-CZ 3.98Å
266	W	91.8	Very high	85.4	Confident	11 Å²	11	79.3 Å²	79.3	4%	0.042	41%	0.412	C	S	.	.	H	α-helix	trans	-57.9	-52.1	172.3	177.6	-107.2	0	0	0	111.2	L251 V262 R263 S268 K269 V270 F283 F286	L251-W266 HydrophobicContact CD2-CZ2 4.36Å; V262-W266 PolarHBondContact O-N 2.98Å; R263-W266 WeakPolarHBondContact O-CB 3.11Å; R263-W266 PolarHBondContact O-N 3.2Å; W266-S268 PolarHBondContact O-N 3.15Å; W266-S268 VanDerWaalsContact O-N 3.17Å; W266-K269 HydrophobicContact CE3-CD 4.35Å; W266-K269 HydrophobicContact CZ3-CD 4.12Å; W266-K269 WeakPolarHBondContact O-CA 3.34Å; W266-K269 WeakPolarHBondContact O-CB 3.42Å; W266-K269 PolarHBondContact O-N 2.95Å; W266-V270 HydrophobicContact CD2-CG2 4.04Å; W266-V270 HydrophobicContact CG-CG2 4.33Å; W266-V270 HydrophobicContact CZ2-CG2 3.86Å; W266-V270 WeakPolarHBondContact O-CG2 3.49Å; W266-V270 PolarHBondContact O-N 3.15Å; W266-F283 AromaticContact CD2-CD2 3.73Å; W266-F283 HydrophobicContact CD2-CD2 3.73Å; W266-F283 HydrophobicContact CD2-CE2 4.15Å; W266-F283 AromaticContact CE2-CD2 3.6Å; W266-F283 AromaticContact CE3-CD2 3.88Å; W266-F283 HydrophobicContact CE3-CD2 3.88Å; W266-F283 HydrophobicContact CG-CD2 4.45Å; W266-F283 HydrophobicContact CG-CE2 4.43Å; W266-F283 VanDerWaalsContact CH2-CA 3.48Å; W266-F283 HydrophobicContact CH2-CB 3.59Å; W266-F283 AromaticContact CH2-CD2 3.78Å; W266-F283 HydrophobicContact CH2-CD2 3.78Å; W266-F283 HydrophobicContact CH2-CG 4.2Å; W266-F283 HydrophobicContact CZ2-CB 4Å; W266-F283 AromaticContact CZ2-CD2 3.63Å; W266-F283 HydrophobicContact CZ2-CD2 3.63Å; W266-F283 HydrophobicContact CZ2-CG 4.28Å; W266-F283 HydrophobicContact CZ3-CB 4.1Å; W266-F283 AromaticContact CZ3-CD2 3.9Å; W266-F283 HydrophobicContact CZ3-CD2 3.9Å; W266-F283 HydrophobicContact CZ3-CG 4.49Å; W266-F286 HydrophobicContact CB-CD1 4.31Å; W266-F286 HydrophobicContact CB-CE1 3.71Å; W266-F286 HydrophobicContact CB-CE2 4.37Å; W266-F286 HydrophobicContact CB-CZ 3.74Å; W266-F286 HydrophobicContact CD2-CD1 4.22Å; W266-F286 HydrophobicContact CD2-CE1 4.49Å; W266-F286 HydrophobicContact CD2-CG 4.5Å; W266-F286 HydrophobicContact CE3-CB 3.67Å; W266-F286 AromaticContact CE3-CD1 3.46Å; W266-F286 HydrophobicContact CE3-CD1 3.46Å; W266-F286 VanDerWaalsContact CE3-CD1 3.46Å; W266-F286 AromaticContact CE3-CD2 3.93Å; W266-F286 HydrophobicContact CE3-CD2 3.93Å; W266-F286 HydrophobicContact CE3-CE1 4.06Å; W266-F286 HydrophobicContact CE3-CE2 4.46Å; W266-F286 AromaticContact CE3-CG 3.39Å; W266-F286 HydrophobicContact CE3-CG 3.39Å; W266-F286 HydrophobicContact CG-CE1 4.41Å; W266-F286 HydrophobicContact CZ3-CB 3.53Å; W266-F286 HydrophobicContact CZ3-CD1 4.16Å; W266-F286 AromaticContact CZ3-CG 3.84Å; W266-F286 HydrophobicContact CZ3-CG 3.84Å
267	D	88.9	Confident	84.1	Confident	48 Å²	48	81.2 Å²	81.2	26%	0.257	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-31.1	178.7	-68.4	-24.2	0	0	0	112.7	K255 R263 K264 L271	K255-D267 WeakPolarHBondContact CE-OD1 3.36Å; K255-D267 IonicContact NZ-OD1 2.69Å; K255-D267 PolarHBondContact NZ-OD1 2.99Å; K255-D267 IonicContact NZ-OD2 3.96Å; R263-D267 VanDerWaalsContact O-CG 3.31Å; R263-D267 PolarHBondContact O-N 2.75Å; K264-D267 PolarHBondContact O-N 3.28Å; D267-L271 WeakPolarHBondContact O-CB 3.34Å; D267-L271 WeakPolarHBondContact O-CD1 3.11Å; D267-L271 WeakPolarHBondContact O-CG 3.36Å; D267-L271 PolarHBondContact O-N 3.37Å; D267-L271 VanDerWaalsContact O-N 3.08Å
268	S	88.1	Confident	83.3	Confident	78 Å²	78	75 Å²	75	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-70.3	-39.9	174.4	-54.8	0	0	0	0	111.9	K264 R265 W266 L271 A272	K264-S268 WeakPolarHBondContact O-CB 3.17Å; K264-S268 PolarHBondContact O-N 3.13Å; K264-S268 PolarHBondContact O-OG 2.68Å; R265-S268 WeakPolarHBondContact O-CB 3.33Å; R265-S268 PolarHBondContact O-N 3.25Å; W266-S268 PolarHBondContact O-N 3.15Å; W266-S268 VanDerWaalsContact O-N 3.17Å; S268-L271 PolarHBondContact O-N 3.41Å; S268-A272 PolarHBondContact O-N 2.78Å
269	K	86.8	Confident	82.9	Confident	51 Å²	51	76.6 Å²	76.6	22%	0.222	41%	0.406	C	S	.	.	H	α-helix	trans	-61.8	-49.8	173.4	-173.9	-179.6	176.5	-174.4	0	110.4	R265 W266 L271 A272 E273 A282 F286	R265-K269 PolarHBondContact O-N 3.42Å; W266-K269 HydrophobicContact CE3-CD 4.35Å; W266-K269 HydrophobicContact CZ3-CD 4.12Å; W266-K269 WeakPolarHBondContact O-CA 3.34Å; W266-K269 WeakPolarHBondContact O-CB 3.42Å; W266-K269 PolarHBondContact O-N 2.95Å; K269-L271 VanDerWaalsContact C-N 3.27Å; K269-L271 PolarHBondContact O-N 3.32Å; K269-A272 PolarHBondContact O-N 2.84Å; K269-E273 WeakPolarHBondContact CE-OE1 3.46Å; K269-E273 WeakPolarHBondContact CE-OE2 3.4Å; K269-E273 VanDerWaalsContact CG-CD 3.46Å; K269-E273 HydrophobicContact CG-CG 4.36Å; K269-E273 WeakPolarHBondContact CG-OE1 3.44Å; K269-E273 WeakPolarHBondContact CG-OE2 3.46Å; K269-E273 IonicContact NZ-OE1 3.79Å; K269-E273 WeakPolarHBondContact O-CB 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å; K269-A282 PolarHBondContact NZ-O 3.4Å; K269-F286 HydrophobicContact CD-CB 4.43Å; K269-F286 HydrophobicContact CD-CD2 4.18Å
270	V	85.1	Confident	82.8	Confident	39 Å²	39	75.1 Å²	75.1	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-59.5	-33.2	177.9	173.2	0	0	0	0	113.5	W266 A272 L278	W266-V270 HydrophobicContact CD2-CG2 4.04Å; W266-V270 HydrophobicContact CG-CG2 4.33Å; W266-V270 HydrophobicContact CZ2-CG2 3.86Å; W266-V270 WeakPolarHBondContact O-CG2 3.49Å; W266-V270 PolarHBondContact O-N 3.15Å; V270-A272 VanDerWaalsContact C-N 3.34Å; V270-L278 HydrophobicContact CB-CD2 3.9Å; V270-L278 HydrophobicContact CG1-CD1 3.87Å; V270-L278 HydrophobicContact CG1-CD2 3.73Å; V270-L278 HydrophobicContact CG1-CG 4.48Å; V270-L278 HydrophobicContact CG2-CD2 3.51Å
271	L	81.9	Confident	82.9	Confident	114 Å²	114	78.1 Å²	78.1	60%	0.597	41%	0.406	S	S	*	.	H	α-helix	trans	-78.2	-19.9	176.9	-74.1	169.9	0	0	0	113.5	D267 S268 K269	D267-L271 WeakPolarHBondContact O-CB 3.34Å; D267-L271 WeakPolarHBondContact O-CD1 3.11Å; D267-L271 WeakPolarHBondContact O-CG 3.36Å; D267-L271 PolarHBondContact O-N 3.37Å; D267-L271 VanDerWaalsContact O-N 3.08Å; S268-L271 PolarHBondContact O-N 3.41Å; K269-L271 VanDerWaalsContact C-N 3.27Å; K269-L271 PolarHBondContact O-N 3.32Å
272	A	82.5	Confident	82.9	Confident	87 Å²	87	73.6 Å²	73.6	72%	0.719	38%	0.384	S	S	*	.	H	α-helix	trans	-91.6	-29.6	179	0	0	0	0	0	112.5	S268 K269 V270	S268-A272 PolarHBondContact O-N 2.78Å; K269-A272 PolarHBondContact O-N 2.84Å; V270-A272 VanDerWaalsContact C-N 3.34Å
273	E	74.2	Confident	83	Confident	63 Å²	63	72.7 Å²	72.7	29%	0.294	38%	0.379	S	S	.	.	S	Bend	trans	-95.3	159.9	-174.8	-70.8	177.1	-174.5	0	0	112.7	K269 E277	K269-E273 WeakPolarHBondContact CE-OE1 3.46Å; K269-E273 WeakPolarHBondContact CE-OE2 3.4Å; K269-E273 VanDerWaalsContact CG-CD 3.46Å; K269-E273 HydrophobicContact CG-CG 4.36Å; K269-E273 WeakPolarHBondContact CG-OE1 3.44Å; K269-E273 WeakPolarHBondContact CG-OE2 3.46Å; K269-E273 IonicContact NZ-OE1 3.79Å; K269-E273 WeakPolarHBondContact O-CB 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å; E273-E277 HydrophobicContact CB-CB 4.32Å; E273-E277 VanDerWaalsContact CB-OE2 3.27Å; E273-E277 WeakPolarHBondContact CB-OE2 3.47Å; E273-E277 VanDerWaalsContact CG-OE2 3.25Å; E273-E277 WeakPolarHBondContact CG-OE2 3.33Å
274	S	66.9	Low	83	Confident	58 Å²	58	74.3 Å²	74.3	41%	0.406	39%	0.391	S	S	.	.			trans	-73.2	161.8	177.5	79.8	0	0	0	0	111	E276 E277	S274-E276 PolarHBondContact O-N 3.33Å; S274-E276 PolarHBondContact OG-N 3.02Å; S274-E277 PolarHBondContact O-N 3.02Å
275	Q	64.1	Low	83.1	Confident	127 Å²	127	73.9 Å²	73.9	59%	0.593	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28	178	-69	-168.2	-33.5	0	0	113	N194 E277 L278	N194-Q275 PolarHBondContact ND2-NE2 2.95Å; N194-Q275 PolarHBondContact OD1-NE2 3.32Å; Q275-E277 PolarHBondContact O-N 2.74Å; Q275-L278 PolarHBondContact O-N 3.26Å
276	E	62.8	Low	83.2	Confident	176 Å²	176	69.8 Å²	69.8	82%	0.822	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-69.8	-21.2	-178.6	-64	179.4	174.9	0	0	112.3	S274	S274-E276 PolarHBondContact O-N 3.33Å; S274-E276 PolarHBondContact OG-N 3.02Å
277	E	67	Low	83.4	Confident	101 Å²	101	71.5 Å²	71.5	47%	0.472	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-87.6	-4.4	179.5	-67.3	-177	163.4	0	0	113.5	E273 S274 Q275 T279 A282	E273-E277 HydrophobicContact CB-CB 4.32Å; E273-E277 VanDerWaalsContact CB-OE2 3.27Å; E273-E277 WeakPolarHBondContact CB-OE2 3.47Å; E273-E277 VanDerWaalsContact CG-OE2 3.25Å; E273-E277 WeakPolarHBondContact CG-OE2 3.33Å; S274-E277 PolarHBondContact O-N 3.02Å; Q275-E277 PolarHBondContact O-N 2.74Å; E277-T279 PolarHBondContact O-N 3.37Å; E277-A282 WeakPolarHBondContact O-CB 3.46Å
278	L	76	Confident	83.7	Confident	35 Å²	35	74.8 Å²	74.8	18%	0.183	40%	0.4	C	S	.	.			trans	-82	53.5	-176.5	-59.7	177.8	0	0	0	113	L251 V270 Q275	L251-L278 WeakPolarHBondContact CD1-O 3.32Å; V270-L278 HydrophobicContact CB-CD2 3.9Å; V270-L278 HydrophobicContact CG1-CD1 3.87Å; V270-L278 HydrophobicContact CG1-CD2 3.73Å; V270-L278 HydrophobicContact CG1-CG 4.48Å; V270-L278 HydrophobicContact CG2-CD2 3.51Å; Q275-L278 PolarHBondContact O-N 3.26Å
279	T	85.1	Confident	84	Confident	62 Å²	62	73.4 Å²	73.4	38%	0.38	39%	0.39	S	S	.	.			trans	-88.7	163.3	179.9	68.1	0	0	0	0	112.2	E277 D281 A282 F283	E277-T279 PolarHBondContact O-N 3.37Å; T279-D281 PolarHBondContact O-N 3.02Å; T279-A282 PolarHBondContact O-N 3.08Å; T279-A282 WeakPolarHBondContact OG1-CB 3.33Å; T279-A282 PolarHBondContact OG1-N 3.26Å; T279-F283 PolarHBondContact O-N 3.15Å
280	L	89.5	Confident	84.4	Confident	52 Å²	52	72 Å²	72	27%	0.272	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-35	171.7	-174.5	62.7	0	0	0	111.4	A247 L250 L251 L254 F283 L284	A247-L280 HydrophobicContact CB-CB 4.4Å; L250-L280 HydrophobicContact CD1-CD2 4.43Å; L251-L280 HydrophobicContact CD2-CD1 4.13Å; L254-L280 HydrophobicContact CD1-CD1 4.3Å; L280-F283 HydrophobicContact CD1-CD1 4.41Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.83Å; L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.75Å
281	D	91.3	Very high	84.8	Confident	109 Å²	109	73.3 Å²	73.3	58%	0.583	39%	0.393	S	S	*	.	H	α-helix	trans	-65.1	-45.3	176.5	-64.5	-38.2	0	0	0	111.3	T279 F283 L284 E285	T279-D281 PolarHBondContact O-N 3.02Å; D281-F283 PolarHBondContact O-N 2.86Å; D281-L284 PolarHBondContact O-N 3.3Å; D281-E285 WeakPolarHBondContact O-CB 3.46Å; D281-E285 WeakPolarHBondContact O-CG 3.46Å; D281-E285 PolarHBondContact O-N 2.9Å
282	A	90.6	Very high	85.4	Confident	11 Å²	11	71.5 Å²	71.5	9%	0.091	39%	0.386	C	S	.	.	H	α-helix	trans	-59.7	-30.7	174.7	0	0	0	0	0	112.7	K269 E277 T279 F286	K269-A282 PolarHBondContact NZ-O 3.4Å; E277-A282 WeakPolarHBondContact O-CB 3.46Å; T279-A282 PolarHBondContact O-N 3.08Å; T279-A282 WeakPolarHBondContact OG1-CB 3.33Å; T279-A282 PolarHBondContact OG1-N 3.26Å; A282-F286 VanDerWaalsContact O-CB 3.3Å; A282-F286 WeakPolarHBondContact O-CB 3.37Å; A282-F286 PolarHBondContact O-N 2.96Å
283	F	93.1	Very high	85.8	Confident	3 Å²	3	71.3 Å²	71.3	1%	0.013	37%	0.372	C	S	.	.	H	α-helix	trans	-73.4	-41.4	173.2	-178.8	-106.1	0	0	0	112.9	L251 L254 L258 W266 T279 L280 D281 F286 L287	L251-F283 HydrophobicContact CD2-CB 3.32Å; L251-F283 HydrophobicContact CD2-CD1 3.88Å; L251-F283 HydrophobicContact CD2-CD2 3.93Å; L251-F283 HydrophobicContact CD2-CG 3.44Å; L251-F283 VanDerWaalsContact CD2-CG 3.44Å; L254-F283 HydrophobicContact CB-CE1 3.81Å; L254-F283 HydrophobicContact CB-CZ 4.02Å; L254-F283 HydrophobicContact CD1-CE1 4.16Å; L258-F283 HydrophobicContact CD1-CE2 3.87Å; L258-F283 HydrophobicContact CD1-CZ 3.88Å; L258-F283 HydrophobicContact CG-CZ 4.49Å; W266-F283 AromaticContact CD2-CD2 3.73Å; W266-F283 HydrophobicContact CD2-CD2 3.73Å; W266-F283 HydrophobicContact CD2-CE2 4.15Å; W266-F283 AromaticContact CE2-CD2 3.6Å; W266-F283 AromaticContact CE3-CD2 3.88Å; W266-F283 HydrophobicContact CE3-CD2 3.88Å; W266-F283 HydrophobicContact CG-CD2 4.45Å; W266-F283 HydrophobicContact CG-CE2 4.43Å; W266-F283 VanDerWaalsContact CH2-CA 3.48Å; W266-F283 HydrophobicContact CH2-CB 3.59Å; W266-F283 AromaticContact CH2-CD2 3.78Å; W266-F283 HydrophobicContact CH2-CD2 3.78Å; W266-F283 HydrophobicContact CH2-CG 4.2Å; W266-F283 HydrophobicContact CZ2-CB 4Å; W266-F283 AromaticContact CZ2-CD2 3.63Å; W266-F283 HydrophobicContact CZ2-CD2 3.63Å; W266-F283 HydrophobicContact CZ2-CG 4.28Å; W266-F283 HydrophobicContact CZ3-CB 4.1Å; W266-F283 AromaticContact CZ3-CD2 3.9Å; W266-F283 HydrophobicContact CZ3-CD2 3.9Å; W266-F283 HydrophobicContact CZ3-CG 4.49Å; T279-F283 PolarHBondContact O-N 3.15Å; L280-F283 HydrophobicContact CD1-CD1 4.41Å; L280-F283 WeakPolarHBondContact O-CB 3.49Å; L280-F283 PolarHBondContact O-N 2.83Å; D281-F283 PolarHBondContact O-N 2.86Å; F283-F286 WeakPolarHBondContact O-CB 3.3Å; F283-F286 PolarHBondContact O-N 3.33Å; F283-L287 HydrophobicContact CD1-CD1 4.09Å; F283-L287 HydrophobicContact CE1-CD1 3.56Å; F283-L287 HydrophobicContact CE1-CG 4.2Å; F283-L287 HydrophobicContact CZ-CD1 3.93Å; F283-L287 HydrophobicContact CZ-CD2 4.41Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.18Å
284	L	94.2	Very high	86.5	Confident	95 Å²	95	73.2 Å²	73.2	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-43.3	174.9	-70.5	175	0	0	0	111.5	L280 D281 F286 L287 Q288	L280-L284 WeakPolarHBondContact O-CG 3.5Å; L280-L284 PolarHBondContact O-N 2.75Å; D281-L284 PolarHBondContact O-N 3.3Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.86Å; L284-L287 PolarHBondContact O-N 3.3Å; L284-Q288 WeakPolarHBondContact O-CB 3.35Å; L284-Q288 PolarHBondContact O-N 3.45Å
285	E	93.8	Very high	87.7	Confident	135 Å²	135	76 Å²	76	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-59.8	-42.2	172.4	-72.8	-177.8	172	0	0	111.6	D281 Q288 S289	D281-E285 WeakPolarHBondContact O-CB 3.46Å; D281-E285 WeakPolarHBondContact O-CG 3.46Å; D281-E285 PolarHBondContact O-N 2.9Å; E285-Q288 PolarHBondContact O-N 3.44Å; E285-S289 PolarHBondContact O-N 2.76Å
286	F	94.5	Very high	88.8	Confident	10 Å²	10	72.8 Å²	72.8	4%	0.044	38%	0.382	C	S	.	.	H	α-helix	trans	-59.7	-48.5	172.9	166.1	-97.6	0	0	0	111.2	L258 V262 R265 W266 K269 A282 F283 L284 Q288 S289 Q290	L258-F286 HydrophobicContact CD1-CE1 4.47Å; V262-F286 HydrophobicContact CG1-CE1 3.83Å; V262-F286 HydrophobicContact CG1-CZ 3.93Å; R265-F286 HydrophobicContact CB-CE2 4.01Å; R265-F286 HydrophobicContact CB-CZ 3.98Å; W266-F286 HydrophobicContact CB-CD1 4.31Å; W266-F286 HydrophobicContact CB-CE1 3.71Å; W266-F286 HydrophobicContact CB-CE2 4.37Å; W266-F286 HydrophobicContact CB-CZ 3.74Å; W266-F286 HydrophobicContact CD2-CD1 4.22Å; W266-F286 HydrophobicContact CD2-CE1 4.49Å; W266-F286 HydrophobicContact CD2-CG 4.5Å; W266-F286 HydrophobicContact CE3-CB 3.67Å; W266-F286 AromaticContact CE3-CD1 3.46Å; W266-F286 HydrophobicContact CE3-CD1 3.46Å; W266-F286 VanDerWaalsContact CE3-CD1 3.46Å; W266-F286 AromaticContact CE3-CD2 3.93Å; W266-F286 HydrophobicContact CE3-CD2 3.93Å; W266-F286 HydrophobicContact CE3-CE1 4.06Å; W266-F286 HydrophobicContact CE3-CE2 4.46Å; W266-F286 AromaticContact CE3-CG 3.39Å; W266-F286 HydrophobicContact CE3-CG 3.39Å; W266-F286 HydrophobicContact CG-CE1 4.41Å; W266-F286 HydrophobicContact CZ3-CB 3.53Å; W266-F286 HydrophobicContact CZ3-CD1 4.16Å; W266-F286 AromaticContact CZ3-CG 3.84Å; W266-F286 HydrophobicContact CZ3-CG 3.84Å; K269-F286 HydrophobicContact CD-CB 4.43Å; K269-F286 HydrophobicContact CD-CD2 4.18Å; A282-F286 VanDerWaalsContact O-CB 3.3Å; A282-F286 WeakPolarHBondContact O-CB 3.37Å; A282-F286 PolarHBondContact O-N 2.96Å; F283-F286 WeakPolarHBondContact O-CB 3.3Å; F283-F286 PolarHBondContact O-N 3.33Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 2.86Å; F286-Q288 VanDerWaalsContact C-N 3.32Å; F286-Q288 PolarHBondContact O-N 3.38Å; F286-S289 WeakPolarHBondContact O-CB 3.47Å; F286-S289 PolarHBondContact O-N 2.81Å; F286-S289 VanDerWaalsContact O-N 3.15Å; F286-S289 PolarHBondContact O-OG 2.84Å; F286-Q290 HydrophobicContact CD1-CG 4.42Å; F286-Q290 HydrophobicContact CD2-CG 4.38Å; F286-Q290 HydrophobicContact CE1-CG 3.93Å; F286-Q290 HydrophobicContact CE2-CG 3.9Å; F286-Q290 HydrophobicContact CZ-CG 3.64Å; F286-Q290 WeakPolarHBondContact O-CG 3.32Å; F286-Q290 PolarHBondContact O-N 3.43Å
287	L	95.1	Very high	89.9	Confident	47 Å²	47	66.3 Å²	66.3	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-42	178.2	-70.8	-178.8	0	0	0	111.9	L258 F283 L284 S289 Q290 V291	L258-L287 HydrophobicContact CD1-CD2 3.88Å; L258-L287 HydrophobicContact CD2-CD2 3.62Å; L258-L287 HydrophobicContact CG-CD2 4.41Å; F283-L287 HydrophobicContact CD1-CD1 4.09Å; F283-L287 HydrophobicContact CE1-CD1 3.56Å; F283-L287 HydrophobicContact CE1-CG 4.2Å; F283-L287 HydrophobicContact CZ-CD1 3.93Å; F283-L287 HydrophobicContact CZ-CD2 4.41Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.18Å; L284-L287 PolarHBondContact O-N 3.3Å; L287-S289 VanDerWaalsContact C-N 3.3Å; L287-S289 PolarHBondContact O-N 3.18Å; L287-Q290 PolarHBondContact O-N 3.23Å; L287-Q290 VanDerWaalsContact O-N 3.09Å; L287-V291 WeakPolarHBondContact O-CG2 3.21Å; L287-V291 PolarHBondContact O-N 3.48Å
288	Q	95.4	Very high	90.6	Very high	118 Å²	118	64.5 Å²	64.5	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-58.3	-43.7	174.3	-173.8	61.2	31.4	0	0	111	L284 E285 F286 Q290 V291 V292	L284-Q288 WeakPolarHBondContact O-CB 3.35Å; L284-Q288 PolarHBondContact O-N 3.45Å; E285-Q288 PolarHBondContact O-N 3.44Å; F286-Q288 VanDerWaalsContact C-N 3.32Å; F286-Q288 PolarHBondContact O-N 3.38Å; Q288-Q290 VanDerWaalsContact C-N 3.29Å; Q288-Q290 PolarHBondContact O-N 2.72Å; Q288-V291 PolarHBondContact O-N 3.09Å; Q288-V292 WeakPolarHBondContact O-CG2 3.47Å; Q288-V292 PolarHBondContact O-N 3.35Å
289	S	94.7	Very high	90.8	Very high	49 Å²	49	66.6 Å²	66.6	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-39.5	175.2	82	0	0	0	0	112.2	E285 F286 L287 V292 I293	E285-S289 PolarHBondContact O-N 2.76Å; F286-S289 WeakPolarHBondContact O-CB 3.47Å; F286-S289 PolarHBondContact O-N 2.81Å; F286-S289 VanDerWaalsContact O-N 3.15Å; F286-S289 PolarHBondContact O-OG 2.84Å; L287-S289 VanDerWaalsContact C-N 3.3Å; L287-S289 PolarHBondContact O-N 3.18Å; S289-V292 PolarHBondContact O-N 3.13Å; S289-I293 WeakPolarHBondContact O-CD1 3.37Å; S289-I293 WeakPolarHBondContact O-CG1 3.39Å; S289-I293 PolarHBondContact O-N 3.37Å
290	Q	93.9	Very high	90.4	Very high	20 Å²	20	67.3 Å²	67.3	9%	0.093	38%	0.377	C	S	.	.	H	α-helix	trans	-69.7	-37.1	178.7	-61	-55.8	-67.8	0	0	112	V262 F286 L287 Q288 I293 E294	V262-Q290 HydrophobicContact CG1-CG 4.03Å; F286-Q290 HydrophobicContact CD1-CG 4.42Å; F286-Q290 HydrophobicContact CD2-CG 4.38Å; F286-Q290 HydrophobicContact CE1-CG 3.93Å; F286-Q290 HydrophobicContact CE2-CG 3.9Å; F286-Q290 HydrophobicContact CZ-CG 3.64Å; F286-Q290 WeakPolarHBondContact O-CG 3.32Å; F286-Q290 PolarHBondContact O-N 3.43Å; L287-Q290 PolarHBondContact O-N 3.23Å; L287-Q290 VanDerWaalsContact O-N 3.09Å; Q288-Q290 VanDerWaalsContact C-N 3.29Å; Q288-Q290 PolarHBondContact O-N 2.72Å; Q290-I293 PolarHBondContact O-N 3.35Å; Q290-E294 WeakPolarHBondContact O-CG 3.47Å; Q290-E294 PolarHBondContact O-N 3.38Å
291	V	93.9	Very high	89.6	Confident	68 Å²	68	71.5 Å²	71.5	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-50.8	173.7	172.3	0	0	0	0	110.2	L287 Q288 I293 E294 E295	L287-V291 WeakPolarHBondContact O-CG2 3.21Å; L287-V291 PolarHBondContact O-N 3.48Å; Q288-V291 PolarHBondContact O-N 3.09Å; V291-I293 VanDerWaalsContact C-N 3.3Å; V291-I293 PolarHBondContact O-N 3.08Å; V291-E294 PolarHBondContact O-N 2.92Å; V291-E294 VanDerWaalsContact O-N 3.16Å; V291-E295 HydrophobicContact CG1-CG 4.27Å; V291-E295 WeakPolarHBondContact O-CG 3.38Å; V291-E295 PolarHBondContact O-N 3.35Å
292	V	94.3	Very high	88.8	Confident	76 Å²	76	72.6 Å²	72.6	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-59	-41	179.1	173.6	0	0	0	0	111.6	Q288 S289 E295 A296	Q288-V292 WeakPolarHBondContact O-CG2 3.47Å; Q288-V292 PolarHBondContact O-N 3.35Å; S289-V292 PolarHBondContact O-N 3.13Å; V292-E295 PolarHBondContact O-N 3.05Å; V292-A296 WeakPolarHBondContact O-CB 3.4Å; V292-A296 PolarHBondContact O-N 3.04Å
293	I	91.4	Very high	87.9	Confident	83 Å²	83	76.8 Å²	76.8	43%	0.426	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-47.2	176.2	-71.2	163.9	0	0	0	111.4	S289 Q290 V291 A296 A297	S289-I293 WeakPolarHBondContact O-CD1 3.37Å; S289-I293 WeakPolarHBondContact O-CG1 3.39Å; S289-I293 PolarHBondContact O-N 3.37Å; Q290-I293 PolarHBondContact O-N 3.35Å; V291-I293 VanDerWaalsContact C-N 3.3Å; V291-I293 PolarHBondContact O-N 3.08Å; I293-A296 PolarHBondContact O-N 3.26Å; I293-A297 WeakPolarHBondContact O-CB 3.46Å; I293-A297 PolarHBondContact O-N 3.46Å
294	E	89	Confident	86.8	Confident	103 Å²	103	79.1 Å²	79.1	48%	0.481	43%	0.433	S	S	.	.	H	α-helix	trans	-68.8	-37.8	-179.5	-68.7	-64.2	151.8	0	0	111.7	Q290 V291 A297 V298	Q290-E294 WeakPolarHBondContact O-CG 3.47Å; Q290-E294 PolarHBondContact O-N 3.38Å; V291-E294 PolarHBondContact O-N 2.92Å; V291-E294 VanDerWaalsContact O-N 3.16Å; E294-A297 PolarHBondContact O-N 3.43Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.38Å; E294-V298 PolarHBondContact O-N 3.47Å
295	E	91.2	Very high	85.5	Confident	116 Å²	116	78 Å²	78	54%	0.542	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-41.6	174.2	-72.8	-179.8	154.2	0	0	112.1	V291 V292 T299	V291-E295 HydrophobicContact CG1-CG 4.27Å; V291-E295 WeakPolarHBondContact O-CG 3.38Å; V291-E295 PolarHBondContact O-N 3.35Å; V292-E295 PolarHBondContact O-N 3.05Å; E295-T299 WeakPolarHBondContact O-CB 3.46Å; E295-T299 PolarHBondContact O-N 2.96Å; E295-T299 PolarHBondContact O-OG1 3.44Å
296	A	88.8	Confident	84.4	Confident	59 Å²	59	77.9 Å²	77.9	49%	0.488	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-41.3	174.5	0	0	0	0	0	111.7	V292 I293 T299 S300	V292-A296 WeakPolarHBondContact O-CB 3.4Å; V292-A296 PolarHBondContact O-N 3.04Å; I293-A296 PolarHBondContact O-N 3.26Å; A296-T299 PolarHBondContact O-N 3.46Å; A296-S300 WeakPolarHBondContact O-CB 3.41Å; A296-S300 PolarHBondContact O-N 3.09Å
297	A	84.8	Confident	82.9	Confident	41 Å²	41	81.5 Å²	81.5	34%	0.339	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-47.3	176.3	0	0	0	0	0	111.8	I293 E294 T299 S300 E301	I293-A297 WeakPolarHBondContact O-CB 3.46Å; I293-A297 PolarHBondContact O-N 3.46Å; E294-A297 PolarHBondContact O-N 3.43Å; A297-T299 VanDerWaalsContact C-N 3.3Å; A297-T299 PolarHBondContact O-N 2.97Å; A297-S300 PolarHBondContact O-N 3.35Å; A297-E301 WeakPolarHBondContact O-CG 3.43Å; A297-E301 PolarHBondContact O-N 3.42Å
298	V	82.5	Confident	81.2	Confident	62 Å²	62	86.3 Å²	86.3	38%	0.376	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-37.4	176.7	171.3	0	0	0	0	111.4	E294 E301 K302	E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.38Å; E294-V298 PolarHBondContact O-N 3.47Å; V298-E301 PolarHBondContact O-N 3.06Å; V298-K302 HydrophobicContact CG1-CD 4.19Å; V298-K302 WeakPolarHBondContact O-CB 3.48Å; V298-K302 VanDerWaalsContact O-CG 3.27Å; V298-K302 WeakPolarHBondContact O-CG 3.11Å; V298-K302 PolarHBondContact O-N 3.43Å
299	T	80.4	Confident	79.4	Confident	79 Å²	79	89.4 Å²	89.4	49%	0.485	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-44.8	176.4	-56.9	0	0	0	0	110.9	E295 A296 A297 E301 K302 E303	E295-T299 WeakPolarHBondContact O-CB 3.46Å; E295-T299 PolarHBondContact O-N 2.96Å; E295-T299 PolarHBondContact O-OG1 3.44Å; A296-T299 PolarHBondContact O-N 3.46Å; A297-T299 VanDerWaalsContact C-N 3.3Å; A297-T299 PolarHBondContact O-N 2.97Å; T299-E301 PolarHBondContact O-N 2.92Å; T299-K302 WeakPolarHBondContact O-CB 3.36Å; T299-K302 PolarHBondContact O-N 3.48Å; T299-E303 HydrophobicContact CG2-CG 4.38Å; T299-E303 WeakPolarHBondContact O-CB 3.09Å; T299-E303 WeakPolarHBondContact O-CG 3.46Å; T299-E303 PolarHBondContact O-N 3.38Å
300	S	75.2	Confident	77.8	Confident	78 Å²	78	96.5 Å²	96.5	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-40.6	174.8	-175.8	0	0	0	0	112.4	A296 A297 E303 A304	A296-S300 WeakPolarHBondContact O-CB 3.41Å; A296-S300 PolarHBondContact O-N 3.09Å; A297-S300 PolarHBondContact O-N 3.35Å; S300-E303 PolarHBondContact O-N 2.93Å; S300-A304 VanDerWaalsContact O-CB 3.25Å; S300-A304 WeakPolarHBondContact O-CB 3.26Å; S300-A304 PolarHBondContact O-N 2.94Å
301	E	73.7	Confident	76	Confident	140 Å²	140	99.9 Å²	99.9	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-39.4	174.6	-74.4	-176.2	171.8	0	0	112.3	A297 V298 T299 C305	A297-E301 WeakPolarHBondContact O-CG 3.43Å; A297-E301 PolarHBondContact O-N 3.42Å; V298-E301 PolarHBondContact O-N 3.06Å; T299-E301 PolarHBondContact O-N 2.92Å; E301-C305 VanDerWaalsContact O-CB 3.27Å; E301-C305 WeakPolarHBondContact O-CB 3.19Å; E301-C305 PolarHBondContact O-N 3.48Å
302	K	73.9	Confident	74.1	Confident	132 Å²	132	102.5 Å²	102.5	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-65.3	-43.5	173.8	-75.6	172.5	-178.3	173.1	0	111.6	V298 T299 C305 K306	V298-K302 HydrophobicContact CG1-CD 4.19Å; V298-K302 WeakPolarHBondContact O-CB 3.48Å; V298-K302 VanDerWaalsContact O-CG 3.27Å; V298-K302 WeakPolarHBondContact O-CG 3.11Å; V298-K302 PolarHBondContact O-N 3.43Å; T299-K302 WeakPolarHBondContact O-CB 3.36Å; T299-K302 PolarHBondContact O-N 3.48Å; K302-C305 PolarHBondContact O-N 3Å; K302-K306 WeakPolarHBondContact O-CG 3.45Å; K302-K306 PolarHBondContact O-N 3.33Å
303	E	72.3	Confident	72.2	Confident	98 Å²	98	106.6 Å²	106.6	46%	0.458	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-45.8	175.5	-71.7	-91.1	122	0	0	111.1	T299 S300 C305 K306 N307	T299-E303 HydrophobicContact CG2-CG 4.38Å; T299-E303 WeakPolarHBondContact O-CB 3.09Å; T299-E303 WeakPolarHBondContact O-CG 3.46Å; T299-E303 PolarHBondContact O-N 3.38Å; S300-E303 PolarHBondContact O-N 2.93Å; E303-C305 VanDerWaalsContact C-N 3.31Å; E303-C305 PolarHBondContact O-N 3.13Å; E303-K306 WeakPolarHBondContact O-CB 3.42Å; E303-K306 PolarHBondContact O-N 2.88Å; E303-N307 WeakPolarHBondContact O-CB 3.4Å; E303-N307 PolarHBondContact O-N 3.49Å
304	A	69.8	Low	70.4	Confident	53 Å²	53	106.5 Å²	106.5	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-36.4	176.6	0	0	0	0	0	112.1	S300 N307 K308	S300-A304 VanDerWaalsContact O-CB 3.25Å; S300-A304 WeakPolarHBondContact O-CB 3.26Å; S300-A304 PolarHBondContact O-N 2.94Å; A304-N307 PolarHBondContact O-N 3.17Å; A304-K308 WeakPolarHBondContact O-CB 3.42Å; A304-K308 PolarHBondContact O-N 3.17Å
305	C	67.5	Low	68.7	Low	71 Å²	71	109.6 Å²	109.6	48%	0.48	55%	0.552	S	S	.	*	H	α-helix	trans	-71.7	-36.5	175.1	-156.6	0	0	0	0	111.9	E301 K302 E303 R309	E301-C305 VanDerWaalsContact O-CB 3.27Å; E301-C305 WeakPolarHBondContact O-CB 3.19Å; E301-C305 PolarHBondContact O-N 3.48Å; K302-C305 PolarHBondContact O-N 3Å; E303-C305 VanDerWaalsContact C-N 3.31Å; E303-C305 PolarHBondContact O-N 3.13Å; C305-R309 WeakPolarHBondContact O-CG 3.48Å; C305-R309 PolarHBondContact O-N 3.09Å; C305-R309 VanDerWaalsContact O-N 3.08Å
306	K	69	Low	66.7	Low	132 Å²	132	110 Å²	110	57%	0.574	56%	0.558	S	S	*	*	H	α-helix	trans	-65	-41.8	170.7	-75.3	176.3	-176.4	175.8	0	111.7	K302 E303 R309 R310	K302-K306 WeakPolarHBondContact O-CG 3.45Å; K302-K306 PolarHBondContact O-N 3.33Å; E303-K306 WeakPolarHBondContact O-CB 3.42Å; E303-K306 PolarHBondContact O-N 2.88Å; K306-R309 PolarHBondContact O-N 3.19Å; K306-R310 PolarHBondContact O-N 2.91Å
307	N	63	Low	64.9	Low	87 Å²	87	112.2 Å²	112.2	47%	0.465	56%	0.558	S	S	.	*	H	α-helix	trans	-68.6	-43.6	178.9	-77.6	-10.5	0	0	0	111.3	E303 A304 R309 R310 T311	E303-N307 WeakPolarHBondContact O-CB 3.4Å; E303-N307 PolarHBondContact O-N 3.49Å; A304-N307 PolarHBondContact O-N 3.17Å; N307-R309 VanDerWaalsContact C-N 3.28Å; N307-R309 PolarHBondContact O-N 2.98Å; N307-R310 CarbonylContact O-C 3.53Å; N307-R310 WeakPolarHBondContact O-CA 3.37Å; N307-R310 WeakPolarHBondContact O-CB 3.48Å; N307-R310 PolarHBondContact O-N 3.13Å; N307-T311 PolarHBondContact O-N 3.36Å; N307-T311 PolarHBondContact O-OG1 2.93Å
308	K	59.9	Low	63.2	Low	147 Å²	147	119.5 Å²	119.5	64%	0.639	59%	0.585	S	S	*	*	H	α-helix	trans	-57.1	-40.6	171	-88.8	-174.1	174.1	-179	0	112.7	A304 R310 T311 E312	A304-K308 WeakPolarHBondContact O-CB 3.42Å; A304-K308 PolarHBondContact O-N 3.17Å; K308-R310 VanDerWaalsContact C-N 3.29Å; K308-R310 PolarHBondContact O-N 3.01Å; K308-T311 PolarHBondContact O-N 3.19Å; K308-E312 WeakPolarHBondContact O-CB 3.44Å; K308-E312 WeakPolarHBondContact O-CG 3.44Å; K308-E312 PolarHBondContact O-N 3.49Å
309	R	58.3	Low	61.2	Low	183 Å²	183	118.8 Å²	118.8	69%	0.691	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-27	173.9	-75.1	-177.8	179	-167.6	1	113	C305 K306 N307 R313	C305-R309 WeakPolarHBondContact O-CG 3.48Å; C305-R309 PolarHBondContact O-N 3.09Å; C305-R309 VanDerWaalsContact O-N 3.08Å; K306-R309 PolarHBondContact O-N 3.19Å; N307-R309 VanDerWaalsContact C-N 3.28Å; N307-R309 PolarHBondContact O-N 2.98Å; R309-R313 WeakPolarHBondContact O-CB 3.47Å; R309-R313 PolarHBondContact O-N 2.97Å
310	R	60.1	Low	59.1	Low	198 Å²	198	126.7 Å²	126.7	75%	0.747	61%	0.611	S	S	*	*	H	α-helix	trans	-78	-41.3	174.2	-104.7	-178.9	164.8	177.3	-5.1	112	K306 N307 K308 R313 S314	K306-R310 PolarHBondContact O-N 2.91Å; N307-R310 CarbonylContact O-C 3.53Å; N307-R310 WeakPolarHBondContact O-CA 3.37Å; N307-R310 WeakPolarHBondContact O-CB 3.48Å; N307-R310 PolarHBondContact O-N 3.13Å; K308-R310 VanDerWaalsContact C-N 3.29Å; K308-R310 PolarHBondContact O-N 3.01Å; R310-R313 PolarHBondContact O-N 3.31Å; R310-S314 PolarHBondContact O-N 3.4Å
311	T	57.8	Low	57	Low	91 Å²	91	133.2 Å²	133.2	56%	0.558	62%	0.624	S	S	*	*	H	α-helix	trans	-69.2	-42.1	176.4	-1.9	0	0	0	0	111.8	N307 K308 R313 S314 E315	N307-T311 PolarHBondContact O-N 3.36Å; N307-T311 PolarHBondContact O-OG1 2.93Å; K308-T311 PolarHBondContact O-N 3.19Å; T311-R313 VanDerWaalsContact C-N 3.3Å; T311-R313 PolarHBondContact O-N 3Å; T311-S314 PolarHBondContact O-N 3.2Å; T311-E315 PolarHBondContact O-N 3.01Å; T311-E315 VanDerWaalsContact O-N 3.16Å
312	E	53.9	Low	55.4	Low	124 Å²	124	135.6 Å²	135.6	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-66.1	-32.3	174.2	-76.1	179.5	172.8	0	0	111.9	K308 L316	K308-E312 WeakPolarHBondContact O-CB 3.44Å; K308-E312 WeakPolarHBondContact O-CG 3.44Å; K308-E312 PolarHBondContact O-N 3.49Å; E312-L316 WeakPolarHBondContact O-CB 3.5Å; E312-L316 WeakPolarHBondContact O-CD1 3.49Å; E312-L316 PolarHBondContact O-N 3.2Å; E312-L316 VanDerWaalsContact O-N 3.11Å
313	R	52.7	Low	53.8	Low	161 Å²	161	136.3 Å²	136.3	61%	0.608	64%	0.642	S	S	*	*	H	α-helix	trans	-73.8	-32.9	176.3	-156.2	176.9	-165.6	172.5	2.3	112.3	R309 R310 T311 L316 E317	R309-R313 WeakPolarHBondContact O-CB 3.47Å; R309-R313 PolarHBondContact O-N 2.97Å; R310-R313 PolarHBondContact O-N 3.31Å; T311-R313 VanDerWaalsContact C-N 3.3Å; T311-R313 PolarHBondContact O-N 3Å; R313-L316 PolarHBondContact O-N 3.03Å; R313-E317 HydrophobicContact CG-CG 4.45Å; R313-E317 IonicContact NE-OE1 3.89Å; R313-E317 WeakPolarHBondContact O-CB 3.25Å; R313-E317 WeakPolarHBondContact O-CG 3.38Å; R313-E317 PolarHBondContact O-N 3.04Å
314	S	54.8	Low	51.9	Low	82 Å²	82	142.1 Å²	142.1	57%	0.573	66%	0.66	S	S	*	*	H	α-helix	trans	-71.4	-29.5	175.5	-167.6	0	0	0	0	113.1	R310 T311	R310-S314 PolarHBondContact O-N 3.4Å; T311-S314 PolarHBondContact O-N 3.2Å
315	E	52	Low	50.6	Low	168 Å²	168	148.1 Å²	148.1	79%	0.785	68%	0.676	S	S	*	*	H	α-helix	trans	-81.9	-23.4	172.9	-75.6	-176.4	162.2	0	0	112.9	T311	T311-E315 PolarHBondContact O-N 3.01Å; T311-E315 VanDerWaalsContact O-N 3.16Å
316	L	50.9	Low	49.5	Very low	125 Å²	125	149.4 Å²	149.4	65%	0.654	68%	0.684	S	S	*	*	H	α-helix	trans	-84.6	-18.8	173.6	-91.8	145.9	0	0	0	113.9	E312 R313 Q318 G319	E312-L316 WeakPolarHBondContact O-CB 3.5Å; E312-L316 WeakPolarHBondContact O-CD1 3.49Å; E312-L316 PolarHBondContact O-N 3.2Å; E312-L316 VanDerWaalsContact O-N 3.11Å; R313-L316 PolarHBondContact O-N 3.03Å; L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.38Å; L316-G319 PolarHBondContact O-N 3.01Å; L316-G319 VanDerWaalsContact O-N 3.15Å
317	E	50.5	Low	48.7	Very low	104 Å²	104	147.8 Å²	147.8	49%	0.486	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-8.8	-175.2	-89	172.1	-174.3	0	0	115.2	R313	R313-E317 HydrophobicContact CG-CG 4.45Å; R313-E317 IonicContact NE-OE1 3.89Å; R313-E317 WeakPolarHBondContact O-CB 3.25Å; R313-E317 WeakPolarHBondContact O-CG 3.38Å; R313-E317 PolarHBondContact O-N 3.04Å
318	Q	49.4	Very low	48.1	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-1.7	170	-69.3	-174	-2.6	0	0	114	L316	L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.38Å
319	G	40.5	Very low	47.7	Very low	47 Å²	47	143.4 Å²	143.4	49%	0.485	69%	0.692	S	S	.	*	S	Bend	trans	-122.3	100.9	179.5	0	0	0	0	0	112	L316	L316-G319 PolarHBondContact O-N 3.01Å; L316-G319 VanDerWaalsContact O-N 3.15Å
320	R	34.9	Very low	47.2	Very low	245 Å²	245	137.8 Å²	137.8	93%	0.925	69%	0.685	S	S	*	*			trans	76.3	76.9	154.3	-144.1	175.4	-170	-174.8	2.1	115.4	K322	R320-K322 PolarHBondContact O-N 3.38Å
321	W	33.1	Very low	46.4	Very low	214 Å²	214	135.1 Å²	135.1	81%	0.811	69%	0.685	S	S	*	*			trans	-74.5	110.2	156.7	-73.4	16.9	0	0	0	110
322	K	40	Very low	45.9	Very low	190 Å²	190	138.6 Å²	138.6	83%	0.826	70%	0.695	S	S	*	*	S	Bend	trans	-171.6	121.6	146.9	-102.5	167.7	-174.7	-176.7	0	106.2	R320	R320-K322 PolarHBondContact O-N 3.38Å
323	D	39	Very low	45.5	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	70%	0.695	S	S	*	*			trans	82.6	66.1	168.9	-42.3	-27.7	0	0	0	117.6
324	W	33.1	Very low	44.9	Very low	220 Å²	220	132.6 Å²	132.6	83%	0.833	69%	0.692	S	S	*	*			trans	-132.3	107.4	153.2	-168.6	-73	0	0	0	110.2
325	F	42.4	Very low	44.5	Very low	179 Å²	179	134.2 Å²	134.2	79%	0.785	70%	0.698	S	S	*	*			trans	-71.3	140	172.8	-73.5	-86.8	0	0	0	110.8	S327	F325-S327 PolarHBondContact O-N 3.18Å
326	P	44.6	Very low	43.7	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	70%	0.699	S	S	*	*			trans	-60	136.5	180	-20	30.6	0	0	0	112.7	A328 A329	P326-A328 PolarHBondContact O-N 2.91Å; P326-A329 PolarHBondContact O-N 3.41Å
327	S	52.6	Low	43.4	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	6.4	-171.9	48.4	0	0	0	0	116.9	F325	F325-S327 PolarHBondContact O-N 3.18Å
328	A	49.8	Very low	43.4	Very low	74 Å²	74	139.9 Å²	139.9	61%	0.612	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-38.7	175	0	0	0	0	0	112.4	P326 A330 L331	P326-A328 PolarHBondContact O-N 2.91Å; A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 3.31Å; A328-L331 PolarHBondContact O-N 2.66Å
329	A	51.5	Low	43.7	Very low	68 Å²	68	137.1 Å²	137.1	56%	0.562	70%	0.704	S	S	*	*	H	α-helix	trans	-69.8	-31.5	176.2	0	0	0	0	0	112	P326 L331 Q332 A333	P326-A329 PolarHBondContact O-N 3.41Å; A329-L331 PolarHBondContact O-N 3.03Å; A329-Q332 PolarHBondContact O-N 2.98Å; A329-A333 WeakPolarHBondContact O-CB 3.27Å; A329-A333 PolarHBondContact O-N 2.89Å
330	A	48.7	Very low	45.5	Very low	66 Å²	66	139.4 Å²	139.4	55%	0.545	70%	0.703	S	S	.	*	H	α-helix	trans	-65.2	-23.3	174.7	0	0	0	0	0	113.4	A328	A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 3.31Å
331	L	42.6	Very low	47.8	Very low	142 Å²	142	127.8 Å²	127.8	74%	0.743	66%	0.659	S	S	*	*	H	α-helix	trans	-82.9	-27.5	178.4	-147.2	82.2	0	0	0	112.4	A328 A329	A328-L331 PolarHBondContact O-N 2.66Å; A329-L331 PolarHBondContact O-N 3.03Å
332	Q	46.6	Very low	50.1	Low	164 Å²	164	118.7 Å²	118.7	77%	0.766	63%	0.629	S	S	*	*	H	α-helix	trans	-89.3	-20.6	176.4	-70.1	-175.3	-13.4	0	0	112.9	A329	A329-Q332 PolarHBondContact O-N 2.98Å
333	A	45.8	Very low	52.3	Low	71 Å²	71	111 Å²	111	59%	0.587	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-77.3	-17.3	-177	0	0	0	0	0	115.5	A329	A329-A333 WeakPolarHBondContact O-CB 3.27Å; A329-A333 PolarHBondContact O-N 2.89Å
334	T	40.1	Very low	54.6	Low	88 Å²	88	105 Å²	105	54%	0.54	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-93.2	4.6	-180	49.7	0	0	0	0	114.4	H336	T334-H336 PolarHBondContact O-N 3.22Å
335	V	45.9	Very low	56.9	Low	115 Å²	115	98.5 Å²	98.5	70%	0.697	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-74.2	-3.1	173.2	-177.9	0	0	0	0	112.5
336	H	35.9	Very low	58.8	Low	174 Å²	174	91.1 Å²	91.1	81%	0.806	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-129.5	49.3	174.4	-78.6	-64.4	0	0	0	113.5	T334 R338	T334-H336 PolarHBondContact O-N 3.22Å; H336-R338 PolarHBondContact O-N 2.93Å
337	E	44.4	Very low	60.7	Low	145 Å²	145	94.3 Å²	94.3	68%	0.678	53%	0.533	S	S	*	.			trans	-93	92.9	163.8	-72.1	-169.1	-178.6	0	0	109.6
338	R	50.1	Low	62.2	Low	197 Å²	197	92.4 Å²	92.4	74%	0.743	51%	0.513	S	S	*	.			trans	-37.5	143.8	159.6	-72.2	175.4	174.6	154.9	-1.4	109	H336 M340	H336-R338 PolarHBondContact O-N 2.93Å; R338-M340 HydrophobicContact CB-CG 3.89Å; R338-M340 HydrophobicContact CB-SD 4.24Å; R338-M340 PolarHBondContact O-N 2.82Å
339	N	57.1	Low	63.7	Low	138 Å²	138	94.7 Å²	94.7	74%	0.738	51%	0.512	S	S	*	.	S	Bend	trans	-58.8	66.1	175	-88.1	-24.2	0	0	0	112.2	H348	N339-H348 PolarHBondContact O-N 3.44Å
340	M	76.6	Confident	65.2	Low	94 Å²	94	92.3 Å²	92.3	46%	0.463	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-101	136.2	-178	-67.6	-177	74.5	0	0	108.2	R338 S342 S345 G346	R338-M340 HydrophobicContact CB-CG 3.89Å; R338-M340 HydrophobicContact CB-SD 4.24Å; R338-M340 PolarHBondContact O-N 2.82Å; M340-S342 PolarHBondContact O-N 3.4Å; M340-S345 WeakPolarHBondContact CE-O 3.31Å; M340-G346 CarbonylContact C-O 3.59Å; M340-G346 WeakPolarHBondContact CA-O 3.03Å
341	C	83.3	Confident	66.7	Low	1 Å²	1	89.9 Å²	89.9	1%	0.007	47%	0.469	C	S	.	.			trans	-67.3	117.5	177.1	176.5	0	0	0	0	110.4	F343 C344 S345 G346 H348 N350 C353	C341-F343 PolarHBondContact O-N 2.9Å; C341-F343 PolarHBondContact SG-N 3.11Å; C341-C344 PolarHBondContact O-N 3.17Å; C341-S345 VanDerWaalsContact O-CA 3.27Å; C341-S345 WeakPolarHBondContact O-CA 3.13Å; C341-S345 PolarHBondContact O-N 3.08Å; C341-G346 PolarHBondContact N-O 2.61Å; C341-H348 WeakPolarHBondContact CA-O 3.41Å; C341-H348 VanDerWaalsContact CB-NE2 3.33Å; C341-H348 WeakPolarHBondContact CB-NE2 3.46Å; C341-H348 WeakPolarHBondContact CB-O 3.37Å; C341-H348 PolarHBondContact N-O 2.95Å; C341-N350 VanDerWaalsContact CA-OD1 3.32Å; C341-N350 WeakPolarHBondContact CA-OD1 3.29Å; C341-N350 PolarHBondContact SG-OD1 3Å; C341-N350 VanDerWaalsContact SG-OD1 3.37Å; C341-C353 WeakPolarHBondContact SG-CB 3.35Å; C341-C353 PolarHBondContact SG-SG 2.81Å
342	S	82.1	Confident	68.6	Low	24 Å²	24	86.7 Å²	86.7	17%	0.168	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.9	173.6	67.9	0	0	0	0	114.7	M340 N350 K371	M340-S342 PolarHBondContact O-N 3.4Å; S342-N350 PolarHBondContact N-OD1 3.28Å; S342-N350 PolarHBondContact OG-ND2 2.85Å; S342-N350 PolarHBondContact OG-OD1 3.32Å; S342-K371 WeakPolarHBondContact O-CD 3.45Å; S342-K371 VanDerWaalsContact O-CE 3.23Å; S342-K371 WeakPolarHBondContact O-CE 3.31Å; S342-K371 PolarHBondContact O-NZ 2.69Å
343	F	86.1	Confident	70.5	Confident	28 Å²	28	78.9 Å²	78.9	12%	0.123	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-29.1	-179.9	-51.3	-46.4	0	0	0	113.9	C341 N350 C353 F356 I367 V368 K371 A373 L378	C341-F343 PolarHBondContact O-N 2.9Å; C341-F343 PolarHBondContact SG-N 3.11Å; F343-N350 HydrophobicContact CD2-CB 4.09Å; F343-N350 HydrophobicContact CE2-CB 3.58Å; F343-N350 HydrophobicContact CZ-CB 4.17Å; F343-C353 HydrophobicContact CD2-CB 4.23Å; F343-F356 HydrophobicContact CB-CB 3.98Å; F343-F356 HydrophobicContact CB-CD2 4.32Å; F343-F356 HydrophobicContact CB-CG 4.39Å; F343-F356 HydrophobicContact CD1-CD2 4.18Å; F343-F356 HydrophobicContact CD1-CE2 4.45Å; F343-F356 HydrophobicContact CD2-CB 3.67Å; F343-F356 AromaticContact CD2-CD1 3.89Å; F343-F356 HydrophobicContact CD2-CD1 3.89Å; F343-F356 AromaticContact CD2-CD2 3.81Å; F343-F356 HydrophobicContact CD2-CD2 3.81Å; F343-F356 HydrophobicContact CD2-CE1 4.49Å; F343-F356 HydrophobicContact CD2-CE2 4.41Å; F343-F356 AromaticContact CD2-CG 3.51Å; F343-F356 HydrophobicContact CD2-CG 3.51Å; F343-F356 HydrophobicContact CE1-CD2 4.47Å; F343-F356 HydrophobicContact CE1-CE2 4.35Å; F343-F356 HydrophobicContact CE2-CB 4.46Å; F343-F356 AromaticContact CE2-CD1 3.82Å; F343-F356 HydrophobicContact CE2-CD1 3.82Å; F343-F356 HydrophobicContact CE2-CD2 4.1Å; F343-F356 HydrophobicContact CE2-CE1 4.01Å; F343-F356 HydrophobicContact CE2-CE2 4.27Å; F343-F356 AromaticContact CE2-CG 3.87Å; F343-F356 HydrophobicContact CE2-CG 3.87Å; F343-F356 HydrophobicContact CE2-CZ 4.23Å; F343-F356 HydrophobicContact CG-CB 4.05Å; F343-F356 AromaticContact CG-CD2 3.85Å; F343-F356 HydrophobicContact CG-CD2 3.85Å; F343-F356 AromaticContact CG-CG 3.97Å; F343-F356 HydrophobicContact CG-CG 3.97Å; F343-F356 HydrophobicContact CZ-CD2 4.44Å; F343-F356 HydrophobicContact CZ-CE1 4.45Å; F343-F356 HydrophobicContact CZ-CE2 4.26Å; F343-F356 HydrophobicContact CZ-CZ 4.26Å; F343-I367 HydrophobicContact CB-CG2 4.44Å; F343-I367 HydrophobicContact CD1-CG2 3.55Å; F343-I367 HydrophobicContact CE1-CG2 4.15Å; F343-I367 HydrophobicContact CG-CG2 4.25Å; F343-V368 HydrophobicContact CE1-CG2 4.13Å; F343-V368 HydrophobicContact CZ-CG2 4.08Å; F343-K371 HydrophobicContact CD1-CG 4.32Å; F343-A373 HydrophobicContact CE1-CB 4.09Å; F343-A373 HydrophobicContact CZ-CB 4.26Å; F343-L378 HydrophobicContact CE2-CB 4.26Å; F343-L378 HydrophobicContact CZ-CB 4.09Å; F343-L378 HydrophobicContact CZ-CD2 4.08Å
344	C	87.3	Confident	72.5	Confident	21 Å²	21	81 Å²	81	14%	0.142	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-1.5	-174.9	75.5	0	0	0	0	116.1	C341 G346 H348 R355	C341-C344 PolarHBondContact O-N 3.17Å; C344-G346 PolarHBondContact O-N 3.12Å; C344-G346 PolarHBondContact SG-N 3.35Å; C344-H348 PolarHBondContact SG-CE1 3.1Å; C344-H348 PolarHBondContact SG-NE2 2.96Å; C344-R355 HydrophobicContact CB-CB 4Å; C344-R355 HydrophobicContact CB-CG 4.22Å
345	S	82.5	Confident	74.7	Confident	84 Å²	84	85.4 Å²	85.4	59%	0.587	42%	0.424	S	S	*	.			trans	60.8	20.7	-176.4	-48.3	0	0	0	0	115.1	M340 C341	M340-S345 WeakPolarHBondContact CE-O 3.31Å; C341-S345 VanDerWaalsContact O-CA 3.27Å; C341-S345 WeakPolarHBondContact O-CA 3.13Å; C341-S345 PolarHBondContact O-N 3.08Å
346	G	81.5	Confident	76.7	Confident	23 Å²	23	80 Å²	80	24%	0.237	39%	0.391	C	S	.	.	S	Bend	trans	-89.7	161.5	173.2	0	0	0	0	0	113	M340 C341 C344 H348	M340-G346 CarbonylContact C-O 3.59Å; M340-G346 WeakPolarHBondContact CA-O 3.03Å; C341-G346 PolarHBondContact N-O 2.61Å; C344-G346 PolarHBondContact O-N 3.12Å; C344-G346 PolarHBondContact SG-N 3.35Å; G346-H348 PolarHBondContact O-N 3.25Å
347	E	84.9	Confident	79.1	Confident	166 Å²	166	78 Å²	78	78%	0.776	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-78.5	78.7	179.2	-64.8	-174.7	163.9	0	0	111.9
348	H	84.4	Confident	81.1	Confident	57 Å²	57	77.4 Å²	77.4	26%	0.264	38%	0.378	S	S	.	.	S	Bend	trans	-165.5	159.8	172.7	51.7	-88.8	0	0	0	109.8	N339 C341 C344 G346 C353	N339-H348 PolarHBondContact O-N 3.44Å; C341-H348 WeakPolarHBondContact CA-O 3.41Å; C341-H348 VanDerWaalsContact CB-NE2 3.33Å; C341-H348 WeakPolarHBondContact CB-NE2 3.46Å; C341-H348 WeakPolarHBondContact CB-O 3.37Å; C341-H348 PolarHBondContact N-O 2.95Å; C344-H348 PolarHBondContact SG-CE1 3.1Å; C344-H348 PolarHBondContact SG-NE2 2.96Å; G346-H348 PolarHBondContact O-N 3.25Å; H348-C353 VanDerWaalsContact CD2-CA 3.41Å; H348-C353 WeakPolarHBondContact CD2-CA 3.14Å; H348-C353 VanDerWaalsContact NE2-CA 3.26Å; H348-C353 WeakPolarHBondContact NE2-CA 3.13Å; H348-C353 VanDerWaalsContact NE2-CB 3.33Å; H348-C353 WeakPolarHBondContact NE2-CB 3.28Å
349	E	79.5	Confident	82.9	Confident	123 Å²	123	70.2 Å²	70.2	58%	0.575	36%	0.356	S	S	*	.			trans	-63.4	149.7	174.2	-65.8	-175	177.9	0	0	112.3	A351 T352 C353	E349-A351 HydrophobicContact CB-CB 4.19Å; E349-A351 PolarHBondContact O-N 3.15Å; E349-T352 PolarHBondContact N-OG1 2.98Å; E349-T352 PolarHBondContact O-N 2.85Å; E349-T352 PolarHBondContact O-OG1 3.26Å; E349-C353 PolarHBondContact O-N 2.8Å
350	N	83.4	Confident	84.2	Confident	17 Å²	17	67.1 Å²	67.1	9%	0.091	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-50.6	-30.7	172.3	-70.7	-22.8	0	0	0	113.3	C341 S342 F343 T352 L378	C341-N350 VanDerWaalsContact CA-OD1 3.32Å; C341-N350 WeakPolarHBondContact CA-OD1 3.29Å; C341-N350 PolarHBondContact SG-OD1 3Å; C341-N350 VanDerWaalsContact SG-OD1 3.37Å; S342-N350 PolarHBondContact N-OD1 3.28Å; S342-N350 PolarHBondContact OG-ND2 2.85Å; S342-N350 PolarHBondContact OG-OD1 3.32Å; F343-N350 HydrophobicContact CD2-CB 4.09Å; F343-N350 HydrophobicContact CE2-CB 3.58Å; F343-N350 HydrophobicContact CZ-CB 4.17Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.15Å; N350-L378 HydrophobicContact CB-CB 4.03Å; N350-L378 WeakPolarHBondContact CB-O 3.38Å; N350-L378 PolarHBondContact ND2-O 3.02Å
351	A	79.8	Confident	84.6	Confident	15 Å²	15	63.8 Å²	63.8	12%	0.124	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-61.4	-30.9	175.6	0	0	0	0	0	114.9	E349 M399	E349-A351 HydrophobicContact CB-CB 4.19Å; E349-A351 PolarHBondContact O-N 3.15Å; A351-M399 WeakPolarHBondContact O-CE 3.41Å
352	T	83.7	Confident	84.7	Confident	76 Å²	76	73 Å²	73	47%	0.466	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-110.4	8.2	-172.3	45.7	0	0	0	0	112.9	E349 N350 Q354	E349-T352 PolarHBondContact N-OG1 2.98Å; E349-T352 PolarHBondContact O-N 2.85Å; E349-T352 PolarHBondContact O-OG1 3.26Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.15Å; T352-Q354 PolarHBondContact O-N 2.92Å; T352-Q354 VanDerWaalsContact O-N 3.15Å
353	C	86.6	Confident	84.9	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.378	C	S	.	.			trans	-67.9	109.4	-178.4	-179.2	0	0	0	0	114.2	C341 F343 H348 E349 F356 R357	C341-C353 WeakPolarHBondContact SG-CB 3.35Å; C341-C353 PolarHBondContact SG-SG 2.81Å; F343-C353 HydrophobicContact CD2-CB 4.23Å; H348-C353 VanDerWaalsContact CD2-CA 3.41Å; H348-C353 WeakPolarHBondContact CD2-CA 3.14Å; H348-C353 VanDerWaalsContact NE2-CA 3.26Å; H348-C353 WeakPolarHBondContact NE2-CA 3.13Å; H348-C353 VanDerWaalsContact NE2-CB 3.33Å; H348-C353 WeakPolarHBondContact NE2-CB 3.28Å; E349-C353 PolarHBondContact O-N 2.8Å; C353-F356 HydrophobicContact CB-CB 3.87Å; C353-F356 PolarHBondContact O-N 3.48Å; C353-F356 VanDerWaalsContact SG-CB 3.58Å; C353-F356 PolarHBondContact SG-N 3.37Å; C353-R357 WeakPolarHBondContact O-CB 3.42Å; C353-R357 PolarHBondContact O-N 3.4Å
354	Q	86.8	Confident	85.1	Confident	116 Å²	116	73.5 Å²	73.5	54%	0.542	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-40.8	179	-134.4	77.4	-28.4	0	0	112.2	T352 F356 R357 N358	T352-Q354 PolarHBondContact O-N 2.92Å; T352-Q354 VanDerWaalsContact O-N 3.15Å; Q354-F356 VanDerWaalsContact C-N 3.34Å; Q354-F356 PolarHBondContact O-N 3.17Å; Q354-R357 PolarHBondContact O-N 2.94Å; Q354-N358 WeakPolarHBondContact O-CB 3.32Å; Q354-N358 PolarHBondContact O-N 2.92Å; Q354-N358 PolarHBondContact O-OD1 3.2Å
355	R	86.9	Confident	85.1	Confident	180 Å²	180	75.2 Å²	75.2	68%	0.679	38%	0.382	S	S	*	.	H	α-helix	trans	-60.1	-44.5	176.7	-71.8	-162.8	-174.1	149.8	-6.2	111.1	C344 N358 V359	C344-R355 HydrophobicContact CB-CB 4Å; C344-R355 HydrophobicContact CB-CG 4.22Å; R355-N358 PolarHBondContact O-N 2.97Å; R355-V359 WeakPolarHBondContact O-CG2 3.42Å
356	F	88.3	Confident	85.3	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.009	38%	0.381	C	S	.	.	H	α-helix	trans	-65.7	-40	175.9	179.6	-108.9	0	0	0	112.2	F343 C353 Q354 N358 V359 R364 I367 V368 L378 M399 L400	F343-F356 HydrophobicContact CB-CB 3.98Å; F343-F356 HydrophobicContact CB-CD2 4.32Å; F343-F356 HydrophobicContact CB-CG 4.39Å; F343-F356 HydrophobicContact CD1-CD2 4.18Å; F343-F356 HydrophobicContact CD1-CE2 4.45Å; F343-F356 HydrophobicContact CD2-CB 3.67Å; F343-F356 AromaticContact CD2-CD1 3.89Å; F343-F356 HydrophobicContact CD2-CD1 3.89Å; F343-F356 AromaticContact CD2-CD2 3.81Å; F343-F356 HydrophobicContact CD2-CD2 3.81Å; F343-F356 HydrophobicContact CD2-CE1 4.49Å; F343-F356 HydrophobicContact CD2-CE2 4.41Å; F343-F356 AromaticContact CD2-CG 3.51Å; F343-F356 HydrophobicContact CD2-CG 3.51Å; F343-F356 HydrophobicContact CE1-CD2 4.47Å; F343-F356 HydrophobicContact CE1-CE2 4.35Å; F343-F356 HydrophobicContact CE2-CB 4.46Å; F343-F356 AromaticContact CE2-CD1 3.82Å; F343-F356 HydrophobicContact CE2-CD1 3.82Å; F343-F356 HydrophobicContact CE2-CD2 4.1Å; F343-F356 HydrophobicContact CE2-CE1 4.01Å; F343-F356 HydrophobicContact CE2-CE2 4.27Å; F343-F356 AromaticContact CE2-CG 3.87Å; F343-F356 HydrophobicContact CE2-CG 3.87Å; F343-F356 HydrophobicContact CE2-CZ 4.23Å; F343-F356 HydrophobicContact CG-CB 4.05Å; F343-F356 AromaticContact CG-CD2 3.85Å; F343-F356 HydrophobicContact CG-CD2 3.85Å; F343-F356 AromaticContact CG-CG 3.97Å; F343-F356 HydrophobicContact CG-CG 3.97Å; F343-F356 HydrophobicContact CZ-CD2 4.44Å; F343-F356 HydrophobicContact CZ-CE1 4.45Å; F343-F356 HydrophobicContact CZ-CE2 4.26Å; F343-F356 HydrophobicContact CZ-CZ 4.26Å; C353-F356 HydrophobicContact CB-CB 3.87Å; C353-F356 PolarHBondContact O-N 3.48Å; C353-F356 VanDerWaalsContact SG-CB 3.58Å; C353-F356 PolarHBondContact SG-N 3.37Å; Q354-F356 VanDerWaalsContact C-N 3.34Å; Q354-F356 PolarHBondContact O-N 3.17Å; F356-N358 VanDerWaalsContact C-N 3.28Å; F356-N358 PolarHBondContact O-N 2.99Å; F356-V359 PolarHBondContact O-N 2.81Å; F356-R364 HydrophobicContact CD2-CB 4.49Å; F356-R364 HydrophobicContact CD2-CG 4.23Å; F356-R364 HydrophobicContact CE1-CB 4.4Å; F356-R364 HydrophobicContact CE1-CG 4.27Å; F356-R364 HydrophobicContact CE2-CB 3.66Å; F356-R364 HydrophobicContact CE2-CG 3.85Å; F356-R364 HydrophobicContact CZ-CB 3.6Å; F356-R364 HydrophobicContact CZ-CG 3.87Å; F356-R364 WeakPolarHBondContact O-CG 3.38Å; F356-I367 HydrophobicContact CD2-CB 4.31Å; F356-I367 HydrophobicContact CD2-CD1 4.23Å; F356-I367 HydrophobicContact CD2-CG2 3.95Å; F356-I367 HydrophobicContact CE2-CB 4.09Å; F356-I367 HydrophobicContact CE2-CG2 4.01Å; F356-V368 HydrophobicContact CE2-CG2 3.74Å; F356-V368 HydrophobicContact CZ-CG2 3.51Å; F356-L378 HydrophobicContact CE1-CD1 4.27Å; F356-L378 HydrophobicContact CE1-CD2 4.35Å; F356-L378 HydrophobicContact CZ-CD2 4.37Å; F356-M399 HydrophobicContact CD1-SD 4.1Å; F356-M399 HydrophobicContact CE1-SD 4.23Å; F356-L400 HydrophobicContact CZ-CD2 4.13Å
357	R	85.8	Confident	85.6	Confident	132 Å²	132	78 Å²	78	50%	0.498	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-32.2	178.9	-155.1	172.2	-159	162.9	4.3	112.8	C353 Q354 V359 R364 M399	C353-R357 WeakPolarHBondContact O-CB 3.42Å; C353-R357 PolarHBondContact O-N 3.4Å; Q354-R357 PolarHBondContact O-N 2.94Å; R357-V359 VanDerWaalsContact C-N 3.34Å; R357-R364 PolarHBondContact O-NH2 3.15Å; R357-M399 HydrophobicContact CB-CE 3.88Å; R357-M399 HydrophobicContact CG-CE 3.5Å; R357-M399 VanDerWaalsContact CG-CE 3.5Å
358	N	86.6	Confident	85.7	Confident	131 Å²	131	70.1 Å²	70.1	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-78.9	-13.7	-179.8	-69.3	-7.1	0	0	0	113.8	Q354 R355 F356	Q354-N358 WeakPolarHBondContact O-CB 3.32Å; Q354-N358 PolarHBondContact O-N 2.92Å; Q354-N358 PolarHBondContact O-OD1 3.2Å; R355-N358 PolarHBondContact O-N 2.97Å; F356-N358 VanDerWaalsContact C-N 3.28Å; F356-N358 PolarHBondContact O-N 2.99Å
359	V	87.2	Confident	85.7	Confident	47 Å²	47	75.1 Å²	75.1	29%	0.285	36%	0.358	S	S	.	.	S	Bend	trans	-74.3	141.1	173.3	-177.6	0	0	0	0	109.5	R355 F356 R357 G363 R364 I367	R355-V359 WeakPolarHBondContact O-CG2 3.42Å; F356-V359 PolarHBondContact O-N 2.81Å; R357-V359 VanDerWaalsContact C-N 3.34Å; V359-G363 VanDerWaalsContact CG1-C 3.43Å; V359-G363 VanDerWaalsContact CG1-CA 3.47Å; V359-R364 HydrophobicContact CB-CG 4.07Å; V359-R364 HydrophobicContact CG1-CG 4.43Å; V359-R364 PolarHBondContact O-NE 2.95Å; V359-R364 PolarHBondContact O-NH2 2.91Å; V359-R364 VanDerWaalsContact O-NH2 3.15Å; V359-I367 HydrophobicContact CB-CD1 4.29Å; V359-I367 HydrophobicContact CG1-CD1 4.12Å; V359-I367 HydrophobicContact CG2-CD1 3.81Å
360	A	84.7	Confident	86	Confident	72 Å²	72	75.3 Å²	75.3	60%	0.595	36%	0.36	S	S	*	.			trans	-57.9	153.8	173.5	0	0	0	0	0	111.3	K362 G363 R364	A360-K362 VanDerWaalsContact C-N 3.26Å; A360-K362 PolarHBondContact O-N 3.33Å; A360-K362 VanDerWaalsContact O-N 3.13Å; A360-G363 WeakPolarHBondContact O-CA 3.49Å; A360-G363 PolarHBondContact O-N 2.95Å; A360-R364 PolarHBondContact O-N 2.88Å
361	V	84.7	Confident	86	Confident	24 Å²	24	79.7 Å²	79.7	15%	0.145	38%	0.378	C	S	.	.	H	α-helix	trans	-51.9	-44.2	-174.3	176.9	0	0	0	0	112	G363 R364 W365 L400 E402	V361-G363 VanDerWaalsContact C-N 3.34Å; V361-G363 PolarHBondContact O-N 3.19Å; V361-R364 PolarHBondContact O-N 3.21Å; V361-W365 VanDerWaalsContact O-CD1 3.23Å; V361-W365 PolarHBondContact O-N 3.18Å; V361-W365 VanDerWaalsContact O-N 3.09Å; V361-L400 WeakPolarHBondContact CG1-O 3.39Å; V361-E402 HydrophobicContact CG2-CB 4.21Å; V361-E402 HydrophobicContact CG2-CG 4.23Å
362	K	85.6	Confident	86	Confident	194 Å²	194	88.8 Å²	88.8	84%	0.843	41%	0.409	S	S	*	.	H	α-helix	trans	-56.3	-43.6	173.8	-100.6	-175.6	176.3	-180	0	113.2	A360 W365 K366	A360-K362 VanDerWaalsContact C-N 3.26Å; A360-K362 PolarHBondContact O-N 3.33Å; A360-K362 VanDerWaalsContact O-N 3.13Å; K362-W365 PolarHBondContact O-N 3.05Å; K362-K366 PolarHBondContact O-N 3.02Å
363	G	87.6	Confident	85.9	Confident	24 Å²	24	85.4 Å²	85.4	25%	0.247	39%	0.389	C	S	.	.	H	α-helix	trans	-70.6	-34.6	178.3	0	0	0	0	0	112.6	V359 A360 V361 W365 K366 I367	V359-G363 VanDerWaalsContact CG1-C 3.43Å; V359-G363 VanDerWaalsContact CG1-CA 3.47Å; A360-G363 WeakPolarHBondContact O-CA 3.49Å; A360-G363 PolarHBondContact O-N 2.95Å; V361-G363 VanDerWaalsContact C-N 3.34Å; V361-G363 PolarHBondContact O-N 3.19Å; G363-W365 VanDerWaalsContact C-N 3.34Å; G363-W365 PolarHBondContact O-N 2.98Å; G363-K366 WeakPolarHBondContact O-CB 3.44Å; G363-K366 PolarHBondContact O-N 3.44Å; G363-K366 VanDerWaalsContact O-N 3.14Å; G363-I367 WeakPolarHBondContact O-CG1 3.05Å; G363-I367 PolarHBondContact O-N 3.23Å
364	R	90.2	Very high	85.5	Confident	39 Å²	39	85.5 Å²	85.5	15%	0.147	39%	0.389	C	S	.	.	H	α-helix	trans	-61.1	-43	172.7	-67.8	-176.2	-141.6	158.2	7.5	111.8	F356 R357 V359 A360 V361 K366 I367 V368 M399 L400	F356-R364 HydrophobicContact CD2-CB 4.49Å; F356-R364 HydrophobicContact CD2-CG 4.23Å; F356-R364 HydrophobicContact CE1-CB 4.4Å; F356-R364 HydrophobicContact CE1-CG 4.27Å; F356-R364 HydrophobicContact CE2-CB 3.66Å; F356-R364 HydrophobicContact CE2-CG 3.85Å; F356-R364 HydrophobicContact CZ-CB 3.6Å; F356-R364 HydrophobicContact CZ-CG 3.87Å; F356-R364 WeakPolarHBondContact O-CG 3.38Å; R357-R364 PolarHBondContact O-NH2 3.15Å; V359-R364 HydrophobicContact CB-CG 4.07Å; V359-R364 HydrophobicContact CG1-CG 4.43Å; V359-R364 PolarHBondContact O-NE 2.95Å; V359-R364 PolarHBondContact O-NH2 2.91Å; V359-R364 VanDerWaalsContact O-NH2 3.15Å; A360-R364 PolarHBondContact O-N 2.88Å; V361-R364 PolarHBondContact O-N 3.21Å; R364-K366 VanDerWaalsContact C-N 3.29Å; R364-K366 PolarHBondContact O-N 3.33Å; R364-I367 PolarHBondContact O-N 2.97Å; R364-V368 WeakPolarHBondContact O-CG2 3.47Å; R364-V368 PolarHBondContact O-N 3.3Å; R364-M399 WeakPolarHBondContact CD-O 3.16Å; R364-M399 PolarHBondContact NH1-O 3.36Å; R364-L400 HydrophobicContact CB-CD2 4Å
365	W	85.5	Confident	85.3	Confident	58 Å²	58	82.2 Å²	82.2	22%	0.22	37%	0.373	C	S	.	.	H	α-helix	trans	-60.5	-38.2	174	-82.4	101.5	0	0	0	112.6	V361 K362 G363 R369 F375 Y396 L400	V361-W365 VanDerWaalsContact O-CD1 3.23Å; V361-W365 PolarHBondContact O-N 3.18Å; V361-W365 VanDerWaalsContact O-N 3.09Å; K362-W365 PolarHBondContact O-N 3.05Å; G363-W365 VanDerWaalsContact C-N 3.34Å; G363-W365 PolarHBondContact O-N 2.98Å; W365-R369 WeakPolarHBondContact O-CG 3.33Å; W365-R369 PolarHBondContact O-N 3.2Å; W365-F375 HydrophobicContact CE3-CD1 4.2Å; W365-F375 HydrophobicContact CE3-CE1 4.18Å; W365-F375 AromaticContact CZ3-CD1 3.67Å; W365-F375 HydrophobicContact CZ3-CD1 3.67Å; W365-F375 AromaticContact CZ3-CE1 3.92Å; W365-F375 HydrophobicContact CZ3-CE1 3.92Å; W365-F375 HydrophobicContact CZ3-CG 4.07Å; W365-F375 HydrophobicContact CZ3-CZ 4.48Å; W365-Y396 AromaticContact CH2-CD1 3.96Å; W365-Y396 HydrophobicContact CH2-CD1 3.96Å; W365-Y396 HydrophobicContact CH2-CE1 4.13Å; W365-Y396 HydrophobicContact CH2-CG 4.31Å; W365-L400 HydrophobicContact CD2-CD2 4.35Å; W365-L400 HydrophobicContact CG-CD2 4.45Å; W365-L400 HydrophobicContact CZ2-CB 4.04Å; W365-L400 PolarHBondContact NE1-O 3.49Å
366	K	88.5	Confident	84.7	Confident	126 Å²	126	74.5 Å²	74.5	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-48.9	175.6	-169.8	178	174.3	-176.8	0	111.1	K362 G363 R364 V368 R369 E370	K362-K366 PolarHBondContact O-N 3.02Å; G363-K366 WeakPolarHBondContact O-CB 3.44Å; G363-K366 PolarHBondContact O-N 3.44Å; G363-K366 VanDerWaalsContact O-N 3.14Å; R364-K366 VanDerWaalsContact C-N 3.29Å; R364-K366 PolarHBondContact O-N 3.33Å; K366-V368 PolarHBondContact O-N 3.05Å; K366-R369 PolarHBondContact O-N 3.27Å; K366-E370 WeakPolarHBondContact CE-OE1 3.43Å; K366-E370 IonicContact NZ-OE1 2.94Å; K366-E370 PolarHBondContact O-N 2.76Å
367	I	87.1	Confident	84.1	Confident	39 Å²	39	76 Å²	76	20%	0.2	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-45.9	178.8	-67.3	167.2	0	0	0	111.6	F343 F356 V359 G363 R364 R369 E370 K371	F343-I367 HydrophobicContact CB-CG2 4.44Å; F343-I367 HydrophobicContact CD1-CG2 3.55Å; F343-I367 HydrophobicContact CE1-CG2 4.15Å; F343-I367 HydrophobicContact CG-CG2 4.25Å; F356-I367 HydrophobicContact CD2-CB 4.31Å; F356-I367 HydrophobicContact CD2-CD1 4.23Å; F356-I367 HydrophobicContact CD2-CG2 3.95Å; F356-I367 HydrophobicContact CE2-CB 4.09Å; F356-I367 HydrophobicContact CE2-CG2 4.01Å; V359-I367 HydrophobicContact CB-CD1 4.29Å; V359-I367 HydrophobicContact CG1-CD1 4.12Å; V359-I367 HydrophobicContact CG2-CD1 3.81Å; G363-I367 WeakPolarHBondContact O-CG1 3.05Å; G363-I367 PolarHBondContact O-N 3.23Å; R364-I367 PolarHBondContact O-N 2.97Å; I367-R369 VanDerWaalsContact C-N 3.3Å; I367-R369 PolarHBondContact O-N 3.38Å; I367-E370 PolarHBondContact O-N 3.48Å; I367-K371 HydrophobicContact CG2-CG 4.21Å; I367-K371 WeakPolarHBondContact O-CB 3.18Å; I367-K371 WeakPolarHBondContact O-CG 3.3Å; I367-K371 PolarHBondContact O-N 3.5Å
368	V	87.6	Confident	83.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-35.6	-179.6	176	0	0	0	0	111.7	F343 F356 R364 K366 R372 A373 F375 L378 L400	F343-V368 HydrophobicContact CE1-CG2 4.13Å; F343-V368 HydrophobicContact CZ-CG2 4.08Å; F356-V368 HydrophobicContact CE2-CG2 3.74Å; F356-V368 HydrophobicContact CZ-CG2 3.51Å; R364-V368 WeakPolarHBondContact O-CG2 3.47Å; R364-V368 PolarHBondContact O-N 3.3Å; K366-V368 PolarHBondContact O-N 3.05Å; V368-R372 PolarHBondContact O-N 3.32Å; V368-R372 VanDerWaalsContact O-N 3.15Å; V368-A373 HydrophobicContact CG1-CB 4.05Å; V368-A373 WeakPolarHBondContact CG1-O 3.37Å; V368-A373 PolarHBondContact O-N 2.9Å; V368-F375 HydrophobicContact CB-CD1 4.44Å; V368-F375 HydrophobicContact CB-CE1 4.42Å; V368-F375 HydrophobicContact CG1-CD1 3.46Å; V368-F375 VanDerWaalsContact CG1-CD1 3.46Å; V368-F375 HydrophobicContact CG1-CE1 3.62Å; V368-L378 HydrophobicContact CG2-CD2 3.82Å; V368-L400 HydrophobicContact CG2-CD2 4.04Å
369	R	83.3	Confident	83	Confident	162 Å²	162	64.5 Å²	64.5	61%	0.611	31%	0.31	S	S	*	.	H	α-helix	trans	-69	-46.9	173.2	-74.2	-176	-145	143.3	5.6	112.4	W365 K366 I367 K371 R372 F375	W365-R369 WeakPolarHBondContact O-CG 3.33Å; W365-R369 PolarHBondContact O-N 3.2Å; K366-R369 PolarHBondContact O-N 3.27Å; I367-R369 VanDerWaalsContact C-N 3.3Å; I367-R369 PolarHBondContact O-N 3.38Å; R369-K371 VanDerWaalsContact C-N 3.33Å; R369-K371 PolarHBondContact O-N 3.46Å; R369-R372 PolarHBondContact O-N 3.08Å; R369-R372 VanDerWaalsContact O-N 3.16Å; R369-F375 HydrophobicContact CG-CE1 4.29Å; R369-F375 HydrophobicContact CG-CZ 4.34Å
370	E	85.8	Confident	82	Confident	128 Å²	128	65.4 Å²	65.4	60%	0.598	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-41.2	179.7	-79.3	173.8	171.9	0	0	111.7	K366 I367 R372	K366-E370 WeakPolarHBondContact CE-OE1 3.43Å; K366-E370 IonicContact NZ-OE1 2.94Å; K366-E370 PolarHBondContact O-N 2.76Å; I367-E370 PolarHBondContact O-N 3.48Å; E370-R372 VanDerWaalsContact C-N 3.29Å; E370-R372 PolarHBondContact O-N 2.96Å
371	K	83.7	Confident	80.7	Confident	108 Å²	108	67 Å²	67	47%	0.47	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.5	177.8	-63.8	-68.6	-172.8	170	0	114.1	S342 F343 I367 R369 A373	S342-K371 WeakPolarHBondContact O-CD 3.45Å; S342-K371 VanDerWaalsContact O-CE 3.23Å; S342-K371 WeakPolarHBondContact O-CE 3.31Å; S342-K371 PolarHBondContact O-NZ 2.69Å; F343-K371 HydrophobicContact CD1-CG 4.32Å; I367-K371 HydrophobicContact CG2-CG 4.21Å; I367-K371 WeakPolarHBondContact O-CB 3.18Å; I367-K371 WeakPolarHBondContact O-CG 3.3Å; I367-K371 PolarHBondContact O-N 3.5Å; R369-K371 VanDerWaalsContact C-N 3.33Å; R369-K371 PolarHBondContact O-N 3.46Å; K371-A373 PolarHBondContact O-N 2.82Å; K371-A373 VanDerWaalsContact O-N 3.1Å
372	R	80	Confident	79.4	Confident	207 Å²	207	71.5 Å²	71.5	78%	0.781	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.1	-177.1	-60.7	-176.7	175.7	-177.3	-0.7	114.3	V368 R369 E370	V368-R372 PolarHBondContact O-N 3.32Å; V368-R372 VanDerWaalsContact O-N 3.15Å; R369-R372 PolarHBondContact O-N 3.08Å; R369-R372 VanDerWaalsContact O-N 3.16Å; E370-R372 VanDerWaalsContact C-N 3.29Å; E370-R372 PolarHBondContact O-N 2.96Å
373	A	81.2	Confident	77.9	Confident	5 Å²	5	68.1 Å²	68.1	4%	0.041	33%	0.326	C	S	.	.			trans	-78.7	148.9	-179.7	0	0	0	0	0	111.5	F343 V368 K371 F375 G379	F343-A373 HydrophobicContact CE1-CB 4.09Å; F343-A373 HydrophobicContact CZ-CB 4.26Å; V368-A373 HydrophobicContact CG1-CB 4.05Å; V368-A373 WeakPolarHBondContact CG1-O 3.37Å; V368-A373 PolarHBondContact O-N 2.9Å; K371-A373 PolarHBondContact O-N 2.82Å; K371-A373 VanDerWaalsContact O-N 3.1Å; A373-F375 PolarHBondContact O-N 2.99Å; A373-G379 WeakPolarHBondContact CA-O 3.12Å
374	C	78.8	Confident	76.3	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.014	33%	0.33	C	S	.	.			trans	-65.2	131.7	178.2	-178.5	0	0	0	0	111.8	L376 S377 L378 G379	C374-L376 PolarHBondContact O-N 2.82Å; C374-L376 VanDerWaalsContact O-N 3.12Å; C374-L376 PolarHBondContact SG-N 3.36Å; C374-S377 VanDerWaalsContact CB-OG 3.27Å; C374-S377 WeakPolarHBondContact CB-OG 3.33Å; C374-L378 WeakPolarHBondContact O-CA 3.46Å; C374-L378 PolarHBondContact O-N 3.44Å; C374-G379 PolarHBondContact N-O 3.47Å
375	F	81.6	Confident	74.8	Confident	47 Å²	47	74 Å²	74	21%	0.206	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.6	179.1	-51.1	-56.6	0	0	0	114.4	W365 V368 R369 A373 M384 Y396 L400	W365-F375 HydrophobicContact CE3-CD1 4.2Å; W365-F375 HydrophobicContact CE3-CE1 4.18Å; W365-F375 AromaticContact CZ3-CD1 3.67Å; W365-F375 HydrophobicContact CZ3-CD1 3.67Å; W365-F375 AromaticContact CZ3-CE1 3.92Å; W365-F375 HydrophobicContact CZ3-CE1 3.92Å; W365-F375 HydrophobicContact CZ3-CG 4.07Å; W365-F375 HydrophobicContact CZ3-CZ 4.48Å; V368-F375 HydrophobicContact CB-CD1 4.44Å; V368-F375 HydrophobicContact CB-CE1 4.42Å; V368-F375 HydrophobicContact CG1-CD1 3.46Å; V368-F375 VanDerWaalsContact CG1-CD1 3.46Å; V368-F375 HydrophobicContact CG1-CE1 3.62Å; R369-F375 HydrophobicContact CG-CE1 4.29Å; R369-F375 HydrophobicContact CG-CZ 4.34Å; A373-F375 PolarHBondContact O-N 2.99Å; F375-M384 HydrophobicContact CD2-CE 4.01Å; F375-M384 HydrophobicContact CD2-CG 4.36Å; F375-M384 HydrophobicContact CD2-SD 3.53Å; F375-M384 VanDerWaalsContact CD2-SD 3.53Å; F375-M384 HydrophobicContact CE2-SD 3.99Å; F375-Y396 HydrophobicContact CB-CD1 4.04Å; F375-Y396 HydrophobicContact CB-CE1 4.45Å; F375-L400 HydrophobicContact CB-CD1 4.28Å; F375-L400 HydrophobicContact CD1-CD1 4.47Å
376	L	75.9	Confident	73.5	Confident	18 Å²	18	76.7 Å²	76.7	9%	0.094	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-51.7	177.4	-67.3	171.1	0	0	0	111.9	C374 K390 V394 R397	C374-L376 PolarHBondContact O-N 2.82Å; C374-L376 VanDerWaalsContact O-N 3.12Å; C374-L376 PolarHBondContact SG-N 3.36Å; L376-K390 HydrophobicContact CD1-CG 4.09Å; L376-V394 WeakPolarHBondContact CD2-O 3.21Å; L376-R397 WeakPolarHBondContact O-CD 3.41Å; L376-R397 WeakPolarHBondContact O-CG 3.5Å
377	S	75	Confident	72.4	Confident	34 Å²	34	71 Å²	71	24%	0.238	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-15.8	-176.4	65.3	0	0	0	0	114.4	C374 G379	C374-S377 VanDerWaalsContact CB-OG 3.27Å; C374-S377 WeakPolarHBondContact CB-OG 3.33Å; S377-G379 PolarHBondContact O-N 3.34Å; S377-G379 PolarHBondContact OG-N 3.08Å
378	L	79.7	Confident	71.1	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.358	C	S	.	.			trans	57	12.2	-165.8	-59.6	170.1	0	0	0	113.6	F343 N350 F356 V368 C374 M399 L400	F343-L378 HydrophobicContact CE2-CB 4.26Å; F343-L378 HydrophobicContact CZ-CB 4.09Å; F343-L378 HydrophobicContact CZ-CD2 4.08Å; N350-L378 HydrophobicContact CB-CB 4.03Å; N350-L378 WeakPolarHBondContact CB-O 3.38Å; N350-L378 PolarHBondContact ND2-O 3.02Å; F356-L378 HydrophobicContact CE1-CD1 4.27Å; F356-L378 HydrophobicContact CE1-CD2 4.35Å; F356-L378 HydrophobicContact CZ-CD2 4.37Å; V368-L378 HydrophobicContact CG2-CD2 3.82Å; C374-L378 WeakPolarHBondContact O-CA 3.46Å; C374-L378 PolarHBondContact O-N 3.44Å; L378-M399 HydrophobicContact CD1-SD 4.41Å; L378-L400 HydrophobicContact CD2-CD1 4.05Å; L378-L400 HydrophobicContact CD2-CG 4.45Å
379	G	70.4	Confident	69.9	Low	21 Å²	21	77.9 Å²	77.9	22%	0.216	38%	0.379	C	S	.	.			trans	-80.4	143.6	178.6	0	0	0	0	0	112.5	A373 C374 S377 S381	A373-G379 WeakPolarHBondContact CA-O 3.12Å; C374-G379 PolarHBondContact N-O 3.47Å; S377-G379 PolarHBondContact O-N 3.34Å; S377-G379 PolarHBondContact OG-N 3.08Å; G379-S381 VanDerWaalsContact C-N 3.35Å
380	S	64.6	Low	68.6	Low	66 Å²	66	75.4 Å²	75.4	46%	0.462	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.6	-179.8	11.2	0	0	0	0	113.7
381	S	58	Low	67.2	Low	104 Å²	104	78.1 Å²	78.1	73%	0.727	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	2.3	-164.8	59.5	0	0	0	0	116.1	G379	G379-S381 VanDerWaalsContact C-N 3.35Å
382	R	56.8	Low	65.7	Low	119 Å²	119	79.7 Å²	79.7	45%	0.449	39%	0.394	S	S	.	.			trans	-135.6	118.5	-179.9	-66.5	-175	-167	-175.7	2.6	111.1	E386 S388	R382-E386 HydrophobicContact CB-CB 4.49Å; R382-S388 PolarHBondContact NH1-OG 3.49Å; R382-S388 VanDerWaalsContact NH1-OG 3.15Å
383	Q	55.3	Low	64.1	Low	124 Å²	124	73.2 Å²	73.2	58%	0.579	39%	0.392	S	S	*	.			trans	-59	150.6	166.5	-67	-159.8	9.1	0	0	109.1	H385 E386	Q383-H385 VanDerWaalsContact CB-CE1 3.42Å; Q383-H385 WeakPolarHBondContact CB-CE1 3.44Å; Q383-H385 VanDerWaalsContact CB-ND1 3.3Å; Q383-H385 WeakPolarHBondContact CB-ND1 3.25Å; Q383-H385 PolarHBondContact O-N 3.06Å; Q383-H385 PolarHBondContact OE1-CE1 3.46Å; Q383-H385 PolarHBondContact OE1-ND1 3.24Å; Q383-E386 PolarHBondContact O-N 3.39Å
384	M	53	Low	62.8	Low	67 Å²	67	76.7 Å²	76.7	33%	0.33	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.5	-175.8	-166.6	-173.7	-171.7	0	0	113.7	F375 K390 Y396	F375-M384 HydrophobicContact CD2-CE 4.01Å; F375-M384 HydrophobicContact CD2-CG 4.36Å; F375-M384 HydrophobicContact CD2-SD 3.53Å; F375-M384 VanDerWaalsContact CD2-SD 3.53Å; F375-M384 HydrophobicContact CE2-SD 3.99Å; M384-K390 WeakPolarHBondContact O-CE 3.48Å; M384-K390 PolarHBondContact O-NZ 3Å; M384-Y396 HydrophobicContact CE-CE1 4.27Å
385	H	58.1	Low	61.7	Low	120 Å²	120	84.3 Å²	84.3	56%	0.556	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-21	177.2	70.7	-90.1	0	0	0	113.8	Q383	Q383-H385 VanDerWaalsContact CB-CE1 3.42Å; Q383-H385 WeakPolarHBondContact CB-CE1 3.44Å; Q383-H385 VanDerWaalsContact CB-ND1 3.3Å; Q383-H385 WeakPolarHBondContact CB-ND1 3.25Å; Q383-H385 PolarHBondContact O-N 3.06Å; Q383-H385 PolarHBondContact OE1-CE1 3.46Å; Q383-H385 PolarHBondContact OE1-ND1 3.24Å
386	E	59.5	Low	60.7	Low	113 Å²	113	87.6 Å²	87.6	53%	0.528	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	2.3	-179.2	-66.2	168.6	164.3	0	0	113.3	R382 Q383 S388	R382-E386 HydrophobicContact CB-CB 4.49Å; Q383-E386 PolarHBondContact O-N 3.39Å; E386-S388 PolarHBondContact O-N 3.49Å
387	C	64.8	Low	60.2	Low	8 Å²	8	90.1 Å²	90.1	5%	0.054	47%	0.468	C	S	.	.			trans	-75	113	-179	-170.9	0	0	0	0	110.8	K389 K390	C387-K389 PolarHBondContact O-N 3.31Å; C387-K389 VanDerWaalsContact O-N 3.13Å; C387-K390 WeakPolarHBondContact O-CB 2.99Å; C387-K390 PolarHBondContact O-N 3.37Å; C387-K390 VanDerWaalsContact O-N 3.09Å
388	S	60	Low	59.6	Low	80 Å²	80	93 Å²	93	56%	0.559	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-59.6	-20.6	175.5	33.4	0	0	0	0	114	R382 E386 K390	R382-S388 PolarHBondContact NH1-OG 3.49Å; R382-S388 VanDerWaalsContact NH1-OG 3.15Å; E386-S388 PolarHBondContact O-N 3.49Å; S388-K390 PolarHBondContact O-N 3.21Å
389	K	62.3	Low	59	Low	102 Å²	102	93.8 Å²	93.8	44%	0.443	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-73	-0.4	174.5	-61.3	-162.5	174.2	-163.3	0	114.5	C387 E391	C387-K389 PolarHBondContact O-N 3.31Å; C387-K389 VanDerWaalsContact O-N 3.13Å; K389-E391 PolarHBondContact O-N 3.23Å
390	K	56.4	Low	59.1	Low	111 Å²	111	93 Å²	93	48%	0.483	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-65.8	-27.1	173.8	-115.7	175.3	175.5	165	0	112.8	L376 M384 C387 S388 E392	L376-K390 HydrophobicContact CD1-CG 4.09Å; M384-K390 WeakPolarHBondContact O-CE 3.48Å; M384-K390 PolarHBondContact O-NZ 3Å; C387-K390 WeakPolarHBondContact O-CB 2.99Å; C387-K390 PolarHBondContact O-N 3.37Å; C387-K390 VanDerWaalsContact O-N 3.09Å; S388-K390 PolarHBondContact O-N 3.21Å; K390-E392 VanDerWaalsContact C-N 3.29Å; K390-E392 PolarHBondContact O-N 3.04Å
391	E	55.6	Low	59.1	Low	184 Å²	184	93.1 Å²	93.1	86%	0.86	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-76.1	-16.2	-173.7	-62.3	-166.2	156	0	0	113.3	K389 G393	K389-E391 PolarHBondContact O-N 3.23Å; E391-G393 PolarHBondContact O-N 3.41Å
392	E	53.8	Low	58.9	Low	141 Å²	141	95.4 Å²	95.4	66%	0.659	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-89.3	7.4	-174	-66.8	-177	160.6	0	0	114.6	K390 V394	K390-E392 VanDerWaalsContact C-N 3.29Å; K390-E392 PolarHBondContact O-N 3.04Å; E392-V394 HydrophobicContact CB-CG2 3.58Å; E392-V394 PolarHBondContact O-N 3.17Å
393	G	46.1	Very low	58.5	Low	71 Å²	71	98.5 Å²	98.5	73%	0.732	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	12.9	-179.3	0	0	0	0	0	114.2	E391 Q395	E391-G393 PolarHBondContact O-N 3.41Å; G393-Q395 PolarHBondContact O-N 3.22Å
394	V	52.4	Low	57.7	Low	79 Å²	79	104 Å²	104	48%	0.479	51%	0.51	S	S	.	.			trans	-69.5	121.3	-174.4	177.7	0	0	0	0	109.4	L376 E392	L376-V394 WeakPolarHBondContact CD2-O 3.21Å; E392-V394 HydrophobicContact CB-CG2 3.58Å; E392-V394 PolarHBondContact O-N 3.17Å
395	Q	56.2	Low	56.8	Low	162 Å²	162	112.1 Å²	112.1	76%	0.757	54%	0.537	S	S	*	.			trans	-60.1	159	167.7	-73.6	-176.9	-11.1	0	0	110.3	G393 R397	G393-Q395 PolarHBondContact O-N 3.22Å; Q395-R397 PolarHBondContact O-N 3.47Å
396	Y	60.6	Low	55.7	Low	115 Å²	115	117.9 Å²	117.9	45%	0.451	55%	0.553	S	S	.	*	S	Bend	trans	-40.7	139.6	174.8	-53.2	-75.7	0	0	0	111.6	W365 F375 M384	W365-Y396 AromaticContact CH2-CD1 3.96Å; W365-Y396 HydrophobicContact CH2-CD1 3.96Å; W365-Y396 HydrophobicContact CH2-CE1 4.13Å; W365-Y396 HydrophobicContact CH2-CG 4.31Å; F375-Y396 HydrophobicContact CB-CD1 4.04Å; F375-Y396 HydrophobicContact CB-CE1 4.45Å; M384-Y396 HydrophobicContact CE-CE1 4.27Å
397	R	65.7	Low	54.5	Low	72 Å²	72	121.3 Å²	121.3	27%	0.272	57%	0.57	S	S	.	*			trans	-49.1	137	-176	-123.3	-176.2	-169.1	-119.6	10.8	109.5	L376 Q395 M399 L400	L376-R397 WeakPolarHBondContact O-CD 3.41Å; L376-R397 WeakPolarHBondContact O-CG 3.5Å; Q395-R397 PolarHBondContact O-N 3.47Å; R397-M399 PolarHBondContact O-N 3.41Å; R397-L400 PolarHBondContact O-N 2.96Å
398	P	61.6	Low	52.9	Low	93 Å²	93	131.2 Å²	131.2	60%	0.604	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-53.1	-22.4	-175.2	-28.3	33.1	0	0	0	114.7	L400 V401	P398-L400 VanDerWaalsContact C-N 3.28Å; P398-L400 PolarHBondContact O-N 3.43Å; P398-V401 PolarHBondContact O-N 3Å
399	M	67	Low	51.6	Low	18 Å²	18	131.3 Å²	131.3	9%	0.089	63%	0.625	C	S	.	*	G	3₁₀ helix	trans	-66.4	-19.4	172.5	-84.6	-163.8	162.7	0	0	114.9	A351 F356 R357 R364 L378 R397	A351-M399 WeakPolarHBondContact O-CE 3.41Å; F356-M399 HydrophobicContact CD1-SD 4.1Å; F356-M399 HydrophobicContact CE1-SD 4.23Å; R357-M399 HydrophobicContact CB-CE 3.88Å; R357-M399 HydrophobicContact CG-CE 3.5Å; R357-M399 VanDerWaalsContact CG-CE 3.5Å; R364-M399 WeakPolarHBondContact CD-O 3.16Å; R364-M399 PolarHBondContact NH1-O 3.36Å; L378-M399 HydrophobicContact CD1-SD 4.41Å; R397-M399 PolarHBondContact O-N 3.41Å
400	L	73.1	Confident	50	Low	3 Å²	3	136 Å²	136	2%	0.016	65%	0.649	C	S	.	*	G	3₁₀ helix	trans	-98.2	0.3	176.7	-70.6	172.2	0	0	0	112.5	F356 V361 R364 W365 V368 F375 L378 R397 P398	F356-L400 HydrophobicContact CZ-CD2 4.13Å; V361-L400 WeakPolarHBondContact CG1-O 3.39Å; R364-L400 HydrophobicContact CB-CD2 4Å; W365-L400 HydrophobicContact CD2-CD2 4.35Å; W365-L400 HydrophobicContact CG-CD2 4.45Å; W365-L400 HydrophobicContact CZ2-CB 4.04Å; W365-L400 PolarHBondContact NE1-O 3.49Å; V368-L400 HydrophobicContact CG2-CD2 4.04Å; F375-L400 HydrophobicContact CB-CD1 4.28Å; F375-L400 HydrophobicContact CD1-CD1 4.47Å; L378-L400 HydrophobicContact CD2-CD1 4.05Å; L378-L400 HydrophobicContact CD2-CG 4.45Å; R397-L400 PolarHBondContact O-N 2.96Å; P398-L400 VanDerWaalsContact C-N 3.28Å; P398-L400 PolarHBondContact O-N 3.43Å
401	V	64.3	Low	48.9	Very low	69 Å²	69	135.3 Å²	135.3	42%	0.418	66%	0.663	S	S	.	*	S	Bend	trans	-118.4	138.7	-176	-159.9	0	0	0	0	109.1	P398 K403	P398-V401 PolarHBondContact O-N 3Å; V401-K403 PolarHBondContact O-N 2.9Å
402	E	53.7	Low	47.8	Very low	152 Å²	152	131.7 Å²	131.7	71%	0.71	66%	0.659	S	S	*	*			trans	-74.4	106	-177.8	-155.8	146.1	-137	0	0	109.7	V361 R404	V361-E402 HydrophobicContact CG2-CB 4.21Å; V361-E402 HydrophobicContact CG2-CG 4.23Å; E402-R404 PolarHBondContact O-N 3.46Å; E402-R404 VanDerWaalsContact O-N 3.12Å
403	K	50.1	Low	46.8	Very low	184 Å²	184	133.2 Å²	133.2	80%	0.8	67%	0.665	S	S	*	*			trans	-67.9	107.4	167.6	-89.5	-170	174.9	-173.2	0	107.9	V401 R405	V401-K403 PolarHBondContact O-N 2.9Å; K403-R405 PolarHBondContact O-N 3.12Å
404	R	38.5	Very low	45.9	Very low	239 Å²	239	136.9 Å²	136.9	90%	0.902	67%	0.669	S	S	*	*			trans	-61.8	105.8	161.4	-77.2	-175	167.2	-165.5	-4.9	108	E402 R406	E402-R404 PolarHBondContact O-N 3.46Å; E402-R404 VanDerWaalsContact O-N 3.12Å; R404-R406 PolarHBondContact O-N 3.09Å
405	R	33.9	Very low	44.9	Very low	238 Å²	238	144.5 Å²	144.5	90%	0.898	69%	0.689	S	S	*	*			trans	-61.8	112.4	165.5	-85.2	-178.9	166.3	-178.2	-3.6	107.3	K403	K403-R405 PolarHBondContact O-N 3.12Å
406	R	34.4	Very low	43.5	Very low	241 Å²	241	147.2 Å²	147.2	91%	0.909	70%	0.698	S	S	*	*			trans	-104.4	128.1	149.2	-88.5	-173.9	170.1	-179	-4.1	106.9	R404	R404-R406 PolarHBondContact O-N 3.09Å
407	E	34.3	Very low	42.1	Very low	186 Å²	186	147.8 Å²	147.8	87%	0.869	71%	0.713	S	S	*	*			trans	-69.4	139.4	-175.9	-69.6	166.2	149.2	0	0	110.9
408	K	31.1	Very low	40.5	Very low	216 Å²	216	153.2 Å²	153.2	94%	0.939	74%	0.742	S	S	*	*			trans	8.6	121.7	155	-63.9	175.9	175.4	-178.7	0	118.4
409	G	31.7	Very low	38.9	Very low	81 Å²	81	157.3 Å²	157.3	84%	0.835	76%	0.759	S	S	*	*			trans	-165	101	154.1	0	0	0	0	0	108.4
410	Q	29.7	Very low	37.1	Very low	202 Å²	202	159.3 Å²	159.3	94%	0.944	78%	0.783	S	S	*	*			trans	-73	133.4	179.7	-72.8	159.3	-69.7	0	0	111.1
411	A	32.1	Very low	34.9	Very low	95 Å²	95	167.7 Å²	167.7	79%	0.785	83%	0.827	S	S	*	*			trans	-170	106	142.5	0	0	0	0	0	110.9
412	S	34.3	Very low	33.4	Very low	109 Å²	109	171.2 Å²	171.2	76%	0.762	85%	0.849	S	S	*	*			trans	26.2	109.1	138.6	-170.9	0	0	0	0	118.4
413	E	31.4	Very low	32.2	Very low	172 Å²	172	167.1 Å²	167.1	80%	0.804	85%	0.848	S	S	*	*				91.7	134.3	73.1	-158.1	159.1	-135.2	0	0	113.8
414	N	28.7	Very low	31.2	Very low	149 Å²	149	167.6 Å²	167.6	80%	0.797	85%	0.85	S	S	*	*			trans	80.2	96.1	174.1	-66.8	-24.4	0	0	0	120.6
415	R	30.4	Very low	31	Very low	239 Å²	239	162 Å²	162	90%	0.902	84%	0.844	S	S	*	*				-166.4	108.7	123.3	-105.1	167.6	-173.1	-172.4	2.1	111	V417	R415-V417 PolarHBondContact O-N 2.88Å
416	K	27.2	Very low	30.9	Very low	218 Å²	218	157 Å²	157	95%	0.948	84%	0.84	S	S	*	*			trans	-60	120.2	157.7	-71.3	176.3	176.3	176.2	0	107.5
417	V	31.2	Very low	30.7	Very low	128 Å²	128	155.8 Å²	155.8	78%	0.776	84%	0.842	S	S	*	*			trans	-126.1	133.4	165.5	178	0	0	0	0	107.8	R415	R415-V417 PolarHBondContact O-N 2.88Å
418	Q	32.1	Very low	30.5	Very low	186 Å²	186	150 Å²	150	87%	0.869	83%	0.832	S	S	*	*			trans	-62.7	143.1	-164.7	-70.1	157	-33.5	0	0	113.3	G420	Q418-G420 PolarHBondContact O-N 2.91Å
419	D	27.7	Very low	30.5	Very low	179 Å²	179	149.2 Å²	149.2	96%	0.957	82%	0.823	S	S	*	*			trans	-62.1	120.8	164.4	-151.1	-2.8	0	0	0	108.8
420	G	29	Very low	30.5	Very low	59 Å²	59	151.7 Å²	151.7	61%	0.608	82%	0.822	S	S	*	*			trans	-150.6	96.5	-169.1	0	0	0	0	0	112.6	Q418	Q418-G420 PolarHBondContact O-N 2.91Å
421	L	27.8	Very low	30.3	Very low	179 Å²	179	152 Å²	152	94%	0.937	81%	0.814	S	S	*	*			trans	58.5	71.3	151.8	-62.6	163.4	0	0	0	117.4
422	V	31.4	Very low	30.3	Very low	143 Å²	143	153.7 Å²	153.7	87%	0.867	82%	0.817	S	S	*	*			trans	-88	101.4	151.2	-179.3	0	0	0	0	108.3	K424	V422-K424 PolarHBondContact O-N 3.29Å
423	G	29.1	Very low	30.2	Very low	67 Å²	67	152 Å²	152	69%	0.691	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-55.3	123.1	174.7	0	0	0	0	0	111.8
424	K	29.5	Very low	30.3	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-53.1	136	172	-71.9	177.2	177.2	175.7	0	110.1	V422 T426	V422-K424 PolarHBondContact O-N 3.29Å; K424-T426 PolarHBondContact O-N 2.94Å
425	P	33.2	Very low	30.7	Very low	120 Å²	120	152.5 Å²	152.5	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.1	130.7	169.4	28.1	-31.4	0	0	0	108.5	K427	P425-K427 PolarHBondContact O-N 3.15Å
426	T	32.2	Very low	31.3	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-55	133.7	172.1	34.1	0	0	0	0	109.7	K424 G428	K424-T426 PolarHBondContact O-N 2.94Å; T426-G428 PolarHBondContact O-N 3.29Å
427	K	31.1	Very low	32.3	Very low	216 Å²	216	137.6 Å²	137.6	94%	0.939	77%	0.765	S	S	*	*			trans	-60	95.1	179	-70.2	178.8	176.5	-180	0	110.2	P425	P425-K427 PolarHBondContact O-N 3.15Å
428	G	30.8	Very low	33.3	Very low	64 Å²	64	140.8 Å²	140.8	66%	0.66	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-72.7	127.1	164.6	0	0	0	0	0	110	T426 V430	T426-G428 PolarHBondContact O-N 3.29Å; G428-V430 PolarHBondContact O-N 3.11Å
429	R	30.7	Very low	34.6	Very low	199 Å²	199	132.7 Å²	132.7	75%	0.751	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58	120.7	169.9	-80.7	-177.7	-174.5	-156.2	-1.3	109.1	S260	S260-R429 PolarHBondContact OG-NH1 3.25Å; S260-R429 PolarHBondContact OG-NH2 3.22Å
430	V	30.2	Very low	36.8	Very low	134 Å²	134	126.7 Å²	126.7	81%	0.812	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-85.4	120.6	167	179.6	0	0	0	0	107.4	G428	G428-V430 PolarHBondContact O-N 3.11Å
431	W	26.8	Very low	39.2	Very low	207 Å²	207	128.2 Å²	128.2	78%	0.784	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-75.3	125.5	169.9	-73.7	75.9	0	0	0	109.4	G433	W431-G433 PolarHBondContact O-N 3.14Å
432	P	31.3	Very low	42.1	Very low	131 Å²	131	120.4 Å²	120.4	85%	0.851	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	117.2	168.7	27.9	-27.9	0	0	0	108
433	G	33.3	Very low	45	Very low	75 Å²	75	116.7 Å²	116.7	77%	0.773	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.6	-11.3	-177	0	0	0	0	0	115	W431 K435	W431-G433 PolarHBondContact O-N 3.14Å; G433-K435 PolarHBondContact O-N 3.37Å
434	F	33.6	Very low	48.1	Very low	145 Å²	145	115.7 Å²	115.7	64%	0.636	61%	0.608	S	S	*	*			trans	-76.8	109.1	-178.7	-145.9	-93.9	0	0	0	111.7
435	K	36.5	Very low	51.2	Low	185 Å²	185	106.8 Å²	106.8	80%	0.804	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-70	121.7	167.6	-72.4	-175.9	-179.3	177	0	108.2	G433 T437	G433-K435 PolarHBondContact O-N 3.37Å; K435-T437 PolarHBondContact O-N 2.85Å
436	P	42.5	Very low	54.1	Low	59 Å²	59	101.1 Å²	101.1	38%	0.383	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-59.4	124.8	178.1	22.9	-31.8	0	0	0	110	K615	P436-K615 HydrophobicContact CB-CB 4.11Å; P436-K615 HydrophobicContact CG-CB 4.24Å; P436-K615 HydrophobicContact CG-CD 3.89Å
437	T	48.1	Very low	57.2	Low	85 Å²	85	98.5 Å²	98.5	52%	0.521	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-77.7	159.6	177.5	46.4	0	0	0	0	111.4	K435	K435-T437 PolarHBondContact O-N 2.85Å
438	K	52.7	Low	60.3	Low	195 Å²	195	88.2 Å²	88.2	85%	0.848	46%	0.463	S	S	*	.	S	Bend	trans	-51.1	134.1	-166.1	-64.6	177.3	177.9	178.7	0	114.3
439	G	60	Low	63.4	Low	16 Å²	16	86 Å²	86	17%	0.165	44%	0.437	C	S	.	.	S	Bend	trans	59.4	174.2	153.6	0	0	0	0	0	117.9	M610	G439-M610 CarbonylContact C-O 3.51Å; G439-M610 WeakPolarHBondContact CA-O 2.95Å
440	R	72.5	Confident	66.5	Low	53 Å²	53	76.5 Å²	76.5	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.8	169.5	-177.1	176.2	-176.1	-167.2	-5	108.4	Q542 A543 M610 V616	R440-Q542 PolarHBondContact NH2-O 3.03Å; R440-A543 PolarHBondContact NH1-O 3.41Å; R440-A543 VanDerWaalsContact NH2-C 3.31Å; R440-A543 PolarHBondContact NH2-O 2.95Å; R440-M610 HydrophobicContact CB-CE 3.85Å; R440-M610 HydrophobicContact CG-CE 3.82Å; R440-M610 PolarHBondContact N-O 2.82Å; R440-M610 WeakPolarHBondContact O-CA 3.39Å; R440-M610 WeakPolarHBondContact O-CB 3.18Å; R440-M610 PolarHBondContact O-N 3.09Å; R440-V616 HydrophobicContact CB-CG2 4.29Å
441	V	80.6	Confident	69.5	Low	92 Å²	92	73.9 Å²	73.9	56%	0.558	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.7	178.7	-177.4	0	0	0	0	110.2	G608	V441-G608 WeakPolarHBondContact CA-O 3.39Å
442	L	88.7	Confident	72.7	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.6	171.8	-66	178.7	0	0	0	110.1	N544 F563 P595 V606 C607 G608 M610	L442-N544 HydrophobicContact CD2-CB 3.99Å; L442-F563 HydrophobicContact CD1-CE1 3.99Å; L442-P595 HydrophobicContact CD1-CB 4.33Å; L442-V606 HydrophobicContact CD1-CG1 3.91Å; L442-C607 CarbonylContact O-C 3.41Å; L442-C607 WeakPolarHBondContact O-CA 3.32Å; L442-G608 PolarHBondContact N-O 2.95Å; L442-G608 PolarHBondContact O-N 3.37Å; L442-M610 HydrophobicContact CD1-CE 4.18Å; L442-M610 HydrophobicContact CD1-CG 4.29Å; L442-M610 HydrophobicContact CD1-SD 3.58Å; L442-M610 VanDerWaalsContact CD1-SD 3.58Å; L442-M610 HydrophobicContact CD2-CE 3.7Å; L442-M610 HydrophobicContact CD2-SD 4.22Å; L442-M610 HydrophobicContact CG-CE 3.69Å; L442-M610 HydrophobicContact CG-CG 4.31Å; L442-M610 HydrophobicContact CG-SD 3.75Å
443	L	91.3	Very high	75.3	Confident	64 Å²	64	63.9 Å²	63.9	34%	0.335	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-83.2	159.5	173.7	-63.1	174.4	0	0	0	110.5	T445 L463 I541 L622	L443-T445 VanDerWaalsContact C-N 3.32Å; L443-T445 HydrophobicContact CB-CG2 4.29Å; L443-T445 PolarHBondContact O-N 3.17Å; L443-L463 HydrophobicContact CB-CD1 3.96Å; L443-L463 HydrophobicContact CD1-CD1 4.38Å; L443-I541 HydrophobicContact CD1-CD1 3.95Å; L443-I541 HydrophobicContact CD1-CG1 4.37Å; L443-I541 HydrophobicContact CD1-CG2 4.44Å; L443-L622 HydrophobicContact CD1-CD1 3.91Å; L443-L622 HydrophobicContact CD1-CD2 4.43Å; L443-L622 HydrophobicContact CD1-CG 4.33Å; L443-L622 HydrophobicContact CD2-CD1 4.1Å
444	Q	93.7	Very high	77.9	Confident	47 Å²	47	64.6 Å²	64.6	22%	0.22	32%	0.322	C	S	.	.			trans	-75	81.4	176.8	-68	-170.8	27.1	0	0	110.8	L464 Y579 I605 C607	Q444-L464 HydrophobicContact CB-CB 4.11Å; Q444-L464 WeakPolarHBondContact CB-O 3.45Å; Q444-L464 WeakPolarHBondContact O-CD1 3.38Å; Q444-L464 PolarHBondContact O-N 3.18Å; Q444-Y579 VanDerWaalsContact CD-OH 3.31Å; Q444-Y579 PolarHBondContact NE2-OH 3.37Å; Q444-Y579 PolarHBondContact OE1-OH 3.17Å; Q444-I605 HydrophobicContact CB-CD1 3.61Å; Q444-I605 HydrophobicContact CG-CD1 3.73Å; Q444-C607 HydrophobicContact CG-CB 3.65Å
445	T	94.9	Very high	80.5	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.6	-179.7	55.8	0	0	0	0	112.3	L443 C462 L463 I541 D561 I570 I605	L443-T445 VanDerWaalsContact C-N 3.32Å; L443-T445 HydrophobicContact CB-CG2 4.29Å; L443-T445 PolarHBondContact O-N 3.17Å; T445-C462 WeakPolarHBondContact CA-O 3.3Å; T445-L463 HydrophobicContact CG2-CD1 3.95Å; T445-I541 HydrophobicContact CG2-CD1 3.85Å; T445-D561 WeakPolarHBondContact CB-OD2 3.42Å; T445-D561 PolarHBondContact OG1-OD2 3.47Å; T445-I570 HydrophobicContact CG2-CD1 4.27Å; T445-I605 WeakPolarHBondContact O-CG2 3.41Å
446	A	95.6	Very high	83.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.5	178.3	0	0	0	0	0	110.7	C462 L464 A560 F602 I605	A446-C462 PolarHBondContact N-O 3.01Å; A446-C462 PolarHBondContact O-N 3.18Å; A446-L464 HydrophobicContact CB-CD1 4.06Å; A446-A560 HydrophobicContact CB-CB 3.8Å; A446-F602 HydrophobicContact CB-CB 4.24Å; A446-F602 HydrophobicContact CB-CD2 3.77Å; A446-F602 HydrophobicContact CB-CG 4.31Å; A446-I605 HydrophobicContact CB-CG2 3.99Å
447	R	95.9	Very high	85.6	Confident	80 Å²	80	58.9 Å²	58.9	30%	0.302	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.6	164.4	-66.9	174.4	70.5	-163.9	-0.3	108	V459 V460 M461 L515 A560	R447-V459 HydrophobicContact CB-CG1 4.48Å; R447-V460 WeakPolarHBondContact CA-O 3.5Å; R447-M461 HydrophobicContact CB-SD 4.45Å; R447-M461 HydrophobicContact CG-CE 4.23Å; R447-M461 HydrophobicContact CG-SD 3.33Å; R447-M461 WeakPolarHBondContact CG-SD 3.35Å; R447-L515 HydrophobicContact CB-CD1 3.49Å; R447-L515 VanDerWaalsContact CB-CD1 3.49Å; R447-L515 HydrophobicContact CB-CD2 4.32Å; R447-L515 WeakPolarHBondContact O-CD1 3.38Å; R447-A560 WeakPolarHBondContact CB-O 3.4Å; R447-A560 PolarHBondContact N-O 2.92Å
448	A	96	Very high	87.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.1	175.5	0	0	0	0	0	110.7	V459 V460 L512 S513 F602	A448-V459 CarbonylContact O-C 3.54Å; A448-V459 WeakPolarHBondContact O-CA 3.43Å; A448-V460 HydrophobicContact CB-CG2 4.15Å; A448-V460 PolarHBondContact N-O 3.03Å; A448-V460 PolarHBondContact O-N 3.15Å; A448-L512 HydrophobicContact CB-CD2 4.21Å; A448-S513 WeakPolarHBondContact CA-O 3.35Å; A448-F602 HydrophobicContact CB-CD1 3.75Å; A448-F602 HydrophobicContact CB-CE1 3.48Å; A448-F602 VanDerWaalsContact CB-CE1 3.48Å; A448-F602 HydrophobicContact CB-CE2 4.5Å; A448-F602 HydrophobicContact CB-CG 4.38Å; A448-F602 HydrophobicContact CB-CZ 3.89Å
449	V	95.7	Very high	89.8	Confident	17 Å²	17	50.8 Å²	50.8	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.9	164.8	-178.4	0	0	0	0	107.3	R457 T458 L512 S513 L515 W526	V449-R457 HydrophobicContact CG1-CB 4.28Å; V449-T458 CarbonylContact C-O 3.51Å; V449-T458 WeakPolarHBondContact CA-O 3.37Å; V449-L512 CarbonylContact O-C 3.6Å; V449-L512 WeakPolarHBondContact O-CA 3.45Å; V449-S513 PolarHBondContact N-O 3.02Å; V449-S513 PolarHBondContact O-N 3.19Å; V449-L515 HydrophobicContact CG2-CG 4.28Å; V449-W526 HydrophobicContact CG1-CH2 3.93Å; V449-W526 HydrophobicContact CG1-CZ3 4.29Å
450	M	95.6	Very high	91.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.4	169.1	-172.8	-170	82.7	0	0	109.8	T452 R457 T458 V460 F473 K481 F510 A511 L512	M450-T452 HydrophobicContact CE-CG2 3.92Å; M450-R457 CarbonylContact O-C 3.59Å; M450-R457 VanDerWaalsContact O-CA 3.23Å; M450-R457 WeakPolarHBondContact O-CA 3.34Å; M450-T458 HydrophobicContact CB-CG2 4.32Å; M450-T458 HydrophobicContact CE-CG2 3.93Å; M450-T458 PolarHBondContact N-O 2.84Å; M450-T458 PolarHBondContact O-N 2.9Å; M450-V460 HydrophobicContact CB-CG1 3.85Å; M450-V460 HydrophobicContact CB-CG2 4Å; M450-V460 HydrophobicContact SD-CG1 4.24Å; M450-F473 HydrophobicContact CE-CZ 4.08Å; M450-F473 HydrophobicContact SD-CE2 3.42Å; M450-F473 WeakPolarHBondContact SD-CE2 3.49Å; M450-F473 HydrophobicContact SD-CZ 3.44Å; M450-F473 WeakPolarHBondContact SD-CZ 3.46Å; M450-K481 HydrophobicContact CE-CG 3.98Å; M450-F510 HydrophobicContact CG-CB 3.97Å; M450-F510 HydrophobicContact CG-CD2 3.74Å; M450-F510 HydrophobicContact CG-CG 4.05Å; M450-F510 HydrophobicContact SD-CB 4.13Å; M450-F510 HydrophobicContact SD-CD2 4.03Å; M450-F510 HydrophobicContact SD-CG 3.98Å; M450-A511 CarbonylContact C-O 3.56Å; M450-A511 WeakPolarHBondContact CA-O 3.49Å; M450-L512 HydrophobicContact CB-CD2 3.88Å; M450-L512 HydrophobicContact CG-CD2 4.09Å
451	R	95	Very high	92.6	Very high	78 Å²	78	48 Å²	48	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.2	167.6	-177.8	178	68.4	-173.5	-1.9	109.3	D456 R457 A511 W526	R451-D456 CarbonylContact C-O 3.58Å; R451-D456 VanDerWaalsContact CA-O 3.29Å; R451-D456 WeakPolarHBondContact CA-O 3.48Å; R451-R457 HydrophobicContact CB-CG 4.32Å; R451-R457 HydrophobicContact CG-CG 4.27Å; R451-A511 PolarHBondContact N-O 3.33Å; R451-A511 PolarHBondContact O-N 3.3Å; R451-W526 HydrophobicContact CB-CE3 3.89Å; R451-W526 HydrophobicContact CB-CH2 3.6Å; R451-W526 HydrophobicContact CB-CZ2 4.37Å; R451-W526 HydrophobicContact CB-CZ3 3.32Å; R451-W526 HydrophobicContact CG-CH2 4.44Å; R451-W526 HydrophobicContact CG-CZ3 4.48Å
452	T	93.1	Very high	93.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	23%	0.226	C	C	.	.			trans	-74.4	166.9	171.4	63.7	0	0	0	0	110.5	M450 S454 G455 D456 K481 L483	M450-T452 HydrophobicContact CE-CG2 3.92Å; T452-S454 PolarHBondContact O-N 2.69Å; T452-S454 PolarHBondContact OG1-N 3.1Å; T452-S454 PolarHBondContact OG1-OG 3.16Å; T452-G455 PolarHBondContact O-N 3.24Å; T452-G455 PolarHBondContact OG1-N 2.6Å; T452-D456 HydrophobicContact CG2-CB 4.07Å; T452-D456 PolarHBondContact N-O 2.9Å; T452-D456 WeakPolarHBondContact OG1-CB 3.09Å; T452-D456 PolarHBondContact OG1-N 3Å; T452-D456 PolarHBondContact OG1-O 2.58Å; T452-K481 HydrophobicContact CG2-CB 4.03Å; T452-K481 HydrophobicContact CG2-CD 4.26Å; T452-K481 HydrophobicContact CG2-CG 4.34Å; T452-L483 HydrophobicContact CG2-CD2 3.82Å
453	M	86.5	Confident	93.7	Very high	125 Å²	125	43 Å²	43	62%	0.616	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.6	174.2	-52	-53.4	-98.4	0	0	112.4	G455 Q509	M453-G455 PolarHBondContact O-N 2.69Å; M453-Q509 HydrophobicContact CE-CG 4.27Å; M453-Q509 HydrophobicContact SD-CG 4.48Å
454	S	86.7	Confident	93.9	Very high	90 Å²	90	40.2 Å²	40.2	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.2	170.5	57.9	0	0	0	0	113.9	T452 D456	T452-S454 PolarHBondContact O-N 2.69Å; T452-S454 PolarHBondContact OG1-N 3.1Å; T452-S454 PolarHBondContact OG1-OG 3.16Å; S454-D456 PolarHBondContact OG-OD2 3.15Å
455	G	89	Confident	93.8	Very high	37 Å²	37	39.8 Å²	39.8	38%	0.381	21%	0.208	S	C	.	.			trans	95	-5.1	-179.1	0	0	0	0	0	115.2	T452 M453 R457	T452-G455 PolarHBondContact O-N 3.24Å; T452-G455 PolarHBondContact OG1-N 2.6Å; M453-G455 PolarHBondContact O-N 2.69Å; G455-R457 PolarHBondContact O-N 2.92Å
456	D	91.2	Very high	93.6	Very high	81 Å²	81	41.7 Å²	41.7	43%	0.433	22%	0.224	S	C	.	.			trans	-64.3	130.2	179.5	-66.1	-51.6	0	0	0	111.5	R451 T452 S454	R451-D456 CarbonylContact C-O 3.58Å; R451-D456 VanDerWaalsContact CA-O 3.29Å; R451-D456 WeakPolarHBondContact CA-O 3.48Å; T452-D456 HydrophobicContact CG2-CB 4.07Å; T452-D456 PolarHBondContact N-O 2.9Å; T452-D456 WeakPolarHBondContact OG1-CB 3.09Å; T452-D456 PolarHBondContact OG1-N 3Å; T452-D456 PolarHBondContact OG1-O 2.58Å; S454-D456 PolarHBondContact OG-OD2 3.15Å
457	R	93.8	Very high	93.1	Very high	151 Å²	151	45.1 Å²	45.1	57%	0.57	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.6	-179.1	-58.5	-176.9	-171.7	-177.4	2.4	111.9	V449 M450 R451 G455	V449-R457 HydrophobicContact CG1-CB 4.28Å; M450-R457 CarbonylContact O-C 3.59Å; M450-R457 VanDerWaalsContact O-CA 3.23Å; M450-R457 WeakPolarHBondContact O-CA 3.34Å; R451-R457 HydrophobicContact CB-CG 4.32Å; R451-R457 HydrophobicContact CG-CG 4.27Å; G455-R457 PolarHBondContact O-N 2.92Å
458	T	94.6	Very high	92.8	Very high	43 Å²	43	42 Å²	42	26%	0.264	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.4	171.4	-155.8	0	0	0	0	110.9	V449 M450 V460	V449-T458 CarbonylContact C-O 3.51Å; V449-T458 WeakPolarHBondContact CA-O 3.37Å; M450-T458 HydrophobicContact CB-CG2 4.32Å; M450-T458 HydrophobicContact CE-CG2 3.93Å; M450-T458 PolarHBondContact N-O 2.84Å; M450-T458 PolarHBondContact O-N 2.9Å; T458-V460 HydrophobicContact CG2-CG1 3.78Å
459	V	95.2	Very high	92.4	Very high	68 Å²	68	50.1 Å²	50.1	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	174.4	178.8	0	0	0	0	108.3	R447 A448 L515	R447-V459 HydrophobicContact CB-CG1 4.48Å; A448-V459 CarbonylContact O-C 3.54Å; A448-V459 WeakPolarHBondContact O-CA 3.43Å; V459-L515 HydrophobicContact CG1-CD2 4.41Å
460	V	95.9	Very high	92.2	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.6	-179.4	-63.9	0	0	0	0	110.7	R447 A448 M450 T458 L477 L512 D571 V572	R447-V460 WeakPolarHBondContact CA-O 3.5Å; A448-V460 HydrophobicContact CB-CG2 4.15Å; A448-V460 PolarHBondContact N-O 3.03Å; A448-V460 PolarHBondContact O-N 3.15Å; M450-V460 HydrophobicContact CB-CG1 3.85Å; M450-V460 HydrophobicContact CB-CG2 4Å; M450-V460 HydrophobicContact SD-CG1 4.24Å; T458-V460 HydrophobicContact CG2-CG1 3.78Å; V460-L477 HydrophobicContact CG1-CD2 3.62Å; V460-L512 HydrophobicContact CG2-CD2 3.98Å; V460-D571 WeakPolarHBondContact CA-OD2 3.5Å; V460-D571 HydrophobicContact CB-CB 3.95Å; V460-D571 HydrophobicContact CG1-CB 4.24Å; V460-V572 HydrophobicContact CB-CG2 4.21Å; V460-V572 HydrophobicContact CG2-CG2 4.06Å
461	M	95.4	Very high	92.2	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.034	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.5	167	-73.5	-58.3	-54.5	0	0	110.5	R447 F568 I570 D571 V572	R447-M461 HydrophobicContact CB-SD 4.45Å; R447-M461 HydrophobicContact CG-CE 4.23Å; R447-M461 HydrophobicContact CG-SD 3.33Å; R447-M461 WeakPolarHBondContact CG-SD 3.35Å; M461-F568 HydrophobicContact CB-CD1 4.12Å; M461-F568 HydrophobicContact CB-CE1 4.25Å; M461-F568 HydrophobicContact CG-CD1 3.31Å; M461-F568 HydrophobicContact CG-CE1 3.36Å; M461-F568 HydrophobicContact CG-CG 4.19Å; M461-F568 HydrophobicContact CG-CZ 4.27Å; M461-I570 HydrophobicContact CB-CD1 4.21Å; M461-D571 PolarHBondContact N-OD2 2.9Å; M461-D571 PolarHBondContact O-N 3.42Å; M461-V572 PolarHBondContact O-N 3.32Å; M461-V572 VanDerWaalsContact O-N 3.15Å
462	C	96.4	Very high	92.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.5	175.3	-59.6	0	0	0	0	110.9	T445 A446 V572 I574	T445-C462 WeakPolarHBondContact CA-O 3.3Å; A446-C462 PolarHBondContact N-O 3.01Å; A446-C462 PolarHBondContact O-N 3.18Å; C462-V572 CarbonylContact C-O 3.59Å; C462-V572 VanDerWaalsContact CA-O 3.25Å; C462-V572 WeakPolarHBondContact CA-O 3.48Å; C462-I574 HydrophobicContact CB-CD1 4.22Å
463	L	95.5	Very high	92.2	Very high	3 Å²	3	51 Å²	51	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.6	163.7	175.1	67	0	0	0	108	L443 T445 D465 I541 I570 V572 L573 I574 L622	L443-L463 HydrophobicContact CB-CD1 3.96Å; L443-L463 HydrophobicContact CD1-CD1 4.38Å; T445-L463 HydrophobicContact CG2-CD1 3.95Å; L463-D465 HydrophobicContact CG-CB 4.49Å; L463-I541 HydrophobicContact CD1-CD1 4.41Å; L463-I570 HydrophobicContact CB-CD1 3.88Å; L463-I570 HydrophobicContact CB-CG1 3.93Å; L463-I570 HydrophobicContact CB-CG2 3.8Å; L463-I570 HydrophobicContact CD2-CG1 4.43Å; L463-V572 PolarHBondContact N-O 2.93Å; L463-L573 HydrophobicContact CD2-CD1 4.21Å; L463-L573 CarbonylContact O-C 3.52Å; L463-L573 WeakPolarHBondContact O-CA 3.41Å; L463-I574 PolarHBondContact O-N 3.03Å; L463-L622 HydrophobicContact CD2-CD1 3.73Å; L463-L622 HydrophobicContact CD2-CD2 4.34Å
464	L	95.6	Very high	92.5	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.8	174	-60.7	86.8	0	0	0	107.8	Q444 A446 I574 Y579 F582 V583 T600	Q444-L464 HydrophobicContact CB-CB 4.11Å; Q444-L464 WeakPolarHBondContact CB-O 3.45Å; Q444-L464 WeakPolarHBondContact O-CD1 3.38Å; Q444-L464 PolarHBondContact O-N 3.18Å; A446-L464 HydrophobicContact CB-CD1 4.06Å; L464-I574 HydrophobicContact CG-CD1 4.47Å; L464-Y579 HydrophobicContact CB-CD2 4.03Å; L464-Y579 HydrophobicContact CB-CE2 3.73Å; L464-F582 HydrophobicContact CD2-CB 4.1Å; L464-V583 HydrophobicContact CD2-CG2 3.53Å; L464-T600 HydrophobicContact CD2-CG2 4.37Å
465	D	92.2	Very high	92.7	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	25%	0.249	C	C	.	.			trans	-128.2	99.4	-171.6	-170.6	0.3	0	0	0	111.1	L463 G467 S468 L573 I574	L463-D465 HydrophobicContact CG-CB 4.49Å; D465-G467 PolarHBondContact O-N 2.57Å; D465-G467 WeakPolarHBondContact OD1-CA 3.49Å; D465-G467 PolarHBondContact OD1-N 3.09Å; D465-S468 PolarHBondContact O-N 2.95Å; D465-L573 HydrophobicContact CB-CD1 4.05Å; D465-L573 HydrophobicContact CB-CD2 4.08Å; D465-L573 HydrophobicContact CB-CG 4.03Å; D465-I574 PolarHBondContact N-O 2.77Å
466	A	90	Very high	92.8	Very high	47 Å²	47	47.7 Å²	47.7	39%	0.388	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.9	174.7	0	0	0	0	0	113.2	L576 Y579	A466-L576 HydrophobicContact CB-CD2 3.88Å; A466-L576 HydrophobicContact CB-CG 4.44Å; A466-L576 WeakPolarHBondContact O-CD1 3.34Å; A466-L576 VanDerWaalsContact O-CG 3.3Å; A466-L576 WeakPolarHBondContact O-CG 3.35Å; A466-Y579 HydrophobicContact CB-CD2 4.33Å; A466-Y579 HydrophobicContact CB-CE2 4.12Å
467	G	86.8	Confident	92.9	Very high	71 Å²	71	44 Å²	44	73%	0.732	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.7	172.7	0	0	0	0	0	114	D465	D465-G467 PolarHBondContact O-N 2.57Å; D465-G467 WeakPolarHBondContact OD1-CA 3.49Å; D465-G467 PolarHBondContact OD1-N 3.09Å
468	S	87.7	Confident	92.8	Very high	16 Å²	16	36.8 Å²	36.8	11%	0.112	21%	0.207	C	C	.	.			trans	-105.5	126.9	178.1	-173.7	0	0	0	0	110.7	D465 R470 F472 G575 L576	D465-S468 PolarHBondContact O-N 2.95Å; S468-R470 VanDerWaalsContact C-N 3.31Å; S468-R470 PolarHBondContact O-N 2.83Å; S468-R470 PolarHBondContact OG-O 2.89Å; S468-F472 WeakPolarHBondContact OG-CE2 3.16Å; S468-G575 CarbonylContact O-C 3.57Å; S468-G575 VanDerWaalsContact O-CA 3.25Å; S468-G575 WeakPolarHBondContact O-CA 3.29Å; S468-L576 PolarHBondContact O-N 3.05Å
469	Q	88.3	Confident	92.6	Very high	169 Å²	169	39.3 Å²	39.3	79%	0.79	22%	0.218	S	C	*	.	S	Bend	trans	-69.8	-29.7	176.4	-68.6	176.4	-53.2	0	0	112.7	D577	Q469-D577 WeakPolarHBondContact O-CB 3.42Å; Q469-D577 PolarHBondContact O-N 2.89Å
470	R	92.4	Very high	92.5	Very high	94 Å²	94	43.1 Å²	43.1	36%	0.355	23%	0.225	S	C	.	.	S	Bend	trans	-120.7	154.3	-176.9	-63.7	-63.8	-66.7	-95.1	-4.1	111.8	S468 F472 L532 D577	S468-R470 VanDerWaalsContact C-N 3.31Å; S468-R470 PolarHBondContact O-N 2.83Å; S468-R470 PolarHBondContact OG-O 2.89Å; R470-F472 HydrophobicContact CB-CE2 4.35Å; R470-F472 HydrophobicContact CB-CZ 4.26Å; R470-F472 WeakPolarHBondContact O-CD2 3.28Å; R470-F472 WeakPolarHBondContact O-CE2 3.25Å; R470-L532 HydrophobicContact CB-CD1 4.11Å; R470-L532 HydrophobicContact CG-CD1 4.21Å; R470-D577 WeakPolarHBondContact CA-OD2 3.41Å; R470-D577 IonicContact NE-OD2 2.69Å
471	S	95	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.			trans	-82.8	141.4	169.8	-68.2	0	0	0	0	111.1	A531 L532 L573 I574 G575 D577	S471-A531 VanDerWaalsContact O-CA 3.29Å; S471-A531 WeakPolarHBondContact O-CA 3.43Å; S471-A531 WeakPolarHBondContact O-CB 3.34Å; S471-L532 PolarHBondContact O-N 2.84Å; S471-L573 CarbonylContact C-O 3.57Å; S471-L573 WeakPolarHBondContact CA-O 3.2Å; S471-L573 WeakPolarHBondContact CB-O 3.44Å; S471-I574 WeakPolarHBondContact OG-CA 3.19Å; S471-G575 PolarHBondContact OG-N 3.22Å; S471-D577 VanDerWaalsContact N-CG 3.32Å; S471-D577 PolarHBondContact N-OD1 3.21Å; S471-D577 PolarHBondContact N-OD2 2.83Å; S471-D577 PolarHBondContact OG-OD1 3.42Å
472	F	94	Very high	92.1	Very high	24 Å²	24	55.2 Å²	55.2	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.4	-178.4	-62.6	-82.1	0	0	0	112.5	S468 R470 I492 L532 L534 I537 V572 L573	S468-F472 WeakPolarHBondContact OG-CE2 3.16Å; R470-F472 HydrophobicContact CB-CE2 4.35Å; R470-F472 HydrophobicContact CB-CZ 4.26Å; R470-F472 WeakPolarHBondContact O-CD2 3.28Å; R470-F472 WeakPolarHBondContact O-CE2 3.25Å; F472-I492 HydrophobicContact CE1-CD1 4.26Å; F472-I492 HydrophobicContact CZ-CD1 4.49Å; F472-L532 CarbonylContact C-O 3.6Å; F472-L532 WeakPolarHBondContact CA-O 3.46Å; F472-L532 HydrophobicContact CD1-CB 3.85Å; F472-L532 WeakPolarHBondContact CD1-O 3.37Å; F472-L532 HydrophobicContact CE1-CB 4.02Å; F472-L532 HydrophobicContact CE1-CD1 4.16Å; F472-L534 HydrophobicContact CB-CD1 4.31Å; F472-L534 HydrophobicContact CD1-CD1 3.31Å; F472-L534 HydrophobicContact CD1-CG 3.69Å; F472-L534 HydrophobicContact CE1-CD1 3.65Å; F472-L534 HydrophobicContact CE1-CG 4.17Å; F472-L534 HydrophobicContact CG-CD1 3.84Å; F472-L534 HydrophobicContact CG-CG 4.47Å; F472-L534 HydrophobicContact CZ-CD1 4.41Å; F472-I537 HydrophobicContact CB-CD1 4.24Å; F472-I537 HydrophobicContact CB-CG1 4.16Å; F472-V572 CarbonylContact O-C 3.58Å; F472-V572 WeakPolarHBondContact O-CA 3.34Å; F472-L573 HydrophobicContact CB-CB 4.2Å; F472-L573 HydrophobicContact CD2-CD2 4.02Å; F472-L573 PolarHBondContact N-O 3.29Å; F472-L573 PolarHBondContact O-N 2.9Å
473	F	94.1	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.7	-179.1	-164.2	-99.3	0	0	0	110.6	M450 E475 L477 A478 L483 V508 F510 A531 L532 W533 L534 V572	M450-F473 HydrophobicContact CE-CZ 4.08Å; M450-F473 HydrophobicContact SD-CE2 3.42Å; M450-F473 WeakPolarHBondContact SD-CE2 3.49Å; M450-F473 HydrophobicContact SD-CZ 3.44Å; M450-F473 WeakPolarHBondContact SD-CZ 3.46Å; F473-E475 PolarHBondContact O-N 3.45Å; F473-L477 HydrophobicContact CE1-CB 3.8Å; F473-L477 HydrophobicContact CE1-CD2 4.06Å; F473-L477 HydrophobicContact CE1-CG 3.84Å; F473-L477 HydrophobicContact CE2-CD2 3.95Å; F473-L477 HydrophobicContact CZ-CB 4.02Å; F473-L477 HydrophobicContact CZ-CD2 3.38Å; F473-L477 HydrophobicContact CZ-CG 3.58Å; F473-A478 HydrophobicContact CD1-CB 3.91Å; F473-A478 HydrophobicContact CE1-CB 3.94Å; F473-L483 HydrophobicContact CE1-CD1 3.93Å; F473-L483 HydrophobicContact CZ-CD1 4.14Å; F473-V508 HydrophobicContact CB-CG2 4.04Å; F473-V508 HydrophobicContact CD1-CG2 4.18Å; F473-V508 HydrophobicContact CG-CG2 4.17Å; F473-F510 HydrophobicContact CB-CE1 4.26Å; F473-F510 HydrophobicContact CD2-CD1 4.01Å; F473-F510 AromaticContact CD2-CE1 3.28Å; F473-F510 HydrophobicContact CD2-CE1 3.28Å; F473-F510 HydrophobicContact CD2-CE2 4.35Å; F473-F510 AromaticContact CD2-CZ 3.5Å; F473-F510 HydrophobicContact CD2-CZ 3.5Å; F473-F510 HydrophobicContact CE2-CD1 4.04Å; F473-F510 AromaticContact CE2-CE1 3.73Å; F473-F510 HydrophobicContact CE2-CE1 3.73Å; F473-F510 HydrophobicContact CE2-CE2 4.36Å; F473-F510 HydrophobicContact CE2-CG 4.49Å; F473-F510 AromaticContact CE2-CZ 3.92Å; F473-F510 HydrophobicContact CE2-CZ 3.92Å; F473-F510 AromaticContact CG-CE1 3.92Å; F473-F510 HydrophobicContact CG-CE1 3.92Å; F473-F510 HydrophobicContact CG-CZ 4.46Å; F473-A531 HydrophobicContact CB-CB 3.97Å; F473-L532 PolarHBondContact N-O 2.85Å; F473-W533 CarbonylContact O-C 3.54Å; F473-W533 WeakPolarHBondContact O-CA 3.15Å; F473-L534 PolarHBondContact O-N 3.42Å; F473-V572 HydrophobicContact CD2-CB 4.43Å; F473-V572 HydrophobicContact CD2-CG1 4.42Å; F473-V572 HydrophobicContact CD2-CG2 3.59Å; F473-V572 HydrophobicContact CE2-CG2 3.57Å
474	T	93.2	Very high	91.4	Very high	13 Å²	13	61.6 Å²	61.6	8%	0.08	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132	178.6	54.6	0	0	0	0	112	E476 L477 A478 L534 I537 I570 D571	T474-E476 PolarHBondContact O-N 2.99Å; T474-L477 PolarHBondContact O-N 3.43Å; T474-L477 VanDerWaalsContact O-N 3.15Å; T474-L477 VanDerWaalsContact OG1-CB 3.27Å; T474-L477 WeakPolarHBondContact OG1-CB 3.43Å; T474-A478 PolarHBondContact O-N 2.7Å; T474-L534 CarbonylContact C-O 3.4Å; T474-L534 WeakPolarHBondContact CA-O 3.36Å; T474-I537 HydrophobicContact CG2-CD1 3.91Å; T474-I537 HydrophobicContact CG2-CG1 4.06Å; T474-I570 WeakPolarHBondContact CG2-O 3.44Å; T474-D571 PolarHBondContact N-O 2.83Å; T474-D571 PolarHBondContact OG1-O 2.94Å
475	E	91.3	Very high	91	Very high	65 Å²	65	62.5 Å²	62.5	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-37.8	175.1	-173.1	179.7	175.8	0	0	111.5	F473 L477 A478 N479 L534 S535	F473-E475 PolarHBondContact O-N 3.45Å; E475-L477 VanDerWaalsContact C-N 3.31Å; E475-L477 PolarHBondContact O-N 2.6Å; E475-A478 PolarHBondContact O-N 2.87Å; E475-N479 WeakPolarHBondContact O-CB 3.46Å; E475-N479 PolarHBondContact O-N 3.18Å; E475-N479 PolarHBondContact O-ND2 3.4Å; E475-L534 PolarHBondContact N-O 2.85Å; E475-S535 WeakPolarHBondContact OE2-CA 3.3Å; E475-S535 WeakPolarHBondContact OE2-CB 3.41Å
476	E	90.8	Very high	90.9	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-54.4	-46.3	174.9	-169.9	-170.3	148	0	0	111.8	T474 R480 K569	T474-E476 PolarHBondContact O-N 2.99Å; E476-R480 WeakPolarHBondContact O-CB 3.42Å; E476-R480 PolarHBondContact O-N 3.34Å; E476-R480 IonicContact OE1-NH2 2.77Å; E476-R480 PolarHBondContact OE1-NH2 3.27Å; E476-K569 IonicContact OE2-NZ 3.07Å
477	L	92.1	Very high	90.7	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-76.1	-35.4	179.9	-174	58.9	0	0	0	111.8	V460 F473 T474 E475 R480 K481 D571	V460-L477 HydrophobicContact CG1-CD2 3.62Å; F473-L477 HydrophobicContact CE1-CB 3.8Å; F473-L477 HydrophobicContact CE1-CD2 4.06Å; F473-L477 HydrophobicContact CE1-CG 3.84Å; F473-L477 HydrophobicContact CE2-CD2 3.95Å; F473-L477 HydrophobicContact CZ-CB 4.02Å; F473-L477 HydrophobicContact CZ-CD2 3.38Å; F473-L477 HydrophobicContact CZ-CG 3.58Å; T474-L477 PolarHBondContact O-N 3.43Å; T474-L477 VanDerWaalsContact O-N 3.15Å; T474-L477 VanDerWaalsContact OG1-CB 3.27Å; T474-L477 WeakPolarHBondContact OG1-CB 3.43Å; E475-L477 VanDerWaalsContact C-N 3.31Å; E475-L477 PolarHBondContact O-N 2.6Å; L477-R480 PolarHBondContact O-N 2.88Å; L477-K481 HydrophobicContact CD1-CG 4.05Å; L477-K481 HydrophobicContact CG-CG 4.46Å; L477-K481 WeakPolarHBondContact O-CB 3.47Å; L477-K481 WeakPolarHBondContact O-CG 3.45Å; L477-K481 PolarHBondContact O-N 2.88Å; L477-D571 HydrophobicContact CD2-CB 3.9Å
478	A	92.1	Very high	90.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-46.1	178.1	0	0	0	0	0	111.3	F473 T474 E475 K481 R482 L483 W533	F473-A478 HydrophobicContact CD1-CB 3.91Å; F473-A478 HydrophobicContact CE1-CB 3.94Å; T474-A478 PolarHBondContact O-N 2.7Å; E475-A478 PolarHBondContact O-N 2.87Å; A478-K481 CarbonylContact O-C 3.59Å; A478-K481 PolarHBondContact O-N 3.46Å; A478-R482 PolarHBondContact O-N 2.78Å; A478-L483 HydrophobicContact CB-CB 4.36Å; A478-L483 PolarHBondContact O-N 2.85Å; A478-W533 HydrophobicContact CB-CD2 4.34Å; A478-W533 HydrophobicContact CB-CE3 3.32Å; A478-W533 HydrophobicContact CB-CZ3 3.68Å
479	N	91.6	Very high	90.3	Very high	95 Å²	95	71.4 Å²	71.4	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.4	-72.8	-24.6	0	0	0	111.2	E475 K481 R482	E475-N479 WeakPolarHBondContact O-CB 3.46Å; E475-N479 PolarHBondContact O-N 3.18Å; E475-N479 PolarHBondContact O-ND2 3.4Å; N479-K481 PolarHBondContact O-N 3.04Å; N479-R482 PolarHBondContact O-N 3.49Å; N479-R482 VanDerWaalsContact O-N 3.09Å
480	R	92	Very high	89.8	Confident	149 Å²	149	64.3 Å²	64.3	56%	0.562	30%	0.299	S	S	*	.	H	α-helix	trans	-61.1	-33.8	178.2	-163.8	-172.3	-51.7	156	4	112.7	E476 L477	E476-R480 WeakPolarHBondContact O-CB 3.42Å; E476-R480 PolarHBondContact O-N 3.34Å; E476-R480 IonicContact OE1-NH2 2.77Å; E476-R480 PolarHBondContact OE1-NH2 3.27Å; L477-R480 PolarHBondContact O-N 2.88Å
481	K	92.3	Very high	89.1	Confident	42 Å²	42	65.3 Å²	65.3	18%	0.183	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.1	178.4	-67.8	-62.9	-171.8	178.5	0	113.8	M450 T452 L477 A478 N479 L483	M450-K481 HydrophobicContact CE-CG 3.98Å; T452-K481 HydrophobicContact CG2-CB 4.03Å; T452-K481 HydrophobicContact CG2-CD 4.26Å; T452-K481 HydrophobicContact CG2-CG 4.34Å; L477-K481 HydrophobicContact CD1-CG 4.05Å; L477-K481 HydrophobicContact CG-CG 4.46Å; L477-K481 WeakPolarHBondContact O-CB 3.47Å; L477-K481 WeakPolarHBondContact O-CG 3.45Å; L477-K481 PolarHBondContact O-N 2.88Å; A478-K481 CarbonylContact O-C 3.59Å; A478-K481 PolarHBondContact O-N 3.46Å; N479-K481 PolarHBondContact O-N 3.04Å; K481-L483 HydrophobicContact CB-CD1 4.35Å; K481-L483 HydrophobicContact CB-CG 4Å; K481-L483 PolarHBondContact O-N 3.38Å; K481-L483 VanDerWaalsContact O-N 3.14Å
482	R	90.8	Very high	88.2	Confident	220 Å²	220	66 Å²	66	83%	0.83	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.7	179.7	-57.2	177.2	-179.1	-111.3	1.9	112.8	A478 N479	A478-R482 PolarHBondContact O-N 2.78Å; N479-R482 PolarHBondContact O-N 3.49Å; N479-R482 VanDerWaalsContact O-N 3.09Å
483	L	90.5	Very high	87.1	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.084	33%	0.33	C	S	.	.			trans	-74.2	136	176.4	-62.4	177.8	0	0	0	108.9	T452 F473 A478 K481 V508 W533	T452-L483 HydrophobicContact CG2-CD2 3.82Å; F473-L483 HydrophobicContact CE1-CD1 3.93Å; F473-L483 HydrophobicContact CZ-CD1 4.14Å; A478-L483 HydrophobicContact CB-CB 4.36Å; A478-L483 PolarHBondContact O-N 2.85Å; K481-L483 HydrophobicContact CB-CD1 4.35Å; K481-L483 HydrophobicContact CB-CG 4Å; K481-L483 PolarHBondContact O-N 3.38Å; K481-L483 VanDerWaalsContact O-N 3.14Å; L483-V508 HydrophobicContact CB-CB 4.32Å; L483-V508 HydrophobicContact CB-CG1 3.97Å; L483-W533 WeakPolarHBondContact O-CZ3 3.46Å
484	N	85.6	Confident	85.5	Confident	122 Å²	122	68.9 Å²	68.9	65%	0.652	33%	0.334	S	S	*	.			trans	-131.5	160.4	175.8	-79.6	-46.2	0	0	0	109.4
485	G	87.3	Confident	84	Confident	23 Å²	23	74.5 Å²	74.5	24%	0.237	36%	0.363	C	S	.	.			trans	-177.3	-177.5	173.6	0	0	0	0	0	111.9	R506 R507	G485-R506 WeakPolarHBondContact O-CD 3.4Å; G485-R506 PolarHBondContact O-NH1 3.48Å; G485-R506 VanDerWaalsContact O-NH1 3.08Å; G485-R507 VanDerWaalsContact CA-O 3.31Å; G485-R507 WeakPolarHBondContact CA-O 3.46Å
486	P	90	Very high	82.5	Confident	69 Å²	69	74.9 Å²	74.9	45%	0.448	38%	0.384	S	S	.	.			trans	-63.7	147.8	-176.1	27.3	-33.7	0	0	0	110.9	R506 R507	P486-R506 VanDerWaalsContact O-CA 3.29Å; P486-R506 WeakPolarHBondContact O-CA 3.47Å; P486-R507 HydrophobicContact CG-CB 4.39Å; P486-R507 PolarHBondContact O-N 2.97Å; P486-R507 VanDerWaalsContact O-N 3.09Å
487	L	87.1	Confident	80.9	Confident	97 Å²	97	72.6 Å²	72.6	51%	0.508	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.2	171.1	-71.5	165.2	0	0	0	109.2	R504 T505 R506	L487-R504 HydrophobicContact CD2-CG 4.22Å; L487-T505 CarbonylContact C-O 3.27Å; L487-T505 VanDerWaalsContact CA-O 3.32Å; L487-T505 WeakPolarHBondContact CA-O 3.25Å; L487-R506 HydrophobicContact CD2-CG 3.64Å; L487-R506 HydrophobicContact CG-CG 4.38Å
488	E	83.8	Confident	79	Confident	46 Å²	46	81.6 Å²	81.6	22%	0.215	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.6	177.5	-70.6	-178.3	-166.8	0	0	109.7	T505 R507 L532	E488-T505 PolarHBondContact N-O 3.5Å; E488-T505 PolarHBondContact O-N 2.99Å; E488-R507 IonicContact OE1-CZ 3.41Å; E488-R507 IonicContact OE1-NE 3.83Å; E488-R507 PolarHBondContact OE1-NE 3.35Å; E488-R507 IonicContact OE1-NH2 3.27Å; E488-R507 PolarHBondContact OE1-NH2 3.38Å; E488-R507 IonicContact OE2-NE 3.25Å; E488-L532 HydrophobicContact CB-CD2 4.44Å
489	Y	81.1	Confident	77.2	Confident	149 Å²	149	83.8 Å²	83.8	58%	0.584	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	171.2	-74.2	-81	0	0	0	109	R504	Y489-R504 HydrophobicContact CD1-CB 4.05Å; Y489-R504 HydrophobicContact CD1-CG 4.34Å; Y489-R504 HydrophobicContact CE1-CB 3.76Å; Y489-R504 HydrophobicContact CE1-CG 3.95Å
490	V	78.9	Confident	75.5	Confident	19 Å²	19	86.3 Å²	86.3	12%	0.115	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.2	-175.2	-179.3	0	0	0	0	109.3	I492 C502 K503 T505 L532	V490-I492 HydrophobicContact CG1-CG1 4.01Å; V490-C502 WeakPolarHBondContact O-CA 3.25Å; V490-K503 PolarHBondContact N-O 3.14Å; V490-K503 PolarHBondContact O-N 3.49Å; V490-T505 HydrophobicContact CB-CG2 4.05Å; V490-T505 HydrophobicContact CG2-CG2 3.38Å; V490-L532 HydrophobicContact CB-CD1 4.4Å; V490-L532 HydrophobicContact CG1-CD1 3.94Å; V490-L532 HydrophobicContact CG2-CD1 3.57Å; V490-L532 HydrophobicContact CG2-CD2 3.88Å; V490-L532 HydrophobicContact CG2-CG 4.26Å
491	E	78.2	Confident	74	Confident	115 Å²	115	81.1 Å²	81.1	54%	0.537	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.3	168.6	-172.6	-179.2	-173.6	0	0	109.4	K500 F501	E491-K500 VanDerWaalsContact OE1-CD 3.26Å; E491-K500 WeakPolarHBondContact OE1-CD 3.43Å; E491-K500 WeakPolarHBondContact OE1-CG 3.44Å; E491-K500 IonicContact OE1-NZ 2.68Å; E491-F501 WeakPolarHBondContact CA-O 3.33Å
492	I	76.2	Confident	72.4	Confident	14 Å²	14	82.1 Å²	82.1	7%	0.072	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.7	173.9	-62.9	171.6	0	0	0	107.4	F472 V490 F501 L534 A624	F472-I492 HydrophobicContact CE1-CD1 4.26Å; F472-I492 HydrophobicContact CZ-CD1 4.49Å; V490-I492 HydrophobicContact CG1-CG1 4.01Å; I492-F501 HydrophobicContact CB-CD1 4.37Å; I492-F501 HydrophobicContact CB-CE1 3.55Å; I492-F501 HydrophobicContact CB-CE2 4.04Å; I492-F501 HydrophobicContact CB-CZ 3.33Å; I492-F501 HydrophobicContact CD1-CE2 3.92Å; I492-F501 HydrophobicContact CD1-CZ 3.55Å; I492-F501 HydrophobicContact CG1-CE2 4.28Å; I492-F501 HydrophobicContact CG1-CZ 3.88Å; I492-F501 HydrophobicContact CG2-CE1 3.75Å; I492-F501 HydrophobicContact CG2-CZ 3.76Å; I492-F501 PolarHBondContact N-O 2.82Å; I492-L534 HydrophobicContact CD1-CD1 4.03Å; I492-L534 HydrophobicContact CD1-CD2 3.88Å; I492-A624 HydrophobicContact CG2-CB 3.64Å
493	S	69.2	Low	71.4	Confident	72 Å²	72	72.9 Å²	72.9	50%	0.503	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	143	174.4	-70.6	0	0	0	0	110.3
494	T	62.3	Low	70.9	Confident	14 Å²	14	78 Å²	78	9%	0.086	43%	0.429	C	S	.	.			trans	-111.5	155.7	-178.4	75.6	0	0	0	0	112.3	G496 G497 S499 H623 A624	T494-G496 PolarHBondContact O-N 3.17Å; T494-G496 VanDerWaalsContact O-N 3.16Å; T494-G497 PolarHBondContact O-N 2.99Å; T494-S499 WeakPolarHBondContact CG2-OG 3.49Å; T494-S499 PolarHBondContact N-O 3.36Å; T494-S499 PolarHBondContact OG1-OG 2.82Å; T494-H623 WeakPolarHBondContact CB-CE1 3.41Å; T494-H623 WeakPolarHBondContact CB-NE2 3.42Å; T494-H623 PolarHBondContact OG1-CE1 3.09Å; T494-A624 HydrophobicContact CG2-CB 4.4Å; T494-A624 WeakPolarHBondContact CG2-O 3.48Å
495	L	61.7	Low	70.9	Confident	131 Å²	131	72.3 Å²	72.3	69%	0.686	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	120.9	175.9	-85.1	154.5	0	0	0	110.2	S621	L495-S621 WeakPolarHBondContact CD1-OG 3.33Å
496	G	59	Low	71	Confident	73 Å²	73	75 Å²	75	75%	0.753	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	-2.5	-176.4	0	0	0	0	0	115	T494 Q498	T494-G496 PolarHBondContact O-N 3.17Å; T494-G496 VanDerWaalsContact O-N 3.16Å; G496-Q498 PolarHBondContact O-N 3.31Å
497	G	57.7	Low	71.2	Confident	55 Å²	55	75 Å²	75	57%	0.567	39%	0.393	S	S	*	.	S	Bend	trans	68.7	1.8	171.3	0	0	0	0	0	115.7	T494 S499	T494-G497 PolarHBondContact O-N 2.99Å; G497-S499 PolarHBondContact O-N 3.29Å
498	Q	51.8	Low	71.5	Confident	193 Å²	193	70.5 Å²	70.5	90%	0.902	37%	0.369	S	S	*	.	S	Bend	trans	-72.3	-12.2	-173.8	-65	-154.6	-29.2	0	0	114.1	G496	G496-Q498 PolarHBondContact O-N 3.31Å
499	S	53.6	Low	72	Confident	46 Å²	46	71.8 Å²	71.8	32%	0.322	38%	0.375	S	S	.	.			trans	-142.8	112.2	175.4	62.4	0	0	0	0	110.3	T494 G497	T494-S499 WeakPolarHBondContact CG2-OG 3.49Å; T494-S499 PolarHBondContact N-O 3.36Å; T494-S499 PolarHBondContact OG1-OG 2.82Å; G497-S499 PolarHBondContact O-N 3.29Å
500	K	56.8	Low	72.7	Confident	147 Å²	147	64.7 Å²	64.7	64%	0.639	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.2	160.7	-69.2	176.4	165.7	-159.8	0	106.4	E491	E491-K500 VanDerWaalsContact OE1-CD 3.26Å; E491-K500 WeakPolarHBondContact OE1-CD 3.43Å; E491-K500 WeakPolarHBondContact OE1-CG 3.44Å; E491-K500 IonicContact OE1-NZ 2.68Å
501	F	59.8	Low	73.6	Confident	40 Å²	40	64 Å²	64	18%	0.175	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.7	172.4	70.1	-87.2	0	0	0	110.3	E491 I492 K503 V626	E491-F501 WeakPolarHBondContact CA-O 3.33Å; I492-F501 HydrophobicContact CB-CD1 4.37Å; I492-F501 HydrophobicContact CB-CE1 3.55Å; I492-F501 HydrophobicContact CB-CE2 4.04Å; I492-F501 HydrophobicContact CB-CZ 3.33Å; I492-F501 HydrophobicContact CD1-CE2 3.92Å; I492-F501 HydrophobicContact CD1-CZ 3.55Å; I492-F501 HydrophobicContact CG1-CE2 4.28Å; I492-F501 HydrophobicContact CG1-CZ 3.88Å; I492-F501 HydrophobicContact CG2-CE1 3.75Å; I492-F501 HydrophobicContact CG2-CZ 3.76Å; I492-F501 PolarHBondContact N-O 2.82Å; F501-K503 HydrophobicContact CD2-CB 3.91Å; F501-K503 HydrophobicContact CE2-CB 3.71Å; F501-K503 HydrophobicContact CE2-CD 4.41Å; F501-V626 HydrophobicContact CD1-CB 4.26Å; F501-V626 HydrophobicContact CD2-CG1 4.38Å; F501-V626 HydrophobicContact CE1-CB 3.56Å; F501-V626 HydrophobicContact CE1-CG1 4.33Å; F501-V626 HydrophobicContact CE1-CG2 3.52Å; F501-V626 HydrophobicContact CE2-CB 3.99Å; F501-V626 HydrophobicContact CE2-CG1 3.91Å; F501-V626 HydrophobicContact CE2-CG2 3.79Å; F501-V626 HydrophobicContact CZ-CB 3.42Å; F501-V626 VanDerWaalsContact CZ-CB 3.42Å; F501-V626 HydrophobicContact CZ-CG1 3.89Å; F501-V626 HydrophobicContact CZ-CG2 3.01Å
502	C	58.7	Low	74.4	Confident	63 Å²	63	58.5 Å²	58.5	43%	0.426	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115	172.3	-170.8	0	0	0	0	109	V490 K636	V490-C502 WeakPolarHBondContact O-CA 3.25Å; C502-K636 PolarHBondContact O-NZ 2.8Å
503	K	71.1	Confident	75.3	Confident	26 Å²	26	58 Å²	58	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.2	175.8	-178.1	164.8	-175.2	164.3	0	110.1	V490 F501 T505 L534	V490-K503 PolarHBondContact N-O 3.14Å; V490-K503 PolarHBondContact O-N 3.49Å; F501-K503 HydrophobicContact CD2-CB 3.91Å; F501-K503 HydrophobicContact CE2-CB 3.71Å; F501-K503 HydrophobicContact CE2-CD 4.41Å; K503-T505 PolarHBondContact O-N 3.21Å; K503-L534 HydrophobicContact CD-CD2 4.29Å
504	R	79.2	Confident	76.5	Confident	123 Å²	123	55.4 Å²	55.4	46%	0.464	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.6	166.8	-164.1	172	69.8	-177.5	-0.5	108	L487 Y489	L487-R504 HydrophobicContact CD2-CG 4.22Å; Y489-R504 HydrophobicContact CD1-CB 4.05Å; Y489-R504 HydrophobicContact CD1-CG 4.34Å; Y489-R504 HydrophobicContact CE1-CB 3.76Å; Y489-R504 HydrophobicContact CE1-CG 3.95Å
505	T	86.2	Confident	77.8	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	176.6	-178.2	-178.6	0	0	0	0	109.9	L487 E488 V490 K503 L532 W533	L487-T505 CarbonylContact C-O 3.27Å; L487-T505 VanDerWaalsContact CA-O 3.32Å; L487-T505 WeakPolarHBondContact CA-O 3.25Å; E488-T505 PolarHBondContact N-O 3.5Å; E488-T505 PolarHBondContact O-N 2.99Å; V490-T505 HydrophobicContact CB-CG2 4.05Å; V490-T505 HydrophobicContact CG2-CG2 3.38Å; K503-T505 PolarHBondContact O-N 3.21Å; T505-L532 HydrophobicContact CG2-CB 4.27Å; T505-L532 HydrophobicContact CG2-CD2 3.97Å; T505-W533 PolarHBondContact OG1-O 2.75Å
506	R	89.5	Confident	78.4	Confident	79 Å²	79	56 Å²	56	30%	0.298	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.4	169.8	-60.5	-170.7	-171.5	-114.6	2.6	110.7	G485 P486 L487 W533	G485-R506 WeakPolarHBondContact O-CD 3.4Å; G485-R506 PolarHBondContact O-NH1 3.48Å; G485-R506 VanDerWaalsContact O-NH1 3.08Å; P486-R506 VanDerWaalsContact O-CA 3.29Å; P486-R506 WeakPolarHBondContact O-CA 3.47Å; L487-R506 HydrophobicContact CD2-CG 3.64Å; L487-R506 HydrophobicContact CG-CG 4.38Å; R506-W533 HydrophobicContact CB-CD2 3.77Å; R506-W533 VanDerWaalsContact CB-CE2 3.46Å; R506-W533 HydrophobicContact CB-CE3 4.23Å; R506-W533 HydrophobicContact CB-CG 4.32Å; R506-W533 HydrophobicContact CB-CH2 4.3Å; R506-W533 HydrophobicContact CB-CZ2 3.77Å; R506-W533 HydrophobicContact CB-CZ3 4.48Å; R506-W533 HydrophobicContact CG-CD2 4.35Å; R506-W533 HydrophobicContact CG-CH2 4.06Å; R506-W533 HydrophobicContact CG-CZ2 3.4Å; R506-W533 VanDerWaalsContact CG-CZ2 3.4Å; R506-W533 VanDerWaalsContact N-NE1 3.17Å; R506-W533 PolarHBondContact O-N 2.85Å
507	R	93	Very high	78.3	Confident	70 Å²	70	55.6 Å²	55.6	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.6	164.1	-179.1	164.5	52.3	110.1	0.6	109	G485 P486 E488 E530 A531 L532	G485-R507 VanDerWaalsContact CA-O 3.31Å; G485-R507 WeakPolarHBondContact CA-O 3.46Å; P486-R507 HydrophobicContact CG-CB 4.39Å; P486-R507 PolarHBondContact O-N 2.97Å; P486-R507 VanDerWaalsContact O-N 3.09Å; E488-R507 IonicContact OE1-CZ 3.41Å; E488-R507 IonicContact OE1-NE 3.83Å; E488-R507 PolarHBondContact OE1-NE 3.35Å; E488-R507 IonicContact OE1-NH2 3.27Å; E488-R507 PolarHBondContact OE1-NH2 3.38Å; E488-R507 IonicContact OE2-NE 3.25Å; R507-E530 HydrophobicContact CG-CB 4.2Å; R507-E530 IonicContact CZ-OE2 3.71Å; R507-E530 IonicContact NE-OE2 2.78Å; R507-E530 VanDerWaalsContact NH1-CD 3.28Å; R507-E530 IonicContact NH1-OE1 3.37Å; R507-E530 PolarHBondContact NH1-OE1 2.96Å; R507-E530 IonicContact NH1-OE2 2.72Å; R507-E530 PolarHBondContact NH1-OE2 3.46Å; R507-A531 WeakPolarHBondContact CA-O 3.33Å; R507-L532 HydrophobicContact CB-CD2 4.22Å
508	V	93.8	Very high	77.9	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.6	175.3	-65.7	0	0	0	0	110.3	F473 L483 F510 E530 A531 W533	F473-V508 HydrophobicContact CB-CG2 4.04Å; F473-V508 HydrophobicContact CD1-CG2 4.18Å; F473-V508 HydrophobicContact CG-CG2 4.17Å; L483-V508 HydrophobicContact CB-CB 4.32Å; L483-V508 HydrophobicContact CB-CG1 3.97Å; V508-F510 HydrophobicContact CG2-CD1 4.33Å; V508-F510 HydrophobicContact CG2-CE1 4.28Å; V508-E530 WeakPolarHBondContact O-CA 3.42Å; V508-A531 WeakPolarHBondContact CG2-O 3.25Å; V508-A531 PolarHBondContact N-O 3.42Å; V508-A531 PolarHBondContact O-N 3.08Å; V508-W533 HydrophobicContact CG1-CD2 4.39Å; V508-W533 HydrophobicContact CG1-CE3 3.58Å; V508-W533 HydrophobicContact CG1-CZ3 4.12Å
509	Q	95.1	Very high	77.2	Confident	72 Å²	72	55.4 Å²	55.4	34%	0.336	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.7	179.5	-166.8	178.2	62.3	0	0	110.4	M453 T528 V529 E530	M453-Q509 HydrophobicContact CE-CG 4.27Å; M453-Q509 HydrophobicContact SD-CG 4.48Å; Q509-T528 HydrophobicContact CG-CG2 3.48Å; Q509-T528 VanDerWaalsContact CG-CG2 3.48Å; Q509-V529 WeakPolarHBondContact CA-O 3.41Å; Q509-E530 HydrophobicContact CB-CG 4.4Å; Q509-E530 HydrophobicContact CG-CG 4.02Å; Q509-E530 PolarHBondContact NE2-OE1 3.39Å
510	F	95.7	Very high	76.5	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	167.3	176.7	55	-91.2	0	0	0	110.2	M450 F473 V508 L512 T528 V529 A531 V572	M450-F510 HydrophobicContact CG-CB 3.97Å; M450-F510 HydrophobicContact CG-CD2 3.74Å; M450-F510 HydrophobicContact CG-CG 4.05Å; M450-F510 HydrophobicContact SD-CB 4.13Å; M450-F510 HydrophobicContact SD-CD2 4.03Å; M450-F510 HydrophobicContact SD-CG 3.98Å; F473-F510 HydrophobicContact CB-CE1 4.26Å; F473-F510 HydrophobicContact CD2-CD1 4.01Å; F473-F510 AromaticContact CD2-CE1 3.28Å; F473-F510 HydrophobicContact CD2-CE1 3.28Å; F473-F510 HydrophobicContact CD2-CE2 4.35Å; F473-F510 AromaticContact CD2-CZ 3.5Å; F473-F510 HydrophobicContact CD2-CZ 3.5Å; F473-F510 HydrophobicContact CE2-CD1 4.04Å; F473-F510 AromaticContact CE2-CE1 3.73Å; F473-F510 HydrophobicContact CE2-CE1 3.73Å; F473-F510 HydrophobicContact CE2-CE2 4.36Å; F473-F510 HydrophobicContact CE2-CG 4.49Å; F473-F510 AromaticContact CE2-CZ 3.92Å; F473-F510 HydrophobicContact CE2-CZ 3.92Å; F473-F510 AromaticContact CG-CE1 3.92Å; F473-F510 HydrophobicContact CG-CE1 3.92Å; F473-F510 HydrophobicContact CG-CZ 4.46Å; V508-F510 HydrophobicContact CG2-CD1 4.33Å; V508-F510 HydrophobicContact CG2-CE1 4.28Å; F510-L512 HydrophobicContact CD2-CD2 3.95Å; F510-L512 HydrophobicContact CD2-CG 4.03Å; F510-L512 HydrophobicContact CE2-CD1 4.06Å; F510-L512 HydrophobicContact CE2-CD2 3.85Å; F510-L512 HydrophobicContact CE2-CG 3.82Å; F510-T528 CarbonylContact O-C 3.54Å; F510-T528 WeakPolarHBondContact O-CA 3.34Å; F510-V529 HydrophobicContact CD2-CB 4.45Å; F510-V529 HydrophobicContact CE2-CB 3.92Å; F510-V529 HydrophobicContact CE2-CG1 4.3Å; F510-V529 HydrophobicContact CZ-CB 4.08Å; F510-V529 HydrophobicContact CZ-CG1 4.02Å; F510-V529 PolarHBondContact N-O 3.02Å; F510-V529 VanDerWaalsContact N-O 3.1Å; F510-V529 PolarHBondContact O-N 3.1Å; F510-A531 HydrophobicContact CE1-CB 3.84Å; F510-A531 HydrophobicContact CZ-CB 4.09Å; F510-V572 HydrophobicContact CE2-CG1 4.1Å; F510-V572 HydrophobicContact CE2-CG2 4.41Å; F510-V572 HydrophobicContact CZ-CG1 3.76Å; F510-V572 HydrophobicContact CZ-CG2 4.35Å
511	A	96.3	Very high	75.9	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.6	177.9	0	0	0	0	0	111.9	M450 R451 W526 R527	M450-A511 CarbonylContact C-O 3.56Å; M450-A511 WeakPolarHBondContact CA-O 3.49Å; R451-A511 PolarHBondContact N-O 3.33Å; R451-A511 PolarHBondContact O-N 3.3Å; A511-W526 HydrophobicContact CB-CB 4.15Å; A511-W526 HydrophobicContact CB-CE3 3.96Å; A511-R527 CarbonylContact C-O 3.57Å; A511-R527 WeakPolarHBondContact CA-O 3.42Å
512	L	96.6	Very high	75.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.4	178.6	-63.9	179	0	0	0	111.8	A448 V449 M450 V460 F510 W526 R527 V529 I574 F582 F602	A448-L512 HydrophobicContact CB-CD2 4.21Å; V449-L512 CarbonylContact O-C 3.6Å; V449-L512 WeakPolarHBondContact O-CA 3.45Å; M450-L512 HydrophobicContact CB-CD2 3.88Å; M450-L512 HydrophobicContact CG-CD2 4.09Å; V460-L512 HydrophobicContact CG2-CD2 3.98Å; F510-L512 HydrophobicContact CD2-CD2 3.95Å; F510-L512 HydrophobicContact CD2-CG 4.03Å; F510-L512 HydrophobicContact CE2-CD1 4.06Å; F510-L512 HydrophobicContact CE2-CD2 3.85Å; F510-L512 HydrophobicContact CE2-CG 3.82Å; L512-W526 WeakPolarHBondContact O-CA 3.43Å; L512-R527 PolarHBondContact N-O 2.93Å; L512-R527 PolarHBondContact O-N 3.01Å; L512-V529 HydrophobicContact CD1-CG2 4.12Å; L512-V529 HydrophobicContact CG-CG2 4.46Å; L512-I574 HydrophobicContact CD1-CD1 3.95Å; L512-F582 HydrophobicContact CB-CE1 4.04Å; L512-F582 HydrophobicContact CB-CZ 4.2Å; L512-F582 HydrophobicContact CD1-CE1 4.29Å; L512-F582 HydrophobicContact CD1-CZ 3.99Å; L512-F602 HydrophobicContact CB-CE1 3.93Å; L512-F602 HydrophobicContact CB-CZ 3.99Å; L512-F602 HydrophobicContact CD1-CZ 3.95Å
513	S	95.1	Very high	75.5	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.1	175.6	-168.3	0	0	0	0	112	A448 V449 K524 Q525	A448-S513 WeakPolarHBondContact CA-O 3.35Å; V449-S513 PolarHBondContact N-O 3.02Å; V449-S513 PolarHBondContact O-N 3.19Å; S513-K524 VanDerWaalsContact CB-CE 3.4Å; S513-K524 WeakPolarHBondContact OG-CE 3.28Å; S513-K524 WeakPolarHBondContact OG-CG 3.38Å; S513-Q525 VanDerWaalsContact CB-O 3.27Å; S513-Q525 WeakPolarHBondContact CB-O 3.46Å; S513-Q525 PolarHBondContact OG-O 3.45Å
514	A	94	Very high	75.6	Confident	18 Å²	18	71.5 Å²	71.5	15%	0.149	37%	0.374	C	S	.	.			trans	-65.8	155	173.4	0	0	0	0	0	111.7	K524	A514-K524 WeakPolarHBondContact O-CE 3.46Å; A514-K524 PolarHBondContact O-NZ 3.24Å
515	L	89.8	Confident	76.1	Confident	52 Å²	52	72.5 Å²	72.5	27%	0.272	38%	0.384	S	S	.	.	S	Bend	trans	-63.8	-58.7	176.8	-82.4	79.6	0	0	0	110.4	R447 V449 V459 S517 K524	R447-L515 HydrophobicContact CB-CD1 3.49Å; R447-L515 VanDerWaalsContact CB-CD1 3.49Å; R447-L515 HydrophobicContact CB-CD2 4.32Å; R447-L515 WeakPolarHBondContact O-CD1 3.38Å; V449-L515 HydrophobicContact CG2-CG 4.28Å; V459-L515 HydrophobicContact CG1-CD2 4.41Å; L515-S517 PolarHBondContact O-N 3.17Å; L515-K524 PolarHBondContact O-NZ 3.27Å
516	D	73	Confident	76.4	Confident	105 Å²	105	74.9 Å²	74.9	56%	0.561	39%	0.392	S	S	*	.			trans	-95.3	72.1	-174.1	-58.3	-25.6	0	0	0	110.1	G518 K558	D516-G518 PolarHBondContact O-N 3.33Å; D516-K558 PolarHBondContact O-NZ 2.96Å
517	S	57.6	Low	76.6	Confident	64 Å²	64	75.7 Å²	75.7	45%	0.448	40%	0.396	S	S	.	.			trans	-77	66.9	158.4	56.6	0	0	0	0	107.8	L515 K524	L515-S517 PolarHBondContact O-N 3.17Å; S517-K524 WeakPolarHBondContact OG-CD 3.29Å; S517-K524 WeakPolarHBondContact OG-CE 3.4Å; S517-K524 PolarHBondContact OG-NZ 3.02Å; S517-K524 VanDerWaalsContact OG-NZ 3.16Å
518	G	48.9	Very low	76.8	Confident	55 Å²	55	75.8 Å²	75.8	57%	0.567	40%	0.404	S	S	*	.			trans	-84.3	123.6	176.5	0	0	0	0	0	109.9	D516	D516-G518 PolarHBondContact O-N 3.33Å
519	E	37	Very low	76.9	Confident	189 Å²	189	75.7 Å²	75.7	88%	0.883	40%	0.403	S	S	*	.	S	Bend	trans	62.8	72.5	147.1	-65	167	173.1	0	0	117.1
520	Q	40.5	Very low	76.9	Confident	186 Å²	186	74.7 Å²	74.7	87%	0.869	40%	0.398	S	S	*	.	S	Bend		-149.1	157.9	109.2	-75.1	-138.6	-4.8	0	0	107.7	G522	Q520-G522 PolarHBondContact O-N 2.95Å
521	R	42.3	Very low	76.9	Confident	269 Å²	269	74.7 Å²	74.7	100%	1.015	40%	0.398	S	S	*	.	S	Bend	trans	-53.8	13.3	-176.7	-105	171.1	176.8	174.5	-1.7	116.7
522	G	49.4	Very low	76.8	Confident	59 Å²	59	74.5 Å²	74.5	61%	0.608	40%	0.397	S	S	*	.	S	Bend	trans	-90.8	140.1	174.9	0	0	0	0	0	112.7	Q520 K524	Q520-G522 PolarHBondContact O-N 2.95Å; G522-K524 PolarHBondContact O-N 2.85Å
523	A	60.6	Low	76.4	Confident	97 Å²	97	75.8 Å²	75.8	80%	0.802	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-48.9	128	-179.3	0	0	0	0	0	112.5	Q525	A523-Q525 PolarHBondContact O-N 3.33Å; A523-Q525 VanDerWaalsContact O-N 3.12Å
524	K	73.9	Confident	76.1	Confident	50 Å²	50	76.4 Å²	76.4	22%	0.217	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-46.4	120.9	170.5	-179.3	167.8	-169.7	141	0	109	S513 A514 L515 S517 G522 W526	S513-K524 VanDerWaalsContact CB-CE 3.4Å; S513-K524 WeakPolarHBondContact OG-CE 3.28Å; S513-K524 WeakPolarHBondContact OG-CG 3.38Å; A514-K524 WeakPolarHBondContact O-CE 3.46Å; A514-K524 PolarHBondContact O-NZ 3.24Å; L515-K524 PolarHBondContact O-NZ 3.27Å; S517-K524 WeakPolarHBondContact OG-CD 3.29Å; S517-K524 WeakPolarHBondContact OG-CE 3.4Å; S517-K524 PolarHBondContact OG-NZ 3.02Å; S517-K524 VanDerWaalsContact OG-NZ 3.16Å; G522-K524 PolarHBondContact O-N 2.85Å; K524-W526 HydrophobicContact CD-CH2 4.38Å; K524-W526 HydrophobicContact CD-CZ2 3.74Å; K524-W526 HydrophobicContact CG-CZ2 4.2Å; K524-W526 PolarHBondContact O-NE1 3.03Å; K524-W526 VanDerWaalsContact O-NE1 3.15Å
525	Q	89.6	Confident	75.6	Confident	143 Å²	143	79.1 Å²	79.1	67%	0.668	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-71.1	137.7	178.8	-71	-173.5	-18.4	0	0	110.1	S513 A523 F601	S513-Q525 VanDerWaalsContact CB-O 3.27Å; S513-Q525 WeakPolarHBondContact CB-O 3.46Å; S513-Q525 PolarHBondContact OG-O 3.45Å; A523-Q525 PolarHBondContact O-N 3.33Å; A523-Q525 VanDerWaalsContact O-N 3.12Å; Q525-F601 HydrophobicContact CB-CE2 3.96Å; Q525-F601 HydrophobicContact CB-CZ 3.92Å
526	W	92.7	Very high	75.3	Confident	54 Å²	54	83 Å²	83	21%	0.205	44%	0.437	C	S	.	.			trans	-126.7	142.4	178.8	-64.2	90.6	0	0	0	109.2	V449 R451 A511 L512 K524	V449-W526 HydrophobicContact CG1-CH2 3.93Å; V449-W526 HydrophobicContact CG1-CZ3 4.29Å; R451-W526 HydrophobicContact CB-CE3 3.89Å; R451-W526 HydrophobicContact CB-CH2 3.6Å; R451-W526 HydrophobicContact CB-CZ2 4.37Å; R451-W526 HydrophobicContact CB-CZ3 3.32Å; R451-W526 HydrophobicContact CG-CH2 4.44Å; R451-W526 HydrophobicContact CG-CZ3 4.48Å; A511-W526 HydrophobicContact CB-CB 4.15Å; A511-W526 HydrophobicContact CB-CE3 3.96Å; L512-W526 WeakPolarHBondContact O-CA 3.43Å; K524-W526 HydrophobicContact CD-CH2 4.38Å; K524-W526 HydrophobicContact CD-CZ2 3.74Å; K524-W526 HydrophobicContact CG-CZ2 4.2Å; K524-W526 PolarHBondContact O-NE1 3.03Å; K524-W526 VanDerWaalsContact O-NE1 3.15Å
527	R	94.9	Very high	76	Confident	97 Å²	97	79 Å²	79	37%	0.366	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	170.9	-65.9	-174.7	-175.5	-122.2	8.6	109.3	A511 L512 H581 F582 F601	A511-R527 CarbonylContact C-O 3.57Å; A511-R527 WeakPolarHBondContact CA-O 3.42Å; L512-R527 PolarHBondContact N-O 2.93Å; L512-R527 PolarHBondContact O-N 3.01Å; R527-H581 VanDerWaalsContact CD-O 3.26Å; R527-H581 WeakPolarHBondContact CD-O 3.35Å; R527-H581 PolarHBondContact NE-O 3.35Å; R527-H581 VanDerWaalsContact NE-O 3.11Å; R527-H581 PolarHBondContact NH1-O 3.01Å; R527-F582 HydrophobicContact CB-CE1 3.77Å; R527-F582 HydrophobicContact CB-CZ 3.74Å; R527-F582 HydrophobicContact CG-CE1 4.32Å; R527-F601 HydrophobicContact CG-CD1 4.48Å; R527-F601 HydrophobicContact CG-CE1 4.04Å; R527-F601 HydrophobicContact CG-CE2 4.3Å; R527-F601 HydrophobicContact CG-CZ 3.95Å
528	T	95.8	Very high	77.1	Confident	71 Å²	71	77 Å²	77	44%	0.436	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.1	177.5	-55	0	0	0	0	109.9	Q509 F510 Y578	Q509-T528 HydrophobicContact CG-CG2 3.48Å; Q509-T528 VanDerWaalsContact CG-CG2 3.48Å; F510-T528 CarbonylContact O-C 3.54Å; F510-T528 WeakPolarHBondContact O-CA 3.34Å; T528-Y578 WeakPolarHBondContact O-CE1 3.47Å
529	V	96.5	Very high	78.6	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.4	177.3	179.7	0	0	0	0	108.1	Q509 F510 L512 A531 Y578 F582	Q509-V529 WeakPolarHBondContact CA-O 3.41Å; F510-V529 HydrophobicContact CD2-CB 4.45Å; F510-V529 HydrophobicContact CE2-CB 3.92Å; F510-V529 HydrophobicContact CE2-CG1 4.3Å; F510-V529 HydrophobicContact CZ-CB 4.08Å; F510-V529 HydrophobicContact CZ-CG1 4.02Å; F510-V529 PolarHBondContact N-O 3.02Å; F510-V529 VanDerWaalsContact N-O 3.1Å; F510-V529 PolarHBondContact O-N 3.1Å; L512-V529 HydrophobicContact CD1-CG2 4.12Å; L512-V529 HydrophobicContact CG-CG2 4.46Å; V529-A531 HydrophobicContact CG1-CB 4.4Å; V529-Y578 HydrophobicContact CG1-CD1 4.48Å; V529-Y578 HydrophobicContact CG1-CD2 3.93Å; V529-Y578 HydrophobicContact CG1-CE2 4.14Å; V529-Y578 HydrophobicContact CG1-CG 4.14Å; V529-Y578 HydrophobicContact CG2-CD1 4.22Å; V529-Y578 HydrophobicContact CG2-CG 4.4Å; V529-F582 HydrophobicContact CG2-CE2 3.63Å; V529-F582 HydrophobicContact CG2-CZ 3.53Å
530	E	95.6	Very high	80.9	Confident	51 Å²	51	70.8 Å²	70.8	24%	0.238	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.2	166.2	-59.6	-172.4	161.9	0	0	109	R507 V508 Q509 Y578	R507-E530 HydrophobicContact CG-CB 4.2Å; R507-E530 IonicContact CZ-OE2 3.71Å; R507-E530 IonicContact NE-OE2 2.78Å; R507-E530 VanDerWaalsContact NH1-CD 3.28Å; R507-E530 IonicContact NH1-OE1 3.37Å; R507-E530 PolarHBondContact NH1-OE1 2.96Å; R507-E530 IonicContact NH1-OE2 2.72Å; R507-E530 PolarHBondContact NH1-OE2 3.46Å; V508-E530 WeakPolarHBondContact O-CA 3.42Å; Q509-E530 HydrophobicContact CB-CG 4.4Å; Q509-E530 HydrophobicContact CG-CG 4.02Å; Q509-E530 PolarHBondContact NE2-OE1 3.39Å; E530-Y578 HydrophobicContact CB-CE2 4.5Å; E530-Y578 WeakPolarHBondContact CB-OH 3.35Å; E530-Y578 PolarHBondContact N-OH 3.26Å; E530-Y578 WeakPolarHBondContact O-CE2 3.37Å
531	A	95.2	Very high	83	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.9	-176.1	0	0	0	0	0	111	S471 F473 R507 V508 F510 V529	S471-A531 VanDerWaalsContact O-CA 3.29Å; S471-A531 WeakPolarHBondContact O-CA 3.43Å; S471-A531 WeakPolarHBondContact O-CB 3.34Å; F473-A531 HydrophobicContact CB-CB 3.97Å; R507-A531 WeakPolarHBondContact CA-O 3.33Å; V508-A531 WeakPolarHBondContact CG2-O 3.25Å; V508-A531 PolarHBondContact N-O 3.42Å; V508-A531 PolarHBondContact O-N 3.08Å; F510-A531 HydrophobicContact CE1-CB 3.84Å; F510-A531 HydrophobicContact CZ-CB 4.09Å; V529-A531 HydrophobicContact CG1-CB 4.4Å
532	L	93.2	Very high	84.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.7	174.4	-63	164.4	0	0	0	108.5	R470 S471 F472 F473 E488 V490 T505 R507	R470-L532 HydrophobicContact CB-CD1 4.11Å; R470-L532 HydrophobicContact CG-CD1 4.21Å; S471-L532 PolarHBondContact O-N 2.84Å; F472-L532 CarbonylContact C-O 3.6Å; F472-L532 WeakPolarHBondContact CA-O 3.46Å; F472-L532 HydrophobicContact CD1-CB 3.85Å; F472-L532 WeakPolarHBondContact CD1-O 3.37Å; F472-L532 HydrophobicContact CE1-CB 4.02Å; F472-L532 HydrophobicContact CE1-CD1 4.16Å; F473-L532 PolarHBondContact N-O 2.85Å; E488-L532 HydrophobicContact CB-CD2 4.44Å; V490-L532 HydrophobicContact CB-CD1 4.4Å; V490-L532 HydrophobicContact CG1-CD1 3.94Å; V490-L532 HydrophobicContact CG2-CD1 3.57Å; V490-L532 HydrophobicContact CG2-CD2 3.88Å; V490-L532 HydrophobicContact CG2-CG 4.26Å; T505-L532 HydrophobicContact CG2-CB 4.27Å; T505-L532 HydrophobicContact CG2-CD2 3.97Å; R507-L532 HydrophobicContact CB-CD2 4.22Å
533	W	89.9	Confident	86.4	Confident	28 Å²	28	52.8 Å²	52.8	11%	0.106	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	150.1	179.5	68.9	27.7	0	0	0	112	F473 A478 L483 T505 R506 V508	F473-W533 CarbonylContact O-C 3.54Å; F473-W533 WeakPolarHBondContact O-CA 3.15Å; A478-W533 HydrophobicContact CB-CD2 4.34Å; A478-W533 HydrophobicContact CB-CE3 3.32Å; A478-W533 HydrophobicContact CB-CZ3 3.68Å; L483-W533 WeakPolarHBondContact O-CZ3 3.46Å; T505-W533 PolarHBondContact OG1-O 2.75Å; R506-W533 HydrophobicContact CB-CD2 3.77Å; R506-W533 VanDerWaalsContact CB-CE2 3.46Å; R506-W533 HydrophobicContact CB-CE3 4.23Å; R506-W533 HydrophobicContact CB-CG 4.32Å; R506-W533 HydrophobicContact CB-CH2 4.3Å; R506-W533 HydrophobicContact CB-CZ2 3.77Å; R506-W533 HydrophobicContact CB-CZ3 4.48Å; R506-W533 HydrophobicContact CG-CD2 4.35Å; R506-W533 HydrophobicContact CG-CH2 4.06Å; R506-W533 HydrophobicContact CG-CZ2 3.4Å; R506-W533 VanDerWaalsContact CG-CZ2 3.4Å; R506-W533 VanDerWaalsContact N-NE1 3.17Å; R506-W533 PolarHBondContact O-N 2.85Å; V508-W533 HydrophobicContact CG1-CD2 4.39Å; V508-W533 HydrophobicContact CG1-CE3 3.58Å; V508-W533 HydrophobicContact CG1-CZ3 4.12Å
534	L	87.5	Confident	87.7	Confident	15 Å²	15	48.6 Å²	48.6	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.8	174.8	-72.8	177.8	0	0	0	109.5	F472 F473 T474 E475 I492 K503 K536	F472-L534 HydrophobicContact CB-CD1 4.31Å; F472-L534 HydrophobicContact CD1-CD1 3.31Å; F472-L534 HydrophobicContact CD1-CG 3.69Å; F472-L534 HydrophobicContact CE1-CD1 3.65Å; F472-L534 HydrophobicContact CE1-CG 4.17Å; F472-L534 HydrophobicContact CG-CD1 3.84Å; F472-L534 HydrophobicContact CG-CG 4.47Å; F472-L534 HydrophobicContact CZ-CD1 4.41Å; F473-L534 PolarHBondContact O-N 3.42Å; T474-L534 CarbonylContact C-O 3.4Å; T474-L534 WeakPolarHBondContact CA-O 3.36Å; E475-L534 PolarHBondContact N-O 2.85Å; I492-L534 HydrophobicContact CD1-CD1 4.03Å; I492-L534 HydrophobicContact CD1-CD2 3.88Å; K503-L534 HydrophobicContact CD-CD2 4.29Å; L534-K536 PolarHBondContact O-N 2.97Å; L534-K536 VanDerWaalsContact O-N 3.15Å
535	S	84.7	Confident	88.3	Confident	75 Å²	75	48.3 Å²	48.3	52%	0.524	26%	0.256	S	S	.	.	S	Bend	trans	-55.8	-33.6	176.2	58.2	0	0	0	0	112.3	E475	E475-S535 WeakPolarHBondContact OE2-CA 3.3Å; E475-S535 WeakPolarHBondContact OE2-CB 3.41Å
536	K	83.7	Confident	88.3	Confident	135 Å²	135	47.3 Å²	47.3	59%	0.587	26%	0.255	S	S	*	.			trans	-154.5	125.4	175	-171.2	174.9	-176.2	177.2	0	110.9	L534 C538	L534-K536 PolarHBondContact O-N 2.97Å; L534-K536 VanDerWaalsContact O-N 3.15Å; K536-C538 WeakPolarHBondContact CE-O 3.42Å; K536-C538 WeakPolarHBondContact CG-O 3.43Å
537	I	86.6	Confident	88.2	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.108	26%	0.256	C	S	.	.	S	Bend	trans	-75.6	-53.5	174.9	-63.9	175	0	0	0	110.5	F472 T474 I570 L573	F472-I537 HydrophobicContact CB-CD1 4.24Å; F472-I537 HydrophobicContact CB-CG1 4.16Å; T474-I537 HydrophobicContact CG2-CD1 3.91Å; T474-I537 HydrophobicContact CG2-CG1 4.06Å; I537-I570 HydrophobicContact CD1-CG2 4.15Å; I537-I570 HydrophobicContact CG2-CG2 4.31Å; I537-L573 HydrophobicContact CD1-CB 4.19Å; I537-L573 HydrophobicContact CG2-CB 3.81Å; I537-L573 HydrophobicContact CG2-CD1 3.78Å; I537-L573 HydrophobicContact CG2-CG 4.46Å
538	C	81	Confident	87.7	Confident	21 Å²	21	44.9 Å²	44.9	14%	0.142	25%	0.251	C	S	.	.	S	Bend	trans	-151.9	169.3	178.3	63.4	0	0	0	0	112	K536 L622	K536-C538 WeakPolarHBondContact CE-O 3.42Å; K536-C538 WeakPolarHBondContact CG-O 3.43Å; C538-L622 HydrophobicContact CB-CD2 3.77Å
539	S	80.2	Confident	87.3	Confident	69 Å²	69	52.5 Å²	52.5	48%	0.483	27%	0.272	S	S	.	.	S	Bend	trans	-66	155.6	166.4	73.2	0	0	0	0	111	I541	S539-I541 PolarHBondContact O-N 2.79Å
540	S	85	Confident	87	Confident	44 Å²	44	57.9 Å²	57.9	31%	0.308	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-54.4	132.3	-177.1	-48.8	0	0	0	0	112.5	C567 F568 R620	S540-C567 WeakPolarHBondContact CB-SG 3.1Å; S540-F568 CarbonylContact C-O 3.47Å; S540-F568 VanDerWaalsContact CA-O 3.29Å; S540-F568 WeakPolarHBondContact CA-O 3.5Å; S540-R620 PolarHBondContact O-NH1 3.29Å; S540-R620 VanDerWaalsContact O-NH1 3.08Å
541	I	84.1	Confident	86.8	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.097	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-75.9	135.2	178.6	-61.6	-174.7	0	0	0	108.7	L443 T445 L463 S539 C567 F568 I570	L443-I541 HydrophobicContact CD1-CD1 3.95Å; L443-I541 HydrophobicContact CD1-CG1 4.37Å; L443-I541 HydrophobicContact CD1-CG2 4.44Å; T445-I541 HydrophobicContact CG2-CD1 3.85Å; L463-I541 HydrophobicContact CD1-CD1 4.41Å; S539-I541 PolarHBondContact O-N 2.79Å; I541-C567 VanDerWaalsContact O-CA 3.31Å; I541-C567 WeakPolarHBondContact O-CA 3.19Å; I541-C567 PolarHBondContact O-SG 3.05Å; I541-F568 PolarHBondContact N-O 3.15Å; I541-F568 PolarHBondContact O-N 2.95Å; I541-F568 VanDerWaalsContact O-N 3.1Å; I541-I570 HydrophobicContact CD1-CD1 3.52Å; I541-I570 HydrophobicContact CD1-CG1 3.42Å; I541-I570 VanDerWaalsContact CD1-CG1 3.42Å; I541-I570 HydrophobicContact CG1-CD1 4.48Å; I541-I570 HydrophobicContact CG1-CG1 4.1Å
542	Q	79.8	Confident	86.6	Confident	77 Å²	77	63.7 Å²	63.7	36%	0.36	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.1	-178	-63.6	177.7	-42.7	0	0	112.4	R440 N544	R440-Q542 PolarHBondContact NH2-O 3.03Å; Q542-N544 PolarHBondContact O-N 3.47Å
543	A	85	Confident	86.7	Confident	41 Å²	41	65 Å²	65	34%	0.339	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-54.9	118.5	179.3	0	0	0	0	0	114.2	R440 R565	R440-A543 PolarHBondContact NH1-O 3.41Å; R440-A543 VanDerWaalsContact NH2-C 3.31Å; R440-A543 PolarHBondContact NH2-O 2.95Å; A543-R565 CarbonylContact C-O 3.54Å; A543-R565 VanDerWaalsContact C-O 3.27Å; A543-R565 WeakPolarHBondContact CA-O 3.38Å; A543-R565 WeakPolarHBondContact CB-O 3.33Å
544	N	86.9	Confident	86.9	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.043	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-73.9	149.1	179.1	66	12.5	0	0	0	111.6	L442 Q542 Q562 F563 P564 R565	L442-N544 HydrophobicContact CD2-CB 3.99Å; Q542-N544 PolarHBondContact O-N 3.47Å; N544-Q562 PolarHBondContact ND2-O 3.27Å; N544-Q562 PolarHBondContact OD1-O 2.85Å; N544-F563 HydrophobicContact CB-CD1 3.97Å; N544-F563 HydrophobicContact CB-CE1 3.76Å; N544-F563 VanDerWaalsContact CG-CD1 3.48Å; N544-F563 VanDerWaalsContact ND2-CD1 3.28Å; N544-F563 WeakPolarHBondContact ND2-CD1 3.45Å; N544-F563 WeakPolarHBondContact ND2-CE1 3.43Å; N544-F563 VanDerWaalsContact ND2-CZ 3.35Å; N544-F563 WeakPolarHBondContact ND2-CZ 3.2Å; N544-P564 WeakPolarHBondContact OD1-CA 3.16Å; N544-R565 PolarHBondContact N-O 2.97Å; N544-R565 VanDerWaalsContact N-O 3.08Å; N544-R565 PolarHBondContact ND2-NH1 2.85Å; N544-R565 WeakPolarHBondContact OD1-CB 3.45Å; N544-R565 PolarHBondContact OD1-N 2.98Å
545	P	86.4	Confident	87.1	Confident	45 Å²	45	68 Å²	68	29%	0.292	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-78.9	170.1	-180	33.8	-34.6	0	0	0	111.8	F563 M610	P545-F563 WeakPolarHBondContact O-CD1 3.42Å; P545-M610 HydrophobicContact CG-CE 3.95Å; P545-M610 HydrophobicContact CG-SD 4.06Å
546	L	89.5	Confident	87.4	Confident	122 Å²	122	68.6 Å²	68.6	64%	0.639	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-59.3	135.3	162.8	-81.7	162	0	0	0	109.7	P564	L546-P564 VanDerWaalsContact CD2-CD 3.47Å; L546-P564 HydrophobicContact CD2-CG 3.92Å; L546-P564 HydrophobicContact CG-CB 4.15Å; L546-P564 HydrophobicContact CG-CG 3.85Å
547	L	89.7	Confident	87.9	Confident	42 Å²	42	63.2 Å²	63.2	22%	0.22	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.8	134.8	174.1	-62.3	-179.6	0	0	0	110.2	W551 L554 L559 F563 V606	L547-W551 HydrophobicContact CB-CE3 4.22Å; L547-W551 HydrophobicContact CB-CZ3 4.39Å; L547-W551 HydrophobicContact CD2-CE3 4.11Å; L547-W551 HydrophobicContact CD2-CZ3 3.82Å; L547-L554 HydrophobicContact CD1-CD1 4.04Å; L547-L554 HydrophobicContact CD2-CD1 4.01Å; L547-L554 HydrophobicContact CG-CD1 4.45Å; L547-L559 HydrophobicContact CD1-CD1 3.53Å; L547-F563 HydrophobicContact CD1-CB 4.3Å; L547-F563 HydrophobicContact CD1-CD1 4.48Å; L547-F563 HydrophobicContact CD1-CD2 4.42Å; L547-F563 HydrophobicContact CD1-CG 4.16Å; L547-F563 HydrophobicContact CD2-CB 4.49Å; L547-F563 HydrophobicContact CD2-CD1 3.52Å; L547-F563 HydrophobicContact CD2-CE1 3.85Å; L547-F563 HydrophobicContact CD2-CG 4.03Å; L547-F563 HydrophobicContact CG-CB 3.85Å; L547-F563 HydrophobicContact CG-CD1 3.84Å; L547-F563 HydrophobicContact CG-CG 3.85Å; L547-V606 HydrophobicContact CD1-CG2 4.32Å; L547-V606 HydrophobicContact CD2-CG1 4.19Å
548	Q	86.1	Confident	88.2	Confident	58 Å²	58	67 Å²	67	27%	0.271	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-77.6	137.1	-175.7	-61.1	-177	-28.3	0	0	111.1	R550 W551 E612	Q548-R550 HydrophobicContact CB-CG 4.07Å; Q548-R550 PolarHBondContact O-N 2.88Å; Q548-W551 HydrophobicContact CB-CD2 3.82Å; Q548-W551 HydrophobicContact CB-CE3 3.94Å; Q548-W551 HydrophobicContact CB-CG 4.34Å; Q548-W551 HydrophobicContact CB-CH2 4.37Å; Q548-W551 HydrophobicContact CB-CZ2 4.24Å; Q548-W551 HydrophobicContact CB-CZ3 4.23Å; Q548-W551 HydrophobicContact CG-CD2 4.37Å; Q548-W551 HydrophobicContact CG-CE3 4.31Å; Q548-W551 HydrophobicContact CG-CH2 3.87Å; Q548-W551 HydrophobicContact CG-CZ2 3.9Å; Q548-W551 HydrophobicContact CG-CZ3 4.09Å; Q548-W551 VanDerWaalsContact N-CE3 3.26Å; Q548-W551 WeakPolarHBondContact O-CB 3.49Å; Q548-W551 PolarHBondContact O-N 3.04Å; Q548-W551 VanDerWaalsContact OE1-CE2 3.3Å; Q548-E612 PolarHBondContact NE2-OE2 2.93Å; Q548-E612 PolarHBondContact OE1-OE2 2.99Å
549	R	87.4	Confident	88.9	Confident	230 Å²	230	68.5 Å²	68.5	87%	0.868	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.1	178.9	-61.3	-179.9	92.7	143.8	3.4	114.4	H555	R549-H555 PolarHBondContact O-CE1 3.47Å; R549-H555 PolarHBondContact O-NE2 2.68Å; R549-H555 VanDerWaalsContact O-NE2 3.1Å
550	R	88.9	Confident	89.6	Confident	113 Å²	113	65.5 Å²	65.5	43%	0.426	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.9	176	67.8	173	-178.7	168.1	0.1	112.9	Q548 K552 E612	Q548-R550 HydrophobicContact CB-CG 4.07Å; Q548-R550 PolarHBondContact O-N 2.88Å; R550-K552 PolarHBondContact O-N 3.49Å; R550-E612 IonicContact CZ-OE1 3.43Å; R550-E612 IonicContact CZ-OE2 3.47Å; R550-E612 IonicContact NH1-OE1 2.6Å; R550-E612 PolarHBondContact NH1-OE1 3.23Å; R550-E612 IonicContact NH1-OE2 3.36Å; R550-E612 IonicContact NH2-OE1 3.68Å; R550-E612 PolarHBondContact NH2-OE1 3.31Å; R550-E612 IonicContact NH2-OE2 2.82Å; R550-E612 PolarHBondContact NH2-OE2 2.83Å
551	W	91	Very high	90	Very high	5 Å²	5	63.8 Å²	63.8	2%	0.019	32%	0.322	C	S	.	.			trans	-78.6	71.1	179.4	-60.8	-27.8	0	0	0	109.9	L547 Q548 H553 L554 E594 P595 M610	L547-W551 HydrophobicContact CB-CE3 4.22Å; L547-W551 HydrophobicContact CB-CZ3 4.39Å; L547-W551 HydrophobicContact CD2-CE3 4.11Å; L547-W551 HydrophobicContact CD2-CZ3 3.82Å; Q548-W551 HydrophobicContact CB-CD2 3.82Å; Q548-W551 HydrophobicContact CB-CE3 3.94Å; Q548-W551 HydrophobicContact CB-CG 4.34Å; Q548-W551 HydrophobicContact CB-CH2 4.37Å; Q548-W551 HydrophobicContact CB-CZ2 4.24Å; Q548-W551 HydrophobicContact CB-CZ3 4.23Å; Q548-W551 HydrophobicContact CG-CD2 4.37Å; Q548-W551 HydrophobicContact CG-CE3 4.31Å; Q548-W551 HydrophobicContact CG-CH2 3.87Å; Q548-W551 HydrophobicContact CG-CZ2 3.9Å; Q548-W551 HydrophobicContact CG-CZ3 4.09Å; Q548-W551 VanDerWaalsContact N-CE3 3.26Å; Q548-W551 WeakPolarHBondContact O-CB 3.49Å; Q548-W551 PolarHBondContact O-N 3.04Å; Q548-W551 VanDerWaalsContact OE1-CE2 3.3Å; W551-H553 PolarHBondContact O-N 2.76Å; W551-H553 VanDerWaalsContact O-N 3.15Å; W551-L554 HydrophobicContact CB-CB 4.42Å; W551-L554 HydrophobicContact CB-CD1 3.93Å; W551-L554 HydrophobicContact CB-CG 3.99Å; W551-L554 HydrophobicContact CD2-CD1 4.32Å; W551-L554 HydrophobicContact CE3-CD1 3.76Å; W551-L554 HydrophobicContact CG-CD1 4.45Å; W551-L554 WeakPolarHBondContact O-CB 3.49Å; W551-L554 PolarHBondContact O-N 3.21Å; W551-E594 VanDerWaalsContact CD1-CD 3.46Å; W551-P595 HydrophobicContact CD2-CG 3.99Å; W551-P595 HydrophobicContact CE3-CG 3.83Å; W551-P595 HydrophobicContact CH2-CG 3.98Å; W551-P595 HydrophobicContact CZ2-CG 4.14Å; W551-P595 HydrophobicContact CZ3-CG 3.82Å; W551-M610 HydrophobicContact CH2-CG 4.22Å; W551-M610 HydrophobicContact CH2-SD 3.79Å; W551-M610 HydrophobicContact CZ3-SD 4.44Å
552	K	92.5	Very high	90.3	Very high	169 Å²	169	67.8 Å²	67.8	74%	0.735	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-56.2	-33.1	-172.8	-64.6	-177.4	-176.8	179	0	112.5	R550 L554 H555	R550-K552 PolarHBondContact O-N 3.49Å; K552-L554 PolarHBondContact O-N 2.82Å; K552-H555 WeakPolarHBondContact O-CB 3.19Å; K552-H555 PolarHBondContact O-N 2.77Å; K552-H555 VanDerWaalsContact O-N 3.16Å
553	H	94.1	Very high	90.9	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.134	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-65.6	-20	178.4	63.7	-67.3	0	0	0	113.7	W551 R588 G590 E594 P595	W551-H553 PolarHBondContact O-N 2.76Å; W551-H553 VanDerWaalsContact O-N 3.15Å; H553-R588 HydrophobicContact CB-CB 4.38Å; H553-R588 WeakPolarHBondContact O-CD 3.47Å; H553-G590 VanDerWaalsContact CE1-CA 3.41Å; H553-G590 WeakPolarHBondContact CE1-CA 3.47Å; H553-G590 PolarHBondContact NE2-N 3.18Å; H553-E594 IonicContact CE1-OE2 2.69Å; H553-P595 PolarHBondContact NE2-O 2.74Å
554	L	94.5	Very high	91.2	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-91.5	-9.2	176.6	-53.9	-171.9	0	0	0	113.7	L547 W551 K552 L557 P595 A597 V606	L547-L554 HydrophobicContact CD1-CD1 4.04Å; L547-L554 HydrophobicContact CD2-CD1 4.01Å; L547-L554 HydrophobicContact CG-CD1 4.45Å; W551-L554 HydrophobicContact CB-CB 4.42Å; W551-L554 HydrophobicContact CB-CD1 3.93Å; W551-L554 HydrophobicContact CB-CG 3.99Å; W551-L554 HydrophobicContact CD2-CD1 4.32Å; W551-L554 HydrophobicContact CE3-CD1 3.76Å; W551-L554 HydrophobicContact CG-CD1 4.45Å; W551-L554 WeakPolarHBondContact O-CB 3.49Å; W551-L554 PolarHBondContact O-N 3.21Å; K552-L554 PolarHBondContact O-N 2.82Å; L554-L557 HydrophobicContact CD2-CD1 4.36Å; L554-L557 WeakPolarHBondContact O-CG 3.25Å; L554-P595 HydrophobicContact CD1-CG 4.06Å; L554-A597 HydrophobicContact CD2-CB 3.61Å; L554-V606 HydrophobicContact CD1-CG1 4.01Å; L554-V606 HydrophobicContact CD1-CG2 4.44Å; L554-V606 HydrophobicContact CD2-CG1 4.49Å; L554-V606 HydrophobicContact CD2-CG2 4.3Å
555	H	92.7	Very high	91.3	Very high	95 Å²	95	67.3 Å²	67.3	44%	0.44	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	141.8	-177.5	-67.4	172.9	0	0	0	112.1	R549 K552 L557	R549-H555 PolarHBondContact O-CE1 3.47Å; R549-H555 PolarHBondContact O-NE2 2.68Å; R549-H555 VanDerWaalsContact O-NE2 3.1Å; K552-H555 WeakPolarHBondContact O-CB 3.19Å; K552-H555 PolarHBondContact O-N 2.77Å; K552-H555 VanDerWaalsContact O-N 3.16Å; H555-L557 PolarHBondContact O-N 2.94Å; H555-L557 VanDerWaalsContact O-N 3.15Å
556	G	91	Very high	91.4	Very high	88 Å²	88	72.9 Å²	72.9	91%	0.907	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	2.7	178.4	0	0	0	0	0	114.7
557	L	93.6	Very high	91.3	Very high	22 Å²	22	70.7 Å²	70.7	12%	0.115	35%	0.35	C	S	.	.			trans	-75.4	131.4	178.1	-61.5	-170.9	0	0	0	110.8	L554 H555 L559 R588 A597 W604	L554-L557 HydrophobicContact CD2-CD1 4.36Å; L554-L557 WeakPolarHBondContact O-CG 3.25Å; H555-L557 PolarHBondContact O-N 2.94Å; H555-L557 VanDerWaalsContact O-N 3.15Å; L557-L559 HydrophobicContact CB-CD2 3.84Å; L557-L559 PolarHBondContact O-N 2.64Å; L557-L559 VanDerWaalsContact O-N 3.08Å; L557-R588 VanDerWaalsContact CD2-NH1 3.34Å; L557-A597 HydrophobicContact CD1-CB 3.58Å; L557-W604 HydrophobicContact CB-CB 4.06Å; L557-W604 HydrophobicContact CB-CG 3.95Å; L557-W604 HydrophobicContact CD1-CB 4.04Å; L557-W604 HydrophobicContact CD1-CD2 3.88Å; L557-W604 HydrophobicContact CD1-CE3 4.07Å; L557-W604 HydrophobicContact CD1-CG 3.88Å; L557-W604 HydrophobicContact CD2-CD2 3.95Å; L557-W604 HydrophobicContact CD2-CG 4.04Å; L557-W604 HydrophobicContact CD2-CZ2 4.3Å; L557-W604 HydrophobicContact CG-CD2 4.39Å; L557-W604 HydrophobicContact CG-CG 4.19Å
558	K	93.5	Very high	91.1	Very high	101 Å²	101	73.3 Å²	73.3	44%	0.439	36%	0.36	S	S	.	.			trans	-73.5	97.1	165.7	-174.2	173.4	-179.8	176.2	0	109	D516 W604	D516-K558 PolarHBondContact O-NZ 2.96Å; K558-W604 PolarHBondContact O-N 2.76Å
559	L	94.8	Very high	91.4	Very high	51 Å²	51	76.1 Å²	76.1	27%	0.267	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-74.1	138.9	-175.8	-56.3	-178.5	0	0	0	111	L547 L557 D561 F563 W604 V606	L547-L559 HydrophobicContact CD1-CD1 3.53Å; L557-L559 HydrophobicContact CB-CD2 3.84Å; L557-L559 PolarHBondContact O-N 2.64Å; L557-L559 VanDerWaalsContact O-N 3.08Å; L559-D561 WeakPolarHBondContact CB-O 3.27Å; L559-D561 PolarHBondContact O-N 2.93Å; L559-F563 HydrophobicContact CD1-CD2 3.72Å; L559-F563 HydrophobicContact CD1-CE2 4.34Å; L559-F563 HydrophobicContact CD1-CG 4.43Å; L559-W604 CarbonylContact C-O 3.54Å; L559-W604 VanDerWaalsContact CA-O 3.25Å; L559-W604 WeakPolarHBondContact CA-O 3.35Å; L559-W604 HydrophobicContact CD2-CB 4.14Å; L559-V606 HydrophobicContact CD2-CG2 3.86Å
560	A	94.6	Very high	91.7	Very high	6 Å²	6	65.6 Å²	65.6	5%	0.05	33%	0.333	C	S	.	.	S	Bend	trans	-74.3	-13.6	173.6	0	0	0	0	0	112.1	A446 R447 F602 W604 I605	A446-A560 HydrophobicContact CB-CB 3.8Å; R447-A560 WeakPolarHBondContact CB-O 3.4Å; R447-A560 PolarHBondContact N-O 2.92Å; A560-F602 HydrophobicContact CB-CB 3.8Å; A560-W604 PolarHBondContact N-O 2.68Å; A560-I605 HydrophobicContact CB-CG2 3.82Å
561	D	92.9	Very high	92	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.048	32%	0.32	C	S	.	.	S	Bend	trans	-133	160.2	-175.8	-159.2	-9.3	0	0	0	111	T445 L559 F563 R565	T445-D561 WeakPolarHBondContact CB-OD2 3.42Å; T445-D561 PolarHBondContact OG1-OD2 3.47Å; L559-D561 WeakPolarHBondContact CB-O 3.27Å; L559-D561 PolarHBondContact O-N 2.93Å; D561-F563 HydrophobicContact CB-CE2 4Å; D561-R565 IonicContact OD1-CZ 3.54Å; D561-R565 IonicContact OD1-NH1 3.98Å; D561-R565 PolarHBondContact OD1-NH1 2.67Å; D561-R565 IonicContact OD2-CZ 2.83Å; D561-R565 IonicContact OD2-NH1 2.92Å; D561-R565 PolarHBondContact OD2-NH1 2.85Å; D561-R565 IonicContact OD2-NH2 3.67Å
562	Q	91.7	Very high	92.2	Very high	103 Å²	103	61.4 Å²	61.4	48%	0.481	32%	0.319	S	S	.	.			trans	-85.3	133.7	179.7	-168.5	178.6	-3	0	0	110.9	N544 P564 R565	N544-Q562 PolarHBondContact ND2-O 3.27Å; N544-Q562 PolarHBondContact OD1-O 2.85Å; Q562-P564 WeakPolarHBondContact CG-O 3.49Å; Q562-R565 HydrophobicContact CB-CB 4.43Å; Q562-R565 WeakPolarHBondContact O-CB 3.44Å
563	F	91.5	Very high	92.4	Very high	31 Å²	31	53.9 Å²	53.9	14%	0.136	29%	0.287	C	S	.	.	S	Bend	trans	-129.1	113.7	172	-71.1	-99.6	0	0	0	108.7	L442 N544 P545 L547 L559 D561 V606	L442-F563 HydrophobicContact CD1-CE1 3.99Å; N544-F563 HydrophobicContact CB-CD1 3.97Å; N544-F563 HydrophobicContact CB-CE1 3.76Å; N544-F563 VanDerWaalsContact CG-CD1 3.48Å; N544-F563 VanDerWaalsContact ND2-CD1 3.28Å; N544-F563 WeakPolarHBondContact ND2-CD1 3.45Å; N544-F563 WeakPolarHBondContact ND2-CE1 3.43Å; N544-F563 VanDerWaalsContact ND2-CZ 3.35Å; N544-F563 WeakPolarHBondContact ND2-CZ 3.2Å; P545-F563 WeakPolarHBondContact O-CD1 3.42Å; L547-F563 HydrophobicContact CD1-CB 4.3Å; L547-F563 HydrophobicContact CD1-CD1 4.48Å; L547-F563 HydrophobicContact CD1-CD2 4.42Å; L547-F563 HydrophobicContact CD1-CG 4.16Å; L547-F563 HydrophobicContact CD2-CB 4.49Å; L547-F563 HydrophobicContact CD2-CD1 3.52Å; L547-F563 HydrophobicContact CD2-CE1 3.85Å; L547-F563 HydrophobicContact CD2-CG 4.03Å; L547-F563 HydrophobicContact CG-CB 3.85Å; L547-F563 HydrophobicContact CG-CD1 3.84Å; L547-F563 HydrophobicContact CG-CG 3.85Å; L559-F563 HydrophobicContact CD1-CD2 3.72Å; L559-F563 HydrophobicContact CD1-CE2 4.34Å; L559-F563 HydrophobicContact CD1-CG 4.43Å; D561-F563 HydrophobicContact CB-CE2 4Å; F563-V606 HydrophobicContact CE1-CB 4.41Å; F563-V606 HydrophobicContact CE2-CB 4.22Å; F563-V606 HydrophobicContact CE2-CG2 4.32Å; F563-V606 HydrophobicContact CZ-CB 3.77Å; F563-V606 HydrophobicContact CZ-CG2 4.34Å
564	P	91.3	Very high	92.5	Very high	61 Å²	61	52.5 Å²	52.5	40%	0.396	28%	0.28	S	S	.	.	S	Bend	cis	-84.7	158.3	3.4	36.6	-27.1	0	0	0	111.4	N544 L546 Q562	N544-P564 WeakPolarHBondContact OD1-CA 3.16Å; L546-P564 VanDerWaalsContact CD2-CD 3.47Å; L546-P564 HydrophobicContact CD2-CG 3.92Å; L546-P564 HydrophobicContact CG-CB 4.15Å; L546-P564 HydrophobicContact CG-CG 3.85Å; Q562-P564 WeakPolarHBondContact CG-O 3.49Å
565	R	89.7	Confident	92.5	Very high	24 Å²	24	52 Å²	52	9%	0.091	28%	0.278	C	S	.	.			trans	-135.1	145.2	174.3	-175.5	-169.9	63	-108.9	13.4	108.9	A543 N544 D561 Q562	A543-R565 CarbonylContact C-O 3.54Å; A543-R565 VanDerWaalsContact C-O 3.27Å; A543-R565 WeakPolarHBondContact CA-O 3.38Å; A543-R565 WeakPolarHBondContact CB-O 3.33Å; N544-R565 PolarHBondContact N-O 2.97Å; N544-R565 VanDerWaalsContact N-O 3.08Å; N544-R565 PolarHBondContact ND2-NH1 2.85Å; N544-R565 WeakPolarHBondContact OD1-CB 3.45Å; N544-R565 PolarHBondContact OD1-N 2.98Å; D561-R565 IonicContact OD1-CZ 3.54Å; D561-R565 IonicContact OD1-NH1 3.98Å; D561-R565 PolarHBondContact OD1-NH1 2.67Å; D561-R565 IonicContact OD2-CZ 2.83Å; D561-R565 IonicContact OD2-NH1 2.92Å; D561-R565 PolarHBondContact OD2-NH1 2.85Å; D561-R565 IonicContact OD2-NH2 3.67Å; Q562-R565 HydrophobicContact CB-CB 4.43Å; Q562-R565 WeakPolarHBondContact O-CB 3.44Å
566	E	89.2	Confident	92.6	Very high	162 Å²	162	51 Å²	51	76%	0.757	28%	0.275	S	S	*	.			trans	-71.7	-180	172	-61.7	-171.8	170.6	0	0	113
567	C	87.1	Confident	92.8	Very high	75 Å²	75	49.1 Å²	49.1	51%	0.507	24%	0.244	S	C	.	.			trans	-61.1	138.7	174.4	-167.6	0	0	0	0	110.1	S540 I541	S540-C567 WeakPolarHBondContact CB-SG 3.1Å; I541-C567 VanDerWaalsContact O-CA 3.31Å; I541-C567 WeakPolarHBondContact O-CA 3.19Å; I541-C567 PolarHBondContact O-SG 3.05Å
568	F	85.9	Confident	93	Very high	97 Å²	97	50.1 Å²	50.1	43%	0.425	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-146.2	156.6	-173.1	-141.3	-87.7	0	0	0	112.9	M461 S540 I541	M461-F568 HydrophobicContact CB-CD1 4.12Å; M461-F568 HydrophobicContact CB-CE1 4.25Å; M461-F568 HydrophobicContact CG-CD1 3.31Å; M461-F568 HydrophobicContact CG-CE1 3.36Å; M461-F568 HydrophobicContact CG-CG 4.19Å; M461-F568 HydrophobicContact CG-CZ 4.27Å; S540-F568 CarbonylContact C-O 3.47Å; S540-F568 VanDerWaalsContact CA-O 3.29Å; S540-F568 WeakPolarHBondContact CA-O 3.5Å; I541-F568 PolarHBondContact N-O 3.15Å; I541-F568 PolarHBondContact O-N 2.95Å; I541-F568 VanDerWaalsContact O-N 3.1Å
569	K	91.6	Very high	93.1	Very high	118 Å²	118	46 Å²	46	51%	0.513	23%	0.229	S	C	.	.			trans	-94	141.2	173.9	-69.5	-177.4	178.8	178.8	0	110.5	E476	E476-K569 IonicContact OE2-NZ 3.07Å
570	I	93.4	Very high	93.1	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	25%	0.247	C	C	.	.			trans	-81.4	129.9	172.7	-66.7	-56.3	0	0	0	109.4	T445 M461 L463 T474 I537 I541 V572	T445-I570 HydrophobicContact CG2-CD1 4.27Å; M461-I570 HydrophobicContact CB-CD1 4.21Å; L463-I570 HydrophobicContact CB-CD1 3.88Å; L463-I570 HydrophobicContact CB-CG1 3.93Å; L463-I570 HydrophobicContact CB-CG2 3.8Å; L463-I570 HydrophobicContact CD2-CG1 4.43Å; T474-I570 WeakPolarHBondContact CG2-O 3.44Å; I537-I570 HydrophobicContact CD1-CG2 4.15Å; I537-I570 HydrophobicContact CG2-CG2 4.31Å; I541-I570 HydrophobicContact CD1-CD1 3.52Å; I541-I570 HydrophobicContact CD1-CG1 3.42Å; I541-I570 VanDerWaalsContact CD1-CG1 3.42Å; I541-I570 HydrophobicContact CG1-CD1 4.48Å; I541-I570 HydrophobicContact CG1-CG1 4.1Å; I570-V572 WeakPolarHBondContact CG2-O 3.12Å
571	D	95.1	Very high	93.1	Very high	29 Å²	29	55.6 Å²	55.6	16%	0.155	27%	0.265	C	S	.	.	S	Bend	trans	-90.7	-37.5	177.2	-60	-57.6	0	0	0	111.3	V460 M461 T474 L477	V460-D571 WeakPolarHBondContact CA-OD2 3.5Å; V460-D571 HydrophobicContact CB-CB 3.95Å; V460-D571 HydrophobicContact CG1-CB 4.24Å; M461-D571 PolarHBondContact N-OD2 2.9Å; M461-D571 PolarHBondContact O-N 3.42Å; T474-D571 PolarHBondContact N-O 2.83Å; T474-D571 PolarHBondContact OG1-O 2.94Å; L477-D571 HydrophobicContact CD2-CB 3.9Å
572	V	96.3	Very high	93.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.2	-176.9	-170	0	0	0	0	110.3	V460 M461 C462 L463 F472 F473 F510 I570 I574	V460-V572 HydrophobicContact CB-CG2 4.21Å; V460-V572 HydrophobicContact CG2-CG2 4.06Å; M461-V572 PolarHBondContact O-N 3.32Å; M461-V572 VanDerWaalsContact O-N 3.15Å; C462-V572 CarbonylContact C-O 3.59Å; C462-V572 VanDerWaalsContact CA-O 3.25Å; C462-V572 WeakPolarHBondContact CA-O 3.48Å; L463-V572 PolarHBondContact N-O 2.93Å; F472-V572 CarbonylContact O-C 3.58Å; F472-V572 WeakPolarHBondContact O-CA 3.34Å; F473-V572 HydrophobicContact CD2-CB 4.43Å; F473-V572 HydrophobicContact CD2-CG1 4.42Å; F473-V572 HydrophobicContact CD2-CG2 3.59Å; F473-V572 HydrophobicContact CE2-CG2 3.57Å; F510-V572 HydrophobicContact CE2-CG1 4.1Å; F510-V572 HydrophobicContact CE2-CG2 4.41Å; F510-V572 HydrophobicContact CZ-CG1 3.76Å; F510-V572 HydrophobicContact CZ-CG2 4.35Å; I570-V572 WeakPolarHBondContact CG2-O 3.12Å; V572-I574 HydrophobicContact CG1-CG1 4.25Å
573	L	95.9	Very high	93.4	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	165	-175.2	151.7	0	0	0	108.2	L463 D465 S471 F472 I537	L463-L573 HydrophobicContact CD2-CD1 4.21Å; L463-L573 CarbonylContact O-C 3.52Å; L463-L573 WeakPolarHBondContact O-CA 3.41Å; D465-L573 HydrophobicContact CB-CD1 4.05Å; D465-L573 HydrophobicContact CB-CD2 4.08Å; D465-L573 HydrophobicContact CB-CG 4.03Å; S471-L573 CarbonylContact C-O 3.57Å; S471-L573 WeakPolarHBondContact CA-O 3.2Å; S471-L573 WeakPolarHBondContact CB-O 3.44Å; F472-L573 HydrophobicContact CB-CB 4.2Å; F472-L573 HydrophobicContact CD2-CD2 4.02Å; F472-L573 PolarHBondContact N-O 3.29Å; F472-L573 PolarHBondContact O-N 2.9Å; I537-L573 HydrophobicContact CD1-CB 4.19Å; I537-L573 HydrophobicContact CG2-CB 3.81Å; I537-L573 HydrophobicContact CG2-CD1 3.78Å; I537-L573 HydrophobicContact CG2-CG 4.46Å
574	I	96.9	Very high	93.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.4	174.9	-59.3	176	0	0	0	106.8	C462 L463 L464 D465 S471 L512 V572 F582 F602	C462-I574 HydrophobicContact CB-CD1 4.22Å; L463-I574 PolarHBondContact O-N 3.03Å; L464-I574 HydrophobicContact CG-CD1 4.47Å; D465-I574 PolarHBondContact N-O 2.77Å; S471-I574 WeakPolarHBondContact OG-CA 3.19Å; L512-I574 HydrophobicContact CD1-CD1 3.95Å; V572-I574 HydrophobicContact CG1-CG1 4.25Å; I574-F582 HydrophobicContact CD1-CD2 3.82Å; I574-F582 HydrophobicContact CD1-CE2 4.02Å; I574-F582 HydrophobicContact CD1-CG 4.13Å; I574-F582 HydrophobicContact CG2-CD2 3.72Å; I574-F582 HydrophobicContact CG2-CE2 4.17Å; I574-F602 HydrophobicContact CD1-CE2 3.99Å; I574-F602 HydrophobicContact CD1-CZ 4.27Å
575	G	94.8	Very high	93.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.			trans	-81.8	180	176.6	0	0	0	0	0	112.3	S468 S471 D577 Y578 Y579	S468-G575 CarbonylContact O-C 3.57Å; S468-G575 VanDerWaalsContact O-CA 3.25Å; S468-G575 WeakPolarHBondContact O-CA 3.29Å; S471-G575 PolarHBondContact OG-N 3.22Å; G575-D577 VanDerWaalsContact C-OD1 3.25Å; G575-D577 WeakPolarHBondContact CA-OD1 3.48Å; G575-D577 PolarHBondContact O-N 3.17Å; G575-Y578 CarbonylContact O-C 3.59Å; G575-Y578 PolarHBondContact O-N 3.18Å; G575-Y579 WeakPolarHBondContact O-CA 3.4Å; G575-Y579 VanDerWaalsContact O-CB 3.28Å; G575-Y579 WeakPolarHBondContact O-CB 3.47Å; G575-Y579 PolarHBondContact O-N 3.43Å
576	L	94.3	Very high	93.5	Very high	74 Å²	74	62.6 Å²	62.6	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-57.1	-26.8	178	-79.6	178.5	0	0	0	113.7	A466 S468 Y578 Y579 Y580	A466-L576 HydrophobicContact CB-CD2 3.88Å; A466-L576 HydrophobicContact CB-CG 4.44Å; A466-L576 WeakPolarHBondContact O-CD1 3.34Å; A466-L576 VanDerWaalsContact O-CG 3.3Å; A466-L576 WeakPolarHBondContact O-CG 3.35Å; S468-L576 PolarHBondContact O-N 3.05Å; L576-Y578 PolarHBondContact O-N 3.21Å; L576-Y579 HydrophobicContact CD2-CG 4.38Å; L576-Y580 HydrophobicContact CD2-CE2 4Å
577	D	95.7	Very high	93.8	Very high	48 Å²	48	58 Å²	58	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-56	-29.5	173.2	58.6	-13.3	0	0	0	113.9	Q469 R470 S471 G575	Q469-D577 WeakPolarHBondContact O-CB 3.42Å; Q469-D577 PolarHBondContact O-N 2.89Å; R470-D577 WeakPolarHBondContact CA-OD2 3.41Å; R470-D577 IonicContact NE-OD2 2.69Å; S471-D577 VanDerWaalsContact N-CG 3.32Å; S471-D577 PolarHBondContact N-OD1 3.21Å; S471-D577 PolarHBondContact N-OD2 2.83Å; S471-D577 PolarHBondContact OG-OD1 3.42Å; G575-D577 VanDerWaalsContact C-OD1 3.25Å; G575-D577 WeakPolarHBondContact CA-OD1 3.48Å; G575-D577 PolarHBondContact O-N 3.17Å
578	Y	97	Very high	94.2	Very high	42 Å²	42	59.6 Å²	59.6	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-128.3	-2.1	175.3	-66.8	-90.9	0	0	0	113.7	T528 V529 E530 G575 L576 Y580 H581 F582	T528-Y578 WeakPolarHBondContact O-CE1 3.47Å; V529-Y578 HydrophobicContact CG1-CD1 4.48Å; V529-Y578 HydrophobicContact CG1-CD2 3.93Å; V529-Y578 HydrophobicContact CG1-CE2 4.14Å; V529-Y578 HydrophobicContact CG1-CG 4.14Å; V529-Y578 HydrophobicContact CG2-CD1 4.22Å; V529-Y578 HydrophobicContact CG2-CG 4.4Å; E530-Y578 HydrophobicContact CB-CE2 4.5Å; E530-Y578 WeakPolarHBondContact CB-OH 3.35Å; E530-Y578 PolarHBondContact N-OH 3.26Å; E530-Y578 WeakPolarHBondContact O-CE2 3.37Å; G575-Y578 CarbonylContact O-C 3.59Å; G575-Y578 PolarHBondContact O-N 3.18Å; L576-Y578 PolarHBondContact O-N 3.21Å; Y578-Y580 PolarHBondContact O-N 3.3Å; Y578-H581 AromaticContact CD1-ND1 3.39Å; Y578-H581 WeakPolarHBondContact CD1-ND1 3.46Å; Y578-H581 WeakPolarHBondContact O-CA 3.21Å; Y578-H581 WeakPolarHBondContact O-CB 3.43Å; Y578-H581 PolarHBondContact O-N 2.91Å; Y578-F582 VanDerWaalsContact O-CD2 3.28Å; Y578-F582 WeakPolarHBondContact O-CD2 3.47Å; Y578-F582 PolarHBondContact O-N 3.07Å
579	Y	96.2	Very high	94.5	Very high	14 Å²	14	61.3 Å²	61.3	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-54	-50.8	-170.8	-176.3	-90.4	0	0	0	112.4	Q444 L464 A466 G575 L576 H581 F582 V583	Q444-Y579 VanDerWaalsContact CD-OH 3.31Å; Q444-Y579 PolarHBondContact NE2-OH 3.37Å; Q444-Y579 PolarHBondContact OE1-OH 3.17Å; L464-Y579 HydrophobicContact CB-CD2 4.03Å; L464-Y579 HydrophobicContact CB-CE2 3.73Å; A466-Y579 HydrophobicContact CB-CD2 4.33Å; A466-Y579 HydrophobicContact CB-CE2 4.12Å; G575-Y579 WeakPolarHBondContact O-CA 3.4Å; G575-Y579 VanDerWaalsContact O-CB 3.28Å; G575-Y579 WeakPolarHBondContact O-CB 3.47Å; G575-Y579 PolarHBondContact O-N 3.43Å; L576-Y579 HydrophobicContact CD2-CG 4.38Å; Y579-H581 PolarHBondContact O-N 2.89Å; Y579-F582 PolarHBondContact O-N 3.42Å; Y579-V583 HydrophobicContact CD1-CB 4.16Å; Y579-V583 HydrophobicContact CD1-CG2 3.98Å; Y579-V583 HydrophobicContact CD2-CG2 4.38Å; Y579-V583 HydrophobicContact CE1-CB 3.81Å; Y579-V583 HydrophobicContact CE1-CG1 4Å; Y579-V583 HydrophobicContact CE1-CG2 3.57Å; Y579-V583 HydrophobicContact CE2-CG2 4Å; Y579-V583 HydrophobicContact CG-CG2 4.36Å; Y579-V583 PolarHBondContact O-N 2.82Å
580	Y	94.5	Very high	94.2	Very high	167 Å²	167	56.9 Å²	56.9	66%	0.655	28%	0.275	S	S	*	.	H	α-helix	trans	-75.6	-5.2	179.4	-63.9	-68.2	0	0	0	113.9	L576 Y578 F582	L576-Y580 HydrophobicContact CD2-CE2 4Å; Y578-Y580 PolarHBondContact O-N 3.3Å; Y580-F582 VanDerWaalsContact C-N 3.32Å
581	H	94.7	Very high	94	Very high	92 Å²	92	63.6 Å²	63.6	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-76	-24.2	163.2	-57.1	167.6	0	0	0	111.2	R527 Y578 Y579	R527-H581 VanDerWaalsContact CD-O 3.26Å; R527-H581 WeakPolarHBondContact CD-O 3.35Å; R527-H581 PolarHBondContact NE-O 3.35Å; R527-H581 VanDerWaalsContact NE-O 3.11Å; R527-H581 PolarHBondContact NH1-O 3.01Å; Y578-H581 AromaticContact CD1-ND1 3.39Å; Y578-H581 WeakPolarHBondContact CD1-ND1 3.46Å; Y578-H581 WeakPolarHBondContact O-CA 3.21Å; Y578-H581 WeakPolarHBondContact O-CB 3.43Å; Y578-H581 PolarHBondContact O-N 2.91Å; Y579-H581 PolarHBondContact O-N 2.89Å
582	F	95.8	Very high	93.4	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.009	34%	0.341	C	S	.	.	H	α-helix	trans	-106.5	-27.1	-178.7	-65.3	-79.3	0	0	0	113	L464 L512 R527 V529 I574 Y578 Y579 Y580 T600 F601 F602	L464-F582 HydrophobicContact CD2-CB 4.1Å; L512-F582 HydrophobicContact CB-CE1 4.04Å; L512-F582 HydrophobicContact CB-CZ 4.2Å; L512-F582 HydrophobicContact CD1-CE1 4.29Å; L512-F582 HydrophobicContact CD1-CZ 3.99Å; R527-F582 HydrophobicContact CB-CE1 3.77Å; R527-F582 HydrophobicContact CB-CZ 3.74Å; R527-F582 HydrophobicContact CG-CE1 4.32Å; V529-F582 HydrophobicContact CG2-CE2 3.63Å; V529-F582 HydrophobicContact CG2-CZ 3.53Å; I574-F582 HydrophobicContact CD1-CD2 3.82Å; I574-F582 HydrophobicContact CD1-CE2 4.02Å; I574-F582 HydrophobicContact CD1-CG 4.13Å; I574-F582 HydrophobicContact CG2-CD2 3.72Å; I574-F582 HydrophobicContact CG2-CE2 4.17Å; Y578-F582 VanDerWaalsContact O-CD2 3.28Å; Y578-F582 WeakPolarHBondContact O-CD2 3.47Å; Y578-F582 PolarHBondContact O-N 3.07Å; Y579-F582 PolarHBondContact O-N 3.42Å; Y580-F582 VanDerWaalsContact C-N 3.32Å; F582-T600 CarbonylContact O-C 3.32Å; F582-T600 WeakPolarHBondContact O-CA 3.44Å; F582-T600 WeakPolarHBondContact O-CB 3.42Å; F582-F601 HydrophobicContact CD1-CB 4.04Å; F582-F601 AromaticContact CD1-CD1 3.81Å; F582-F601 HydrophobicContact CD1-CD1 3.81Å; F582-F601 HydrophobicContact CD1-CG 4.26Å; F582-F601 AromaticContact CE1-CD1 3.94Å; F582-F601 HydrophobicContact CE1-CD1 3.94Å; F582-F601 HydrophobicContact CE1-CE1 4.42Å; F582-F601 PolarHBondContact O-N 3.36Å; F582-F602 HydrophobicContact CB-CE2 4.24Å; F582-F602 HydrophobicContact CD1-CD2 4.49Å; F582-F602 AromaticContact CD1-CE1 3.96Å; F582-F602 HydrophobicContact CD1-CE1 3.96Å; F582-F602 AromaticContact CD1-CE2 3.56Å; F582-F602 HydrophobicContact CD1-CE2 3.56Å; F582-F602 AromaticContact CD1-CZ 3.23Å; F582-F602 HydrophobicContact CD1-CZ 3.23Å; F582-F602 AromaticContact CE1-CE1 3.96Å; F582-F602 HydrophobicContact CE1-CE1 3.96Å; F582-F602 HydrophobicContact CE1-CE2 4.16Å; F582-F602 AromaticContact CE1-CZ 3.38Å; F582-F602 HydrophobicContact CE1-CZ 3.38Å; F582-F602 HydrophobicContact CG-CE2 4.03Å; F582-F602 HydrophobicContact CG-CZ 4.09Å; F582-F602 HydrophobicContact CZ-CZ 4.32Å
583	V	94.4	Very high	92.7	Very high	20 Å²	20	68.7 Å²	68.7	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.4	-178.6	176.7	0	0	0	0	111.1	L464 Y579 L598 T600	L464-V583 HydrophobicContact CD2-CG2 3.53Å; Y579-V583 HydrophobicContact CD1-CB 4.16Å; Y579-V583 HydrophobicContact CD1-CG2 3.98Å; Y579-V583 HydrophobicContact CD2-CG2 4.38Å; Y579-V583 HydrophobicContact CE1-CB 3.81Å; Y579-V583 HydrophobicContact CE1-CG1 4Å; Y579-V583 HydrophobicContact CE1-CG2 3.57Å; Y579-V583 HydrophobicContact CE2-CG2 4Å; Y579-V583 HydrophobicContact CG-CG2 4.36Å; Y579-V583 PolarHBondContact O-N 2.82Å; V583-L598 HydrophobicContact CG1-CD1 3.89Å; V583-L598 HydrophobicContact CG1-CD2 3.73Å; V583-L598 HydrophobicContact CG1-CG 3.97Å; V583-T600 HydrophobicContact CG2-CG2 4.27Å
584	S	90.6	Very high	92.4	Very high	43 Å²	43	69.4 Å²	69.4	30%	0.301	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	172.5	172.4	72	0	0	0	0	111.2	E586 R599	S584-E586 VanDerWaalsContact C-N 3.29Å; S584-E586 PolarHBondContact O-N 2.86Å; S584-R599 PolarHBondContact N-O 2.99Å; S584-R599 WeakPolarHBondContact OG-CB 3.33Å; S584-R599 WeakPolarHBondContact OG-CG 3.49Å; S584-R599 PolarHBondContact OG-O 3.44Å
585	Q	88.6	Confident	92.2	Very high	197 Å²	197	69.4 Å²	69.4	92%	0.921	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	-9.6	-178.2	-60.4	-179.4	11.2	0	0	113.9	V587	Q585-V587 PolarHBondContact O-N 3.34Å
586	E	95.3	Very high	92.1	Very high	114 Å²	114	71 Å²	71	53%	0.533	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.1	-178	-69	177.5	-137.7	0	0	111.9	S584 R599 W604	S584-E586 VanDerWaalsContact C-N 3.29Å; S584-E586 PolarHBondContact O-N 2.86Å; E586-R599 HydrophobicContact CB-CB 3.72Å; E586-R599 HydrophobicContact CB-CG 4.34Å; E586-R599 WeakPolarHBondContact O-CB 3.39Å; E586-R599 PolarHBondContact O-N 2.86Å; E586-W604 HydrophobicContact CB-CH2 4.02Å
587	V	95.3	Very high	92.2	Very high	64 Å²	64	67.5 Å²	67.5	39%	0.388	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133	179.2	-165.3	0	0	0	0	110.1	Q585 H589 V596 A597 L598	Q585-V587 PolarHBondContact O-N 3.34Å; V587-H589 WeakPolarHBondContact CG1-CE1 3.28Å; V587-V596 HydrophobicContact CG1-CG1 3.26Å; V587-A597 CarbonylContact C-O 3.56Å; V587-A597 WeakPolarHBondContact CA-O 3.09Å; V587-L598 HydrophobicContact CG2-CD1 3.71Å
588	R	95.6	Very high	92.2	Very high	110 Å²	110	66 Å²	66	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.9	172.1	-62.9	-177.5	176	-157.4	-2.1	110	H553 L557 A597 W604	H553-R588 HydrophobicContact CB-CB 4.38Å; H553-R588 WeakPolarHBondContact O-CD 3.47Å; L557-R588 VanDerWaalsContact CD2-NH1 3.34Å; R588-A597 HydrophobicContact CB-CB 4.17Å; R588-A597 PolarHBondContact N-O 3Å; R588-A597 PolarHBondContact O-N 2.77Å; R588-W604 HydrophobicContact CB-CZ3 4.48Å; R588-W604 HydrophobicContact CG-CH2 3.89Å; R588-W604 HydrophobicContact CG-CZ3 3.83Å
589	H	92.3	Very high	92.2	Very high	132 Å²	132	68.2 Å²	68.2	61%	0.611	35%	0.349	S	S	*	.			trans	-92	138.9	177.9	-64.1	88	0	0	0	110.5	V587	V587-H589 WeakPolarHBondContact CG1-CE1 3.28Å
590	G	86.8	Confident	92.2	Very high	26 Å²	26	67.8 Å²	67.8	27%	0.268	35%	0.347	S	S	.	.			trans	-88.7	-166.9	162	0	0	0	0	0	110.9	H553 E594	H553-G590 VanDerWaalsContact CE1-CA 3.41Å; H553-G590 WeakPolarHBondContact CE1-CA 3.47Å; H553-G590 PolarHBondContact NE2-N 3.18Å; G590-E594 WeakPolarHBondContact CA-OE2 3.19Å
591	H	87.8	Confident	92.2	Very high	150 Å²	150	61.9 Å²	61.9	69%	0.694	33%	0.325	S	S	*	.	S	Bend	trans	-68	167.6	169.8	-58.1	87.1	0	0	0	111.2	G593 E594	H591-G593 PolarHBondContact O-N 3.37Å; H591-G593 VanDerWaalsContact O-N 3.09Å; H591-E594 HydrophobicContact CB-CG 4.21Å; H591-E594 IonicContact CG-OE2 2.64Å; H591-E594 PolarHBondContact N-OE2 3.28Å; H591-E594 IonicContact ND1-OE1 3.7Å; H591-E594 IonicContact ND1-OE2 3.98Å; H591-E594 PolarHBondContact ND1-OE2 3.09Å; H591-E594 WeakPolarHBondContact O-CB 3.49Å; H591-E594 PolarHBondContact O-N 2.99Å
592	A	83.8	Confident	92.2	Very high	108 Å²	108	58 Å²	58	89%	0.893	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	120.2	178.2	0	0	0	0	0	111.4
593	G	81.6	Confident	92.1	Very high	27 Å²	27	58.1 Å²	58.1	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	10.9	179.2	0	0	0	0	0	115.4	H591 S609 S611	H591-G593 PolarHBondContact O-N 3.37Å; H591-G593 VanDerWaalsContact O-N 3.09Å; G593-S609 CarbonylContact C-O 3.4Å; G593-S611 WeakPolarHBondContact CA-OG 3.41Å; G593-S611 WeakPolarHBondContact O-CB 3.37Å; G593-S611 PolarHBondContact O-N 2.69Å; G593-S611 PolarHBondContact O-OG 3.49Å
594	E	89	Confident	92.2	Very high	28 Å²	28	58 Å²	58	13%	0.131	31%	0.307	C	S	.	.	S	Bend	trans	-90.1	152.5	159.8	-59.5	-173.1	149.9	0	0	109.8	W551 H553 G590 H591 S609	W551-E594 VanDerWaalsContact CD1-CD 3.46Å; H553-E594 IonicContact CE1-OE2 2.69Å; G590-E594 WeakPolarHBondContact CA-OE2 3.19Å; H591-E594 HydrophobicContact CB-CG 4.21Å; H591-E594 IonicContact CG-OE2 2.64Å; H591-E594 PolarHBondContact N-OE2 3.28Å; H591-E594 IonicContact ND1-OE1 3.7Å; H591-E594 IonicContact ND1-OE2 3.98Å; H591-E594 PolarHBondContact ND1-OE2 3.09Å; H591-E594 WeakPolarHBondContact O-CB 3.49Å; H591-E594 PolarHBondContact O-N 2.99Å; E594-S609 CarbonylContact C-O 3.37Å; E594-S609 VanDerWaalsContact C-O 3.29Å
595	P	91.9	Very high	92.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.4	157.2	177.8	29.6	-36	0	0	0	111.7	L442 W551 H553 L554 V606 C607 M610	L442-P595 HydrophobicContact CD1-CB 4.33Å; W551-P595 HydrophobicContact CD2-CG 3.99Å; W551-P595 HydrophobicContact CE3-CG 3.83Å; W551-P595 HydrophobicContact CH2-CG 3.98Å; W551-P595 HydrophobicContact CZ2-CG 4.14Å; W551-P595 HydrophobicContact CZ3-CG 3.82Å; H553-P595 PolarHBondContact NE2-O 2.74Å; L554-P595 HydrophobicContact CD1-CG 4.06Å; P595-V606 HydrophobicContact CB-CG1 3.71Å; P595-V606 HydrophobicContact CG-CG1 4.11Å; P595-C607 CarbonylContact C-O 3.59Å; P595-C607 WeakPolarHBondContact CA-O 3.39Å; P595-M610 HydrophobicContact CB-CG 4.23Å; P595-M610 HydrophobicContact CG-CG 4.28Å
596	V	93.7	Very high	92.8	Very high	33 Å²	33	46.7 Å²	46.7	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.2	179.3	179.1	0	0	0	0	109.2	V587 V606 C607	V587-V596 HydrophobicContact CG1-CG1 3.26Å; V596-V606 WeakPolarHBondContact O-CA 3.29Å; V596-C607 PolarHBondContact N-O 3.19Å; V596-C607 PolarHBondContact O-N 2.91Å
597	A	96.1	Very high	92.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.8	166.9	0	0	0	0	0	110.3	L554 L557 V587 R588 W604 I605	L554-A597 HydrophobicContact CD2-CB 3.61Å; L557-A597 HydrophobicContact CD1-CB 3.58Å; V587-A597 CarbonylContact C-O 3.56Å; V587-A597 WeakPolarHBondContact CA-O 3.09Å; R588-A597 HydrophobicContact CB-CB 4.17Å; R588-A597 PolarHBondContact N-O 3Å; R588-A597 PolarHBondContact O-N 2.77Å; A597-W604 HydrophobicContact CB-CE3 3.7Å; A597-W604 HydrophobicContact CB-CZ3 4.23Å; A597-I605 CarbonylContact C-O 3.5Å; A597-I605 VanDerWaalsContact CA-O 3.28Å; A597-I605 WeakPolarHBondContact CA-O 3.38Å
598	L	96.1	Very high	92.3	Very high	16 Å²	16	40 Å²	40	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.1	176.8	175.2	61.7	0	0	0	108.7	V583 V587 W604 I605	V583-L598 HydrophobicContact CG1-CD1 3.89Å; V583-L598 HydrophobicContact CG1-CD2 3.73Å; V583-L598 HydrophobicContact CG1-CG 3.97Å; V587-L598 HydrophobicContact CG2-CD1 3.71Å; L598-W604 WeakPolarHBondContact O-CA 3.26Å; L598-I605 HydrophobicContact CB-CD1 4.27Å; L598-I605 HydrophobicContact CB-CG1 3.8Å; L598-I605 HydrophobicContact CD2-CD1 4.12Å; L598-I605 HydrophobicContact CG-CD1 4.43Å; L598-I605 HydrophobicContact CG-CG1 4.36Å; L598-I605 PolarHBondContact N-O 2.85Å; L598-I605 WeakPolarHBondContact O-CG1 3.48Å; L598-I605 PolarHBondContact O-N 3.21Å
599	R	96.6	Very high	91.6	Very high	90 Å²	90	36.9 Å²	36.9	34%	0.34	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.3	179.6	177.7	67.8	176.3	-172.8	-2	109.9	S584 E586 W604	S584-R599 PolarHBondContact N-O 2.99Å; S584-R599 WeakPolarHBondContact OG-CB 3.33Å; S584-R599 WeakPolarHBondContact OG-CG 3.49Å; S584-R599 PolarHBondContact OG-O 3.44Å; E586-R599 HydrophobicContact CB-CB 3.72Å; E586-R599 HydrophobicContact CB-CG 4.34Å; E586-R599 WeakPolarHBondContact O-CB 3.39Å; E586-R599 PolarHBondContact O-N 2.86Å; R599-W604 HydrophobicContact CB-CD2 4.15Å; R599-W604 HydrophobicContact CB-CE3 3.94Å; R599-W604 HydrophobicContact CB-CH2 3.79Å; R599-W604 HydrophobicContact CB-CZ2 4.01Å; R599-W604 HydrophobicContact CB-CZ3 3.76Å; R599-W604 HydrophobicContact CG-CZ2 4.33Å; R599-W604 VanDerWaalsContact NH1-CD1 3.35Å; R599-W604 VanDerWaalsContact NH1-NE1 3.12Å
600	T	95.8	Very high	91	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	168.2	176.8	76.3	0	0	0	0	110.8	L464 F582 V583 F602 G603 I605	L464-T600 HydrophobicContact CD2-CG2 4.37Å; F582-T600 CarbonylContact O-C 3.32Å; F582-T600 WeakPolarHBondContact O-CA 3.44Å; F582-T600 WeakPolarHBondContact O-CB 3.42Å; V583-T600 HydrophobicContact CG2-CG2 4.27Å; T600-F602 PolarHBondContact O-N 3.23Å; T600-F602 PolarHBondContact OG1-N 3.15Å; T600-G603 WeakPolarHBondContact CA-O 3.43Å; T600-G603 WeakPolarHBondContact CB-O 3.28Å; T600-G603 PolarHBondContact N-O 3.36Å; T600-G603 PolarHBondContact O-N 3.34Å; T600-G603 PolarHBondContact OG1-N 2.93Å; T600-G603 PolarHBondContact OG1-O 3.11Å; T600-I605 HydrophobicContact CG2-CB 4.41Å; T600-I605 HydrophobicContact CG2-CD1 3.83Å; T600-I605 HydrophobicContact CG2-CG1 3.82Å; T600-I605 HydrophobicContact CG2-CG2 3.84Å
601	F	94.5	Very high	90	Very high	42 Å²	42	33.1 Å²	33.1	18%	0.184	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.4	170.7	-179.3	-108.6	0	0	0	113.3	Q525 R527 F582	Q525-F601 HydrophobicContact CB-CE2 3.96Å; Q525-F601 HydrophobicContact CB-CZ 3.92Å; R527-F601 HydrophobicContact CG-CD1 4.48Å; R527-F601 HydrophobicContact CG-CE1 4.04Å; R527-F601 HydrophobicContact CG-CE2 4.3Å; R527-F601 HydrophobicContact CG-CZ 3.95Å; F582-F601 HydrophobicContact CD1-CB 4.04Å; F582-F601 AromaticContact CD1-CD1 3.81Å; F582-F601 HydrophobicContact CD1-CD1 3.81Å; F582-F601 HydrophobicContact CD1-CG 4.26Å; F582-F601 AromaticContact CE1-CD1 3.94Å; F582-F601 HydrophobicContact CE1-CD1 3.94Å; F582-F601 HydrophobicContact CE1-CE1 4.42Å; F582-F601 PolarHBondContact O-N 3.36Å
602	F	94.5	Very high	88.5	Confident	10 Å²	10	30.8 Å²	30.8	4%	0.044	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.8	178.7	-53.2	-56	0	0	0	113.8	A446 A448 L512 A560 I574 F582 T600	A446-F602 HydrophobicContact CB-CB 4.24Å; A446-F602 HydrophobicContact CB-CD2 3.77Å; A446-F602 HydrophobicContact CB-CG 4.31Å; A448-F602 HydrophobicContact CB-CD1 3.75Å; A448-F602 HydrophobicContact CB-CE1 3.48Å; A448-F602 VanDerWaalsContact CB-CE1 3.48Å; A448-F602 HydrophobicContact CB-CE2 4.5Å; A448-F602 HydrophobicContact CB-CG 4.38Å; A448-F602 HydrophobicContact CB-CZ 3.89Å; L512-F602 HydrophobicContact CB-CE1 3.93Å; L512-F602 HydrophobicContact CB-CZ 3.99Å; L512-F602 HydrophobicContact CD1-CZ 3.95Å; A560-F602 HydrophobicContact CB-CB 3.8Å; I574-F602 HydrophobicContact CD1-CE2 3.99Å; I574-F602 HydrophobicContact CD1-CZ 4.27Å; F582-F602 HydrophobicContact CB-CE2 4.24Å; F582-F602 HydrophobicContact CD1-CD2 4.49Å; F582-F602 AromaticContact CD1-CE1 3.96Å; F582-F602 HydrophobicContact CD1-CE1 3.96Å; F582-F602 AromaticContact CD1-CE2 3.56Å; F582-F602 HydrophobicContact CD1-CE2 3.56Å; F582-F602 AromaticContact CD1-CZ 3.23Å; F582-F602 HydrophobicContact CD1-CZ 3.23Å; F582-F602 AromaticContact CE1-CE1 3.96Å; F582-F602 HydrophobicContact CE1-CE1 3.96Å; F582-F602 HydrophobicContact CE1-CE2 4.16Å; F582-F602 AromaticContact CE1-CZ 3.38Å; F582-F602 HydrophobicContact CE1-CZ 3.38Å; F582-F602 HydrophobicContact CG-CE2 4.03Å; F582-F602 HydrophobicContact CG-CZ 4.09Å; F582-F602 HydrophobicContact CZ-CZ 4.32Å; T600-F602 PolarHBondContact O-N 3.23Å; T600-F602 PolarHBondContact OG1-N 3.15Å
603	G	94.4	Very high	87.1	Confident	6 Å²	6	27.5 Å²	27.5	6%	0.062	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.1	-167	-167.5	0	0	0	0	0	111.7	T600	T600-G603 WeakPolarHBondContact CA-O 3.43Å; T600-G603 WeakPolarHBondContact CB-O 3.28Å; T600-G603 PolarHBondContact N-O 3.36Å; T600-G603 PolarHBondContact O-N 3.34Å; T600-G603 PolarHBondContact OG1-N 2.93Å; T600-G603 PolarHBondContact OG1-O 3.11Å
604	W	96.4	Very high	85.5	Confident	16 Å²	16	33.5 Å²	33.5	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.1	176.8	-69	89.7	0	0	0	110.8	L557 K558 L559 A560 E586 R588 A597 L598 R599	L557-W604 HydrophobicContact CB-CB 4.06Å; L557-W604 HydrophobicContact CB-CG 3.95Å; L557-W604 HydrophobicContact CD1-CB 4.04Å; L557-W604 HydrophobicContact CD1-CD2 3.88Å; L557-W604 HydrophobicContact CD1-CE3 4.07Å; L557-W604 HydrophobicContact CD1-CG 3.88Å; L557-W604 HydrophobicContact CD2-CD2 3.95Å; L557-W604 HydrophobicContact CD2-CG 4.04Å; L557-W604 HydrophobicContact CD2-CZ2 4.3Å; L557-W604 HydrophobicContact CG-CD2 4.39Å; L557-W604 HydrophobicContact CG-CG 4.19Å; K558-W604 PolarHBondContact O-N 2.76Å; L559-W604 CarbonylContact C-O 3.54Å; L559-W604 VanDerWaalsContact CA-O 3.25Å; L559-W604 WeakPolarHBondContact CA-O 3.35Å; L559-W604 HydrophobicContact CD2-CB 4.14Å; A560-W604 PolarHBondContact N-O 2.68Å; E586-W604 HydrophobicContact CB-CH2 4.02Å; R588-W604 HydrophobicContact CB-CZ3 4.48Å; R588-W604 HydrophobicContact CG-CH2 3.89Å; R588-W604 HydrophobicContact CG-CZ3 3.83Å; A597-W604 HydrophobicContact CB-CE3 3.7Å; A597-W604 HydrophobicContact CB-CZ3 4.23Å; L598-W604 WeakPolarHBondContact O-CA 3.26Å; R599-W604 HydrophobicContact CB-CD2 4.15Å; R599-W604 HydrophobicContact CB-CE3 3.94Å; R599-W604 HydrophobicContact CB-CH2 3.79Å; R599-W604 HydrophobicContact CB-CZ2 4.01Å; R599-W604 HydrophobicContact CB-CZ3 3.76Å; R599-W604 HydrophobicContact CG-CZ2 4.33Å; R599-W604 VanDerWaalsContact NH1-CD1 3.35Å; R599-W604 VanDerWaalsContact NH1-NE1 3.12Å
605	I	95.9	Very high	83.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.4	168	65.2	174.6	0	0	0	109.4	Q444 T445 A446 A560 A597 L598 T600	Q444-I605 HydrophobicContact CB-CD1 3.61Å; Q444-I605 HydrophobicContact CG-CD1 3.73Å; T445-I605 WeakPolarHBondContact O-CG2 3.41Å; A446-I605 HydrophobicContact CB-CG2 3.99Å; A560-I605 HydrophobicContact CB-CG2 3.82Å; A597-I605 CarbonylContact C-O 3.5Å; A597-I605 VanDerWaalsContact CA-O 3.28Å; A597-I605 WeakPolarHBondContact CA-O 3.38Å; L598-I605 HydrophobicContact CB-CD1 4.27Å; L598-I605 HydrophobicContact CB-CG1 3.8Å; L598-I605 HydrophobicContact CD2-CD1 4.12Å; L598-I605 HydrophobicContact CG-CD1 4.43Å; L598-I605 HydrophobicContact CG-CG1 4.36Å; L598-I605 PolarHBondContact N-O 2.85Å; L598-I605 WeakPolarHBondContact O-CG1 3.48Å; L598-I605 PolarHBondContact O-N 3.21Å; T600-I605 HydrophobicContact CG2-CB 4.41Å; T600-I605 HydrophobicContact CG2-CD1 3.83Å; T600-I605 HydrophobicContact CG2-CG1 3.82Å; T600-I605 HydrophobicContact CG2-CG2 3.84Å
606	V	94.7	Very high	81.7	Confident	3 Å²	3	42 Å²	42	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.7	177	-177.4	0	0	0	0	108.5	L442 L547 L554 L559 F563 P595 V596	L442-V606 HydrophobicContact CD1-CG1 3.91Å; L547-V606 HydrophobicContact CD1-CG2 4.32Å; L547-V606 HydrophobicContact CD2-CG1 4.19Å; L554-V606 HydrophobicContact CD1-CG1 4.01Å; L554-V606 HydrophobicContact CD1-CG2 4.44Å; L554-V606 HydrophobicContact CD2-CG1 4.49Å; L554-V606 HydrophobicContact CD2-CG2 4.3Å; L559-V606 HydrophobicContact CD2-CG2 3.86Å; F563-V606 HydrophobicContact CE1-CB 4.41Å; F563-V606 HydrophobicContact CE2-CB 4.22Å; F563-V606 HydrophobicContact CE2-CG2 4.32Å; F563-V606 HydrophobicContact CZ-CB 3.77Å; F563-V606 HydrophobicContact CZ-CG2 4.34Å; P595-V606 HydrophobicContact CB-CG1 3.71Å; P595-V606 HydrophobicContact CG-CG1 4.11Å; V596-V606 WeakPolarHBondContact O-CA 3.29Å
607	C	92.1	Very high	79.5	Confident	14 Å²	14	51.2 Å²	51.2	10%	0.095	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	174.6	-173.3	62.7	0	0	0	0	111.9	L442 Q444 P595 V596	L442-C607 CarbonylContact O-C 3.41Å; L442-C607 WeakPolarHBondContact O-CA 3.32Å; Q444-C607 HydrophobicContact CG-CB 3.65Å; P595-C607 CarbonylContact C-O 3.59Å; P595-C607 WeakPolarHBondContact CA-O 3.39Å; V596-C607 PolarHBondContact N-O 3.19Å; V596-C607 PolarHBondContact O-N 2.91Å
608	G	88	Confident	77.3	Confident	25 Å²	25	56.5 Å²	56.5	26%	0.258	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-174.7	175.7	0	0	0	0	0	114.4	V441 L442	V441-G608 WeakPolarHBondContact CA-O 3.39Å; L442-G608 PolarHBondContact N-O 2.95Å; L442-G608 PolarHBondContact O-N 3.37Å
609	S	82.5	Confident	75.1	Confident	44 Å²	44	60.8 Å²	60.8	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.8	-173.6	-166.9	0	0	0	0	111.9	G593 E594	G593-S609 CarbonylContact C-O 3.4Å; E594-S609 CarbonylContact C-O 3.37Å; E594-S609 VanDerWaalsContact C-O 3.29Å
610	M	78.1	Confident	73.1	Confident	3 Å²	3	63 Å²	63	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.7	166.3	-58	-177.9	-61.8	0	0	107.8	G439 R440 L442 P545 W551 P595 E612	G439-M610 CarbonylContact C-O 3.51Å; G439-M610 WeakPolarHBondContact CA-O 2.95Å; R440-M610 HydrophobicContact CB-CE 3.85Å; R440-M610 HydrophobicContact CG-CE 3.82Å; R440-M610 PolarHBondContact N-O 2.82Å; R440-M610 WeakPolarHBondContact O-CA 3.39Å; R440-M610 WeakPolarHBondContact O-CB 3.18Å; R440-M610 PolarHBondContact O-N 3.09Å; L442-M610 HydrophobicContact CD1-CE 4.18Å; L442-M610 HydrophobicContact CD1-CG 4.29Å; L442-M610 HydrophobicContact CD1-SD 3.58Å; L442-M610 VanDerWaalsContact CD1-SD 3.58Å; L442-M610 HydrophobicContact CD2-CE 3.7Å; L442-M610 HydrophobicContact CD2-SD 4.22Å; L442-M610 HydrophobicContact CG-CE 3.69Å; L442-M610 HydrophobicContact CG-CG 4.31Å; L442-M610 HydrophobicContact CG-SD 3.75Å; P545-M610 HydrophobicContact CG-CE 3.95Å; P545-M610 HydrophobicContact CG-SD 4.06Å; W551-M610 HydrophobicContact CH2-CG 4.22Å; W551-M610 HydrophobicContact CH2-SD 3.79Å; W551-M610 HydrophobicContact CZ3-SD 4.44Å; P595-M610 HydrophobicContact CB-CG 4.23Å; P595-M610 HydrophobicContact CG-CG 4.28Å; M610-E612 PolarHBondContact O-N 3.27Å
611	S	66	Low	71	Confident	75 Å²	75	66.3 Å²	66.3	52%	0.524	35%	0.351	S	S	.	.	S	Bend	trans	-60.7	-25.6	178.5	-56.7	0	0	0	0	112.6	G593	G593-S611 WeakPolarHBondContact CA-OG 3.41Å; G593-S611 WeakPolarHBondContact O-CB 3.37Å; G593-S611 PolarHBondContact O-N 2.69Å; G593-S611 PolarHBondContact O-OG 3.49Å
612	E	56.5	Low	69.2	Low	101 Å²	101	67.2 Å²	67.2	47%	0.472	36%	0.357	S	S	.	.			trans	-98.5	101.2	177.1	-79.3	174.6	-151.4	0	0	111.2	Q548 R550 M610	Q548-E612 PolarHBondContact NE2-OE2 2.93Å; Q548-E612 PolarHBondContact OE1-OE2 2.99Å; R550-E612 IonicContact CZ-OE1 3.43Å; R550-E612 IonicContact CZ-OE2 3.47Å; R550-E612 IonicContact NH1-OE1 2.6Å; R550-E612 PolarHBondContact NH1-OE1 3.23Å; R550-E612 IonicContact NH1-OE2 3.36Å; R550-E612 IonicContact NH2-OE1 3.68Å; R550-E612 PolarHBondContact NH2-OE1 3.31Å; R550-E612 IonicContact NH2-OE2 2.82Å; R550-E612 PolarHBondContact NH2-OE2 2.83Å; M610-E612 PolarHBondContact O-N 3.27Å
613	G	53.9	Low	67.2	Low	39 Å²	39	70.5 Å²	70.5	40%	0.402	37%	0.372	S	S	.	.	S	Bend	trans	-169.7	150.4	170	0	0	0	0	0	108.1	K615	G613-K615 PolarHBondContact O-N 2.81Å
614	N	47.9	Very low	64.8	Low	154 Å²	154	72 Å²	72	82%	0.824	39%	0.385	S	S	*	.			trans	-50.1	129.5	170.6	-82.5	-17.5	0	0	0	108.6	V616	N614-V616 WeakPolarHBondContact O-CG2 3.48Å; N614-V616 PolarHBondContact O-N 3.16Å
615	K	50.7	Low	62.3	Low	164 Å²	164	78.6 Å²	78.6	71%	0.713	42%	0.416	S	S	*	.			trans	-42.9	110.8	177.3	-68.2	-178.5	179	-176.9	0	108.9	P436 G613 R617	P436-K615 HydrophobicContact CB-CB 4.11Å; P436-K615 HydrophobicContact CG-CB 4.24Å; P436-K615 HydrophobicContact CG-CD 3.89Å; G613-K615 PolarHBondContact O-N 2.81Å; K615-R617 PolarHBondContact O-N 2.79Å
616	V	51.9	Low	59.9	Low	42 Å²	42	80.8 Å²	80.8	26%	0.255	43%	0.429	S	S	.	.			trans	-78.5	116.5	-177.1	-170.3	0	0	0	0	106.4	R440 N614 N618	R440-V616 HydrophobicContact CB-CG2 4.29Å; N614-V616 WeakPolarHBondContact O-CG2 3.48Å; N614-V616 PolarHBondContact O-N 3.16Å; V616-N618 WeakPolarHBondContact CG1-O 3.23Å; V616-N618 PolarHBondContact O-N 2.87Å
617	R	47	Very low	57.7	Low	226 Å²	226	89.2 Å²	89.2	85%	0.853	47%	0.466	S	S	*	.	S	Bend	trans	-72	-11.3	177.9	-75.7	-176.6	172.4	179.3	-4	113.3	K615	K615-R617 PolarHBondContact O-N 2.79Å
618	N	49.4	Very low	55.6	Low	111 Å²	111	95.2 Å²	95.2	59%	0.594	49%	0.493	S	S	*	.			trans	-118.9	114.7	-173.5	-61.1	-9.7	0	0	0	110.2	V616 R620	V616-N618 WeakPolarHBondContact CG1-O 3.23Å; V616-N618 PolarHBondContact O-N 2.87Å; N618-R620 PolarHBondContact O-N 2.92Å
619	V	51.1	Low	54	Low	107 Å²	107	97.5 Å²	97.5	65%	0.648	50%	0.499	S	S	*	.			trans	-71.7	122.9	163.1	-179.6	0	0	0	0	107.1
620	R	53.6	Low	52.5	Low	135 Å²	135	99.5 Å²	99.5	51%	0.509	51%	0.511	S	S	.	.			trans	-103.9	110.1	171.4	-72.1	-171.1	179.6	-163.7	-0.3	108.3	S540 N618	S540-R620 PolarHBondContact O-NH1 3.29Å; S540-R620 VanDerWaalsContact O-NH1 3.08Å; N618-R620 PolarHBondContact O-N 2.92Å
621	S	52.9	Low	51.5	Low	75 Å²	75	104.2 Å²	104.2	52%	0.524	54%	0.536	S	S	.	.			trans	-85.1	132.2	156.1	-165.3	0	0	0	0	107.1	L495 H623	L495-S621 WeakPolarHBondContact CD1-OG 3.33Å; S621-H623 PolarHBondContact O-N 3.25Å; S621-H623 VanDerWaalsContact O-N 3.09Å
622	L	55.6	Low	51.1	Low	62 Å²	62	104.6 Å²	104.6	33%	0.325	53%	0.529	S	S	.	.			trans	-65.5	110.4	157.6	-72.1	163.5	0	0	0	105.2	L443 L463 C538	L443-L622 HydrophobicContact CD1-CD1 3.91Å; L443-L622 HydrophobicContact CD1-CD2 4.43Å; L443-L622 HydrophobicContact CD1-CG 4.33Å; L443-L622 HydrophobicContact CD2-CD1 4.1Å; L463-L622 HydrophobicContact CD2-CD1 3.73Å; L463-L622 HydrophobicContact CD2-CD2 4.34Å; C538-L622 HydrophobicContact CB-CD2 3.77Å
623	H	51.8	Low	51.3	Low	78 Å²	78	103.5 Å²	103.5	36%	0.361	53%	0.526	S	S	.	.			trans	-128.2	129.9	178.6	176.4	101.6	0	0	0	105.6	T494 S621 Q625	T494-H623 WeakPolarHBondContact CB-CE1 3.41Å; T494-H623 WeakPolarHBondContact CB-NE2 3.42Å; T494-H623 PolarHBondContact OG1-CE1 3.09Å; S621-H623 PolarHBondContact O-N 3.25Å; S621-H623 VanDerWaalsContact O-N 3.09Å; H623-Q625 VanDerWaalsContact C-N 3.32Å; H623-Q625 PolarHBondContact O-N 3.33Å
624	A	45	Very low	51.6	Low	39 Å²	39	104.8 Å²	104.8	32%	0.322	52%	0.523	S	S	.	.			trans	-68.5	93.6	173.5	0	0	0	0	0	108.2	I492 T494	I492-A624 HydrophobicContact CG2-CB 3.64Å; T494-A624 HydrophobicContact CG2-CB 4.4Å; T494-A624 WeakPolarHBondContact CG2-O 3.48Å
625	Q	43.6	Very low	52.4	Low	153 Å²	153	106.6 Å²	106.6	72%	0.715	52%	0.519	S	S	*	.			trans	-93.4	104.2	169.8	-170	-178.4	3.6	0	0	107.9	H623	H623-Q625 VanDerWaalsContact C-N 3.32Å; H623-Q625 PolarHBondContact O-N 3.33Å
626	V	46.1	Very low	52.9	Low	47 Å²	47	104.1 Å²	104.1	29%	0.285	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-92	119.2	170.7	174.2	0	0	0	0	108.7	F501	F501-V626 HydrophobicContact CD1-CB 4.26Å; F501-V626 HydrophobicContact CD2-CG1 4.38Å; F501-V626 HydrophobicContact CE1-CB 3.56Å; F501-V626 HydrophobicContact CE1-CG1 4.33Å; F501-V626 HydrophobicContact CE1-CG2 3.52Å; F501-V626 HydrophobicContact CE2-CB 3.99Å; F501-V626 HydrophobicContact CE2-CG1 3.91Å; F501-V626 HydrophobicContact CE2-CG2 3.79Å; F501-V626 HydrophobicContact CZ-CB 3.42Å; F501-V626 VanDerWaalsContact CZ-CB 3.42Å; F501-V626 HydrophobicContact CZ-CG1 3.89Å; F501-V626 HydrophobicContact CZ-CG2 3.01Å
627	K	47.7	Very low	53.3	Low	179 Å²	179	106.9 Å²	106.9	78%	0.778	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-76.1	120.4	164.9	-72.6	-174	173.7	-170.5	0	106.4	D629	K627-D629 PolarHBondContact O-N 2.87Å
628	E	49.3	Very low	54	Low	141 Å²	141	102 Å²	102	66%	0.659	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-58.7	127	164.9	-65.5	173	154.9	0	0	107.8	P630 I633	E628-P630 WeakPolarHBondContact O-CD 3.36Å; E628-I633 HydrophobicContact CB-CD1 3.77Å; E628-I633 HydrophobicContact CB-CG1 4.26Å; E628-I633 HydrophobicContact CG-CD1 4.18Å; E628-I633 WeakPolarHBondContact OE2-CD1 3.37Å
629	D	53.3	Low	54.6	Low	73 Å²	73	99.7 Å²	99.7	39%	0.39	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-73.3	118.6	160.6	-179.5	-1.5	0	0	0	105.8	K627 N631 E632 I633	K627-D629 PolarHBondContact O-N 2.87Å; D629-N631 PolarHBondContact O-N 2.79Å; D629-N631 WeakPolarHBondContact OD1-CB 3.21Å; D629-N631 PolarHBondContact OD1-N 2.96Å; D629-N631 PolarHBondContact OD1-ND2 2.84Å; D629-E632 HydrophobicContact CB-CB 4.12Å; D629-E632 HydrophobicContact CB-CG 4.27Å; D629-E632 WeakPolarHBondContact O-CA 3.27Å; D629-E632 PolarHBondContact O-N 2.96Å; D629-I633 PolarHBondContact O-N 2.67Å
630	P	51.8	Low	54.8	Low	85 Å²	85	99.4 Å²	99.4	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-51.8	-30	175	-24.7	33.9	0	0	0	111.8	E628 I633 L634	E628-P630 WeakPolarHBondContact O-CD 3.36Å; P630-I633 PolarHBondContact O-N 2.81Å; P630-L634 WeakPolarHBondContact O-CB 3.42Å; P630-L634 VanDerWaalsContact O-CG 3.25Å; P630-L634 WeakPolarHBondContact O-CG 3.35Å; P630-L634 PolarHBondContact O-N 3.08Å
631	N	57.3	Low	55	Low	102 Å²	102	98.1 Å²	98.1	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-73	-28.7	175.8	-59	-51.8	0	0	0	113.5	D629 R635	D629-N631 PolarHBondContact O-N 2.79Å; D629-N631 WeakPolarHBondContact OD1-CB 3.21Å; D629-N631 PolarHBondContact OD1-N 2.96Å; D629-N631 PolarHBondContact OD1-ND2 2.84Å; N631-R635 VanDerWaalsContact O-CB 3.25Å; N631-R635 WeakPolarHBondContact O-CB 3.44Å; N631-R635 WeakPolarHBondContact O-CG 3.4Å; N631-R635 PolarHBondContact O-N 2.72Å
632	E	57.7	Low	55.1	Low	83 Å²	83	97.9 Å²	97.9	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-71	-37.7	172.2	-89.9	-168.5	151.5	0	0	111.1	D629 R635 K636	D629-E632 HydrophobicContact CB-CB 4.12Å; D629-E632 HydrophobicContact CB-CG 4.27Å; D629-E632 WeakPolarHBondContact O-CA 3.27Å; D629-E632 PolarHBondContact O-N 2.96Å; E632-R635 PolarHBondContact O-N 3.36Å; E632-K636 WeakPolarHBondContact O-CB 3.45Å; E632-K636 WeakPolarHBondContact O-CG 3.31Å; E632-K636 PolarHBondContact O-N 2.92Å
633	I	58.7	Low	55.1	Low	79 Å²	79	100 Å²	100	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-48.5	173	-61.6	173.5	0	0	0	109.7	E628 D629 P630 R635 K636 L637	E628-I633 HydrophobicContact CB-CD1 3.77Å; E628-I633 HydrophobicContact CB-CG1 4.26Å; E628-I633 HydrophobicContact CG-CD1 4.18Å; E628-I633 WeakPolarHBondContact OE2-CD1 3.37Å; D629-I633 PolarHBondContact O-N 2.67Å; P630-I633 PolarHBondContact O-N 2.81Å; I633-R635 VanDerWaalsContact C-N 3.31Å; I633-R635 PolarHBondContact O-N 3.46Å; I633-K636 PolarHBondContact O-N 3.02Å; I633-L637 WeakPolarHBondContact O-CB 3.47Å; I633-L637 PolarHBondContact O-N 3.1Å
634	L	60.7	Low	55.1	Low	66 Å²	66	99.3 Å²	99.3	35%	0.346	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-36.6	177.9	-71	170.3	0	0	0	112.3	P630 L637 W638	P630-L634 WeakPolarHBondContact O-CB 3.42Å; P630-L634 VanDerWaalsContact O-CG 3.25Å; P630-L634 WeakPolarHBondContact O-CG 3.35Å; P630-L634 PolarHBondContact O-N 3.08Å; L634-L637 PolarHBondContact O-N 2.96Å; L634-W638 HydrophobicContact CB-CH2 3.9Å; L634-W638 HydrophobicContact CB-CZ2 4.32Å; L634-W638 HydrophobicContact CB-CZ3 4Å; L634-W638 HydrophobicContact CD1-CH2 4.39Å; L634-W638 HydrophobicContact CD2-CH2 3.9Å; L634-W638 HydrophobicContact CD2-CZ2 3.83Å; L634-W638 HydrophobicContact CG-CH2 4.28Å; L634-W638 VanDerWaalsContact O-CD2 3.28Å; L634-W638 PolarHBondContact O-N 3.37Å
635	R	64.3	Low	55.7	Low	192 Å²	192	102.2 Å²	102.2	73%	0.725	52%	0.521	S	S	*	.	H	α-helix	trans	-66.7	-45.1	173	-86.2	178.1	156.2	-177.2	-6	112.3	N631 E632 I633 L637 W638 D639	N631-R635 VanDerWaalsContact O-CB 3.25Å; N631-R635 WeakPolarHBondContact O-CB 3.44Å; N631-R635 WeakPolarHBondContact O-CG 3.4Å; N631-R635 PolarHBondContact O-N 2.72Å; E632-R635 PolarHBondContact O-N 3.36Å; I633-R635 VanDerWaalsContact C-N 3.31Å; I633-R635 PolarHBondContact O-N 3.46Å; R635-L637 PolarHBondContact O-N 3.05Å; R635-W638 CarbonylContact O-C 3.54Å; R635-W638 PolarHBondContact O-N 3.45Å; R635-D639 PolarHBondContact O-N 2.98Å
636	K	61	Low	56.4	Low	111 Å²	111	103 Å²	103	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-33.5	174.2	-79.6	-177.6	175.2	-176.8	0	111.9	C502 E632 I633 W638 A642	C502-K636 PolarHBondContact O-NZ 2.8Å; E632-K636 WeakPolarHBondContact O-CB 3.45Å; E632-K636 WeakPolarHBondContact O-CG 3.31Å; E632-K636 PolarHBondContact O-N 2.92Å; I633-K636 PolarHBondContact O-N 3.02Å; K636-W638 VanDerWaalsContact C-N 3.27Å; K636-W638 PolarHBondContact O-N 3.48Å; K636-A642 VanDerWaalsContact O-CB 3.29Å; K636-A642 WeakPolarHBondContact O-CB 3.21Å
637	L	61.8	Low	57.1	Low	101 Å²	101	107.1 Å²	107.1	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-70.1	-21	174.5	-164.8	73.5	0	0	0	112.9	I633 L634 R635	I633-L637 WeakPolarHBondContact O-CB 3.47Å; I633-L637 PolarHBondContact O-N 3.1Å; L634-L637 PolarHBondContact O-N 2.96Å; R635-L637 PolarHBondContact O-N 3.05Å
638	W	61.9	Low	57.6	Low	124 Å²	124	101.9 Å²	101.9	47%	0.47	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	6.3	177.8	-62.3	-34.1	0	0	0	114.6	R216 L634 R635 K636 L640	R216-W638 VanDerWaalsContact NH1-NE1 3.16Å; L634-W638 HydrophobicContact CB-CH2 3.9Å; L634-W638 HydrophobicContact CB-CZ2 4.32Å; L634-W638 HydrophobicContact CB-CZ3 4Å; L634-W638 HydrophobicContact CD1-CH2 4.39Å; L634-W638 HydrophobicContact CD2-CH2 3.9Å; L634-W638 HydrophobicContact CD2-CZ2 3.83Å; L634-W638 HydrophobicContact CG-CH2 4.28Å; L634-W638 VanDerWaalsContact O-CD2 3.28Å; L634-W638 PolarHBondContact O-N 3.37Å; R635-W638 CarbonylContact O-C 3.54Å; R635-W638 PolarHBondContact O-N 3.45Å; K636-W638 VanDerWaalsContact C-N 3.27Å; K636-W638 PolarHBondContact O-N 3.48Å; W638-L640 PolarHBondContact O-N 2.95Å
639	D	61.1	Low	58	Low	61 Å²	61	103.5 Å²	103.5	33%	0.326	54%	0.535	S	S	.	.			trans	-73.7	116.5	172.2	-144.3	-21	0	0	0	107.3	R635 E641 A642 L643	R635-D639 PolarHBondContact O-N 2.98Å; D639-E641 PolarHBondContact O-N 2.67Å; D639-A642 HydrophobicContact CB-CB 4.04Å; D639-A642 WeakPolarHBondContact O-CA 3.29Å; D639-A642 WeakPolarHBondContact O-CB 3.36Å; D639-A642 PolarHBondContact O-N 3.14Å; D639-L643 PolarHBondContact O-N 3.12Å
640	L	54.7	Low	58	Low	102 Å²	102	105.9 Å²	105.9	53%	0.534	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.7	-176.5	-72.6	170.6	0	0	0	111	W638 A642 L643 G644 I645	W638-L640 PolarHBondContact O-N 2.95Å; L640-A642 VanDerWaalsContact C-N 3.32Å; L640-A642 PolarHBondContact O-N 2.94Å; L640-L643 CarbonylContact O-C 3.29Å; L640-L643 PolarHBondContact O-N 3.33Å; L640-G644 PolarHBondContact O-N 3.36Å; L640-I645 CarbonylContact C-O 3.51Å; L640-I645 HydrophobicContact CB-CB 4.26Å; L640-I645 HydrophobicContact CD2-CB 4.41Å; L640-I645 HydrophobicContact CD2-CD1 3.91Å; L640-I645 PolarHBondContact O-N 3.46Å
641	E	58.2	Low	58	Low	108 Å²	108	105.2 Å²	105.2	51%	0.505	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35	174.2	-66.9	-178.9	-178.3	0	0	113	D639 L643 G644	D639-E641 PolarHBondContact O-N 2.67Å; E641-L643 VanDerWaalsContact C-N 3.33Å; E641-G644 PolarHBondContact O-N 3.15Å
642	A	55	Low	57.6	Low	70 Å²	70	110.9 Å²	110.9	58%	0.579	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-21.3	177.3	0	0	0	0	0	112.6	K636 D639 L640 G644	K636-A642 VanDerWaalsContact O-CB 3.29Å; K636-A642 WeakPolarHBondContact O-CB 3.21Å; D639-A642 HydrophobicContact CB-CB 4.04Å; D639-A642 WeakPolarHBondContact O-CA 3.29Å; D639-A642 WeakPolarHBondContact O-CB 3.36Å; D639-A642 PolarHBondContact O-N 3.14Å; L640-A642 VanDerWaalsContact C-N 3.32Å; L640-A642 PolarHBondContact O-N 2.94Å; A642-G644 VanDerWaalsContact C-N 3.31Å
643	L	56.6	Low	56.8	Low	105 Å²	105	120.8 Å²	120.8	55%	0.55	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	2.5	172.3	-64.7	170.4	0	0	0	112.9	D639 L640 E641 I645	D639-L643 PolarHBondContact O-N 3.12Å; L640-L643 CarbonylContact O-C 3.29Å; L640-L643 PolarHBondContact O-N 3.33Å; E641-L643 VanDerWaalsContact C-N 3.33Å; L643-I645 VanDerWaalsContact C-N 3.33Å; L643-I645 HydrophobicContact CB-CD1 4.46Å
644	G	50.9	Low	56.7	Low	64 Å²	64	122.9 Å²	122.9	66%	0.66	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.1	13.6	-179.3	0	0	0	0	0	114.5	L640 E641 A642	L640-G644 PolarHBondContact O-N 3.36Å; E641-G644 PolarHBondContact O-N 3.15Å; A642-G644 VanDerWaalsContact C-N 3.31Å
645	I	57.7	Low	56.5	Low	101 Å²	101	125.9 Å²	125.9	52%	0.518	62%	0.616	S	S	.	*			trans	-96.3	104.3	177.3	-56.8	171.7	0	0	0	107.4	L640 L643	L640-I645 CarbonylContact C-O 3.51Å; L640-I645 HydrophobicContact CB-CB 4.26Å; L640-I645 HydrophobicContact CD2-CB 4.41Å; L640-I645 HydrophobicContact CD2-CD1 3.91Å; L640-I645 PolarHBondContact O-N 3.46Å; L643-I645 VanDerWaalsContact C-N 3.33Å; L643-I645 HydrophobicContact CB-CD1 4.46Å
646	R	58	Low	56	Low	169 Å²	169	122.2 Å²	122.2	64%	0.638	61%	0.61	S	S	*	*			trans	-114.3	148.8	173.5	-64.1	-175.6	-176.7	178.3	0.7	109.8
647	D	60.7	Low	55.7	Low	133 Å²	133	122.9 Å²	122.9	71%	0.711	62%	0.618	S	S	*	*			trans	-63.8	142.8	173.5	-111.4	-38.4	0	0	0	110.9	E649 E650 A651	D647-E649 PolarHBondContact O-N 2.96Å; D647-E650 PolarHBondContact O-N 3.3Å; D647-A651 PolarHBondContact O-N 3.37Å
648	A	59	Low	55.3	Low	69 Å²	69	124.3 Å²	124.3	57%	0.57	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	-170	0	0	0	0	0	114.4
649	E	58.6	Low	54.9	Low	175 Å²	175	124.3 Å²	124.3	82%	0.818	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-27.9	174.7	-77.9	-172.8	144.5	0	0	113.5	D647	D647-E649 PolarHBondContact O-N 2.96Å
650	E	52.6	Low	54.5	Low	124 Å²	124	128.8 Å²	128.8	58%	0.579	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-86.1	-19.6	179.9	-74.2	-171.9	154	0	0	113.2	D647 R652	D647-E650 PolarHBondContact O-N 3.3Å; E650-R652 PolarHBondContact O-N 2.69Å
651	A	51.4	Low	54.5	Low	70 Å²	70	130.8 Å²	130.8	58%	0.579	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-75.8	-5.5	175	0	0	0	0	0	114	D647	D647-A651 PolarHBondContact O-N 3.37Å
652	R	48.8	Very low	54.1	Low	221 Å²	221	132.8 Å²	132.8	83%	0.834	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-106.8	2.8	-178.2	-64.3	-174.1	-167.6	178.5	3.7	114.6	E650	E650-R652 PolarHBondContact O-N 2.69Å
653	R	40.5	Very low	54.1	Low	292 Å²	292	138.5 Å²	138.5	100%	1.102	69%	0.687	S	S	*	*			trans	-106	0	169.6	-74.2	-176.2	177.4	173.7	1.5	109.6

Retrieved 653 of 653 residues in 257.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).