A0A077ZHW2_TRITR Loading...

DNA-directed primase/polymerase protein

AlphaFold DB , UniProt , Accession A0A077ZHW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	40.3	Very low	236 Å²	236	124 Å²	124	100%	1.163	77%	0.769	S	S	*	*				0	105.4	0	-76.8	177.7	-175.9	0	0	107.8
2	V	34.2	Very low	40.5	Very low	146 Å²	146	129.2 Å²	129.2	89%	0.885	77%	0.765	S	S	*	*			trans	-90.4	112.5	-178.1	179.7	0	0	0	0	107.5	G4	V2-G4 PolarHBondContact O-N 3.1Å
3	I	39.8	Very low	40.7	Very low	166 Å²	166	124.5 Å²	124.5	85%	0.851	76%	0.761	S	S	*	*			trans	-75.8	105.4	174.6	-58.3	174.9	0	0	0	106.6	G5	I3-G5 PolarHBondContact O-N 3.29Å
4	G	38.4	Very low	41.4	Very low	60 Å²	60	124.1 Å²	124.1	62%	0.619	77%	0.766	S	S	*	*			trans	-61	125.9	177.6	0	0	0	0	0	111.2	V2 I6	V2-G4 PolarHBondContact O-N 3.1Å; G4-I6 PolarHBondContact O-N 3.09Å
5	G	37.7	Very low	41.8	Very low	80 Å²	80	126.3 Å²	126.3	83%	0.825	77%	0.771	S	S	*	*			trans	-63	125.3	177.8	0	0	0	0	0	111.5	I3 G7	I3-G5 PolarHBondContact O-N 3.29Å; G5-G7 PolarHBondContact O-N 3.14Å
6	I	38.6	Very low	42.2	Very low	153 Å²	153	124.8 Å²	124.8	79%	0.785	77%	0.767	S	S	*	*			trans	-66.3	109.6	172.8	-62.5	165.3	0	0	0	107.6	G4 V10	G4-I6 PolarHBondContact O-N 3.09Å; I6-V10 HydrophobicContact CG2-CB 4.44Å
7	G	39.3	Very low	43	Very low	39 Å²	39	126.1 Å²	126.1	40%	0.402	78%	0.775	S	S	.	*			trans	-64.8	140.9	174.6	0	0	0	0	0	111.7	G5 S9 V10	G5-G7 PolarHBondContact O-N 3.14Å; G7-S9 PolarHBondContact O-N 2.87Å; G7-V10 PolarHBondContact O-N 3.02Å; G7-V10 VanDerWaalsContact O-N 3.14Å
8	A	43.4	Very low	43.6	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-8.1	179.9	0	0	0	0	0	114.8	V10	A8-V10 VanDerWaalsContact C-N 3.3Å; A8-V10 PolarHBondContact O-N 3.1Å
9	S	45	Very low	44.5	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-9	175.5	59.8	0	0	0	0	114.5	G7	G7-S9 PolarHBondContact O-N 2.87Å
10	V	48.7	Very low	45.5	Very low	116 Å²	116	128.5 Å²	128.5	70%	0.703	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-22.2	178.9	-175.9	0	0	0	0	112.1	I6 G7 A8	I6-V10 HydrophobicContact CG2-CB 4.44Å; G7-V10 PolarHBondContact O-N 3.02Å; G7-V10 VanDerWaalsContact O-N 3.14Å; A8-V10 VanDerWaalsContact C-N 3.3Å; A8-V10 PolarHBondContact O-N 3.1Å
11	F	40.3	Very low	47.1	Very low	177 Å²	177	125.2 Å²	125.2	78%	0.776	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-27.8	-173.7	-150.4	-92.6	0	0	0	114.1
12	Y	43.4	Very low	49.1	Very low	186 Å²	186	118.8 Å²	118.8	73%	0.729	72%	0.719	S	S	*	*	S	Bend	trans	-114	105.9	175	-65.7	-82.1	0	0	0	108.2
13	G	43	Very low	51.2	Low	69 Å²	69	117.7 Å²	117.7	71%	0.711	71%	0.707	S	S	*	*			trans	-48.8	151.6	-178.2	0	0	0	0	0	113.8	N15	G13-N15 PolarHBondContact O-N 3.37Å
14	S	49.8	Very low	52.9	Low	118 Å²	118	114.6 Å²	114.6	83%	0.825	69%	0.69	S	S	*	*	S	Bend	trans	-33.5	127.6	178.9	51.9	0	0	0	0	114	S16	S14-S16 PolarHBondContact O-N 3.13Å
15	N	47.3	Very low	54.8	Low	158 Å²	158	117.7 Å²	117.7	85%	0.845	68%	0.683	S	S	*	*			trans	-5.9	102.6	170.1	-74.7	-27.2	0	0	0	114.4	G13 T17	G13-N15 PolarHBondContact O-N 3.37Å; N15-T17 PolarHBondContact O-N 3.19Å
16	S	49	Very low	56.8	Low	101 Å²	101	117 Å²	117	71%	0.706	67%	0.665	S	S	*	*			trans	-55.7	114.2	170.7	-173.6	0	0	0	0	109.6	S14 R18	S14-S16 PolarHBondContact O-N 3.13Å; S16-R18 PolarHBondContact O-N 3.02Å; S16-R18 VanDerWaalsContact OG-CB 3.32Å; S16-R18 WeakPolarHBondContact OG-CB 3.41Å; S16-R18 PolarHBondContact OG-N 3.04Å
17	T	55	Low	58.7	Low	148 Å²	148	113.2 Å²	113.2	91%	0.908	65%	0.649	S	S	*	*			trans	-73.2	8.3	171.6	43.8	0	0	0	0	112.7	N15 T19	N15-T17 PolarHBondContact O-N 3.19Å; T17-T19 PolarHBondContact O-N 3.04Å
18	R	54.3	Low	60.7	Low	208 Å²	208	114.3 Å²	114.3	79%	0.785	64%	0.643	S	S	*	*	S	Bend	trans	-73.9	121.3	-178.9	-158.1	172.6	176.3	-179.8	-1.1	109.2	S16 K20	S16-R18 PolarHBondContact O-N 3.02Å; S16-R18 VanDerWaalsContact OG-CB 3.32Å; S16-R18 WeakPolarHBondContact OG-CB 3.41Å; S16-R18 PolarHBondContact OG-N 3.04Å; R18-K20 PolarHBondContact O-N 3.33Å
19	T	60.1	Low	62.5	Low	124 Å²	124	118.5 Å²	118.5	76%	0.761	64%	0.64	S	S	*	*			trans	-51.2	115.1	176.3	15.5	0	0	0	0	109.7	T17 S21	T17-T19 PolarHBondContact O-N 3.04Å; T19-S21 PolarHBondContact O-N 2.78Å
20	K	65.8	Low	64.2	Low	93 Å²	93	120.3 Å²	120.3	40%	0.404	63%	0.631	S	S	.	*			trans	-49.7	127.8	179	-70.1	-178.2	-178.1	-178.8	0	109.4	R18 Q24 R25 E28	R18-K20 PolarHBondContact O-N 3.33Å; K20-Q24 HydrophobicContact CB-CB 4.31Å; K20-R25 HydrophobicContact CB-CG 3.84Å; K20-R25 PolarHBondContact O-NE 3.26Å; K20-R25 PolarHBondContact O-NH2 3.13Å; K20-E28 WeakPolarHBondContact CD-OE1 3.38Å; K20-E28 WeakPolarHBondContact CD-OE2 3.48Å; K20-E28 WeakPolarHBondContact CE-OE1 3.43Å; K20-E28 IonicContact NZ-OE1 2.69Å; K20-E28 PolarHBondContact NZ-OE1 2.83Å; K20-E28 IonicContact NZ-OE2 2.76Å; K20-E28 PolarHBondContact NZ-OE2 3.25Å
21	S	78	Confident	65.6	Low	61 Å²	61	119 Å²	119	43%	0.427	62%	0.619	S	S	.	*			trans	-60.6	158.6	176.7	72.9	0	0	0	0	110.3	T19 L23 Q24 R25	T19-S21 PolarHBondContact O-N 2.78Å; S21-L23 PolarHBondContact O-N 3.3Å; S21-Q24 PolarHBondContact O-N 3.33Å; S21-Q24 WeakPolarHBondContact OG-CB 3.33Å; S21-Q24 PolarHBondContact OG-N 3.46Å; S21-R25 PolarHBondContact O-N 3.07Å
22	S	80.6	Confident	67.5	Low	101 Å²	101	114.7 Å²	114.7	71%	0.706	60%	0.604	S	S	*	*	H	α-helix	trans	-54.4	-39	176.1	56	0	0	0	0	111.8	S26	S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.17Å
23	L	77.6	Confident	69.3	Low	122 Å²	122	112.4 Å²	112.4	64%	0.639	60%	0.595	S	S	*	*	H	α-helix	trans	-62.4	-46.2	175.3	-171.4	70.9	0	0	0	111.5	S21 R25 S26 V27	S21-L23 PolarHBondContact O-N 3.3Å; L23-R25 PolarHBondContact O-N 2.97Å; L23-S26 WeakPolarHBondContact O-CA 3.38Å; L23-S26 WeakPolarHBondContact O-CB 3.34Å; L23-S26 PolarHBondContact O-N 3.49Å; L23-S26 VanDerWaalsContact O-N 3.08Å; L23-V27 WeakPolarHBondContact O-CG2 3.19Å; L23-V27 PolarHBondContact O-N 2.93Å
24	Q	74.9	Confident	70.9	Confident	102 Å²	102	112.2 Å²	112.2	48%	0.477	58%	0.577	S	S	.	*	H	α-helix	trans	-64.4	-40.9	-178.3	-153	171.3	5	0	0	111.6	K20 S21 S26 V27 E28	K20-Q24 HydrophobicContact CB-CB 4.31Å; S21-Q24 PolarHBondContact O-N 3.33Å; S21-Q24 WeakPolarHBondContact OG-CB 3.33Å; S21-Q24 PolarHBondContact OG-N 3.46Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 3.41Å; Q24-V27 PolarHBondContact O-N 3.38Å; Q24-E28 WeakPolarHBondContact O-CG 3.37Å; Q24-E28 PolarHBondContact O-N 3.15Å
25	R	78.6	Confident	72.1	Confident	125 Å²	125	113.4 Å²	113.4	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-66.7	-31.5	172.5	-62.2	-177.5	-144.2	171.7	3.8	113	K20 S21 L23 R29	K20-R25 HydrophobicContact CB-CG 3.84Å; K20-R25 PolarHBondContact O-NE 3.26Å; K20-R25 PolarHBondContact O-NH2 3.13Å; S21-R25 PolarHBondContact O-N 3.07Å; L23-R25 PolarHBondContact O-N 2.97Å; R25-R29 WeakPolarHBondContact O-CB 3.24Å; R25-R29 WeakPolarHBondContact O-CG 3.24Å; R25-R29 PolarHBondContact O-N 2.69Å; R25-R29 VanDerWaalsContact O-N 3.11Å; R25-R29 PolarHBondContact O-NE 3.25Å
26	S	80.5	Confident	73.6	Confident	64 Å²	64	113.4 Å²	113.4	45%	0.448	56%	0.562	S	S	.	*	H	α-helix	trans	-68.7	-46	175.3	-173.6	0	0	0	0	111.1	S22 L23 Q24 R29 R30	S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.17Å; L23-S26 WeakPolarHBondContact O-CA 3.38Å; L23-S26 WeakPolarHBondContact O-CB 3.34Å; L23-S26 PolarHBondContact O-N 3.49Å; L23-S26 VanDerWaalsContact O-N 3.08Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 3.41Å; S26-R29 PolarHBondContact O-N 3.45Å; S26-R30 PolarHBondContact O-N 3.38Å
27	V	78.8	Confident	74.7	Confident	74 Å²	74	113.5 Å²	113.5	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-61.3	-46.8	175.8	172.7	0	0	0	0	111	L23 Q24 R29 R30 I31	L23-V27 WeakPolarHBondContact O-CG2 3.19Å; L23-V27 PolarHBondContact O-N 2.93Å; Q24-V27 PolarHBondContact O-N 3.38Å; V27-R29 PolarHBondContact O-N 2.85Å; V27-R30 WeakPolarHBondContact O-CB 3.47Å; V27-R30 PolarHBondContact O-N 3.35Å; V27-R30 VanDerWaalsContact O-N 3.12Å; V27-I31 HydrophobicContact CG1-CD1 3.89Å; V27-I31 HydrophobicContact CG1-CG1 4.44Å; V27-I31 WeakPolarHBondContact O-CG1 3.32Å; V27-I31 PolarHBondContact O-N 3.23Å
28	E	80	Confident	75.1	Confident	63 Å²	63	110.3 Å²	110.3	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-42.3	177.8	-75.3	175.9	176.4	0	0	112.7	K20 Q24 R30 I31 I32	K20-E28 WeakPolarHBondContact CD-OE1 3.38Å; K20-E28 WeakPolarHBondContact CD-OE2 3.48Å; K20-E28 WeakPolarHBondContact CE-OE1 3.43Å; K20-E28 IonicContact NZ-OE1 2.69Å; K20-E28 PolarHBondContact NZ-OE1 2.83Å; K20-E28 IonicContact NZ-OE2 2.76Å; K20-E28 PolarHBondContact NZ-OE2 3.25Å; Q24-E28 WeakPolarHBondContact O-CG 3.37Å; Q24-E28 PolarHBondContact O-N 3.15Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 2.87Å; E28-I31 PolarHBondContact O-N 3.11Å; E28-I32 WeakPolarHBondContact O-CG1 3.47Å; E28-I32 PolarHBondContact O-N 2.87Å
29	R	81.7	Confident	75.5	Confident	175 Å²	175	106.3 Å²	106.3	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-60.1	-39.8	173.4	-82.6	-174	-81.7	-168.8	-2.1	111.9	R25 S26 V27 Y33	R25-R29 WeakPolarHBondContact O-CB 3.24Å; R25-R29 WeakPolarHBondContact O-CG 3.24Å; R25-R29 PolarHBondContact O-N 2.69Å; R25-R29 VanDerWaalsContact O-N 3.11Å; R25-R29 PolarHBondContact O-NE 3.25Å; S26-R29 PolarHBondContact O-N 3.45Å; V27-R29 PolarHBondContact O-N 2.85Å; R29-Y33 VanDerWaalsContact O-CB 3.3Å; R29-Y33 WeakPolarHBondContact O-CB 3.24Å; R29-Y33 PolarHBondContact O-N 2.86Å
30	R	80	Confident	75.4	Confident	142 Å²	142	106 Å²	106	54%	0.536	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-41.7	175.9	-157.3	93.8	176.8	-166.4	1.2	111.7	S26 V27 E28 Y33 N34	S26-R30 PolarHBondContact O-N 3.38Å; V27-R30 WeakPolarHBondContact O-CB 3.47Å; V27-R30 PolarHBondContact O-N 3.35Å; V27-R30 VanDerWaalsContact O-N 3.12Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 2.87Å; R30-Y33 PolarHBondContact O-N 2.8Å; R30-N34 WeakPolarHBondContact O-CB 3.41Å; R30-N34 PolarHBondContact O-N 2.7Å; R30-N34 PolarHBondContact O-OD1 2.79Å
31	I	78.7	Confident	74.9	Confident	87 Å²	87	109.8 Å²	109.8	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-48.9	176.6	-68.1	167.4	0	0	0	110.3	V27 E28 Y33 N34 Q35	V27-I31 HydrophobicContact CG1-CD1 3.89Å; V27-I31 HydrophobicContact CG1-CG1 4.44Å; V27-I31 WeakPolarHBondContact O-CG1 3.32Å; V27-I31 PolarHBondContact O-N 3.23Å; E28-I31 PolarHBondContact O-N 3.11Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 2.69Å; I31-N34 PolarHBondContact O-N 2.96Å; I31-Q35 WeakPolarHBondContact O-CG 3.11Å; I31-Q35 PolarHBondContact O-N 3Å
32	I	80.4	Confident	73.6	Confident	87 Å²	87	112.1 Å²	112.1	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-61.5	-43	178.1	-66.1	165.7	0	0	0	110.9	E28 Q35 K36	E28-I32 WeakPolarHBondContact O-CG1 3.47Å; E28-I32 PolarHBondContact O-N 2.87Å; I32-Q35 PolarHBondContact O-N 2.95Å; I32-K36 HydrophobicContact CG2-CD 4.44Å; I32-K36 PolarHBondContact O-N 3.19Å; I32-K36 VanDerWaalsContact O-N 3.08Å
33	Y	80.6	Confident	72.1	Confident	138 Å²	138	114.2 Å²	114.2	54%	0.541	55%	0.546	S	S	.	.	H	α-helix	trans	-60.9	-48.8	175.9	-179.6	-92.7	0	0	0	111.3	R29 R30 I31 Q35 K36 H37	R29-Y33 VanDerWaalsContact O-CB 3.3Å; R29-Y33 WeakPolarHBondContact O-CB 3.24Å; R29-Y33 PolarHBondContact O-N 2.86Å; R30-Y33 PolarHBondContact O-N 2.8Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 2.69Å; Y33-Q35 VanDerWaalsContact C-N 3.26Å; Y33-Q35 PolarHBondContact O-N 3.11Å; Y33-K36 PolarHBondContact O-N 3.35Å; Y33-H37 AromaticContact CD2-CD2 3.57Å; Y33-H37 HydrophobicContact CE1-CB 4.21Å; Y33-H37 AromaticContact CE2-CD2 3.4Å; Y33-H37 VanDerWaalsContact CE2-CD2 3.4Å; Y33-H37 WeakPolarHBondContact CE2-CD2 3.11Å; Y33-H37 AromaticContact CE2-NE2 3.98Å; Y33-H37 AromaticContact CZ-CD2 3.83Å; Y33-H37 WeakPolarHBondContact O-CB 3.22Å; Y33-H37 PolarHBondContact O-CD2 3.12Å; Y33-H37 PolarHBondContact O-N 3.21Å
34	N	78.3	Confident	70.7	Confident	65 Å²	65	119.8 Å²	119.8	35%	0.348	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-24.2	179.3	-69.4	-7.2	0	0	0	113	R30 I31 H37 P38	R30-N34 WeakPolarHBondContact O-CB 3.41Å; R30-N34 PolarHBondContact O-N 2.7Å; R30-N34 PolarHBondContact O-OD1 2.79Å; I31-N34 PolarHBondContact O-N 2.96Å; N34-H37 CarbonylContact O-C 3.32Å; N34-H37 VanDerWaalsContact O-C 3.32Å; N34-P38 WeakPolarHBondContact O-CA 3.29Å; N34-P38 VanDerWaalsContact O-N 3.16Å
35	Q	75.1	Confident	69.4	Low	144 Å²	144	122.6 Å²	122.6	67%	0.673	57%	0.566	S	S	*	*	H	α-helix	trans	-75.5	-37.5	172.6	-77.3	175.4	-17.9	0	0	112.3	I31 I32 Y33	I31-Q35 WeakPolarHBondContact O-CG 3.11Å; I31-Q35 PolarHBondContact O-N 3Å; I32-Q35 PolarHBondContact O-N 2.95Å; Y33-Q35 VanDerWaalsContact C-N 3.26Å; Y33-Q35 PolarHBondContact O-N 3.11Å
36	K	78.1	Confident	68	Low	158 Å²	158	119.3 Å²	119.3	69%	0.687	56%	0.563	S	S	*	*	H	α-helix	trans	-78.5	-27.7	175.8	-70.2	-177.1	177.9	-173.7	0	113	I32 Y33 P38	I32-K36 HydrophobicContact CG2-CD 4.44Å; I32-K36 PolarHBondContact O-N 3.19Å; I32-K36 VanDerWaalsContact O-N 3.08Å; Y33-K36 PolarHBondContact O-N 3.35Å; K36-P38 VanDerWaalsContact C-CD 3.43Å
37	H	72.8	Confident	66.6	Low	103 Å²	103	124.7 Å²	124.7	48%	0.477	59%	0.585	S	S	.	*	S	Bend	trans	-127.5	68.6	179.4	-54.7	-71.3	0	0	0	108.4	Y33 N34 L39	Y33-H37 AromaticContact CD2-CD2 3.57Å; Y33-H37 HydrophobicContact CE1-CB 4.21Å; Y33-H37 AromaticContact CE2-CD2 3.4Å; Y33-H37 VanDerWaalsContact CE2-CD2 3.4Å; Y33-H37 WeakPolarHBondContact CE2-CD2 3.11Å; Y33-H37 AromaticContact CE2-NE2 3.98Å; Y33-H37 AromaticContact CZ-CD2 3.83Å; Y33-H37 WeakPolarHBondContact O-CB 3.22Å; Y33-H37 PolarHBondContact O-CD2 3.12Å; Y33-H37 PolarHBondContact O-N 3.21Å; N34-H37 CarbonylContact O-C 3.32Å; N34-H37 VanDerWaalsContact O-C 3.32Å; H37-L39 PolarHBondContact O-N 2.82Å
38	P	62.9	Low	65.4	Low	81 Å²	81	129.3 Å²	129.3	53%	0.526	61%	0.607	S	S	.	*			trans	-58.2	127.3	177.4	25.2	-32.5	0	0	0	108.6	N34 K36 F40	N34-P38 WeakPolarHBondContact O-CA 3.29Å; N34-P38 VanDerWaalsContact O-N 3.16Å; K36-P38 VanDerWaalsContact C-CD 3.43Å; P38-F40 WeakPolarHBondContact CB-O 3.29Å; P38-F40 PolarHBondContact O-N 3.33Å; P38-F40 VanDerWaalsContact O-N 3.12Å
39	L	61.8	Low	64.5	Low	124 Å²	124	130.3 Å²	130.3	65%	0.649	61%	0.614	S	S	*	*	S	Bend	trans	-64.7	-12.6	176.8	-66.3	173.9	0	0	0	112	H37	H37-L39 PolarHBondContact O-N 2.82Å
40	F	57.5	Low	63.6	Low	116 Å²	116	123.1 Å²	123.1	51%	0.509	59%	0.589	S	S	.	*	S	Bend	trans	-159.2	148.6	179.1	50.6	-89.3	0	0	0	110.2	P38	P38-F40 WeakPolarHBondContact CB-O 3.29Å; P38-F40 PolarHBondContact O-N 3.33Å; P38-F40 VanDerWaalsContact O-N 3.12Å
41	E	56.4	Low	62.8	Low	173 Å²	173	117.8 Å²	117.8	81%	0.808	57%	0.573	S	S	*	*			trans	-67.6	134.2	162.5	-74.3	-164.9	159.3	0	0	109.5	H43	E41-H43 PolarHBondContact O-N 3.42Å
42	P	49.6	Very low	62.2	Low	111 Å²	111	114.9 Å²	114.9	72%	0.721	56%	0.56	S	S	*	*			trans	-67	101.4	177.9	20.9	-23.8	0	0	0	109.9
43	H	50	Low	62.4	Low	144 Å²	144	111.2 Å²	111.2	67%	0.667	54%	0.542	S	S	*	.			trans	-74.2	137	173.3	-136.7	48.9	0	0	0	110	E41 Y45	E41-H43 PolarHBondContact O-N 3.42Å; H43-Y45 PolarHBondContact O-N 2.84Å; H43-Y45 VanDerWaalsContact O-N 3.17Å
44	R	48.4	Very low	62.8	Low	240 Å²	240	110.2 Å²	110.2	91%	0.906	54%	0.537	S	S	*	.			trans	-70.5	110.6	179.1	-75.9	-175.2	175.1	-179.1	-0.7	109.4	S46	R44-S46 PolarHBondContact O-N 3.15Å
45	Y	47.3	Very low	63.5	Low	160 Å²	160	113.2 Å²	113.2	63%	0.627	54%	0.543	S	S	*	.			trans	-62.5	124	175.5	-56.3	-86.5	0	0	0	110.6	H43 C52	H43-Y45 PolarHBondContact O-N 2.84Å; H43-Y45 VanDerWaalsContact O-N 3.17Å; Y45-C52 HydrophobicContact CD1-CB 4.29Å
46	S	49.2	Very low	64.3	Low	57 Å²	57	109 Å²	109	40%	0.399	53%	0.533	S	S	.	.			trans	-75.2	131.7	161.3	178.7	0	0	0	0	108.6	R44 L48 D49	R44-S46 PolarHBondContact O-N 3.15Å; S46-L48 PolarHBondContact O-N 2.99Å; S46-L48 PolarHBondContact OG-N 3.34Å; S46-D49 PolarHBondContact OG-N 2.89Å
47	L	52	Low	65	Low	177 Å²	177	103 Å²	103	93%	0.927	51%	0.507	S	S	*	.	S	Bend	trans	-74.3	-11.5	173.4	-72.2	170.7	0	0	0	112.8
48	L	52.9	Low	65.8	Low	171 Å²	171	109.1 Å²	109.1	90%	0.895	53%	0.526	S	S	*	.	S	Bend	trans	-114.8	-12.4	-169.2	-64.3	172.9	0	0	0	113.6	S46	S46-L48 PolarHBondContact O-N 2.99Å; S46-L48 PolarHBondContact OG-N 3.34Å
49	D	60.2	Low	67.1	Low	84 Å²	84	108.2 Å²	108.2	45%	0.449	52%	0.521	S	S	.	.			trans	-115.1	120	-176.2	-174.8	4.3	0	0	0	110.3	S46 S51 C52	S46-D49 PolarHBondContact OG-N 2.89Å; D49-S51 VanDerWaalsContact CG-CB 3.44Å; D49-S51 PolarHBondContact O-N 3.14Å; D49-S51 VanDerWaalsContact O-N 3.1Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.35Å; D49-S51 PolarHBondContact OD1-OG 3.42Å; D49-S51 WeakPolarHBondContact OD2-CB 3.39Å; D49-S51 PolarHBondContact OD2-OG 3.21Å; D49-C52 PolarHBondContact O-N 3.03Å
50	D	62.8	Low	68.6	Low	24 Å²	24	104.9 Å²	104.9	13%	0.128	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-64.4	-9	174.9	-80.9	-32.7	0	0	0	112	C52 V53 R70 I71 S72 L76	D50-C52 PolarHBondContact O-N 2.92Å; D50-C52 VanDerWaalsContact O-N 3.13Å; D50-V53 HydrophobicContact CB-CG2 4.07Å; D50-V53 WeakPolarHBondContact O-CB 3.46Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.5Å; D50-V53 PolarHBondContact O-N 2.98Å; D50-V53 VanDerWaalsContact O-N 3.09Å; D50-R70 IonicContact OD1-NH1 3.91Å; D50-I71 PolarHBondContact OD2-N 3.01Å; D50-S72 PolarHBondContact OD2-N 3.12Å; D50-L76 HydrophobicContact CB-CD1 4.45Å
51	S	62.9	Low	70.3	Confident	30 Å²	30	103.2 Å²	103.2	21%	0.21	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-52.1	-33.7	169.1	71.7	0	0	0	0	111.9	D49 V53 H99	D49-S51 VanDerWaalsContact CG-CB 3.44Å; D49-S51 PolarHBondContact O-N 3.14Å; D49-S51 VanDerWaalsContact O-N 3.1Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.35Å; D49-S51 PolarHBondContact OD1-OG 3.42Å; D49-S51 WeakPolarHBondContact OD2-CB 3.39Å; D49-S51 PolarHBondContact OD2-OG 3.21Å; S51-V53 PolarHBondContact O-N 3.23Å; S51-H99 PolarHBondContact O-CE1 2.97Å; S51-H99 PolarHBondContact O-ND1 3.29Å
52	C	67.8	Low	72.1	Confident	25 Å²	25	97.3 Å²	97.3	17%	0.169	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-88	10.1	-178	-70	0	0	0	0	115	Y45 D49 D50 W54	Y45-C52 HydrophobicContact CD1-CB 4.29Å; D49-C52 PolarHBondContact O-N 3.03Å; D50-C52 PolarHBondContact O-N 2.92Å; D50-C52 VanDerWaalsContact O-N 3.13Å; C52-W54 PolarHBondContact O-N 2.76Å
53	V	83.4	Confident	74.2	Confident	10 Å²	10	92 Å²	92	6%	0.061	45%	0.445	C	S	.	.			trans	-64.8	123.8	180	172	0	0	0	0	110.6	D50 S51 Y66 L76 V94 V95	D50-V53 HydrophobicContact CB-CG2 4.07Å; D50-V53 WeakPolarHBondContact O-CB 3.46Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.5Å; D50-V53 PolarHBondContact O-N 2.98Å; D50-V53 VanDerWaalsContact O-N 3.09Å; S51-V53 PolarHBondContact O-N 3.23Å; V53-Y66 HydrophobicContact CG1-CE1 3.93Å; V53-L76 HydrophobicContact CB-CD1 4.39Å; V53-L76 HydrophobicContact CB-CD2 3.81Å; V53-L76 HydrophobicContact CG1-CD1 4.39Å; V53-L76 HydrophobicContact CG1-CD2 4.22Å; V53-L76 HydrophobicContact CG2-CD1 4.2Å; V53-L76 HydrophobicContact CG2-CD2 4.3Å; V53-V94 HydrophobicContact CG1-CB 4.44Å; V53-V94 HydrophobicContact CG1-CG1 4.02Å; V53-V95 VanDerWaalsContact O-CA 3.31Å; V53-V95 WeakPolarHBondContact O-CA 3.46Å; V53-V95 WeakPolarHBondContact O-CG2 3.16Å
54	W	89.8	Confident	76.2	Confident	118 Å²	118	86.8 Å²	86.8	45%	0.447	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	93.3	170.7	-173	-76.9	0	0	0	109	C52 L93 V95 V103	C52-W54 PolarHBondContact O-N 2.76Å; W54-L93 HydrophobicContact CD2-CD1 4.11Å; W54-L93 HydrophobicContact CD2-CD2 4.4Å; W54-L93 HydrophobicContact CG-CD1 4.09Å; W54-L93 HydrophobicContact CH2-CD2 3.95Å; W54-L93 HydrophobicContact CZ2-CD2 3.75Å; W54-L93 HydrophobicContact CZ3-CD2 4.38Å; W54-V95 HydrophobicContact CD2-CG2 4.26Å; W54-V95 HydrophobicContact CE3-CB 4.38Å; W54-V95 HydrophobicContact CE3-CG2 3.43Å; W54-V95 VanDerWaalsContact CE3-CG2 3.43Å; W54-V95 HydrophobicContact CZ3-CG2 3.79Å; W54-V103 HydrophobicContact CH2-CB 3.71Å; W54-V103 HydrophobicContact CH2-CG1 3.78Å; W54-V103 HydrophobicContact CH2-CG2 3.66Å; W54-V103 HydrophobicContact CZ2-CG1 4.42Å; W54-V103 HydrophobicContact CZ3-CB 4.11Å; W54-V103 HydrophobicContact CZ3-CG2 3.69Å
55	R	92.3	Very high	78.4	Confident	127 Å²	127	81.6 Å²	81.6	48%	0.479	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	121.6	-176.5	-163.8	170.2	178	170.8	3.5	113	F57 Y66 V94	R55-F57 HydrophobicContact CB-CE2 3.94Å; R55-F57 HydrophobicContact CB-CZ 4.3Å; R55-F57 VanDerWaalsContact CD-CZ 3.48Å; R55-F57 HydrophobicContact CG-CE1 4.47Å; R55-F57 HydrophobicContact CG-CE2 3.63Å; R55-F57 HydrophobicContact CG-CZ 3.59Å; R55-F57 WeakPolarHBondContact O-CE2 3.48Å; R55-Y66 HydrophobicContact CB-CD1 4.25Å; R55-Y66 HydrophobicContact CB-CE1 3.67Å; R55-Y66 VanDerWaalsContact CD-CZ 3.47Å; R55-Y66 HydrophobicContact CG-CE1 4.25Å; R55-V94 PolarHBondContact N-O 3.04Å; R55-V94 PolarHBondContact O-N 3.26Å
56	A	92.8	Very high	80.6	Confident	56 Å²	56	75.6 Å²	75.6	46%	0.463	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.1	-179.2	0	0	0	0	0	112.3	T91 F92 L93	A56-T91 HydrophobicContact CB-CG2 3.82Å; A56-F92 CarbonylContact C-O 3.5Å; A56-F92 WeakPolarHBondContact CA-O 3.46Å; A56-L93 HydrophobicContact CB-CD1 4.43Å
57	F	93	Very high	82.6	Confident	31 Å²	31	73 Å²	73	14%	0.136	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.3	-179.8	-60.2	-92	0	0	0	110.1	R55 A63 Y66 T91 F92 V94	R55-F57 HydrophobicContact CB-CE2 3.94Å; R55-F57 HydrophobicContact CB-CZ 4.3Å; R55-F57 VanDerWaalsContact CD-CZ 3.48Å; R55-F57 HydrophobicContact CG-CE1 4.47Å; R55-F57 HydrophobicContact CG-CE2 3.63Å; R55-F57 HydrophobicContact CG-CZ 3.59Å; R55-F57 WeakPolarHBondContact O-CE2 3.48Å; F57-A63 HydrophobicContact CB-CB 4.1Å; F57-A63 HydrophobicContact CD2-CB 3.69Å; F57-A63 HydrophobicContact CE2-CB 4.43Å; F57-A63 HydrophobicContact CG-CB 4.06Å; F57-Y66 HydrophobicContact CE1-CG 4.4Å; F57-Y66 AromaticContact CE2-CD1 3.63Å; F57-Y66 HydrophobicContact CE2-CD1 3.63Å; F57-Y66 HydrophobicContact CE2-CE1 4.43Å; F57-Y66 AromaticContact CE2-CG 3.85Å; F57-Y66 HydrophobicContact CE2-CG 3.85Å; F57-Y66 AromaticContact CZ-CD1 3.62Å; F57-Y66 HydrophobicContact CZ-CD1 3.62Å; F57-Y66 HydrophobicContact CZ-CD2 4.04Å; F57-Y66 HydrophobicContact CZ-CE1 4.45Å; F57-Y66 AromaticContact CZ-CG 3.36Å; F57-Y66 HydrophobicContact CZ-CG 3.36Å; F57-T91 WeakPolarHBondContact O-CA 3.35Å; F57-T91 WeakPolarHBondContact O-CG2 3.4Å; F57-F92 PolarHBondContact N-O 3.37Å; F57-F92 PolarHBondContact O-N 2.96Å; F57-V94 HydrophobicContact CD2-CG2 4.16Å; F57-V94 HydrophobicContact CE2-CG2 3.86Å
58	R	89.8	Confident	84.4	Confident	233 Å²	233	70.9 Å²	70.9	88%	0.879	35%	0.349	S	S	*	.	S	Bend	trans	-79.3	-20.1	174.2	-59.5	-168.8	-161.5	-178.1	6	113.4
59	C	89.4	Confident	86.1	Confident	62 Å²	62	66.8 Å²	66.8	42%	0.419	33%	0.331	S	S	.	.	S	Bend	trans	-122.7	136.7	-179.4	57.9	0	0	0	0	111	V61 S62 A63	C59-V61 VanDerWaalsContact C-N 3.31Å; C59-V61 PolarHBondContact O-N 2.98Å; C59-S62 PolarHBondContact O-N 3.09Å; C59-S62 WeakPolarHBondContact SG-CB 3.49Å; C59-S62 PolarHBondContact SG-OG 2.94Å; C59-A63 PolarHBondContact O-N 3.38Å
60	Q	92.6	Very high	87.4	Confident	53 Å²	53	66 Å²	66	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-43.8	-178.2	-167.3	-174.4	-58.1	0	0	112.3	S62 A63 M64 F92 M117 N249	Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 2.65Å; Q60-A63 WeakPolarHBondContact O-CB 3.5Å; Q60-A63 PolarHBondContact O-N 2.88Å; Q60-A63 VanDerWaalsContact O-N 3.15Å; Q60-M64 HydrophobicContact CG-CE 4.09Å; Q60-M64 HydrophobicContact CG-SD 4.43Å; Q60-M64 WeakPolarHBondContact O-CG 3.42Å; Q60-M64 PolarHBondContact O-N 3.42Å; Q60-F92 HydrophobicContact CB-CD1 4.19Å; Q60-F92 HydrophobicContact CB-CD2 4.24Å; Q60-F92 HydrophobicContact CB-CE1 3.82Å; Q60-F92 HydrophobicContact CB-CE2 3.89Å; Q60-F92 HydrophobicContact CB-CG 4.39Å; Q60-F92 HydrophobicContact CB-CZ 3.66Å; Q60-F92 HydrophobicContact CG-CD1 4.04Å; Q60-F92 HydrophobicContact CG-CE1 3.72Å; Q60-F92 HydrophobicContact CG-CZ 4.06Å; Q60-M117 HydrophobicContact CG-CE 4.29Å; Q60-M117 HydrophobicContact CG-SD 3.43Å; Q60-M117 WeakPolarHBondContact CG-SD 3.16Å; Q60-N249 VanDerWaalsContact NE2-CG 3.32Å; Q60-N249 PolarHBondContact NE2-ND2 3.14Å; Q60-N249 VanDerWaalsContact NE2-ND2 3.14Å
61	V	93	Very high	88.1	Confident	81 Å²	81	72.8 Å²	72.8	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-38.2	-179.1	177.4	0	0	0	0	111.8	C59 M64 K65	C59-V61 VanDerWaalsContact C-N 3.31Å; C59-V61 PolarHBondContact O-N 2.98Å; V61-M64 HydrophobicContact CB-CE 4.42Å; V61-M64 HydrophobicContact CG2-CE 4.09Å; V61-M64 PolarHBondContact O-N 3.08Å; V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 HydrophobicContact CG1-CG 4.45Å; V61-K65 WeakPolarHBondContact O-CB 3.37Å; V61-K65 WeakPolarHBondContact O-CG 3.39Å; V61-K65 PolarHBondContact O-N 2.85Å
62	S	94	Very high	88.9	Confident	50 Å²	50	73.6 Å²	73.6	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-72.5	-33.2	177.6	-66.4	0	0	0	0	112.6	C59 Q60 Y66	C59-S62 PolarHBondContact O-N 3.09Å; C59-S62 WeakPolarHBondContact SG-CB 3.49Å; C59-S62 PolarHBondContact SG-OG 2.94Å; Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 2.65Å; S62-Y66 WeakPolarHBondContact O-CB 3.26Å; S62-Y66 PolarHBondContact O-N 2.89Å
63	A	94.1	Very high	89.5	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-45.7	172.3	0	0	0	0	0	111.2	F57 C59 Q60 Y66 L67 I78 F92 V94	F57-A63 HydrophobicContact CB-CB 4.1Å; F57-A63 HydrophobicContact CD2-CB 3.69Å; F57-A63 HydrophobicContact CE2-CB 4.43Å; F57-A63 HydrophobicContact CG-CB 4.06Å; C59-A63 PolarHBondContact O-N 3.38Å; Q60-A63 WeakPolarHBondContact O-CB 3.5Å; Q60-A63 PolarHBondContact O-N 2.88Å; Q60-A63 VanDerWaalsContact O-N 3.15Å; A63-Y66 PolarHBondContact O-N 3.46Å; A63-L67 PolarHBondContact O-N 2.7Å; A63-I78 HydrophobicContact CB-CD1 4.1Å; A63-I78 HydrophobicContact CB-CG2 4.33Å; A63-F92 HydrophobicContact CB-CB 3.75Å; A63-V94 HydrophobicContact CB-CG2 3.89Å; A63-V94 WeakPolarHBondContact O-CG2 3.17Å
64	M	93.1	Very high	89.2	Confident	34 Å²	34	82.6 Å²	82.6	17%	0.167	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-50	176.5	-67.1	-177.2	-60.8	0	0	111.6	Q60 V61 Y66 L67 E68 I78 M117	Q60-M64 HydrophobicContact CG-CE 4.09Å; Q60-M64 HydrophobicContact CG-SD 4.43Å; Q60-M64 WeakPolarHBondContact O-CG 3.42Å; Q60-M64 PolarHBondContact O-N 3.42Å; V61-M64 HydrophobicContact CB-CE 4.42Å; V61-M64 HydrophobicContact CG2-CE 4.09Å; V61-M64 PolarHBondContact O-N 3.08Å; M64-Y66 VanDerWaalsContact C-N 3.26Å; M64-Y66 PolarHBondContact O-N 2.93Å; M64-L67 WeakPolarHBondContact O-CB 3.23Å; M64-L67 PolarHBondContact O-N 3.36Å; M64-L67 VanDerWaalsContact O-N 3.08Å; M64-E68 WeakPolarHBondContact O-CG 3.43Å; M64-E68 PolarHBondContact O-N 3.47Å; M64-I78 HydrophobicContact CG-CD1 3.87Å; M64-M117 HydrophobicContact CG-CE 3.82Å; M64-M117 HydrophobicContact SD-CE 3.98Å
65	K	93.7	Very high	88.9	Confident	130 Å²	130	83.7 Å²	83.7	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-57.2	-39.1	175.4	-75	179.5	177.8	-174.3	0	112.6	V61 T69	V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 HydrophobicContact CG1-CG 4.45Å; V61-K65 WeakPolarHBondContact O-CB 3.37Å; V61-K65 WeakPolarHBondContact O-CG 3.39Å; V61-K65 PolarHBondContact O-N 2.85Å; K65-T69 WeakPolarHBondContact O-CG2 3.48Å; K65-T69 PolarHBondContact O-N 3.36Å
66	Y	93.2	Very high	88.9	Confident	34 Å²	34	77.6 Å²	77.6	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-68	-41.2	176.6	174.8	-107.2	0	0	0	112	V53 R55 F57 S62 A63 M64 E68 T69 R70 V94	V53-Y66 HydrophobicContact CG1-CE1 3.93Å; R55-Y66 HydrophobicContact CB-CD1 4.25Å; R55-Y66 HydrophobicContact CB-CE1 3.67Å; R55-Y66 VanDerWaalsContact CD-CZ 3.47Å; R55-Y66 HydrophobicContact CG-CE1 4.25Å; F57-Y66 HydrophobicContact CE1-CG 4.4Å; F57-Y66 AromaticContact CE2-CD1 3.63Å; F57-Y66 HydrophobicContact CE2-CD1 3.63Å; F57-Y66 HydrophobicContact CE2-CE1 4.43Å; F57-Y66 AromaticContact CE2-CG 3.85Å; F57-Y66 HydrophobicContact CE2-CG 3.85Å; F57-Y66 AromaticContact CZ-CD1 3.62Å; F57-Y66 HydrophobicContact CZ-CD1 3.62Å; F57-Y66 HydrophobicContact CZ-CD2 4.04Å; F57-Y66 HydrophobicContact CZ-CE1 4.45Å; F57-Y66 AromaticContact CZ-CG 3.36Å; F57-Y66 HydrophobicContact CZ-CG 3.36Å; S62-Y66 WeakPolarHBondContact O-CB 3.26Å; S62-Y66 PolarHBondContact O-N 2.89Å; A63-Y66 PolarHBondContact O-N 3.46Å; M64-Y66 VanDerWaalsContact C-N 3.26Å; M64-Y66 PolarHBondContact O-N 2.93Å; Y66-E68 VanDerWaalsContact C-N 3.31Å; Y66-E68 PolarHBondContact O-N 3.45Å; Y66-T69 PolarHBondContact O-N 3.01Å; Y66-T69 VanDerWaalsContact O-N 3.12Å; Y66-T69 PolarHBondContact O-OG1 3.32Å; Y66-R70 PolarHBondContact O-NE 2.84Å; Y66-V94 HydrophobicContact CD1-CB 3.97Å; Y66-V94 HydrophobicContact CD1-CG1 4.09Å; Y66-V94 HydrophobicContact CD1-CG2 3.94Å; Y66-V94 HydrophobicContact CE1-CB 4.21Å; Y66-V94 HydrophobicContact CE1-CG1 4.23Å
67	L	91.6	Very high	89	Confident	4 Å²	4	75 Å²	75	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-59.5	-42.5	175.1	179.2	60.4	0	0	0	111.4	A63 M64 T69 R70 Q73 L76 I78 V94	A63-L67 PolarHBondContact O-N 2.7Å; M64-L67 WeakPolarHBondContact O-CB 3.23Å; M64-L67 PolarHBondContact O-N 3.36Å; M64-L67 VanDerWaalsContact O-N 3.08Å; L67-T69 PolarHBondContact O-N 2.96Å; L67-T69 VanDerWaalsContact O-N 3.15Å; L67-R70 HydrophobicContact CD1-CG 4.46Å; L67-R70 VanDerWaalsContact O-CB 3.29Å; L67-R70 WeakPolarHBondContact O-CB 3.24Å; L67-R70 WeakPolarHBondContact O-CG 3.23Å; L67-R70 PolarHBondContact O-N 2.79Å; L67-Q73 HydrophobicContact CD1-CB 4.37Å; L67-Q73 HydrophobicContact CD1-CG 4.25Å; L67-L76 HydrophobicContact CD1-CB 3.53Å; L67-L76 HydrophobicContact CD1-CD1 3.77Å; L67-L76 HydrophobicContact CD1-CG 4.3Å; L67-I78 HydrophobicContact CB-CD1 4.49Å; L67-I78 HydrophobicContact CD2-CD1 3.97Å; L67-I78 HydrophobicContact CD2-CG1 4.06Å; L67-V94 HydrophobicContact CB-CG1 4.24Å; L67-V94 HydrophobicContact CD1-CG1 3.95Å
68	E	89.8	Confident	89.1	Confident	131 Å²	131	73.5 Å²	73.5	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-58.9	-25.6	175.8	-70.5	164.8	-170.3	0	0	113.2	M64 Y66 R70 Q73	M64-E68 WeakPolarHBondContact O-CG 3.43Å; M64-E68 PolarHBondContact O-N 3.47Å; Y66-E68 VanDerWaalsContact C-N 3.31Å; Y66-E68 PolarHBondContact O-N 3.45Å; E68-R70 VanDerWaalsContact C-N 3.31Å; E68-Q73 PolarHBondContact O-NE2 3.34Å
69	T	88.4	Confident	89.4	Confident	85 Å²	85	62.4 Å²	62.4	52%	0.521	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.2	176.2	67.6	0	0	0	0	114.3	K65 Y66 L67	K65-T69 WeakPolarHBondContact O-CG2 3.48Å; K65-T69 PolarHBondContact O-N 3.36Å; Y66-T69 PolarHBondContact O-N 3.01Å; Y66-T69 VanDerWaalsContact O-N 3.12Å; Y66-T69 PolarHBondContact O-OG1 3.32Å; L67-T69 PolarHBondContact O-N 2.96Å; L67-T69 VanDerWaalsContact O-N 3.15Å
70	R	88	Confident	89.7	Confident	67 Å²	67	59.5 Å²	59.5	25%	0.253	30%	0.296	S	S	.	.			trans	-84.3	146.8	-179.5	-56.8	-60.3	96.8	-151.9	-2	110.2	D50 Y66 L67 E68 Q73 L76	D50-R70 IonicContact OD1-NH1 3.91Å; Y66-R70 PolarHBondContact O-NE 2.84Å; L67-R70 HydrophobicContact CD1-CG 4.46Å; L67-R70 VanDerWaalsContact O-CB 3.29Å; L67-R70 WeakPolarHBondContact O-CB 3.24Å; L67-R70 WeakPolarHBondContact O-CG 3.23Å; L67-R70 PolarHBondContact O-N 2.79Å; E68-R70 VanDerWaalsContact C-N 3.31Å; R70-Q73 HydrophobicContact CB-CG 4.21Å; R70-Q73 PolarHBondContact O-NE2 3.49Å; R70-L76 HydrophobicContact CB-CD1 3.85Å; R70-L76 HydrophobicContact CG-CD1 3.63Å
71	I	77.7	Confident	89.6	Confident	167 Å²	167	60 Å²	60	86%	0.856	30%	0.297	S	S	*	.	S	Bend	trans	-77.4	-43.8	-178.1	-61.4	173.8	0	0	0	109.2	D50	D50-I71 PolarHBondContact OD2-N 3.01Å
72	S	79	Confident	89	Confident	47 Å²	47	58 Å²	58	33%	0.329	28%	0.283	S	S	.	.			trans	-113.9	86.4	-178.7	170.8	0	0	0	0	110.6	D50	D50-S72 PolarHBondContact OD2-N 3.12Å
73	Q	79.9	Confident	87.8	Confident	68 Å²	68	57 Å²	57	32%	0.318	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-76.5	-22.8	-179	-62.6	178.7	33.6	0	0	113.3	L67 E68 R70 K75 L76	L67-Q73 HydrophobicContact CD1-CB 4.37Å; L67-Q73 HydrophobicContact CD1-CG 4.25Å; E68-Q73 PolarHBondContact O-NE2 3.34Å; R70-Q73 HydrophobicContact CB-CG 4.21Å; R70-Q73 PolarHBondContact O-NE2 3.49Å; Q73-K75 PolarHBondContact O-N 3.3Å; Q73-L76 PolarHBondContact O-N 3.46Å
74	E	77.4	Confident	86.4	Confident	157 Å²	157	63 Å²	63	73%	0.734	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-59	-27.6	-168.7	-60.5	177.3	178.4	0	0	114.7	T296	E74-T296 WeakPolarHBondContact O-CB 3.3Å; E74-T296 VanDerWaalsContact O-CG2 3.32Å; E74-T296 WeakPolarHBondContact O-CG2 3.46Å
75	K	84.3	Confident	84.7	Confident	140 Å²	140	70.2 Å²	70.2	61%	0.609	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-97.3	-8.2	179.2	-63.2	-177.1	-177.1	175.1	0	113.4	Q73 A96 V97	Q73-K75 PolarHBondContact O-N 3.3Å; K75-A96 WeakPolarHBondContact O-CA 3.16Å; K75-V97 PolarHBondContact O-N 2.95Å
76	L	91.4	Very high	82.9	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.4	-173.6	-60.1	-178.9	0	0	0	110	D50 V53 L67 R70 Q73 V95 A96	D50-L76 HydrophobicContact CB-CD1 4.45Å; V53-L76 HydrophobicContact CB-CD1 4.39Å; V53-L76 HydrophobicContact CB-CD2 3.81Å; V53-L76 HydrophobicContact CG1-CD1 4.39Å; V53-L76 HydrophobicContact CG1-CD2 4.22Å; V53-L76 HydrophobicContact CG2-CD1 4.2Å; V53-L76 HydrophobicContact CG2-CD2 4.3Å; L67-L76 HydrophobicContact CD1-CB 3.53Å; L67-L76 HydrophobicContact CD1-CD1 3.77Å; L67-L76 HydrophobicContact CD1-CG 4.3Å; R70-L76 HydrophobicContact CB-CD1 3.85Å; R70-L76 HydrophobicContact CG-CD1 3.63Å; Q73-L76 PolarHBondContact O-N 3.46Å; L76-V95 WeakPolarHBondContact CA-O 3.37Å; L76-A96 HydrophobicContact CD2-CB 4.01Å
77	K	94.6	Very high	80.9	Confident	1 Å²	1	70.6 Å²	70.6	0%	0.004	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	166	172	-75.7	-172.4	173.2	-79.6	0	110.4	F79 V94 V95 V97 E116 L292 E294	K77-F79 HydrophobicContact CB-CD2 4.34Å; K77-F79 HydrophobicContact CB-CE2 3.74Å; K77-F79 HydrophobicContact CB-CZ 4.03Å; K77-F79 HydrophobicContact CD-CZ 4.04Å; K77-V94 WeakPolarHBondContact O-CA 3.25Å; K77-V95 PolarHBondContact N-O 2.91Å; K77-V95 PolarHBondContact O-N 2.86Å; K77-V95 VanDerWaalsContact O-N 3.13Å; K77-V97 HydrophobicContact CB-CG2 4.1Å; K77-V97 HydrophobicContact CD-CG2 3.5Å; K77-V97 VanDerWaalsContact CD-CG2 3.5Å; K77-V97 HydrophobicContact CG-CG2 3.6Å; K77-E116 IonicContact NZ-OE1 2.85Å; K77-E116 PolarHBondContact NZ-OE1 3.33Å; K77-L292 HydrophobicContact CD-CD1 4.32Å; K77-E294 WeakPolarHBondContact CE-O 3.45Å; K77-E294 VanDerWaalsContact NZ-C 3.34Å; K77-E294 PolarHBondContact NZ-O 3.37Å; K77-E294 IonicContact NZ-OE1 3.28Å; K77-E294 PolarHBondContact NZ-OE1 2.87Å
78	I	96	Very high	79.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116	169.7	-55.9	-176.8	0	0	0	107.9	A63 M64 L67 F92 L93 V94 M117	A63-I78 HydrophobicContact CB-CD1 4.1Å; A63-I78 HydrophobicContact CB-CG2 4.33Å; M64-I78 HydrophobicContact CG-CD1 3.87Å; L67-I78 HydrophobicContact CB-CD1 4.49Å; L67-I78 HydrophobicContact CD2-CD1 3.97Å; L67-I78 HydrophobicContact CD2-CG1 4.06Å; I78-F92 HydrophobicContact CG2-CB 4.03Å; I78-F92 HydrophobicContact CG2-CD1 4.14Å; I78-L93 WeakPolarHBondContact CA-O 3.22Å; I78-V94 HydrophobicContact CD1-CG2 4.43Å; I78-V94 HydrophobicContact CG1-CG2 4.18Å; I78-M117 HydrophobicContact CB-CB 4.14Å; I78-M117 HydrophobicContact CB-CE 3.8Å; I78-M117 HydrophobicContact CB-SD 4.29Å; I78-M117 HydrophobicContact CD1-CE 3.49Å; I78-M117 VanDerWaalsContact CD1-CE 3.49Å; I78-M117 HydrophobicContact CG1-CE 4.11Å; I78-M117 HydrophobicContact CG2-CB 4.14Å; I78-M117 HydrophobicContact CG2-CE 3.91Å; I78-M117 HydrophobicContact CG2-SD 3.84Å; I78-M117 VanDerWaalsContact O-CB 3.26Å; I78-M117 WeakPolarHBondContact O-CB 3.45Å; I78-M117 PolarHBondContact O-N 2.8Å
79	F	96.5	Very high	78.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146	169	-63	-80.5	0	0	0	109.1	K77 F92 L93 V95 V97 F100 Y115 L254 F288 L292	K77-F79 HydrophobicContact CB-CD2 4.34Å; K77-F79 HydrophobicContact CB-CE2 3.74Å; K77-F79 HydrophobicContact CB-CZ 4.03Å; K77-F79 HydrophobicContact CD-CZ 4.04Å; F79-F92 CarbonylContact O-C 3.5Å; F79-F92 WeakPolarHBondContact O-CA 3.43Å; F79-L93 PolarHBondContact N-O 3.07Å; F79-L93 PolarHBondContact O-N 2.93Å; F79-V95 HydrophobicContact CD2-CG1 3.61Å; F79-V95 HydrophobicContact CE2-CG1 3.99Å; F79-V97 HydrophobicContact CZ-CG1 4.43Å; F79-F100 HydrophobicContact CB-CD2 4.12Å; F79-F100 HydrophobicContact CB-CE2 3.68Å; F79-F100 HydrophobicContact CB-CZ 4.1Å; F79-F100 HydrophobicContact CD1-CD1 4.27Å; F79-F100 AromaticContact CD1-CE1 3.99Å; F79-F100 HydrophobicContact CD1-CE1 3.99Å; F79-F100 HydrophobicContact CD1-CE2 4.25Å; F79-F100 AromaticContact CD1-CZ 3.96Å; F79-F100 HydrophobicContact CD1-CZ 3.96Å; F79-F100 HydrophobicContact CD2-CB 4.05Å; F79-F100 HydrophobicContact CD2-CD1 4.07Å; F79-F100 AromaticContact CD2-CD2 3.47Å; F79-F100 HydrophobicContact CD2-CD2 3.47Å; F79-F100 VanDerWaalsContact CD2-CD2 3.47Å; F79-F100 HydrophobicContact CD2-CE1 4.43Å; F79-F100 AromaticContact CD2-CE2 3.88Å; F79-F100 HydrophobicContact CD2-CE2 3.88Å; F79-F100 AromaticContact CD2-CG 3.56Å; F79-F100 HydrophobicContact CD2-CG 3.56Å; F79-F100 HydrophobicContact CD2-CZ 4.34Å; F79-F100 HydrophobicContact CE1-CD1 4.06Å; F79-F100 HydrophobicContact CE1-CE1 4.05Å; F79-F100 HydrophobicContact CE1-CZ 4.49Å; F79-F100 HydrophobicContact CE2-CB 3.7Å; F79-F100 AromaticContact CE2-CD1 3.84Å; F79-F100 HydrophobicContact CE2-CD1 3.84Å; F79-F100 AromaticContact CE2-CD2 3.98Å; F79-F100 HydrophobicContact CE2-CD2 3.98Å; F79-F100 HydrophobicContact CE2-CE1 4.49Å; F79-F100 AromaticContact CE2-CG 3.53Å; F79-F100 HydrophobicContact CE2-CG 3.53Å; F79-F100 HydrophobicContact CG-CD1 4.26Å; F79-F100 AromaticContact CG-CD2 3.78Å; F79-F100 HydrophobicContact CG-CD2 3.78Å; F79-F100 HydrophobicContact CG-CE1 4.17Å; F79-F100 AromaticContact CG-CE2 3.66Å; F79-F100 HydrophobicContact CG-CE2 3.66Å; F79-F100 HydrophobicContact CG-CG 4.07Å; F79-F100 AromaticContact CG-CZ 3.86Å; F79-F100 HydrophobicContact CG-CZ 3.86Å; F79-F100 HydrophobicContact CZ-CB 4.37Å; F79-F100 AromaticContact CZ-CD1 3.83Å; F79-F100 HydrophobicContact CZ-CD1 3.83Å; F79-F100 HydrophobicContact CZ-CE1 4.3Å; F79-F100 HydrophobicContact CZ-CG 4.03Å; F79-Y115 CarbonylContact C-O 3.47Å; F79-Y115 WeakPolarHBondContact CA-O 3.13Å; F79-L254 HydrophobicContact CD1-CD1 3.77Å; F79-L254 HydrophobicContact CD1-CD2 4.23Å; F79-L254 HydrophobicContact CE1-CD1 4.07Å; F79-L254 HydrophobicContact CE1-CD2 4.03Å; F79-F288 HydrophobicContact CE1-CZ 4.39Å; F79-F288 HydrophobicContact CZ-CZ 4.38Å; F79-L292 HydrophobicContact CE1-CD2 4.07Å; F79-L292 HydrophobicContact CZ-CD2 4.41Å
80	S	94.4	Very high	78.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.3	171.2	71.2	0	0	0	0	111.1	T91 C114 Y115 T251	S80-T91 CarbonylContact C-O 3.57Å; S80-T91 WeakPolarHBondContact CA-O 3.45Å; S80-C114 CarbonylContact O-C 3.6Å; S80-C114 WeakPolarHBondContact O-CA 3.36Å; S80-Y115 PolarHBondContact N-O 3.33Å; S80-Y115 PolarHBondContact O-N 3.3Å; S80-T251 WeakPolarHBondContact OG-CG2 3.2Å
81	F	90.7	Very high	78.6	Confident	63 Å²	63	68.4 Å²	68.4	28%	0.276	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.1	175.6	54.8	-86.9	0	0	0	111.2	T91 L93 H113	F81-T91 HydrophobicContact CE1-CG2 3.82Å; F81-T91 HydrophobicContact CE2-CG2 3.91Å; F81-T91 VanDerWaalsContact CZ-CB 3.45Å; F81-T91 HydrophobicContact CZ-CG2 3.33Å; F81-T91 PolarHBondContact N-O 3.49Å; F81-T91 PolarHBondContact O-N 3.46Å; F81-L93 HydrophobicContact CE1-CB 4.01Å; F81-H113 VanDerWaalsContact CA-O 3.32Å; F81-H113 WeakPolarHBondContact CA-O 3.45Å
82	E	82	Confident	79.4	Confident	41 Å²	41	61.3 Å²	61.3	19%	0.192	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128	176.2	-68.4	174.4	-177.3	0	0	108.4	R90 H113 Y115 L260	E82-R90 HydrophobicContact CG-CG 3.86Å; E82-R90 IonicContact OE1-CZ 3.92Å; E82-R90 IonicContact OE1-NE 2.88Å; E82-R90 PolarHBondContact OE1-NE 3.42Å; E82-R90 IonicContact OE1-NH2 3.36Å; E82-R90 PolarHBondContact OE1-NH2 3.16Å; E82-H113 PolarHBondContact N-O 3.03Å; E82-Y115 HydrophobicContact CG-CE2 4.24Å; E82-L260 HydrophobicContact CB-CB 4.25Å; E82-L260 HydrophobicContact CB-CD2 4.25Å; E82-L260 VanDerWaalsContact OE2-CB 3.25Å; E82-L260 WeakPolarHBondContact OE2-CB 3.35Å
83	S	68.7	Low	80.2	Confident	28 Å²	28	59.3 Å²	59.3	20%	0.196	32%	0.322	C	S	.	.			trans	-108.3	141.3	179.9	97.4	0	0	0	0	111.1	F85 S86	S83-F85 PolarHBondContact O-N 3.25Å; S83-F85 VanDerWaalsContact O-N 3.16Å; S83-F85 PolarHBondContact OG-N 3.26Å; S83-S86 PolarHBondContact O-N 2.91Å; S83-S86 PolarHBondContact OG-N 3.08Å; S83-S86 PolarHBondContact OG-OG 2.83Å
84	H	63.9	Low	80.9	Confident	127 Å²	127	56 Å²	56	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.8	172.5	-69	-74.8	0	0	0	113.3
85	F	58.3	Low	81.7	Confident	184 Å²	184	48.6 Å²	48.6	81%	0.807	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.2	-172.8	-59.2	-73.8	0	0	0	113.5	S83	S83-F85 PolarHBondContact O-N 3.25Å; S83-F85 VanDerWaalsContact O-N 3.16Å; S83-F85 PolarHBondContact OG-N 3.26Å
86	S	54.6	Low	82	Confident	41 Å²	41	42.2 Å²	42.2	29%	0.287	25%	0.245	S	C	.	.	S	Bend	trans	-115.5	103.4	177.6	52.9	0	0	0	0	108.9	S83 G88 G89	S83-S86 PolarHBondContact O-N 2.91Å; S83-S86 PolarHBondContact OG-N 3.08Å; S83-S86 PolarHBondContact OG-OG 2.83Å; S86-G88 PolarHBondContact O-N 2.9Å; S86-G89 PolarHBondContact O-N 3.31Å; S86-G89 VanDerWaalsContact O-N 3.14Å; S86-G89 PolarHBondContact OG-O 3.09Å; S86-G89 VanDerWaalsContact OG-O 3.12Å
87	S	52.2	Low	82.1	Confident	132 Å²	132	42.7 Å²	42.7	92%	0.923	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	100.8	175.4	54.8	0	0	0	0	111	G89	S87-G89 PolarHBondContact O-N 2.81Å
88	G	59.2	Low	81.9	Confident	87 Å²	87	46.8 Å²	46.8	90%	0.897	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-0.9	178.7	0	0	0	0	0	116.6	S86	S86-G88 PolarHBondContact O-N 2.9Å
89	G	72.2	Confident	81.7	Confident	28 Å²	28	49.6 Å²	49.6	29%	0.289	28%	0.28	S	S	.	.			trans	-83	134	-177	0	0	0	0	0	113	S86 S87	S86-G89 PolarHBondContact O-N 3.31Å; S86-G89 VanDerWaalsContact O-N 3.14Å; S86-G89 PolarHBondContact OG-O 3.09Å; S86-G89 VanDerWaalsContact OG-O 3.12Å; S87-G89 PolarHBondContact O-N 2.81Å
90	R	85.4	Confident	81.6	Confident	98 Å²	98	50 Å²	50	37%	0.37	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.7	167.1	-72.8	-178.8	-180	148.8	3.1	110.6	E82 F92 T251	E82-R90 HydrophobicContact CG-CG 3.86Å; E82-R90 IonicContact OE1-CZ 3.92Å; E82-R90 IonicContact OE1-NE 2.88Å; E82-R90 PolarHBondContact OE1-NE 3.42Å; E82-R90 IonicContact OE1-NH2 3.36Å; E82-R90 PolarHBondContact OE1-NH2 3.16Å; R90-F92 HydrophobicContact CB-CE2 4.16Å; R90-F92 HydrophobicContact CB-CZ 4.2Å; R90-T251 PolarHBondContact NH1-OG1 2.95Å
91	T	92	Very high	81.6	Confident	28 Å²	28	50.7 Å²	50.7	17%	0.172	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.6	167.9	-58.5	0	0	0	0	108.8	A56 F57 S80 F81	A56-T91 HydrophobicContact CB-CG2 3.82Å; F57-T91 WeakPolarHBondContact O-CA 3.35Å; F57-T91 WeakPolarHBondContact O-CG2 3.4Å; S80-T91 CarbonylContact C-O 3.57Å; S80-T91 WeakPolarHBondContact CA-O 3.45Å; F81-T91 HydrophobicContact CE1-CG2 3.82Å; F81-T91 HydrophobicContact CE2-CG2 3.91Å; F81-T91 VanDerWaalsContact CZ-CB 3.45Å; F81-T91 HydrophobicContact CZ-CG2 3.33Å; F81-T91 PolarHBondContact N-O 3.49Å; F81-T91 PolarHBondContact O-N 3.46Å
92	F	94.4	Very high	81.7	Confident	17 Å²	17	50 Å²	50	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.2	-178.2	-60.4	-92.4	0	0	0	109.4	A56 F57 Q60 A63 I78 F79 R90 M117	A56-F92 CarbonylContact C-O 3.5Å; A56-F92 WeakPolarHBondContact CA-O 3.46Å; F57-F92 PolarHBondContact N-O 3.37Å; F57-F92 PolarHBondContact O-N 2.96Å; Q60-F92 HydrophobicContact CB-CD1 4.19Å; Q60-F92 HydrophobicContact CB-CD2 4.24Å; Q60-F92 HydrophobicContact CB-CE1 3.82Å; Q60-F92 HydrophobicContact CB-CE2 3.89Å; Q60-F92 HydrophobicContact CB-CG 4.39Å; Q60-F92 HydrophobicContact CB-CZ 3.66Å; Q60-F92 HydrophobicContact CG-CD1 4.04Å; Q60-F92 HydrophobicContact CG-CE1 3.72Å; Q60-F92 HydrophobicContact CG-CZ 4.06Å; A63-F92 HydrophobicContact CB-CB 3.75Å; I78-F92 HydrophobicContact CG2-CB 4.03Å; I78-F92 HydrophobicContact CG2-CD1 4.14Å; F79-F92 CarbonylContact O-C 3.5Å; F79-F92 WeakPolarHBondContact O-CA 3.43Å; R90-F92 HydrophobicContact CB-CE2 4.16Å; R90-F92 HydrophobicContact CB-CZ 4.2Å; F92-M117 HydrophobicContact CD1-SD 4.05Å; F92-M117 HydrophobicContact CE1-SD 4.15Å
93	L	95.5	Very high	82.2	Confident	5 Å²	5	50 Å²	50	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.6	-178.9	174.3	65.7	0	0	0	109.8	W54 A56 I78 F79 F81 V95 F100	W54-L93 HydrophobicContact CD2-CD1 4.11Å; W54-L93 HydrophobicContact CD2-CD2 4.4Å; W54-L93 HydrophobicContact CG-CD1 4.09Å; W54-L93 HydrophobicContact CH2-CD2 3.95Å; W54-L93 HydrophobicContact CZ2-CD2 3.75Å; W54-L93 HydrophobicContact CZ3-CD2 4.38Å; A56-L93 HydrophobicContact CB-CD1 4.43Å; I78-L93 WeakPolarHBondContact CA-O 3.22Å; F79-L93 PolarHBondContact N-O 3.07Å; F79-L93 PolarHBondContact O-N 2.93Å; F81-L93 HydrophobicContact CE1-CB 4.01Å; L93-V95 HydrophobicContact CD1-CB 4.36Å; L93-V95 HydrophobicContact CD2-CB 4.21Å; L93-V95 HydrophobicContact CD2-CG1 3.82Å; L93-V95 HydrophobicContact CG-CB 3.93Å; L93-V95 HydrophobicContact CG-CG1 3.72Å; L93-F100 HydrophobicContact CD2-CD2 4.02Å; L93-F100 HydrophobicContact CD2-CE2 4.37Å
94	V	94.9	Very high	83.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.1	166.9	-172.2	0	0	0	0	107.8	V53 R55 F57 A63 Y66 L67 K77 I78	V53-V94 HydrophobicContact CG1-CB 4.44Å; V53-V94 HydrophobicContact CG1-CG1 4.02Å; R55-V94 PolarHBondContact N-O 3.04Å; R55-V94 PolarHBondContact O-N 3.26Å; F57-V94 HydrophobicContact CD2-CG2 4.16Å; F57-V94 HydrophobicContact CE2-CG2 3.86Å; A63-V94 HydrophobicContact CB-CG2 3.89Å; A63-V94 WeakPolarHBondContact O-CG2 3.17Å; Y66-V94 HydrophobicContact CD1-CB 3.97Å; Y66-V94 HydrophobicContact CD1-CG1 4.09Å; Y66-V94 HydrophobicContact CD1-CG2 3.94Å; Y66-V94 HydrophobicContact CE1-CB 4.21Å; Y66-V94 HydrophobicContact CE1-CG1 4.23Å; L67-V94 HydrophobicContact CB-CG1 4.24Å; L67-V94 HydrophobicContact CD1-CG1 3.95Å; K77-V94 WeakPolarHBondContact O-CA 3.25Å; I78-V94 HydrophobicContact CD1-CG2 4.43Å; I78-V94 HydrophobicContact CG1-CG2 4.18Å
95	V	93.8	Very high	84.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	151.8	-172.6	59.8	0	0	0	0	111.7	V53 W54 L76 K77 F79 L93 H99 F100	V53-V95 VanDerWaalsContact O-CA 3.31Å; V53-V95 WeakPolarHBondContact O-CA 3.46Å; V53-V95 WeakPolarHBondContact O-CG2 3.16Å; W54-V95 HydrophobicContact CD2-CG2 4.26Å; W54-V95 HydrophobicContact CE3-CB 4.38Å; W54-V95 HydrophobicContact CE3-CG2 3.43Å; W54-V95 VanDerWaalsContact CE3-CG2 3.43Å; W54-V95 HydrophobicContact CZ3-CG2 3.79Å; L76-V95 WeakPolarHBondContact CA-O 3.37Å; K77-V95 PolarHBondContact N-O 2.91Å; K77-V95 PolarHBondContact O-N 2.86Å; K77-V95 VanDerWaalsContact O-N 3.13Å; F79-V95 HydrophobicContact CD2-CG1 3.61Å; F79-V95 HydrophobicContact CE2-CG1 3.99Å; L93-V95 HydrophobicContact CD1-CB 4.36Å; L93-V95 HydrophobicContact CD2-CB 4.21Å; L93-V95 HydrophobicContact CD2-CG1 3.82Å; L93-V95 HydrophobicContact CG-CB 3.93Å; L93-V95 HydrophobicContact CG-CG1 3.72Å; V95-H99 HydrophobicContact CG2-CB 4.06Å; V95-F100 HydrophobicContact CG1-CB 3.76Å; V95-F100 HydrophobicContact CG1-CD2 3.97Å; V95-F100 HydrophobicContact CG1-CG 4.26Å; V95-F100 HydrophobicContact CG2-CB 4.25Å
96	A	91.9	Very high	86.5	Confident	6 Å²	6	45 Å²	45	5%	0.05	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	134	169.2	0	0	0	0	0	110.9	K75 L76 E98 H99 F100	K75-A96 WeakPolarHBondContact O-CA 3.16Å; L76-A96 HydrophobicContact CD2-CB 4.01Å; A96-E98 VanDerWaalsContact C-N 3.28Å; A96-E98 PolarHBondContact O-N 2.96Å; A96-H99 HydrophobicContact CB-CB 4.42Å; A96-H99 PolarHBondContact O-N 2.83Å; A96-F100 PolarHBondContact O-N 3.48Å
97	V	92.6	Very high	88.2	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-41.1	-172.3	-172.9	0	0	0	0	112.9	K75 K77 F79 H99 F100 W101 F288 F289 L292	K75-V97 PolarHBondContact O-N 2.95Å; K77-V97 HydrophobicContact CB-CG2 4.1Å; K77-V97 HydrophobicContact CD-CG2 3.5Å; K77-V97 VanDerWaalsContact CD-CG2 3.5Å; K77-V97 HydrophobicContact CG-CG2 3.6Å; F79-V97 HydrophobicContact CZ-CG1 4.43Å; V97-H99 VanDerWaalsContact C-N 3.34Å; V97-H99 PolarHBondContact O-N 2.78Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 3.36Å; V97-W101 PolarHBondContact O-N 2.88Å; V97-F288 HydrophobicContact CG1-CE1 4.06Å; V97-F289 HydrophobicContact CB-CE1 4.11Å; V97-F289 HydrophobicContact CG1-CD1 4.06Å; V97-F289 HydrophobicContact CG1-CE1 3.44Å; V97-F289 VanDerWaalsContact CG1-CE1 3.44Å; V97-F289 HydrophobicContact CG1-CZ 3.95Å; V97-L292 HydrophobicContact CG1-CD1 3.47Å; V97-L292 VanDerWaalsContact CG1-CD1 3.47Å
98	E	91.1	Very high	90.1	Very high	88 Å²	88	42.4 Å²	42.4	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-40.6	176.7	-65.2	-66.8	169.8	0	0	112.9	A96 W101 S102 R285 F289	A96-E98 VanDerWaalsContact C-N 3.28Å; A96-E98 PolarHBondContact O-N 2.96Å; E98-W101 PolarHBondContact O-N 2.8Å; E98-S102 PolarHBondContact O-N 2.75Å; E98-R285 IonicContact OE1-CZ 3.78Å; E98-R285 IonicContact OE1-NH2 3.97Å; E98-R285 PolarHBondContact OE1-NH2 2.98Å; E98-R285 IonicContact OE2-CZ 3.64Å; E98-R285 IonicContact OE2-NE 3.8Å; E98-R285 IonicContact OE2-NH2 2.68Å; E98-R285 PolarHBondContact OE2-NH2 3.34Å; E98-F289 HydrophobicContact CG-CZ 4.24Å; E98-F289 WeakPolarHBondContact OE1-CZ 3.42Å; E98-F289 VanDerWaalsContact OE2-CZ 3.32Å; E98-F289 WeakPolarHBondContact OE2-CZ 3.5Å
99	H	90.6	Very high	91.5	Very high	58 Å²	58	43.1 Å²	43.1	27%	0.269	22%	0.224	S	C	.	.	H	α-helix	trans	-74.6	-34.5	178.7	-70.2	-174.4	0	0	0	111.7	S51 V95 A96 V97 S102 V103	S51-H99 PolarHBondContact O-CE1 2.97Å; S51-H99 PolarHBondContact O-ND1 3.29Å; V95-H99 HydrophobicContact CG2-CB 4.06Å; A96-H99 HydrophobicContact CB-CB 4.42Å; A96-H99 PolarHBondContact O-N 2.83Å; V97-H99 VanDerWaalsContact C-N 3.34Å; V97-H99 PolarHBondContact O-N 2.78Å; H99-S102 PolarHBondContact O-OG 2.93Å; H99-V103 PolarHBondContact O-N 3.33Å
100	F	94.3	Very high	92.1	Very high	9 Å²	9	46 Å²	46	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-49.9	170.2	-179.1	-94.2	0	0	0	110.6	F79 L93 V95 A96 V97 S102 V103 Y104 C114 L254 F288	F79-F100 HydrophobicContact CB-CD2 4.12Å; F79-F100 HydrophobicContact CB-CE2 3.68Å; F79-F100 HydrophobicContact CB-CZ 4.1Å; F79-F100 HydrophobicContact CD1-CD1 4.27Å; F79-F100 AromaticContact CD1-CE1 3.99Å; F79-F100 HydrophobicContact CD1-CE1 3.99Å; F79-F100 HydrophobicContact CD1-CE2 4.25Å; F79-F100 AromaticContact CD1-CZ 3.96Å; F79-F100 HydrophobicContact CD1-CZ 3.96Å; F79-F100 HydrophobicContact CD2-CB 4.05Å; F79-F100 HydrophobicContact CD2-CD1 4.07Å; F79-F100 AromaticContact CD2-CD2 3.47Å; F79-F100 HydrophobicContact CD2-CD2 3.47Å; F79-F100 VanDerWaalsContact CD2-CD2 3.47Å; F79-F100 HydrophobicContact CD2-CE1 4.43Å; F79-F100 AromaticContact CD2-CE2 3.88Å; F79-F100 HydrophobicContact CD2-CE2 3.88Å; F79-F100 AromaticContact CD2-CG 3.56Å; F79-F100 HydrophobicContact CD2-CG 3.56Å; F79-F100 HydrophobicContact CD2-CZ 4.34Å; F79-F100 HydrophobicContact CE1-CD1 4.06Å; F79-F100 HydrophobicContact CE1-CE1 4.05Å; F79-F100 HydrophobicContact CE1-CZ 4.49Å; F79-F100 HydrophobicContact CE2-CB 3.7Å; F79-F100 AromaticContact CE2-CD1 3.84Å; F79-F100 HydrophobicContact CE2-CD1 3.84Å; F79-F100 AromaticContact CE2-CD2 3.98Å; F79-F100 HydrophobicContact CE2-CD2 3.98Å; F79-F100 HydrophobicContact CE2-CE1 4.49Å; F79-F100 AromaticContact CE2-CG 3.53Å; F79-F100 HydrophobicContact CE2-CG 3.53Å; F79-F100 HydrophobicContact CG-CD1 4.26Å; F79-F100 AromaticContact CG-CD2 3.78Å; F79-F100 HydrophobicContact CG-CD2 3.78Å; F79-F100 HydrophobicContact CG-CE1 4.17Å; F79-F100 AromaticContact CG-CE2 3.66Å; F79-F100 HydrophobicContact CG-CE2 3.66Å; F79-F100 HydrophobicContact CG-CG 4.07Å; F79-F100 AromaticContact CG-CZ 3.86Å; F79-F100 HydrophobicContact CG-CZ 3.86Å; F79-F100 HydrophobicContact CZ-CB 4.37Å; F79-F100 AromaticContact CZ-CD1 3.83Å; F79-F100 HydrophobicContact CZ-CD1 3.83Å; F79-F100 HydrophobicContact CZ-CE1 4.3Å; F79-F100 HydrophobicContact CZ-CG 4.03Å; L93-F100 HydrophobicContact CD2-CD2 4.02Å; L93-F100 HydrophobicContact CD2-CE2 4.37Å; V95-F100 HydrophobicContact CG1-CB 3.76Å; V95-F100 HydrophobicContact CG1-CD2 3.97Å; V95-F100 HydrophobicContact CG1-CG 4.26Å; V95-F100 HydrophobicContact CG2-CB 4.25Å; A96-F100 PolarHBondContact O-N 3.48Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 3.36Å; F100-S102 PolarHBondContact O-N 3.48Å; F100-V103 PolarHBondContact O-N 3.23Å; F100-Y104 HydrophobicContact CD1-CG 4.43Å; F100-Y104 HydrophobicContact CE1-CD1 4.26Å; F100-Y104 AromaticContact CE1-CD2 3.9Å; F100-Y104 HydrophobicContact CE1-CD2 3.9Å; F100-Y104 AromaticContact CE1-CG 3.68Å; F100-Y104 HydrophobicContact CE1-CG 3.68Å; F100-Y104 AromaticContact CZ-CD2 3.8Å; F100-Y104 HydrophobicContact CZ-CD2 3.8Å; F100-Y104 HydrophobicContact CZ-CG 4.04Å; F100-Y104 WeakPolarHBondContact O-CB 3.45Å; F100-Y104 PolarHBondContact O-N 3.36Å; F100-C114 HydrophobicContact CZ-CB 4.16Å; F100-L254 HydrophobicContact CE1-CD1 3.6Å; F100-L254 HydrophobicContact CZ-CD1 3.7Å; F100-F288 HydrophobicContact CD1-CE1 4.45Å; F100-F288 HydrophobicContact CD1-CE2 4.27Å; F100-F288 AromaticContact CD1-CZ 3.61Å; F100-F288 HydrophobicContact CD1-CZ 3.61Å; F100-F288 HydrophobicContact CE1-CE2 4.01Å; F100-F288 AromaticContact CE1-CZ 3.81Å; F100-F288 HydrophobicContact CE1-CZ 3.81Å
101	W	94.8	Very high	92.2	Very high	14 Å²	14	46.2 Å²	46.2	5%	0.053	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-44.1	179.8	174.5	-113.8	0	0	0	112.7	V97 E98 V103 Y104 K105 E284 R285 F288 F289	V97-W101 PolarHBondContact O-N 2.88Å; E98-W101 PolarHBondContact O-N 2.8Å; W101-V103 PolarHBondContact O-N 3.45Å; W101-Y104 AromaticContact CE3-CD1 3.89Å; W101-Y104 HydrophobicContact CE3-CD1 3.89Å; W101-Y104 AromaticContact CZ3-CD1 3.82Å; W101-Y104 HydrophobicContact CZ3-CD1 3.82Å; W101-Y104 HydrophobicContact CZ3-CE1 4.21Å; W101-Y104 PolarHBondContact O-N 2.94Å; W101-K105 HydrophobicContact CD2-CB 4.27Å; W101-K105 HydrophobicContact CE3-CB 4.38Å; W101-K105 HydrophobicContact CH2-CB 3.96Å; W101-K105 HydrophobicContact CZ2-CB 3.82Å; W101-K105 HydrophobicContact CZ2-CD 4.35Å; W101-K105 HydrophobicContact CZ3-CB 4.24Å; W101-K105 WeakPolarHBondContact O-CB 3.4Å; W101-K105 WeakPolarHBondContact O-CG 3.32Å; W101-K105 PolarHBondContact O-N 3.42Å; W101-E284 HydrophobicContact CH2-CB 3.87Å; W101-E284 HydrophobicContact CZ2-CB 4.05Å; W101-R285 VanDerWaalsContact CZ2-CA 3.49Å; W101-R285 HydrophobicContact CZ2-CB 3.93Å; W101-F288 HydrophobicContact CB-CD1 4.13Å; W101-F288 HydrophobicContact CB-CE1 3.96Å; W101-F288 HydrophobicContact CD2-CB 4.32Å; W101-F288 AromaticContact CD2-CD1 3.92Å; W101-F288 HydrophobicContact CD2-CD1 3.92Å; W101-F288 HydrophobicContact CD2-CG 4.09Å; W101-F288 HydrophobicContact CE3-CB 3.63Å; W101-F288 AromaticContact CE3-CD1 3.48Å; W101-F288 HydrophobicContact CE3-CD1 3.48Å; W101-F288 VanDerWaalsContact CE3-CD1 3.48Å; W101-F288 AromaticContact CE3-CD2 3.63Å; W101-F288 HydrophobicContact CE3-CD2 3.63Å; W101-F288 HydrophobicContact CE3-CE1 4.05Å; W101-F288 HydrophobicContact CE3-CE2 4.17Å; W101-F288 AromaticContact CE3-CG 3.26Å; W101-F288 HydrophobicContact CE3-CG 3.26Å; W101-F288 HydrophobicContact CE3-CZ 4.37Å; W101-F288 HydrophobicContact CG-CD1 4.2Å; W101-F288 HydrophobicContact CH2-CB 4.04Å; W101-F288 HydrophobicContact CZ3-CB 3.47Å; W101-F288 VanDerWaalsContact CZ3-CB 3.47Å; W101-F288 HydrophobicContact CZ3-CD1 4.22Å; W101-F288 AromaticContact CZ3-CD2 3.75Å; W101-F288 HydrophobicContact CZ3-CD2 3.75Å; W101-F288 AromaticContact CZ3-CG 3.54Å; W101-F288 HydrophobicContact CZ3-CG 3.54Å; W101-F289 HydrophobicContact CB-CE2 4.1Å; W101-F289 HydrophobicContact CB-CZ 4.37Å; W101-F289 HydrophobicContact CG-CE2 4.07Å
102	S	93.1	Very high	92.2	Very high	49 Å²	49	45.8 Å²	45.8	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-33.4	-177.4	73.7	0	0	0	0	113	E98 H99 F100 Q106	E98-S102 PolarHBondContact O-N 2.75Å; H99-S102 PolarHBondContact O-OG 2.93Å; F100-S102 PolarHBondContact O-N 3.48Å; S102-Q106 PolarHBondContact O-NE2 2.86Å
103	V	92.3	Very high	92.1	Very high	41 Å²	41	45.4 Å²	45.4	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-84.5	-47.4	174.6	178.6	0	0	0	0	111.1	W54 H99 F100 W101 K105 Q106 L107	W54-V103 HydrophobicContact CH2-CB 3.71Å; W54-V103 HydrophobicContact CH2-CG1 3.78Å; W54-V103 HydrophobicContact CH2-CG2 3.66Å; W54-V103 HydrophobicContact CZ2-CG1 4.42Å; W54-V103 HydrophobicContact CZ3-CB 4.11Å; W54-V103 HydrophobicContact CZ3-CG2 3.69Å; H99-V103 PolarHBondContact O-N 3.33Å; F100-V103 PolarHBondContact O-N 3.23Å; W101-V103 PolarHBondContact O-N 3.45Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 3.43Å; V103-Q106 PolarHBondContact O-N 3.09Å; V103-L107 PolarHBondContact O-N 3.42Å
104	Y	94.7	Very high	92.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-43.9	-176.1	177.3	-106.1	0	0	0	112.4	F100 W101 Q106 L107 R112 C114 Y255 L256 S257 F288	F100-Y104 HydrophobicContact CD1-CG 4.43Å; F100-Y104 HydrophobicContact CE1-CD1 4.26Å; F100-Y104 AromaticContact CE1-CD2 3.9Å; F100-Y104 HydrophobicContact CE1-CD2 3.9Å; F100-Y104 AromaticContact CE1-CG 3.68Å; F100-Y104 HydrophobicContact CE1-CG 3.68Å; F100-Y104 AromaticContact CZ-CD2 3.8Å; F100-Y104 HydrophobicContact CZ-CD2 3.8Å; F100-Y104 HydrophobicContact CZ-CG 4.04Å; F100-Y104 WeakPolarHBondContact O-CB 3.45Å; F100-Y104 PolarHBondContact O-N 3.36Å; W101-Y104 AromaticContact CE3-CD1 3.89Å; W101-Y104 HydrophobicContact CE3-CD1 3.89Å; W101-Y104 AromaticContact CZ3-CD1 3.82Å; W101-Y104 HydrophobicContact CZ3-CD1 3.82Å; W101-Y104 HydrophobicContact CZ3-CE1 4.21Å; W101-Y104 PolarHBondContact O-N 2.94Å; Y104-Q106 PolarHBondContact O-N 2.86Å; Y104-Q106 VanDerWaalsContact O-N 3.15Å; Y104-L107 HydrophobicContact CD2-CD1 4.16Å; Y104-L107 WeakPolarHBondContact O-CB 3.44Å; Y104-L107 PolarHBondContact O-N 2.94Å; Y104-L107 VanDerWaalsContact O-N 3.08Å; Y104-R112 HydrophobicContact CE2-CB 4.07Å; Y104-R112 HydrophobicContact CE2-CG 3.96Å; Y104-C114 HydrophobicContact CD2-CB 4.33Å; Y104-C114 HydrophobicContact CE2-CB 3.83Å; Y104-Y255 PolarHBondContact OH-O 3.46Å; Y104-L256 HydrophobicContact CE1-CB 4.34Å; Y104-S257 WeakPolarHBondContact OH-CB 3.49Å; Y104-S257 PolarHBondContact OH-N 3.47Å; Y104-S257 VanDerWaalsContact OH-N 3.14Å; Y104-S257 PolarHBondContact OH-OG 3.37Å; Y104-F288 HydrophobicContact CD1-CD2 4.36Å; Y104-F288 HydrophobicContact CD1-CE2 4.19Å; Y104-F288 HydrophobicContact CE1-CD2 4.31Å; Y104-F288 HydrophobicContact CE1-CE2 4.31Å
105	K	93.7	Very high	92.2	Very high	104 Å²	104	46.2 Å²	46.2	45%	0.452	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.2	179	78.2	175.3	-161.8	167.6	0	113.7	W101 V103 R112	W101-K105 HydrophobicContact CD2-CB 4.27Å; W101-K105 HydrophobicContact CE3-CB 4.38Å; W101-K105 HydrophobicContact CH2-CB 3.96Å; W101-K105 HydrophobicContact CZ2-CB 3.82Å; W101-K105 HydrophobicContact CZ2-CD 4.35Å; W101-K105 HydrophobicContact CZ3-CB 4.24Å; W101-K105 WeakPolarHBondContact O-CB 3.4Å; W101-K105 WeakPolarHBondContact O-CG 3.32Å; W101-K105 PolarHBondContact O-N 3.42Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 3.43Å; K105-R112 PolarHBondContact O-NH2 3.04Å
106	Q	92.9	Very high	92.4	Very high	127 Å²	127	46.3 Å²	46.3	59%	0.593	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.7	-179.7	-60.9	-178.5	49.6	0	0	112.4	S102 V103 Y104	S102-Q106 PolarHBondContact O-NE2 2.86Å; V103-Q106 PolarHBondContact O-N 3.09Å; Y104-Q106 PolarHBondContact O-N 2.86Å; Y104-Q106 VanDerWaalsContact O-N 3.15Å
107	L	91.4	Very high	92.6	Very high	52 Å²	52	46.1 Å²	46.1	27%	0.272	24%	0.236	S	C	.	.	S	Bend	trans	-65.8	136.1	177.7	-66.1	177.6	0	0	0	110.1	V103 Y104 R112	V103-L107 PolarHBondContact O-N 3.42Å; Y104-L107 HydrophobicContact CD2-CD1 4.16Å; Y104-L107 WeakPolarHBondContact O-CB 3.44Å; Y104-L107 PolarHBondContact O-N 2.94Å; Y104-L107 VanDerWaalsContact O-N 3.08Å; L107-R112 HydrophobicContact CB-CG 4.01Å; L107-R112 VanDerWaalsContact O-CZ 3.3Å; L107-R112 PolarHBondContact O-NE 2.78Å; L107-R112 PolarHBondContact O-NH2 3.4Å
108	P	91.1	Very high	92.9	Very high	67 Å²	67	45.6 Å²	45.6	44%	0.435	23%	0.233	S	C	.	.			trans	-55.2	146.4	167.2	-26.4	36.2	0	0	0	111.5	N110 M111 R112	P108-N110 WeakPolarHBondContact CB-OD1 3.23Å; P108-N110 PolarHBondContact O-N 2.76Å; P108-N110 VanDerWaalsContact O-N 3.15Å; P108-M111 HydrophobicContact CG-SD 4.38Å; P108-M111 WeakPolarHBondContact O-CA 3.4Å; P108-M111 WeakPolarHBondContact O-CB 3.38Å; P108-M111 PolarHBondContact O-N 3.17Å; P108-R112 PolarHBondContact O-N 3.46Å
109	N	88.1	Confident	93.1	Very high	102 Å²	102	42.5 Å²	42.5	55%	0.545	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-54.5	-38.8	-176.9	-69.6	-8.7	0	0	0	113	M111 R112	N109-M111 PolarHBondContact O-N 2.84Å; N109-M111 VanDerWaalsContact O-N 3.1Å; N109-R112 PolarHBondContact O-N 3.28Å; N109-R112 VanDerWaalsContact O-N 3.12Å; N109-R112 PolarHBondContact OD1-NH1 2.96Å
110	N	85.8	Confident	93.2	Very high	89 Å²	89	44.1 Å²	44.1	48%	0.476	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-72.1	3.5	177.2	70.2	-33.6	0	0	0	114.6	P108 H113	P108-N110 WeakPolarHBondContact CB-OD1 3.23Å; P108-N110 PolarHBondContact O-N 2.76Å; P108-N110 VanDerWaalsContact O-N 3.15Å; N110-H113 PolarHBondContact O-NE2 2.93Å
111	M	86.9	Confident	93.1	Very high	103 Å²	103	46 Å²	46	51%	0.507	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-115.4	-4.8	172.2	-66.7	-169.3	155.7	0	0	112.7	P108 N109 H113	P108-M111 HydrophobicContact CG-SD 4.38Å; P108-M111 WeakPolarHBondContact O-CA 3.4Å; P108-M111 WeakPolarHBondContact O-CB 3.38Å; P108-M111 PolarHBondContact O-N 3.17Å; N109-M111 PolarHBondContact O-N 2.84Å; N109-M111 VanDerWaalsContact O-N 3.1Å; M111-H113 PolarHBondContact O-N 3.23Å
112	R	92.3	Very high	93.1	Very high	19 Å²	19	48.4 Å²	48.4	7%	0.072	26%	0.258	C	S	.	.			trans	-84.3	76.3	-178.4	-66	-178.2	-171.5	177.4	-1.2	110.7	Y104 K105 L107 P108 N109 L256 S257 S258	Y104-R112 HydrophobicContact CE2-CB 4.07Å; Y104-R112 HydrophobicContact CE2-CG 3.96Å; K105-R112 PolarHBondContact O-NH2 3.04Å; L107-R112 HydrophobicContact CB-CG 4.01Å; L107-R112 VanDerWaalsContact O-CZ 3.3Å; L107-R112 PolarHBondContact O-NE 2.78Å; L107-R112 PolarHBondContact O-NH2 3.4Å; P108-R112 PolarHBondContact O-N 3.46Å; N109-R112 PolarHBondContact O-N 3.28Å; N109-R112 VanDerWaalsContact O-N 3.12Å; N109-R112 PolarHBondContact OD1-NH1 2.96Å; R112-L256 WeakPolarHBondContact CB-O 3.46Å; R112-L256 WeakPolarHBondContact CD-O 3.23Å; R112-S257 CarbonylContact O-C 3.58Å; R112-S257 WeakPolarHBondContact O-CA 3.35Å; R112-S257 VanDerWaalsContact O-CB 3.25Å; R112-S257 WeakPolarHBondContact O-CB 3.27Å; R112-S257 PolarHBondContact O-OG 2.73Å; R112-S258 PolarHBondContact O-N 2.83Å
113	H	93.1	Very high	93.2	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.037	25%	0.247	C	C	.	.			trans	-114.8	58.1	174.4	-53.9	-51.2	0	0	0	111.1	F81 E82 N110 M111 S258 L260	F81-H113 VanDerWaalsContact CA-O 3.32Å; F81-H113 WeakPolarHBondContact CA-O 3.45Å; E82-H113 PolarHBondContact N-O 3.03Å; N110-H113 PolarHBondContact O-NE2 2.93Å; M111-H113 PolarHBondContact O-N 3.23Å; H113-S258 PolarHBondContact CE1-OG 2.64Å; H113-S258 VanDerWaalsContact CE1-OG 3.22Å; H113-S258 PolarHBondContact ND1-O 2.99Å; H113-S258 PolarHBondContact ND1-OG 3.21Å; H113-L260 VanDerWaalsContact CD2-CD1 3.45Å; H113-L260 WeakPolarHBondContact CD2-CD1 3.37Å
114	C	95.2	Very high	93.5	Very high	7 Å²	7	45 Å²	45	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.9	-169.8	-59.9	0	0	0	0	111.9	S80 F100 Y104 L254 S257	S80-C114 CarbonylContact O-C 3.6Å; S80-C114 WeakPolarHBondContact O-CA 3.36Å; F100-C114 HydrophobicContact CZ-CB 4.16Å; Y104-C114 HydrophobicContact CD2-CB 4.33Å; Y104-C114 HydrophobicContact CE2-CB 3.83Å; C114-L254 HydrophobicContact CB-CD1 3.59Å; C114-L254 HydrophobicContact CB-CG 4.4Å; C114-L254 PolarHBondContact O-N 2.93Å; C114-L254 VanDerWaalsContact O-N 3.14Å; C114-S257 PolarHBondContact N-OG 3.07Å; C114-S257 WeakPolarHBondContact O-CB 3.06Å
115	Y	96.8	Very high	93.7	Very high	15 Å²	15	46.8 Å²	46.8	6%	0.059	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.3	-179.4	-55.1	-103.4	0	0	0	109.3	F79 S80 E82 F252 R253	F79-Y115 CarbonylContact C-O 3.47Å; F79-Y115 WeakPolarHBondContact CA-O 3.13Å; S80-Y115 PolarHBondContact N-O 3.33Å; S80-Y115 PolarHBondContact O-N 3.3Å; E82-Y115 HydrophobicContact CG-CE2 4.24Å; Y115-F252 CarbonylContact C-O 3.46Å; Y115-F252 WeakPolarHBondContact CA-O 3.42Å; Y115-F252 WeakPolarHBondContact CB-O 3.32Å; Y115-R253 VanDerWaalsContact CD1-CA 3.44Å; Y115-R253 HydrophobicContact CD1-CB 3.74Å; Y115-R253 HydrophobicContact CD1-CG 4.33Å; Y115-R253 HydrophobicContact CE1-CB 3.72Å; Y115-R253 HydrophobicContact CE1-CG 4.07Å
116	E	97.7	Very high	93.9	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.2	162.6	-177	175.1	-159	0	0	108.9	K77 T251 F252 L254 I293 E294	K77-E116 IonicContact NZ-OE1 2.85Å; K77-E116 PolarHBondContact NZ-OE1 3.33Å; E116-T251 CarbonylContact O-C 3.19Å; E116-T251 WeakPolarHBondContact O-CA 3.47Å; E116-F252 PolarHBondContact N-O 3.08Å; E116-F252 PolarHBondContact O-N 2.93Å; E116-L254 HydrophobicContact CB-CD2 3.74Å; E116-I293 PolarHBondContact OE1-N 2.75Å; E116-I293 PolarHBondContact OE2-N 3.43Å; E116-E294 WeakPolarHBondContact OE1-CB 3.33Å; E116-E294 PolarHBondContact OE1-N 3.13Å; E116-E294 VanDerWaalsContact OE1-N 3.09Å
117	M	96.9	Very high	94.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109.2	165.5	-170.9	-175.8	91.2	0	0	109	Q60 M64 I78 F92 R119 N249	Q60-M117 HydrophobicContact CG-CE 4.29Å; Q60-M117 HydrophobicContact CG-SD 3.43Å; Q60-M117 WeakPolarHBondContact CG-SD 3.16Å; M64-M117 HydrophobicContact CG-CE 3.82Å; M64-M117 HydrophobicContact SD-CE 3.98Å; I78-M117 HydrophobicContact CB-CB 4.14Å; I78-M117 HydrophobicContact CB-CE 3.8Å; I78-M117 HydrophobicContact CB-SD 4.29Å; I78-M117 HydrophobicContact CD1-CE 3.49Å; I78-M117 VanDerWaalsContact CD1-CE 3.49Å; I78-M117 HydrophobicContact CG1-CE 4.11Å; I78-M117 HydrophobicContact CG2-CB 4.14Å; I78-M117 HydrophobicContact CG2-CE 3.91Å; I78-M117 HydrophobicContact CG2-SD 3.84Å; I78-M117 VanDerWaalsContact O-CB 3.26Å; I78-M117 WeakPolarHBondContact O-CB 3.45Å; I78-M117 PolarHBondContact O-N 2.8Å; F92-M117 HydrophobicContact CD1-SD 4.05Å; F92-M117 HydrophobicContact CE1-SD 4.15Å; M117-R119 HydrophobicContact CE-CG 3.58Å; M117-R119 PolarHBondContact O-N 2.79Å; M117-R119 VanDerWaalsContact O-N 3.14Å; M117-N249 HydrophobicContact CG-CB 4.4Å; M117-N249 HydrophobicContact SD-CB 4.47Å
118	I	97.1	Very high	94.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	99.2	176.2	-54.9	160.4	0	0	0	107.2	C124 Y127 N198 N249 R250 F252 I293	I118-C124 HydrophobicContact CG2-CB 4.48Å; I118-Y127 HydrophobicContact CD1-CE1 4.02Å; I118-Y127 HydrophobicContact CD1-CE2 4.11Å; I118-N198 HydrophobicContact CG2-CB 3.8Å; I118-N249 CarbonylContact O-C 3.55Å; I118-N249 WeakPolarHBondContact O-CA 3.07Å; I118-R250 HydrophobicContact CD1-CB 4.35Å; I118-R250 HydrophobicContact CD1-CG 4.22Å; I118-R250 PolarHBondContact N-O 2.98Å; I118-R250 PolarHBondContact O-N 3.41Å; I118-F252 HydrophobicContact CD1-CB 3.94Å; I118-I293 HydrophobicContact CD1-CB 4Å; I118-I293 HydrophobicContact CD1-CD1 3.75Å; I118-I293 HydrophobicContact CD1-CG1 4.5Å; I118-I293 HydrophobicContact CD1-CG2 3.65Å; I118-I293 HydrophobicContact CG1-CB 4.03Å; I118-I293 HydrophobicContact CG1-CG2 3.87Å; I118-I293 HydrophobicContact CG2-CG2 4.24Å
119	R	95.6	Very high	94.9	Very high	22 Å²	22	31 Å²	31	8%	0.083	16%	0.164	C	C	.	.			trans	-64.6	142.5	-175.3	-68.8	176.4	-68.7	140.6	3	110.7	M117 G121 E122 E294	M117-R119 HydrophobicContact CE-CG 3.58Å; M117-R119 PolarHBondContact O-N 2.79Å; M117-R119 VanDerWaalsContact O-N 3.14Å; R119-G121 PolarHBondContact O-N 2.88Å; R119-E122 HydrophobicContact CB-CB 4.23Å; R119-E122 HydrophobicContact CB-CG 3.53Å; R119-E122 VanDerWaalsContact CZ-CD 3.47Å; R119-E122 IonicContact CZ-OE2 3.49Å; R119-E122 VanDerWaalsContact NH1-CD 3.29Å; R119-E122 IonicContact NH1-OE1 3.82Å; R119-E122 PolarHBondContact NH1-OE1 2.88Å; R119-E122 IonicContact NH1-OE2 2.73Å; R119-E122 PolarHBondContact NH1-OE2 3.24Å; R119-E122 IonicContact NH2-OE2 3.46Å; R119-E122 PolarHBondContact NH2-OE2 2.84Å; R119-E122 PolarHBondContact O-N 2.81Å; R119-E294 WeakPolarHBondContact CB-OE2 3.42Å; R119-E294 WeakPolarHBondContact CG-OE2 3.44Å; R119-E294 IonicContact CZ-OE1 2.77Å; R119-E294 IonicContact CZ-OE2 3.13Å; R119-E294 PolarHBondContact N-OE2 3.29Å; R119-E294 VanDerWaalsContact N-OE2 3.17Å; R119-E294 VanDerWaalsContact NE-CD 3.35Å; R119-E294 IonicContact NE-OE1 3.64Å; R119-E294 PolarHBondContact NE-OE1 3.27Å; R119-E294 IonicContact NE-OE2 3.63Å; R119-E294 PolarHBondContact NE-OE2 2.95Å; R119-E294 IonicContact NH2-OE1 2.78Å; R119-E294 PolarHBondContact NH2-OE1 3.42Å; R119-E294 IonicContact NH2-OE2 3.99Å
120	E	93.9	Very high	95.4	Very high	93 Å²	93	26.2 Å²	26.2	44%	0.435	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.9	172.2	-179.5	-172.9	-142.5	0	0	111.1	E122 R248 N249	E120-E122 PolarHBondContact O-N 3.35Å; E120-R248 HydrophobicContact CB-CG 3.82Å; E120-R248 VanDerWaalsContact CD-NE 3.27Å; E120-R248 HydrophobicContact CG-CG 4Å; E120-R248 IonicContact OE1-CZ 3.48Å; E120-R248 IonicContact OE1-NE 3.72Å; E120-R248 PolarHBondContact OE1-NE 2.87Å; E120-R248 IonicContact OE2-CZ 3.48Å; E120-R248 IonicContact OE2-NE 3.51Å; E120-R248 PolarHBondContact OE2-NE 3.29Å; E120-R248 IonicContact OE2-NH2 2.75Å; E120-R248 PolarHBondContact OE2-NH2 3.23Å; E120-N249 PolarHBondContact N-OD1 2.87Å
121	G	91.5	Very high	95.9	Very high	47 Å²	47	24.4 Å²	24.4	49%	0.485	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-8.5	175.3	0	0	0	0	0	114.7	R119	R119-G121 PolarHBondContact O-N 2.88Å
122	E	94.6	Very high	96.4	Very high	66 Å²	66	19.8 Å²	19.8	31%	0.308	10%	0.104	S	C	.	.	S	Bend	trans	-86.2	141.8	178.1	-62.5	-70.2	134.7	0	0	111.7	R119 E120 K196 N197 E294	R119-E122 HydrophobicContact CB-CB 4.23Å; R119-E122 HydrophobicContact CB-CG 3.53Å; R119-E122 VanDerWaalsContact CZ-CD 3.47Å; R119-E122 IonicContact CZ-OE2 3.49Å; R119-E122 VanDerWaalsContact NH1-CD 3.29Å; R119-E122 IonicContact NH1-OE1 3.82Å; R119-E122 PolarHBondContact NH1-OE1 2.88Å; R119-E122 IonicContact NH1-OE2 2.73Å; R119-E122 PolarHBondContact NH1-OE2 3.24Å; R119-E122 IonicContact NH2-OE2 3.46Å; R119-E122 PolarHBondContact NH2-OE2 2.84Å; R119-E122 PolarHBondContact O-N 2.81Å; E120-E122 PolarHBondContact O-N 3.35Å; E122-K196 CarbonylContact C-O 3.59Å; E122-N197 VanDerWaalsContact O-CA 3.28Å; E122-N197 WeakPolarHBondContact O-CA 3.18Å; E122-E294 HydrophobicContact CB-CG 3.91Å
123	P	96.5	Very high	96.7	Very high	17 Å²	17	22.8 Å²	22.8	11%	0.11	12%	0.116	C	C	.	.			trans	-55.5	140.5	175.4	-24.5	33.5	0	0	0	112.7	V194 F195 K196 A295 Y298	P123-V194 HydrophobicContact CB-CG2 3.82Å; P123-F195 VanDerWaalsContact CA-O 3.32Å; P123-F195 WeakPolarHBondContact CA-O 3.44Å; P123-K196 WeakPolarHBondContact CA-O 3.42Å; P123-A295 PolarHBondContact O-N 3.47Å; P123-Y298 HydrophobicContact CB-CD1 4.18Å; P123-Y298 HydrophobicContact CB-CE1 3.69Å; P123-Y298 HydrophobicContact CG-CE1 3.67Å; P123-Y298 WeakPolarHBondContact CG-OH 3.25Å
124	C	98	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-144.7	151.3	-178.4	75.5	0	0	0	0	113.5	I118 V194 F195 N197 N198 I293	I118-C124 HydrophobicContact CG2-CB 4.48Å; C124-V194 WeakPolarHBondContact O-CB 3.4Å; C124-F195 PolarHBondContact N-O 2.81Å; C124-F195 PolarHBondContact O-N 3.46Å; C124-N197 VanDerWaalsContact SG-C 3.55Å; C124-N198 WeakPolarHBondContact SG-CA 3.14Å; C124-N198 PolarHBondContact SG-N 3.44Å; C124-N198 VanDerWaalsContact SG-N 3.42Å; C124-I293 CarbonylContact C-O 3.42Å; C124-I293 WeakPolarHBondContact CA-O 3.29Å; C124-I293 HydrophobicContact CB-CG2 3.92Å; C124-I293 WeakPolarHBondContact CB-O 3.42Å
125	R	98	Very high	96.9	Very high	41 Å²	41	29.5 Å²	29.5	16%	0.155	16%	0.156	C	C	.	.			trans	-63.9	154.7	164.6	-62.2	179.4	-179.1	135	-5.5	109.2	I186 H188 V194 F289 D290 L292 I293	R125-I186 HydrophobicContact CB-CG2 4.14Å; R125-H188 PolarHBondContact NE-CE1 2.77Å; R125-V194 HydrophobicContact CG-CG1 4.43Å; R125-F289 PolarHBondContact NH1-O 3.04Å; R125-D290 PolarHBondContact NH1-O 2.93Å; R125-L292 WeakPolarHBondContact CD-O 3.34Å; R125-L292 PolarHBondContact NH1-O 2.83Å; R125-I293 PolarHBondContact N-O 3.1Å
126	L	98.2	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.8	169.7	176.2	67.3	0	0	0	108.8	F128 F153 V187 F195 A201 F204 V205 Y246	L126-F128 HydrophobicContact CD1-CZ 4.24Å; L126-F128 HydrophobicContact CD2-CE2 3.99Å; L126-F128 HydrophobicContact CD2-CZ 3.81Å; L126-F128 HydrophobicContact CG-CE2 3.98Å; L126-F128 HydrophobicContact CG-CZ 3.97Å; L126-F153 HydrophobicContact CD2-CD2 4.42Å; L126-F153 HydrophobicContact CD2-CE2 3.42Å; L126-F153 VanDerWaalsContact CD2-CE2 3.42Å; L126-F153 HydrophobicContact CD2-CZ 3.75Å; L126-V187 HydrophobicContact CB-CB 4.15Å; L126-V187 HydrophobicContact CB-CG2 4.5Å; L126-V187 HydrophobicContact CD2-CB 4.49Å; L126-V187 HydrophobicContact CD2-CG2 4.3Å; L126-V187 HydrophobicContact CG-CG2 4.37Å; L126-V187 PolarHBondContact O-N 3.2Å; L126-F195 HydrophobicContact CB-CD2 4.06Å; L126-F195 HydrophobicContact CB-CE2 3.85Å; L126-F195 HydrophobicContact CD1-CE2 4.13Å; L126-F195 HydrophobicContact CD2-CE2 4.22Å; L126-F195 HydrophobicContact CG-CE2 4.3Å; L126-A201 HydrophobicContact CD1-CB 4.13Å; L126-F204 HydrophobicContact CD1-CD1 4.05Å; L126-F204 HydrophobicContact CD1-CE1 4.46Å; L126-F204 HydrophobicContact CD2-CD1 4.09Å; L126-F204 HydrophobicContact CD2-CE1 3.77Å; L126-V205 HydrophobicContact CD1-CG2 3.79Å; L126-Y246 WeakPolarHBondContact CD1-OH 3.1Å
127	Y	98.7	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.2	-175.2	65.2	-80.3	0	0	0	112.5	I118 L185 V245 Y246 F252 I293	I118-Y127 HydrophobicContact CD1-CE1 4.02Å; I118-Y127 HydrophobicContact CD1-CE2 4.11Å; Y127-L185 CarbonylContact C-O 3.55Å; Y127-L185 WeakPolarHBondContact CA-O 3.49Å; Y127-V245 HydrophobicContact CD2-CG2 4.25Å; Y127-V245 HydrophobicContact CE2-CB 4.03Å; Y127-V245 HydrophobicContact CE2-CG2 3.57Å; Y127-V245 PolarHBondContact OH-O 3.15Å; Y127-V245 VanDerWaalsContact OH-O 3.05Å; Y127-Y246 HydrophobicContact CD1-CE1 4.05Å; Y127-Y246 AromaticContact CE1-CD1 3.98Å; Y127-Y246 HydrophobicContact CE1-CD1 3.98Å; Y127-Y246 AromaticContact CE1-CE1 3.56Å; Y127-Y246 HydrophobicContact CE1-CE1 3.56Å; Y127-Y246 HydrophobicContact CE2-CE1 4.36Å; Y127-Y246 AromaticContact CZ-CD1 3.85Å; Y127-Y246 AromaticContact CZ-CE1 3.73Å; Y127-Y246 VanDerWaalsContact O-CZ 3.29Å; Y127-Y246 PolarHBondContact O-OH 3.3Å; Y127-F252 HydrophobicContact CD2-CD2 4.3Å; Y127-F252 HydrophobicContact CD2-CE1 4.16Å; Y127-F252 AromaticContact CD2-CE2 3.91Å; Y127-F252 HydrophobicContact CD2-CE2 3.91Å; Y127-F252 AromaticContact CD2-CZ 3.82Å; Y127-F252 HydrophobicContact CD2-CZ 3.82Å; Y127-F252 HydrophobicContact CE2-CD2 4.04Å; Y127-F252 AromaticContact CE2-CE2 3.95Å; Y127-F252 HydrophobicContact CE2-CE2 3.95Å; Y127-F252 HydrophobicContact CE2-CZ 4.33Å; Y127-I293 HydrophobicContact CD1-CB 4.39Å; Y127-I293 HydrophobicContact CD1-CD1 3.94Å; Y127-I293 HydrophobicContact CD1-CG1 4.14Å; Y127-I293 HydrophobicContact CD1-CG2 3.38Å; Y127-I293 HydrophobicContact CD2-CD1 3.56Å; Y127-I293 HydrophobicContact CE1-CD1 4.39Å; Y127-I293 HydrophobicContact CE1-CG2 3.57Å; Y127-I293 HydrophobicContact CE2-CD1 4.05Å; Y127-I293 HydrophobicContact CG-CD1 3.5Å; Y127-I293 VanDerWaalsContact CG-CD1 3.5Å; Y127-I293 HydrophobicContact CG-CG1 3.97Å; Y127-I293 HydrophobicContact CG-CG2 4.09Å
128	F	98.7	Very high	96.8	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.6	-179.8	-55.4	-85.3	0	0	0	110	L126 L130 F149 F153 H184 L185 V187 V205 M208	L126-F128 HydrophobicContact CD1-CZ 4.24Å; L126-F128 HydrophobicContact CD2-CE2 3.99Å; L126-F128 HydrophobicContact CD2-CZ 3.81Å; L126-F128 HydrophobicContact CG-CE2 3.98Å; L126-F128 HydrophobicContact CG-CZ 3.97Å; F128-L130 HydrophobicContact CB-CD2 4.08Å; F128-L130 HydrophobicContact CB-CG 4.4Å; F128-F149 HydrophobicContact CB-CE1 4.18Å; F128-F149 HydrophobicContact CB-CZ 4.41Å; F128-F149 AromaticContact CD1-CE1 3.77Å; F128-F149 HydrophobicContact CD1-CE1 3.77Å; F128-F149 AromaticContact CD1-CZ 3.5Å; F128-F149 HydrophobicContact CD1-CZ 3.5Å; F128-F149 HydrophobicContact CD2-CE1 4.05Å; F128-F149 HydrophobicContact CE1-CE1 4.07Å; F128-F149 AromaticContact CE1-CZ 3.77Å; F128-F149 HydrophobicContact CE1-CZ 3.77Å; F128-F149 HydrophobicContact CE2-CE1 4.33Å; F128-F149 AromaticContact CG-CE1 3.73Å; F128-F149 HydrophobicContact CG-CE1 3.73Å; F128-F149 AromaticContact CG-CZ 3.94Å; F128-F149 HydrophobicContact CG-CZ 3.94Å; F128-F149 HydrophobicContact CZ-CE1 4.33Å; F128-F149 HydrophobicContact CZ-CZ 4.42Å; F128-F153 HydrophobicContact CE2-CD2 4.1Å; F128-F153 HydrophobicContact CE2-CE2 4.2Å; F128-F153 HydrophobicContact CE2-CG 4.3Å; F128-F153 HydrophobicContact CE2-CZ 4.45Å; F128-F153 AromaticContact CZ-CD2 3.64Å; F128-F153 HydrophobicContact CZ-CD2 3.64Å; F128-F153 AromaticContact CZ-CE2 3.92Å; F128-F153 HydrophobicContact CZ-CE2 3.92Å; F128-F153 HydrophobicContact CZ-CG 4.15Å; F128-H184 CarbonylContact O-C 3.48Å; F128-H184 VanDerWaalsContact O-CA 3.3Å; F128-H184 WeakPolarHBondContact O-CA 3.1Å; F128-L185 HydrophobicContact CB-CB 4.12Å; F128-L185 HydrophobicContact CD2-CB 4.02Å; F128-L185 PolarHBondContact N-O 3.32Å; F128-L185 PolarHBondContact O-N 3.38Å; F128-V187 HydrophobicContact CD2-CG2 4.26Å; F128-V187 HydrophobicContact CE2-CG2 3.78Å; F128-V205 HydrophobicContact CD1-CG1 4.48Å; F128-V205 HydrophobicContact CD1-CG2 4.17Å; F128-V205 HydrophobicContact CE1-CG1 4.24Å; F128-V205 HydrophobicContact CE1-CG2 3.5Å; F128-V205 VanDerWaalsContact CE1-CG2 3.5Å; F128-V205 HydrophobicContact CZ-CG2 4.23Å; F128-M208 HydrophobicContact CE1-CE 3.76Å; F128-M208 HydrophobicContact CZ-CE 4.41Å
129	D	98.4	Very high	96.7	Very high	18 Å²	18	43 Å²	43	10%	0.096	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.1	168.2	-167.9	-0	0	0	0	107	H184 D242 V245 F252	D129-H184 IonicContact OD1-CD2 3.64Å; D129-H184 PolarHBondContact OD1-CD2 3.35Å; D129-H184 IonicContact OD1-NE2 2.68Å; D129-H184 IonicContact OD2-NE2 3.9Å; D129-D242 HydrophobicContact CB-CB 4.32Å; D129-D242 PolarHBondContact O-N 2.91Å; D129-V245 HydrophobicContact CB-CG1 3.71Å; D129-F252 HydrophobicContact CB-CE2 4.04Å; D129-F252 HydrophobicContact CB-CZ 4.2Å
130	L	98.6	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.7	-175	-55	-174.3	0	0	0	108.8	F128 V146 F149 F181 S182 R183 L185 L240 C241	F128-L130 HydrophobicContact CB-CD2 4.08Å; F128-L130 HydrophobicContact CB-CG 4.4Å; L130-V146 HydrophobicContact CD1-CG2 4.4Å; L130-F149 HydrophobicContact CD1-CD1 3.88Å; L130-F149 HydrophobicContact CD1-CE1 4.34Å; L130-F149 HydrophobicContact CD1-CG 4.17Å; L130-F149 HydrophobicContact CD2-CD1 4.13Å; L130-F149 HydrophobicContact CD2-CD2 4.24Å; L130-F149 HydrophobicContact CD2-CE1 3.91Å; L130-F149 HydrophobicContact CD2-CE2 4.03Å; L130-F149 HydrophobicContact CD2-CG 4.28Å; L130-F149 HydrophobicContact CD2-CZ 3.85Å; L130-F181 HydrophobicContact CB-CE1 4.24Å; L130-S182 WeakPolarHBondContact O-CA 3.24Å; L130-R183 HydrophobicContact CB-CB 4.28Å; L130-R183 PolarHBondContact N-O 3.5Å; L130-R183 PolarHBondContact O-N 3.41Å; L130-L185 HydrophobicContact CD1-CD1 3.7Å; L130-L185 HydrophobicContact CD1-CG 4.07Å; L130-L240 WeakPolarHBondContact CA-O 3.41Å; L130-L240 HydrophobicContact CB-CD1 4.34Å; L130-L240 HydrophobicContact CB-CD2 4.34Å; L130-L240 HydrophobicContact CB-CG 4.04Å; L130-L240 HydrophobicContact CD1-CD2 4.27Å; L130-L240 HydrophobicContact CD2-CD2 4.45Å; L130-L240 HydrophobicContact CD2-CG 4.32Å; L130-C241 HydrophobicContact CD2-CB 3.78Å
131	E	97.7	Very high	96.7	Very high	52 Å²	52	43.9 Å²	43.9	24%	0.243	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	148.2	-177.9	55.9	173.1	-113.6	0	0	115	K180 F181 L240	E131-K180 IonicContact OE1-NZ 3.55Å; E131-K180 PolarHBondContact OE1-NZ 2.9Å; E131-K180 WeakPolarHBondContact OE2-CE 3.3Å; E131-K180 IonicContact OE2-NZ 3.68Å; E131-K180 PolarHBondContact OE2-NZ 3.15Å; E131-F181 VanDerWaalsContact CA-O 3.3Å; E131-F181 WeakPolarHBondContact CA-O 3.27Å; E131-F181 WeakPolarHBondContact CB-O 3.5Å; E131-L240 PolarHBondContact N-O 3.17Å
132	F	97.7	Very high	96.9	Very high	6 Å²	6	42 Å²	42	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165.5	164.4	65.6	-91.2	0	0	0	110.4	F134 N137 M140 F181 V230 L240	F132-F134 AromaticContact CE2-CD1 3.65Å; F132-F134 HydrophobicContact CE2-CD1 3.65Å; F132-F134 AromaticContact CE2-CE1 3.63Å; F132-F134 HydrophobicContact CE2-CE1 3.63Å; F132-F134 HydrophobicContact CE2-CG 4.46Å; F132-F134 HydrophobicContact CE2-CZ 4.43Å; F132-F134 HydrophobicContact CZ-CD1 4.33Å; F132-F134 AromaticContact CZ-CE1 3.86Å; F132-F134 HydrophobicContact CZ-CE1 3.86Å; F132-N137 HydrophobicContact CD2-CB 3.85Å; F132-N137 HydrophobicContact CE2-CB 4.29Å; F132-M140 HydrophobicContact CD2-CB 4.44Å; F132-M140 HydrophobicContact CE2-CB 3.65Å; F132-M140 HydrophobicContact CE2-CG 4.49Å; F132-M140 HydrophobicContact CZ-CB 3.69Å; F132-F181 HydrophobicContact CD1-CB 3.63Å; F132-F181 AromaticContact CD1-CD1 3.43Å; F132-F181 HydrophobicContact CD1-CD1 3.43Å; F132-F181 VanDerWaalsContact CD1-CD1 3.43Å; F132-F181 HydrophobicContact CD1-CE1 4.31Å; F132-F181 AromaticContact CD1-CG 3.73Å; F132-F181 HydrophobicContact CD1-CG 3.73Å; F132-F181 HydrophobicContact CD2-CB 4.14Å; F132-F181 HydrophobicContact CE1-CB 3.39Å; F132-F181 AromaticContact CE1-CD1 3.29Å; F132-F181 HydrophobicContact CE1-CD1 3.29Å; F132-F181 HydrophobicContact CE1-CD2 4Å; F132-F181 HydrophobicContact CE1-CE1 4.03Å; F132-F181 AromaticContact CE1-CG 3.26Å; F132-F181 HydrophobicContact CE1-CG 3.26Å; F132-F181 HydrophobicContact CE2-CB 3.9Å; F132-F181 HydrophobicContact CG-CB 4.03Å; F132-F181 HydrophobicContact CG-CD1 4.48Å; F132-F181 HydrophobicContact CZ-CB 3.53Å; F132-F181 HydrophobicContact CZ-CD1 4.25Å; F132-F181 HydrophobicContact CZ-CD2 4.28Å; F132-F181 AromaticContact CZ-CG 3.76Å; F132-F181 HydrophobicContact CZ-CG 3.76Å; F132-F181 PolarHBondContact N-O 3.32Å; F132-F181 PolarHBondContact O-N 3.42Å; F132-V230 HydrophobicContact CB-CB 3.97Å; F132-V230 HydrophobicContact CB-CG1 3.85Å; F132-V230 HydrophobicContact CB-CG2 4.14Å; F132-V230 HydrophobicContact CD1-CG1 4.37Å; F132-V230 HydrophobicContact CG-CG1 4.24Å; F132-L240 HydrophobicContact CD1-CD1 3.48Å; F132-L240 VanDerWaalsContact CD1-CD1 3.48Å; F132-L240 HydrophobicContact CE1-CD1 4.14Å
133	Y	97.5	Very high	97	Very high	82 Å²	82	42.3 Å²	42.3	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	175.6	-71.4	-86.8	0	0	0	110.3	C135 T136 N137 K180	Y133-C135 VanDerWaalsContact C-N 3.27Å; Y133-C135 PolarHBondContact O-N 3.41Å; Y133-T136 PolarHBondContact O-N 2.99Å; Y133-T136 PolarHBondContact O-OG1 2.9Å; Y133-N137 PolarHBondContact O-N 3.37Å; Y133-N137 PolarHBondContact O-ND2 2.89Å; Y133-N137 VanDerWaalsContact O-ND2 3.14Å; Y133-K180 HydrophobicContact CD1-CB 4.12Å; Y133-K180 HydrophobicContact CD1-CG 4.42Å; Y133-K180 HydrophobicContact CE1-CB 4.1Å; Y133-K180 HydrophobicContact CE1-CD 3.94Å; Y133-K180 HydrophobicContact CE1-CG 4.25Å
134	F	97	Very high	97	Very high	56 Å²	56	44.9 Å²	44.9	25%	0.246	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.6	-32.8	-179.5	-69.3	-66.7	0	0	0	112.1	F132 T136 N137 P138 T176 T177 E178 E179 F181	F132-F134 AromaticContact CE2-CD1 3.65Å; F132-F134 HydrophobicContact CE2-CD1 3.65Å; F132-F134 AromaticContact CE2-CE1 3.63Å; F132-F134 HydrophobicContact CE2-CE1 3.63Å; F132-F134 HydrophobicContact CE2-CG 4.46Å; F132-F134 HydrophobicContact CE2-CZ 4.43Å; F132-F134 HydrophobicContact CZ-CD1 4.33Å; F132-F134 AromaticContact CZ-CE1 3.86Å; F132-F134 HydrophobicContact CZ-CE1 3.86Å; F134-T136 VanDerWaalsContact C-N 3.26Å; F134-T136 PolarHBondContact O-N 3.02Å; F134-N137 CarbonylContact O-C 3.59Å; F134-N137 PolarHBondContact O-N 3.26Å; F134-N137 VanDerWaalsContact O-N 3.14Å; F134-P138 VanDerWaalsContact O-CA 3.3Å; F134-P138 WeakPolarHBondContact O-CA 3.39Å; F134-P138 VanDerWaalsContact O-N 3.11Å; F134-T176 HydrophobicContact CE2-CG2 3.96Å; F134-T176 HydrophobicContact CZ-CG2 4.03Å; F134-T177 VanDerWaalsContact CE2-O 3.25Å; F134-T177 WeakPolarHBondContact CE2-O 3.47Å; F134-E178 WeakPolarHBondContact CD2-O 3.38Å; F134-E179 PolarHBondContact N-O 2.94Å; F134-E179 VanDerWaalsContact N-O 3.13Å; F134-F181 HydrophobicContact CE1-CB 4.3Å; F134-F181 HydrophobicContact CE2-CB 4.17Å; F134-F181 HydrophobicContact CZ-CB 3.77Å
135	C	96.3	Very high	97	Very high	100 Å²	100	44.9 Å²	44.9	68%	0.676	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-63.9	-28.5	179.9	62.4	0	0	0	0	114	Y133	Y133-C135 VanDerWaalsContact C-N 3.27Å; Y133-C135 PolarHBondContact O-N 3.41Å
136	T	96.8	Very high	97	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.209	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-98.2	-8.9	176.3	53.8	0	0	0	0	112.7	Y133 F134 L231 K233	Y133-T136 PolarHBondContact O-N 2.99Å; Y133-T136 PolarHBondContact O-OG1 2.9Å; F134-T136 VanDerWaalsContact C-N 3.26Å; F134-T136 PolarHBondContact O-N 3.02Å; T136-L231 WeakPolarHBondContact CB-O 3.33Å; T136-L231 PolarHBondContact OG1-O 2.78Å; T136-K233 HydrophobicContact CG2-CG 4.26Å
137	N	97.3	Very high	97	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.064	27%	0.266	C	S	.	.			trans	-140.8	61.4	-176.1	-59.9	-86.9	0	0	0	110.4	F132 Y133 F134 D139 M140 V230 L231	F132-N137 HydrophobicContact CD2-CB 3.85Å; F132-N137 HydrophobicContact CE2-CB 4.29Å; Y133-N137 PolarHBondContact O-N 3.37Å; Y133-N137 PolarHBondContact O-ND2 2.89Å; Y133-N137 VanDerWaalsContact O-ND2 3.14Å; F134-N137 CarbonylContact O-C 3.59Å; F134-N137 PolarHBondContact O-N 3.26Å; F134-N137 VanDerWaalsContact O-N 3.14Å; N137-D139 VanDerWaalsContact C-N 3.3Å; N137-D139 PolarHBondContact O-N 3.24Å; N137-M140 HydrophobicContact CB-CB 4.19Å; N137-M140 HydrophobicContact CB-CG 3.61Å; N137-M140 WeakPolarHBondContact O-CB 3.07Å; N137-M140 PolarHBondContact O-N 2.85Å; N137-V230 WeakPolarHBondContact OD1-CA 3.38Å; N137-L231 PolarHBondContact ND2-O 2.87Å; N137-L231 PolarHBondContact OD1-N 3.3Å
138	P	95.2	Very high	96.9	Very high	99 Å²	99	55.4 Å²	55.4	64%	0.643	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.2	-167.6	26.5	-35.8	0	0	0	114.2	F134	F134-P138 VanDerWaalsContact O-CA 3.3Å; F134-P138 WeakPolarHBondContact O-CA 3.39Å; F134-P138 VanDerWaalsContact O-N 3.11Å
139	D	93.6	Very high	96.9	Very high	158 Å²	158	55.6 Å²	55.6	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	4	-176.5	-55.7	-48	0	0	0	113.2	N137	N137-D139 VanDerWaalsContact C-N 3.3Å; N137-D139 PolarHBondContact O-N 3.24Å
140	M	93.9	Very high	96.9	Very high	41 Å²	41	55.7 Å²	55.7	20%	0.202	29%	0.286	C	S	.	.			trans	-82.9	122.9	-174.8	-70.2	-64.9	-79.6	0	0	112.3	F132 N137 C145 C227 V230	F132-M140 HydrophobicContact CD2-CB 4.44Å; F132-M140 HydrophobicContact CE2-CB 3.65Å; F132-M140 HydrophobicContact CE2-CG 4.49Å; F132-M140 HydrophobicContact CZ-CB 3.69Å; N137-M140 HydrophobicContact CB-CB 4.19Å; N137-M140 HydrophobicContact CB-CG 3.61Å; N137-M140 WeakPolarHBondContact O-CB 3.07Å; N137-M140 PolarHBondContact O-N 2.85Å; M140-C145 WeakPolarHBondContact CE-SG 3.44Å; M140-C227 HydrophobicContact CE-CB 3.84Å; M140-C227 WeakPolarHBondContact CE-O 3.26Å; M140-C227 HydrophobicContact SD-CB 4.34Å; M140-V230 HydrophobicContact CE-CG1 4.14Å
141	D	95.9	Very high	96.8	Very high	91 Å²	91	57.6 Å²	57.6	49%	0.487	31%	0.306	S	S	.	.			trans	-87.5	108.8	169	177.1	-6	0	0	0	110.2	E143 L144 C145	D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.13Å; D141-L144 HydrophobicContact CB-CB 3.88Å; D141-L144 PolarHBondContact O-N 3.15Å; D141-L144 PolarHBondContact OD1-N 3.39Å; D141-C145 PolarHBondContact O-N 3.4Å; D141-C145 PolarHBondContact O-SG 3.2Å
142	G	96.5	Very high	96.8	Very high	9 Å²	9	55.3 Å²	55.3	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-38.3	-179.6	0	0	0	0	0	114.3	C145 V146	G142-C145 WeakPolarHBondContact O-CB 3.31Å; G142-C145 PolarHBondContact O-N 2.96Å; G142-V146 WeakPolarHBondContact O-CG2 3.5Å; G142-V146 PolarHBondContact O-N 3.27Å
143	E	96.6	Very high	96.8	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-41.5	179.2	-72.2	-63.1	148.6	0	0	111	D141 C145 V146 K147 R183 S271	D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.13Å; E143-C145 VanDerWaalsContact C-N 3.3Å; E143-C145 PolarHBondContact O-N 3.07Å; E143-V146 PolarHBondContact O-N 3.12Å; E143-K147 PolarHBondContact O-N 3.48Å; E143-R183 IonicContact OE1-CZ 3.47Å; E143-R183 IonicContact OE1-NH1 3.62Å; E143-R183 PolarHBondContact OE1-NH1 2.94Å; E143-R183 IonicContact OE1-NH2 2.78Å; E143-R183 PolarHBondContact OE1-NH2 3.44Å; E143-R183 IonicContact OE2-NH2 2.72Å; E143-S271 PolarHBondContact OE1-OG 2.92Å; E143-S271 WeakPolarHBondContact OE2-CB 3.43Å; E143-S271 PolarHBondContact OE2-OG 3.15Å
144	L	97	Very high	96.8	Very high	71 Å²	71	53.1 Å²	53.1	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-41.7	173	-178.9	61.4	0	0	0	111.2	D141 K147 R148	D141-L144 HydrophobicContact CB-CB 3.88Å; D141-L144 PolarHBondContact O-N 3.15Å; D141-L144 PolarHBondContact OD1-N 3.39Å; L144-K147 PolarHBondContact O-N 3.46Å; L144-R148 HydrophobicContact CD1-CG 4.19Å; L144-R148 HydrophobicContact CG-CG 4.4Å; L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.11Å; L144-R148 PolarHBondContact O-N 3.42Å
145	C	97.6	Very high	96.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-48	177.3	-66.9	0	0	0	0	111.8	M140 D141 G142 E143 K147 R148 F149 C227 L240	M140-C145 WeakPolarHBondContact CE-SG 3.44Å; D141-C145 PolarHBondContact O-N 3.4Å; D141-C145 PolarHBondContact O-SG 3.2Å; G142-C145 WeakPolarHBondContact O-CB 3.31Å; G142-C145 PolarHBondContact O-N 2.96Å; E143-C145 VanDerWaalsContact C-N 3.3Å; E143-C145 PolarHBondContact O-N 3.07Å; C145-K147 PolarHBondContact O-N 2.98Å; C145-R148 PolarHBondContact O-N 3.22Å; C145-F149 VanDerWaalsContact O-CB 3.31Å; C145-F149 WeakPolarHBondContact O-CB 3.38Å; C145-F149 PolarHBondContact O-N 3.01Å; C145-C227 PolarHBondContact SG-O 2.81Å; C145-C227 VanDerWaalsContact SG-O 3.39Å; C145-L240 HydrophobicContact CB-CD2 3.92Å
146	V	98.1	Very high	96.4	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-46.6	176.4	177.7	0	0	0	0	110.6	L130 G142 E143 R148 F149 V150 F181 R183 L185	L130-V146 HydrophobicContact CD1-CG2 4.4Å; G142-V146 WeakPolarHBondContact O-CG2 3.5Å; G142-V146 PolarHBondContact O-N 3.27Å; E143-V146 PolarHBondContact O-N 3.12Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.66Å; V146-F149 PolarHBondContact O-N 2.88Å; V146-V150 HydrophobicContact CG1-CG2 4.15Å; V146-V150 WeakPolarHBondContact O-CB 3.36Å; V146-V150 WeakPolarHBondContact O-CG2 2.99Å; V146-V150 PolarHBondContact O-N 2.89Å; V146-F181 HydrophobicContact CG2-CE2 4.49Å; V146-F181 HydrophobicContact CG2-CZ 3.66Å; V146-R183 HydrophobicContact CG2-CG 4.08Å; V146-L185 HydrophobicContact CG1-CD2 4.42Å
147	K	97.5	Very high	96.1	Very high	156 Å²	156	49 Å²	49	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-58.7	-43.7	179.2	-176.6	177.4	179.7	176.6	0	112.3	E143 L144 C145 G151	E143-K147 PolarHBondContact O-N 3.48Å; L144-K147 PolarHBondContact O-N 3.46Å; C145-K147 PolarHBondContact O-N 2.98Å; K147-G151 PolarHBondContact O-N 3.33Å
148	R	97.7	Very high	95.7	Very high	98 Å²	98	52.2 Å²	52.2	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-40.4	177.6	-66.2	-63	-179.7	-175.7	1.7	111.9	L144 C145 V146 G151 Y152 C224 L228	L144-R148 HydrophobicContact CD1-CG 4.19Å; L144-R148 HydrophobicContact CG-CG 4.4Å; L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.11Å; L144-R148 PolarHBondContact O-N 3.42Å; C145-R148 PolarHBondContact O-N 3.22Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.66Å; R148-G151 PolarHBondContact O-N 3.45Å; R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.6Å; R148-C224 WeakPolarHBondContact CD-O 3.24Å; R148-L228 HydrophobicContact CB-CD2 4.09Å
149	F	98.3	Very high	95.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-48.7	176.9	-176.9	-94.9	0	0	0	111.2	F128 L130 C145 V146 G151 Y152 F153 L185 M208 L228 C241	F128-F149 HydrophobicContact CB-CE1 4.18Å; F128-F149 HydrophobicContact CB-CZ 4.41Å; F128-F149 AromaticContact CD1-CE1 3.77Å; F128-F149 HydrophobicContact CD1-CE1 3.77Å; F128-F149 AromaticContact CD1-CZ 3.5Å; F128-F149 HydrophobicContact CD1-CZ 3.5Å; F128-F149 HydrophobicContact CD2-CE1 4.05Å; F128-F149 HydrophobicContact CE1-CE1 4.07Å; F128-F149 AromaticContact CE1-CZ 3.77Å; F128-F149 HydrophobicContact CE1-CZ 3.77Å; F128-F149 HydrophobicContact CE2-CE1 4.33Å; F128-F149 AromaticContact CG-CE1 3.73Å; F128-F149 HydrophobicContact CG-CE1 3.73Å; F128-F149 AromaticContact CG-CZ 3.94Å; F128-F149 HydrophobicContact CG-CZ 3.94Å; F128-F149 HydrophobicContact CZ-CE1 4.33Å; F128-F149 HydrophobicContact CZ-CZ 4.42Å; L130-F149 HydrophobicContact CD1-CD1 3.88Å; L130-F149 HydrophobicContact CD1-CE1 4.34Å; L130-F149 HydrophobicContact CD1-CG 4.17Å; L130-F149 HydrophobicContact CD2-CD1 4.13Å; L130-F149 HydrophobicContact CD2-CD2 4.24Å; L130-F149 HydrophobicContact CD2-CE1 3.91Å; L130-F149 HydrophobicContact CD2-CE2 4.03Å; L130-F149 HydrophobicContact CD2-CG 4.28Å; L130-F149 HydrophobicContact CD2-CZ 3.85Å; C145-F149 VanDerWaalsContact O-CB 3.31Å; C145-F149 WeakPolarHBondContact O-CB 3.38Å; C145-F149 PolarHBondContact O-N 3.01Å; V146-F149 PolarHBondContact O-N 2.88Å; F149-G151 PolarHBondContact O-N 2.89Å; F149-Y152 PolarHBondContact O-N 3.28Å; F149-F153 WeakPolarHBondContact O-CB 3.24Å; F149-F153 PolarHBondContact O-N 3.49Å; F149-L185 HydrophobicContact CD1-CD1 3.96Å; F149-L185 HydrophobicContact CE1-CD1 4.17Å; F149-M208 HydrophobicContact CE2-CE 3.93Å; F149-M208 HydrophobicContact CZ-CE 3.72Å; F149-L228 HydrophobicContact CB-CD2 3.82Å; F149-L228 HydrophobicContact CD2-CD2 4.43Å; F149-C241 HydrophobicContact CE2-CB 3.67Å; F149-C241 HydrophobicContact CZ-CB 4.05Å
150	V	98	Very high	94.8	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-47.6	176.8	169	0	0	0	0	110.4	V146 Y152 F153 L154 T167 I170 L185	V146-V150 HydrophobicContact CG1-CG2 4.15Å; V146-V150 WeakPolarHBondContact O-CB 3.36Å; V146-V150 WeakPolarHBondContact O-CG2 2.99Å; V146-V150 PolarHBondContact O-N 2.89Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 2.91Å; V150-F153 WeakPolarHBondContact O-CB 3.23Å; V150-F153 PolarHBondContact O-N 3.3Å; V150-L154 HydrophobicContact CG1-CD1 4.13Å; V150-L154 HydrophobicContact CG1-CG 4.22Å; V150-L154 VanDerWaalsContact O-CG 3.27Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 2.92Å; V150-T167 HydrophobicContact CG1-CG2 4.14Å; V150-I170 HydrophobicContact CB-CD1 4.5Å; V150-I170 HydrophobicContact CG1-CD1 3.66Å; V150-I170 HydrophobicContact CG2-CD1 4.14Å; V150-L185 HydrophobicContact CG2-CD1 4.1Å
151	G	97.3	Very high	94.4	Very high	41 Å²	41	46.4 Å²	46.4	42%	0.423	24%	0.235	S	C	.	.	H	α-helix	trans	-56.6	-45.7	177.2	0	0	0	0	0	113.2	K147 R148 F149 L154 E155	K147-G151 PolarHBondContact O-N 3.33Å; R148-G151 PolarHBondContact O-N 3.45Å; F149-G151 PolarHBondContact O-N 2.89Å; G151-L154 PolarHBondContact O-N 3.03Å; G151-E155 PolarHBondContact O-N 3.05Å
152	Y	97.6	Very high	93.9	Very high	3 Å²	3	45 Å²	45	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.4	180	-107.7	0	0	0	112.7	R148 F149 V150 E155 K156 M208 L212 L225	R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.6Å; F149-Y152 PolarHBondContact O-N 3.28Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 2.91Å; Y152-E155 WeakPolarHBondContact O-CB 3.17Å; Y152-E155 PolarHBondContact O-N 2.84Å; Y152-K156 HydrophobicContact CD2-CG 4.48Å; Y152-K156 HydrophobicContact CE1-CG 4.02Å; Y152-K156 HydrophobicContact CE2-CG 3.97Å; Y152-K156 PolarHBondContact O-N 3.35Å; Y152-K156 VanDerWaalsContact OH-CE 3.26Å; Y152-K156 WeakPolarHBondContact OH-CE 3.3Å; Y152-M208 HydrophobicContact CD1-CG 4.15Å; Y152-M208 HydrophobicContact CD1-SD 4.46Å; Y152-M208 HydrophobicContact CE1-CG 3.57Å; Y152-M208 WeakPolarHBondContact CE1-O 3.02Å; Y152-M208 HydrophobicContact CE1-SD 4.44Å; Y152-M208 PolarHBondContact OH-O 3.23Å; Y152-L212 HydrophobicContact CD1-CD2 4.33Å; Y152-L212 HydrophobicContact CE1-CB 3.79Å; Y152-L212 HydrophobicContact CE1-CD1 4.25Å; Y152-L212 HydrophobicContact CE1-CD2 4.09Å; Y152-L212 HydrophobicContact CE1-CG 4.26Å; Y152-L212 HydrophobicContact CE2-CD1 4.3Å; Y152-L212 WeakPolarHBondContact OH-CA 3.32Å; Y152-L212 PolarHBondContact OH-N 3.32Å; Y152-L212 VanDerWaalsContact OH-N 3.11Å; Y152-L225 HydrophobicContact CD2-CD1 3.89Å; Y152-L225 HydrophobicContact CE2-CD1 4.3Å
153	F	97.6	Very high	93.5	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46	174.9	158.6	-112.2	0	0	0	111.8	L126 F128 F149 V150 E155 K156 A157 I165 I170 V187 F204 M208	L126-F153 HydrophobicContact CD2-CD2 4.42Å; L126-F153 HydrophobicContact CD2-CE2 3.42Å; L126-F153 VanDerWaalsContact CD2-CE2 3.42Å; L126-F153 HydrophobicContact CD2-CZ 3.75Å; F128-F153 HydrophobicContact CE2-CD2 4.1Å; F128-F153 HydrophobicContact CE2-CE2 4.2Å; F128-F153 HydrophobicContact CE2-CG 4.3Å; F128-F153 HydrophobicContact CE2-CZ 4.45Å; F128-F153 AromaticContact CZ-CD2 3.64Å; F128-F153 HydrophobicContact CZ-CD2 3.64Å; F128-F153 AromaticContact CZ-CE2 3.92Å; F128-F153 HydrophobicContact CZ-CE2 3.92Å; F128-F153 HydrophobicContact CZ-CG 4.15Å; F149-F153 WeakPolarHBondContact O-CB 3.24Å; F149-F153 PolarHBondContact O-N 3.49Å; V150-F153 WeakPolarHBondContact O-CB 3.23Å; V150-F153 PolarHBondContact O-N 3.3Å; F153-E155 VanDerWaalsContact C-N 3.32Å; F153-E155 PolarHBondContact O-N 2.83Å; F153-K156 CarbonylContact O-C 3.54Å; F153-K156 PolarHBondContact O-N 2.62Å; F153-K156 VanDerWaalsContact O-N 3.16Å; F153-A157 HydrophobicContact CD2-CB 4.46Å; F153-A157 HydrophobicContact CE2-CB 3.93Å; F153-A157 HydrophobicContact CZ-CB 4.2Å; F153-A157 WeakPolarHBondContact O-CB 3.21Å; F153-A157 PolarHBondContact O-N 2.98Å; F153-I165 HydrophobicContact CE1-CD1 4.02Å; F153-I165 HydrophobicContact CE1-CG2 4.49Å; F153-I165 HydrophobicContact CE2-CD1 4.36Å; F153-I165 HydrophobicContact CZ-CD1 3.49Å; F153-I165 VanDerWaalsContact CZ-CD1 3.49Å; F153-I170 HydrophobicContact CD1-CD1 4.03Å; F153-I170 HydrophobicContact CE1-CD1 3.95Å; F153-V187 HydrophobicContact CE1-CG1 4.18Å; F153-V187 HydrophobicContact CE1-CG2 4Å; F153-V187 HydrophobicContact CZ-CG1 3.99Å; F153-V187 HydrophobicContact CZ-CG2 3.99Å; F153-F204 HydrophobicContact CD2-CE1 4.09Å; F153-F204 HydrophobicContact CD2-CZ 4.17Å; F153-F204 AromaticContact CE2-CE1 3.84Å; F153-F204 HydrophobicContact CE2-CE1 3.84Å; F153-F204 HydrophobicContact CE2-CZ 4Å; F153-M208 HydrophobicContact CB-SD 4.14Å; F153-M208 HydrophobicContact CD2-SD 4.1Å
154	L	96.4	Very high	93.2	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-42	179.8	-66.9	-177.4	0	0	0	111.7	V150 G151 A157 N158 I165 T167 I170	V150-L154 HydrophobicContact CG1-CD1 4.13Å; V150-L154 HydrophobicContact CG1-CG 4.22Å; V150-L154 VanDerWaalsContact O-CG 3.27Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 2.92Å; G151-L154 PolarHBondContact O-N 3.03Å; L154-A157 PolarHBondContact O-N 3.48Å; L154-N158 PolarHBondContact O-N 2.69Å; L154-N158 VanDerWaalsContact O-N 3.12Å; L154-I165 HydrophobicContact CD2-CB 3.62Å; L154-I165 HydrophobicContact CD2-CG2 3.84Å; L154-I165 VanDerWaalsContact CD2-O 3.27Å; L154-I165 WeakPolarHBondContact CD2-O 3.23Å; L154-T167 HydrophobicContact CD1-CG2 4.06Å; L154-I170 HydrophobicContact CD2-CD1 4.44Å
155	E	93.2	Very high	93	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-58.3	-49.3	172.8	-177.9	-169.7	132.3	0	0	111.1	G151 Y152 F153 N158 E159 R223	G151-E155 PolarHBondContact O-N 3.05Å; Y152-E155 WeakPolarHBondContact O-CB 3.17Å; Y152-E155 PolarHBondContact O-N 2.84Å; F153-E155 VanDerWaalsContact C-N 3.32Å; F153-E155 PolarHBondContact O-N 2.83Å; E155-N158 PolarHBondContact O-N 2.99Å; E155-E159 WeakPolarHBondContact O-CB 3.1Å; E155-E159 PolarHBondContact O-N 3.38Å; E155-R223 IonicContact OE1-CZ 3.67Å; E155-R223 IonicContact OE1-NH1 2.68Å; E155-R223 IonicContact OE1-NH2 2.71Å; E155-R223 PolarHBondContact OE1-NH2 3.28Å; E155-R223 IonicContact OE2-CZ 3.88Å; E155-R223 IonicContact OE2-NH2 3.24Å; E155-R223 PolarHBondContact OE2-NH2 3.47Å
156	K	92.6	Very high	92.8	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.078	27%	0.271	C	S	.	.	H	α-helix	trans	-72.2	-29	-178	-70	-61.7	-175.1	-167.4	0	114.1	Y152 F153 E159 L160 M208	Y152-K156 HydrophobicContact CD2-CG 4.48Å; Y152-K156 HydrophobicContact CE1-CG 4.02Å; Y152-K156 HydrophobicContact CE2-CG 3.97Å; Y152-K156 PolarHBondContact O-N 3.35Å; Y152-K156 VanDerWaalsContact OH-CE 3.26Å; Y152-K156 WeakPolarHBondContact OH-CE 3.3Å; F153-K156 CarbonylContact O-C 3.54Å; F153-K156 PolarHBondContact O-N 2.62Å; F153-K156 VanDerWaalsContact O-N 3.16Å; K156-E159 WeakPolarHBondContact CD-OE2 3.31Å; K156-E159 IonicContact NZ-OE1 2.77Å; K156-E159 PolarHBondContact NZ-OE1 3.13Å; K156-E159 IonicContact NZ-OE2 3.44Å; K156-E159 PolarHBondContact NZ-OE2 2.82Å; K156-L160 HydrophobicContact CB-CD1 4.42Å; K156-L160 HydrophobicContact CD-CD1 4.41Å; K156-L160 VanDerWaalsContact O-CB 3.29Å; K156-L160 WeakPolarHBondContact O-CB 3.5Å; K156-L160 WeakPolarHBondContact O-CG 3.38Å; K156-L160 PolarHBondContact O-N 2.96Å; K156-M208 HydrophobicContact CB-CB 4.4Å; K156-M208 HydrophobicContact CB-CG 3.82Å; K156-M208 HydrophobicContact CB-SD 4.33Å; K156-M208 HydrophobicContact CG-CG 3.9Å
157	A	90.5	Very high	92.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-41.3	170.7	0	0	0	0	0	111.3	F153 L154 L161 G162 I163 I165 F204	F153-A157 HydrophobicContact CD2-CB 4.46Å; F153-A157 HydrophobicContact CE2-CB 3.93Å; F153-A157 HydrophobicContact CZ-CB 4.2Å; F153-A157 WeakPolarHBondContact O-CB 3.21Å; F153-A157 PolarHBondContact O-N 2.98Å; L154-A157 PolarHBondContact O-N 3.48Å; A157-L161 HydrophobicContact CB-CD1 4.41Å; A157-L161 CarbonylContact O-C 3.52Å; A157-L161 WeakPolarHBondContact O-CA 3.36Å; A157-L161 WeakPolarHBondContact O-CB 3.33Å; A157-L161 PolarHBondContact O-N 2.99Å; A157-G162 PolarHBondContact O-N 3.09Å; A157-I163 CarbonylContact C-O 3.35Å; A157-I163 PolarHBondContact O-N 3.07Å; A157-I165 HydrophobicContact CB-CD1 3.6Å; A157-I165 HydrophobicContact CB-CG1 4.44Å; A157-F204 HydrophobicContact CB-CZ 4.38Å
158	N	88	Confident	92.4	Very high	80 Å²	80	47.9 Å²	47.9	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-46.4	174.5	-175.7	-96.7	0	0	0	111.5	L154 E155 G162 I163 E164	L154-N158 PolarHBondContact O-N 2.69Å; L154-N158 VanDerWaalsContact O-N 3.12Å; E155-N158 PolarHBondContact O-N 2.99Å; N158-G162 WeakPolarHBondContact O-CA 3.4Å; N158-G162 PolarHBondContact O-N 2.82Å; N158-I163 PolarHBondContact N-O 3.22Å; N158-E164 WeakPolarHBondContact ND2-CG 3.4Å
159	E	83.5	Confident	92.3	Very high	110 Å²	110	44.2 Å²	44.2	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-51	-179.2	-178.4	-173.2	136.7	0	0	113.2	E155 K156	E155-E159 WeakPolarHBondContact O-CB 3.1Å; E155-E159 PolarHBondContact O-N 3.38Å; K156-E159 WeakPolarHBondContact CD-OE2 3.31Å; K156-E159 IonicContact NZ-OE1 2.77Å; K156-E159 PolarHBondContact NZ-OE1 3.13Å; K156-E159 IonicContact NZ-OE2 3.44Å; K156-E159 PolarHBondContact NZ-OE2 2.82Å
160	L	86.5	Confident	92.3	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-94.8	-27.3	-168.2	-57.4	174.8	0	0	0	113.4	K156 F204 D207 Y304	K156-L160 HydrophobicContact CB-CD1 4.42Å; K156-L160 HydrophobicContact CD-CD1 4.41Å; K156-L160 VanDerWaalsContact O-CB 3.29Å; K156-L160 WeakPolarHBondContact O-CB 3.5Å; K156-L160 WeakPolarHBondContact O-CG 3.38Å; K156-L160 PolarHBondContact O-N 2.96Å; L160-F204 HydrophobicContact CB-CD2 4.21Å; L160-F204 HydrophobicContact CB-CE2 4.01Å; L160-F204 HydrophobicContact CD1-CD2 4.22Å; L160-F204 HydrophobicContact CD1-CE2 4.03Å; L160-D207 HydrophobicContact CD1-CB 4.26Å; L160-Y304 HydrophobicContact CB-CE2 4.26Å
161	L	86.7	Confident	92.3	Very high	35 Å²	35	43.4 Å²	43.4	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-106.8	-17.2	179.6	-51.5	174.3	0	0	0	112.6	A157 I163 F195 F204 I302 Y304	A157-L161 HydrophobicContact CB-CD1 4.41Å; A157-L161 CarbonylContact O-C 3.52Å; A157-L161 WeakPolarHBondContact O-CA 3.36Å; A157-L161 WeakPolarHBondContact O-CB 3.33Å; A157-L161 PolarHBondContact O-N 2.99Å; L161-I163 HydrophobicContact CB-CB 4.29Å; L161-I163 HydrophobicContact CB-CD1 3.99Å; L161-I163 HydrophobicContact CB-CG1 3.92Å; L161-I163 HydrophobicContact CD1-CD1 4.49Å; L161-I163 PolarHBondContact O-N 3.22Å; L161-F195 HydrophobicContact CD1-CE2 4.46Å; L161-F195 HydrophobicContact CD1-CZ 3.93Å; L161-F195 HydrophobicContact CD2-CE1 4.4Å; L161-F195 HydrophobicContact CD2-CZ 4.1Å; L161-F204 HydrophobicContact CD1-CD2 4.01Å; L161-F204 HydrophobicContact CD1-CE1 4.44Å; L161-F204 HydrophobicContact CD1-CE2 3.79Å; L161-F204 HydrophobicContact CD1-CG 4.41Å; L161-F204 HydrophobicContact CD1-CZ 4.02Å; L161-F204 HydrophobicContact CD2-CD2 3.74Å; L161-F204 HydrophobicContact CD2-CE2 4.18Å; L161-F204 HydrophobicContact CD2-CG 4.32Å; L161-F204 HydrophobicContact CG-CD2 3.8Å; L161-F204 HydrophobicContact CG-CE2 3.7Å; L161-F204 HydrophobicContact CG-CZ 4.41Å; L161-I302 HydrophobicContact CD2-CD1 4.4Å; L161-Y304 HydrophobicContact CD2-CD2 3.37Å; L161-Y304 HydrophobicContact CD2-CE2 3.66Å; L161-Y304 HydrophobicContact CD2-CG 4.44Å
162	G	84.5	Confident	92.3	Very high	62 Å²	62	42 Å²	42	64%	0.639	23%	0.234	S	C	*	.			trans	67.2	23.4	-170.7	0	0	0	0	0	113.1	A157 N158	A157-G162 PolarHBondContact O-N 3.09Å; N158-G162 WeakPolarHBondContact O-CA 3.4Å; N158-G162 PolarHBondContact O-N 2.82Å
163	I	87.4	Confident	92.4	Very high	30 Å²	30	41.9 Å²	41.9	15%	0.154	23%	0.234	C	C	.	.			trans	-112.9	122.2	-176	-57	176	0	0	0	109.5	A157 N158 L161 I165 L189 P190 I302	A157-I163 CarbonylContact C-O 3.35Å; A157-I163 PolarHBondContact O-N 3.07Å; N158-I163 PolarHBondContact N-O 3.22Å; L161-I163 HydrophobicContact CB-CB 4.29Å; L161-I163 HydrophobicContact CB-CD1 3.99Å; L161-I163 HydrophobicContact CB-CG1 3.92Å; L161-I163 HydrophobicContact CD1-CD1 4.49Å; L161-I163 PolarHBondContact O-N 3.22Å; I163-I165 HydrophobicContact CG2-CD1 4.4Å; I163-I165 HydrophobicContact CG2-CG1 3.78Å; I163-L189 HydrophobicContact CD1-CD1 4.47Å; I163-P190 HydrophobicContact CG2-CG 4.21Å; I163-I302 HydrophobicContact CD1-CD1 4.13Å
164	E	91	Very high	92.4	Very high	159 Å²	159	43.3 Å²	43.3	74%	0.743	24%	0.242	S	C	*	.			trans	-80.8	126.4	167	-68	-178.5	-179.5	0	0	110	N158 P190	N158-E164 WeakPolarHBondContact ND2-CG 3.4Å; E164-P190 WeakPolarHBondContact O-CG 3.44Å
165	I	93.2	Very high	92.5	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.097	23%	0.233	C	C	.	.			trans	-123.8	135.2	-177.9	-56	169.9	0	0	0	107.9	F153 L154 A157 I163 C169 V187 L189	F153-I165 HydrophobicContact CE1-CD1 4.02Å; F153-I165 HydrophobicContact CE1-CG2 4.49Å; F153-I165 HydrophobicContact CE2-CD1 4.36Å; F153-I165 HydrophobicContact CZ-CD1 3.49Å; F153-I165 VanDerWaalsContact CZ-CD1 3.49Å; L154-I165 HydrophobicContact CD2-CB 3.62Å; L154-I165 HydrophobicContact CD2-CG2 3.84Å; L154-I165 VanDerWaalsContact CD2-O 3.27Å; L154-I165 WeakPolarHBondContact CD2-O 3.23Å; A157-I165 HydrophobicContact CB-CD1 3.6Å; A157-I165 HydrophobicContact CB-CG1 4.44Å; I163-I165 HydrophobicContact CG2-CD1 4.4Å; I163-I165 HydrophobicContact CG2-CG1 3.78Å; I165-C169 HydrophobicContact CG2-CB 3.76Å; I165-V187 HydrophobicContact CD1-CG1 4.38Å; I165-V187 HydrophobicContact CG2-CG1 4.26Å; I165-L189 HydrophobicContact CD1-CD2 3.36Å; I165-L189 HydrophobicContact CG1-CD2 4.11Å
166	S	93.2	Very high	92.7	Very high	57 Å²	57	39.8 Å²	39.8	40%	0.399	23%	0.228	S	C	.	.			trans	-94	155.8	172.9	50.8	0	0	0	0	110.8	D168 C169	S166-D168 WeakPolarHBondContact CB-OD1 3.23Å; S166-D168 PolarHBondContact O-N 2.81Å; S166-D168 PolarHBondContact OG-OD1 3.01Å; S166-C169 VanDerWaalsContact O-CB 3.27Å; S166-C169 WeakPolarHBondContact O-CB 3.15Å; S166-C169 PolarHBondContact O-N 3.04Å; S166-C169 PolarHBondContact OG-SG 2.99Å; S166-C169 VanDerWaalsContact OG-SG 3.37Å
167	T	94.1	Very high	92.9	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.46	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.4	-25.5	-176.5	53.7	0	0	0	0	113.2	V150 L154 C169 I170 S273	V150-T167 HydrophobicContact CG1-CG2 4.14Å; L154-T167 HydrophobicContact CD1-CG2 4.06Å; T167-C169 PolarHBondContact O-N 3.24Å; T167-I170 PolarHBondContact O-N 3.25Å; T167-S273 PolarHBondContact O-OG 2.78Å
168	D	93.9	Very high	93.1	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.193	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-75.3	-0.6	174.1	68.8	-26.4	0	0	0	113.5	S166 S273 F274 N277	S166-D168 WeakPolarHBondContact CB-OD1 3.23Å; S166-D168 PolarHBondContact O-N 2.81Å; S166-D168 PolarHBondContact OG-OD1 3.01Å; D168-S273 WeakPolarHBondContact CB-O 3.22Å; D168-F274 WeakPolarHBondContact O-CA 3.29Å; D168-F274 WeakPolarHBondContact O-CD2 3.32Å; D168-N277 PolarHBondContact OD2-ND2 2.79Å
169	C	95.2	Very high	93.4	Very high	20 Å²	20	53.4 Å²	53.4	14%	0.135	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-86.9	-4.7	166.6	-65.8	0	0	0	0	113.2	I165 S166 T167 H188	I165-C169 HydrophobicContact CG2-CB 3.76Å; S166-C169 VanDerWaalsContact O-CB 3.27Å; S166-C169 WeakPolarHBondContact O-CB 3.15Å; S166-C169 PolarHBondContact O-N 3.04Å; S166-C169 PolarHBondContact OG-SG 2.99Å; S166-C169 VanDerWaalsContact OG-SG 3.37Å; T167-C169 PolarHBondContact O-N 3.24Å; C169-H188 WeakPolarHBondContact CB-O 3.22Å; C169-H188 PolarHBondContact O-N 3.45Å
170	I	97.4	Very high	94	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.4	-174.4	-52.2	176.7	0	0	0	109.7	V150 F153 L154 T167 L185 V187	V150-I170 HydrophobicContact CB-CD1 4.5Å; V150-I170 HydrophobicContact CG1-CD1 3.66Å; V150-I170 HydrophobicContact CG2-CD1 4.14Å; F153-I170 HydrophobicContact CD1-CD1 4.03Å; F153-I170 HydrophobicContact CE1-CD1 3.95Å; L154-I170 HydrophobicContact CD2-CD1 4.44Å; T167-I170 PolarHBondContact O-N 3.25Å; I170-L185 HydrophobicContact CG2-CB 3.99Å; I170-L185 HydrophobicContact CG2-CD1 4.45Å; I170-L185 HydrophobicContact CG2-CD2 4.34Å; I170-L185 HydrophobicContact CG2-CG 4.5Å; I170-V187 HydrophobicContact CG1-CG1 4.44Å; I170-V187 HydrophobicContact CG1-CG2 4.31Å
171	L	97.7	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.8	170.5	178.2	68.5	0	0	0	109.3	L173 L185 I186 L268 F274 Y275 D290	L171-L173 HydrophobicContact CD1-CD2 4.46Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L171-L173 HydrophobicContact CG-CG 4.49Å; L171-L185 CarbonylContact O-C 3.49Å; L171-L185 WeakPolarHBondContact O-CA 3.24Å; L171-I186 HydrophobicContact CB-CB 4.31Å; L171-I186 HydrophobicContact CD2-CD1 4.39Å; L171-I186 PolarHBondContact N-O 3.44Å; L171-I186 PolarHBondContact O-N 2.89Å; L171-L268 HydrophobicContact CD1-CD1 3.54Å; L171-F274 HydrophobicContact CB-CB 4.46Å; L171-F274 HydrophobicContact CB-CD1 4.15Å; L171-F274 HydrophobicContact CB-CD2 4.12Å; L171-F274 HydrophobicContact CB-CE1 4.36Å; L171-F274 HydrophobicContact CB-CE2 4.39Å; L171-F274 HydrophobicContact CB-CG 4Å; L171-F274 HydrophobicContact CD1-CB 4.28Å; L171-F274 HydrophobicContact CD1-CD1 3.82Å; L171-F274 HydrophobicContact CD1-CE1 4.39Å; L171-F274 HydrophobicContact CD1-CG 4.18Å; L171-Y275 HydrophobicContact CD1-CE2 3.84Å; L171-D290 HydrophobicContact CD2-CB 4.16Å
172	D	98.1	Very high	95.1	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.2	-176.7	-170.1	-10.6	0	0	0	111.3	R183 L185 A269 C272	D172-R183 IonicContact OD1-CZ 3.39Å; D172-R183 IonicContact OD1-NE 3.05Å; D172-R183 PolarHBondContact OD1-NE 3.45Å; D172-R183 IonicContact OD1-NH2 2.88Å; D172-R183 PolarHBondContact OD1-NH2 3.11Å; D172-R183 IonicContact OD2-CZ 3.56Å; D172-R183 IonicContact OD2-NE 2.62Å; D172-R183 PolarHBondContact OD2-NE 2.9Å; D172-R183 IonicContact OD2-NH2 2.66Å; D172-R183 PolarHBondContact OD2-NH2 2.83Å; D172-L185 HydrophobicContact CB-CD2 3.8Å; D172-L185 VanDerWaalsContact OD1-CD2 3.32Å; D172-L185 WeakPolarHBondContact OD1-CD2 3.26Å; D172-A269 HydrophobicContact CB-CB 4.12Å; D172-A269 PolarHBondContact O-N 3.36Å; D172-C272 HydrophobicContact CB-CB 4Å; D172-C272 PolarHBondContact N-SG 3.12Å; D172-C272 VanDerWaalsContact N-SG 3.41Å
173	L	98.6	Very high	95.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.8	179.1	-56.2	180	0	0	0	111.6	L171 R183 H184 I186 Y255 L266 T267 L268 I287	L171-L173 HydrophobicContact CD1-CD2 4.46Å; L171-L173 HydrophobicContact CG-CD2 4.32Å; L171-L173 HydrophobicContact CG-CG 4.49Å; L173-R183 CarbonylContact O-C 3.4Å; L173-R183 VanDerWaalsContact O-CA 3.25Å; L173-R183 WeakPolarHBondContact O-CA 3.18Å; L173-H184 HydrophobicContact CB-CB 4.25Å; L173-H184 PolarHBondContact N-O 3.48Å; L173-H184 PolarHBondContact O-N 3.24Å; L173-I186 HydrophobicContact CD1-CD1 3.93Å; L173-I186 HydrophobicContact CG-CD1 4.23Å; L173-Y255 HydrophobicContact CD2-CD2 3.99Å; L173-L266 HydrophobicContact CB-CB 4.43Å; L173-L266 HydrophobicContact CB-CD2 4Å; L173-T267 CarbonylContact C-O 3.54Å; L173-T267 WeakPolarHBondContact CA-O 3.45Å; L173-L268 HydrophobicContact CD2-CD1 4.34Å; L173-I287 HydrophobicContact CD2-CG2 4.09Å
174	D	98.4	Very high	96.3	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.2	-177.7	-158.1	-32.6	0	0	0	112.2	T176 R183 L266 T267 A269	D174-T176 WeakPolarHBondContact OD1-CA 3.27Å; D174-T176 WeakPolarHBondContact OD1-CB 3.33Å; D174-T176 PolarHBondContact OD1-N 2.86Å; D174-T176 PolarHBondContact OD1-OG1 3.06Å; D174-R183 VanDerWaalsContact CG-CD 3.5Å; D174-R183 IonicContact OD2-CZ 3.33Å; D174-R183 IonicContact OD2-NE 2.69Å; D174-R183 IonicContact OD2-NH1 3.42Å; D174-R183 PolarHBondContact OD2-NH1 2.77Å; D174-L266 CarbonylContact O-C 3.56Å; D174-L266 WeakPolarHBondContact O-CA 3.33Å; D174-T267 PolarHBondContact N-O 3.37Å; D174-T267 PolarHBondContact O-N 3.47Å; D174-T267 PolarHBondContact O-OG1 3Å; D174-A269 HydrophobicContact CB-CB 4.1Å
175	S	97.8	Very high	96.7	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	19%	0.189	C	C	.	.			trans	-138	26.5	167.2	66.3	0	0	0	0	113	S182 R253 N264	S175-S182 PolarHBondContact N-O 3.25Å; S175-S182 WeakPolarHBondContact OG-CB 3.19Å; S175-S182 PolarHBondContact OG-OG 2.68Å; S175-S182 VanDerWaalsContact OG-OG 3.12Å; S175-R253 PolarHBondContact OG-NH2 2.68Å; S175-N264 PolarHBondContact O-ND2 2.95Å
176	T	97.6	Very high	96.9	Very high	48 Å²	48	34.4 Å²	34.4	29%	0.294	18%	0.184	S	C	.	.			trans	-57.5	140.9	177.9	-60.5	0	0	0	0	110.8	F134 D174 K180 F181 S182	F134-T176 HydrophobicContact CE2-CG2 3.96Å; F134-T176 HydrophobicContact CZ-CG2 4.03Å; D174-T176 WeakPolarHBondContact OD1-CA 3.27Å; D174-T176 WeakPolarHBondContact OD1-CB 3.33Å; D174-T176 PolarHBondContact OD1-N 2.86Å; D174-T176 PolarHBondContact OD1-OG1 3.06Å; T176-K180 CarbonylContact C-O 3.6Å; T176-K180 WeakPolarHBondContact CA-O 3.46Å; T176-F181 HydrophobicContact CG2-CD2 4.45Å; T176-S182 PolarHBondContact OG1-N 3.18Å
177	T	96.6	Very high	97.2	Very high	48 Å²	48	31.8 Å²	31.8	29%	0.294	17%	0.165	S	C	.	.			trans	-125.7	176.2	174.6	70	0	0	0	0	109.5	F134 E179 K180 N264	F134-T177 VanDerWaalsContact CE2-O 3.25Å; F134-T177 WeakPolarHBondContact CE2-O 3.47Å; T177-E179 PolarHBondContact O-N 3.21Å; T177-E179 VanDerWaalsContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-N 3.34Å; T177-K180 PolarHBondContact N-O 3.03Å; T177-K180 PolarHBondContact O-N 2.7Å; T177-K180 PolarHBondContact OG1-N 3.16Å; T177-N264 HydrophobicContact CG2-CB 3.68Å
178	E	95	Very high	97.3	Very high	191 Å²	191	30 Å²	30	89%	0.893	15%	0.152	S	C	*	.	S	Bend	trans	-60	-23	173.6	-61.9	176.5	-176.8	0	0	113.3	F134	F134-E178 WeakPolarHBondContact CD2-O 3.38Å
179	E	95.4	Very high	97.4	Very high	145 Å²	145	28.6 Å²	28.6	68%	0.678	15%	0.145	S	C	*	.	S	Bend	trans	-95.7	-31.6	-178.4	-62.3	-177.1	171	0	0	113.4	F134 T177	F134-E179 PolarHBondContact N-O 2.94Å; F134-E179 VanDerWaalsContact N-O 3.13Å; T177-E179 PolarHBondContact O-N 3.21Å; T177-E179 VanDerWaalsContact O-N 3.15Å; T177-E179 PolarHBondContact OG1-N 3.34Å
180	K	96.4	Very high	97.2	Very high	28 Å²	28	29.5 Å²	29.5	12%	0.122	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125.7	-165.5	179.8	172.1	-174.8	161.2	0	111.8	E131 Y133 T176 T177	E131-K180 IonicContact OE1-NZ 3.55Å; E131-K180 PolarHBondContact OE1-NZ 2.9Å; E131-K180 WeakPolarHBondContact OE2-CE 3.3Å; E131-K180 IonicContact OE2-NZ 3.68Å; E131-K180 PolarHBondContact OE2-NZ 3.15Å; Y133-K180 HydrophobicContact CD1-CB 4.12Å; Y133-K180 HydrophobicContact CD1-CG 4.42Å; Y133-K180 HydrophobicContact CE1-CB 4.1Å; Y133-K180 HydrophobicContact CE1-CD 3.94Å; Y133-K180 HydrophobicContact CE1-CG 4.25Å; T176-K180 CarbonylContact C-O 3.6Å; T176-K180 WeakPolarHBondContact CA-O 3.46Å; T177-K180 PolarHBondContact N-O 3.03Å; T177-K180 PolarHBondContact O-N 2.7Å; T177-K180 PolarHBondContact OG1-N 3.16Å
181	F	98	Very high	96.9	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.7	162.4	176.9	-94.8	0	0	0	110	L130 E131 F132 F134 V146 T176 R183 L240	L130-F181 HydrophobicContact CB-CE1 4.24Å; E131-F181 VanDerWaalsContact CA-O 3.3Å; E131-F181 WeakPolarHBondContact CA-O 3.27Å; E131-F181 WeakPolarHBondContact CB-O 3.5Å; F132-F181 HydrophobicContact CD1-CB 3.63Å; F132-F181 AromaticContact CD1-CD1 3.43Å; F132-F181 HydrophobicContact CD1-CD1 3.43Å; F132-F181 VanDerWaalsContact CD1-CD1 3.43Å; F132-F181 HydrophobicContact CD1-CE1 4.31Å; F132-F181 AromaticContact CD1-CG 3.73Å; F132-F181 HydrophobicContact CD1-CG 3.73Å; F132-F181 HydrophobicContact CD2-CB 4.14Å; F132-F181 HydrophobicContact CE1-CB 3.39Å; F132-F181 AromaticContact CE1-CD1 3.29Å; F132-F181 HydrophobicContact CE1-CD1 3.29Å; F132-F181 HydrophobicContact CE1-CD2 4Å; F132-F181 HydrophobicContact CE1-CE1 4.03Å; F132-F181 AromaticContact CE1-CG 3.26Å; F132-F181 HydrophobicContact CE1-CG 3.26Å; F132-F181 HydrophobicContact CE2-CB 3.9Å; F132-F181 HydrophobicContact CG-CB 4.03Å; F132-F181 HydrophobicContact CG-CD1 4.48Å; F132-F181 HydrophobicContact CZ-CB 3.53Å; F132-F181 HydrophobicContact CZ-CD1 4.25Å; F132-F181 HydrophobicContact CZ-CD2 4.28Å; F132-F181 AromaticContact CZ-CG 3.76Å; F132-F181 HydrophobicContact CZ-CG 3.76Å; F132-F181 PolarHBondContact N-O 3.32Å; F132-F181 PolarHBondContact O-N 3.42Å; F134-F181 HydrophobicContact CE1-CB 4.3Å; F134-F181 HydrophobicContact CE2-CB 4.17Å; F134-F181 HydrophobicContact CZ-CB 3.77Å; V146-F181 HydrophobicContact CG2-CE2 4.49Å; V146-F181 HydrophobicContact CG2-CZ 3.66Å; T176-F181 HydrophobicContact CG2-CD2 4.45Å; F181-R183 HydrophobicContact CE1-CB 4.37Å; F181-R183 HydrophobicContact CE1-CG 3.87Å; F181-R183 HydrophobicContact CE2-CG 3.75Å; F181-R183 HydrophobicContact CZ-CB 4.18Å; F181-R183 HydrophobicContact CZ-CG 3.28Å; F181-L240 HydrophobicContact CD1-CD1 4.1Å; F181-L240 HydrophobicContact CE1-CD1 4.02Å
182	S	98.1	Very high	96.6	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	114.4	179.7	-177.3	0	0	0	0	112.2	L130 S175 T176	L130-S182 WeakPolarHBondContact O-CA 3.24Å; S175-S182 PolarHBondContact N-O 3.25Å; S175-S182 WeakPolarHBondContact OG-CB 3.19Å; S175-S182 PolarHBondContact OG-OG 2.68Å; S175-S182 VanDerWaalsContact OG-OG 3.12Å; T176-S182 PolarHBondContact OG1-N 3.18Å
183	R	98.5	Very high	96.5	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	178.1	-62.2	-72.7	-91.1	-100.2	-15.9	111.3	L130 E143 V146 D172 L173 D174 F181 A269 S271	L130-R183 HydrophobicContact CB-CB 4.28Å; L130-R183 PolarHBondContact N-O 3.5Å; L130-R183 PolarHBondContact O-N 3.41Å; E143-R183 IonicContact OE1-CZ 3.47Å; E143-R183 IonicContact OE1-NH1 3.62Å; E143-R183 PolarHBondContact OE1-NH1 2.94Å; E143-R183 IonicContact OE1-NH2 2.78Å; E143-R183 PolarHBondContact OE1-NH2 3.44Å; E143-R183 IonicContact OE2-NH2 2.72Å; V146-R183 HydrophobicContact CG2-CG 4.08Å; D172-R183 IonicContact OD1-CZ 3.39Å; D172-R183 IonicContact OD1-NE 3.05Å; D172-R183 PolarHBondContact OD1-NE 3.45Å; D172-R183 IonicContact OD1-NH2 2.88Å; D172-R183 PolarHBondContact OD1-NH2 3.11Å; D172-R183 IonicContact OD2-CZ 3.56Å; D172-R183 IonicContact OD2-NE 2.62Å; D172-R183 PolarHBondContact OD2-NE 2.9Å; D172-R183 IonicContact OD2-NH2 2.66Å; D172-R183 PolarHBondContact OD2-NH2 2.83Å; L173-R183 CarbonylContact O-C 3.4Å; L173-R183 VanDerWaalsContact O-CA 3.25Å; L173-R183 WeakPolarHBondContact O-CA 3.18Å; D174-R183 VanDerWaalsContact CG-CD 3.5Å; D174-R183 IonicContact OD2-CZ 3.33Å; D174-R183 IonicContact OD2-NE 2.69Å; D174-R183 IonicContact OD2-NH1 3.42Å; D174-R183 PolarHBondContact OD2-NH1 2.77Å; F181-R183 HydrophobicContact CE1-CB 4.37Å; F181-R183 HydrophobicContact CE1-CG 3.87Å; F181-R183 HydrophobicContact CE2-CG 3.75Å; F181-R183 HydrophobicContact CZ-CB 4.18Å; F181-R183 HydrophobicContact CZ-CG 3.28Å; R183-A269 VanDerWaalsContact NH2-CB 3.3Å; R183-S271 PolarHBondContact NH2-OG 3.39Å
184	H	98.7	Very high	96.5	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.7	166.6	-67.8	-173.6	0	0	0	109.2	F128 D129 L173 I186 F252 L266	F128-H184 CarbonylContact O-C 3.48Å; F128-H184 VanDerWaalsContact O-CA 3.3Å; F128-H184 WeakPolarHBondContact O-CA 3.1Å; D129-H184 IonicContact OD1-CD2 3.64Å; D129-H184 PolarHBondContact OD1-CD2 3.35Å; D129-H184 IonicContact OD1-NE2 2.68Å; D129-H184 IonicContact OD2-NE2 3.9Å; L173-H184 HydrophobicContact CB-CB 4.25Å; L173-H184 PolarHBondContact N-O 3.48Å; L173-H184 PolarHBondContact O-N 3.24Å; H184-I186 HydrophobicContact CB-CD1 4.29Å; H184-F252 HydrophobicContact CB-CE1 4.09Å; H184-F252 HydrophobicContact CB-CZ 4.24Å; H184-F252 AromaticContact CD2-CZ 3.8Å; H184-F252 AromaticContact CE1-CD1 3.92Å; H184-F252 AromaticContact CE1-CE1 3.42Å; H184-F252 VanDerWaalsContact CE1-CE1 3.42Å; H184-F252 WeakPolarHBondContact CE1-CE1 3.49Å; H184-F252 AromaticContact CE1-CE2 3.98Å; H184-F252 AromaticContact CE1-CZ 3.44Å; H184-F252 VanDerWaalsContact CE1-CZ 3.44Å; H184-F252 WeakPolarHBondContact CE1-CZ 3.38Å; H184-F252 AromaticContact CG-CE1 3.59Å; H184-F252 AromaticContact CG-CZ 3.59Å; H184-F252 AromaticContact ND1-CD1 3.77Å; H184-F252 AromaticContact ND1-CE1 3.04Å; H184-F252 WeakPolarHBondContact ND1-CE1 3.47Å; H184-F252 AromaticContact ND1-CZ 3.38Å; H184-F252 WeakPolarHBondContact ND1-CZ 3.19Å; H184-F252 AromaticContact NE2-CZ 3.77Å; H184-L266 HydrophobicContact CB-CD2 4.33Å; H184-L266 VanDerWaalsContact CE1-CD1 3.45Å; H184-L266 WeakPolarHBondContact CE1-CD1 3.46Å; H184-L266 VanDerWaalsContact ND1-CD1 3.35Å; H184-L266 WeakPolarHBondContact ND1-CD1 3.5Å
185	L	98.7	Very high	96.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.2	172.9	-52.7	-176.2	0	0	0	109.2	Y127 F128 L130 V146 F149 V150 I170 L171 D172	Y127-L185 CarbonylContact C-O 3.55Å; Y127-L185 WeakPolarHBondContact CA-O 3.49Å; F128-L185 HydrophobicContact CB-CB 4.12Å; F128-L185 HydrophobicContact CD2-CB 4.02Å; F128-L185 PolarHBondContact N-O 3.32Å; F128-L185 PolarHBondContact O-N 3.38Å; L130-L185 HydrophobicContact CD1-CD1 3.7Å; L130-L185 HydrophobicContact CD1-CG 4.07Å; V146-L185 HydrophobicContact CG1-CD2 4.42Å; F149-L185 HydrophobicContact CD1-CD1 3.96Å; F149-L185 HydrophobicContact CE1-CD1 4.17Å; V150-L185 HydrophobicContact CG2-CD1 4.1Å; I170-L185 HydrophobicContact CG2-CB 3.99Å; I170-L185 HydrophobicContact CG2-CD1 4.45Å; I170-L185 HydrophobicContact CG2-CD2 4.34Å; I170-L185 HydrophobicContact CG2-CG 4.5Å; L171-L185 CarbonylContact O-C 3.49Å; L171-L185 WeakPolarHBondContact O-CA 3.24Å; D172-L185 HydrophobicContact CB-CD2 3.8Å; D172-L185 VanDerWaalsContact OD1-CD2 3.32Å; D172-L185 WeakPolarHBondContact OD1-CD2 3.26Å
186	I	98.6	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.6	175.9	-57.1	89.8	0	0	0	108.2	R125 L171 L173 H184 I293	R125-I186 HydrophobicContact CB-CG2 4.14Å; L171-I186 HydrophobicContact CB-CB 4.31Å; L171-I186 HydrophobicContact CD2-CD1 4.39Å; L171-I186 PolarHBondContact N-O 3.44Å; L171-I186 PolarHBondContact O-N 2.89Å; L173-I186 HydrophobicContact CD1-CD1 3.93Å; L173-I186 HydrophobicContact CG-CD1 4.23Å; H184-I186 HydrophobicContact CB-CD1 4.29Å; I186-I293 HydrophobicContact CG1-CG1 4.44Å
187	V	98.1	Very high	96.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.3	-173.9	-171.4	0	0	0	0	110.4	L126 F128 F153 I165 I170 L189	L126-V187 HydrophobicContact CB-CB 4.15Å; L126-V187 HydrophobicContact CB-CG2 4.5Å; L126-V187 HydrophobicContact CD2-CB 4.49Å; L126-V187 HydrophobicContact CD2-CG2 4.3Å; L126-V187 HydrophobicContact CG-CG2 4.37Å; L126-V187 PolarHBondContact O-N 3.2Å; F128-V187 HydrophobicContact CD2-CG2 4.26Å; F128-V187 HydrophobicContact CE2-CG2 3.78Å; F153-V187 HydrophobicContact CE1-CG1 4.18Å; F153-V187 HydrophobicContact CE1-CG2 4Å; F153-V187 HydrophobicContact CZ-CG1 3.99Å; F153-V187 HydrophobicContact CZ-CG2 3.99Å; I165-V187 HydrophobicContact CD1-CG1 4.38Å; I165-V187 HydrophobicContact CG2-CG1 4.26Å; I170-V187 HydrophobicContact CG1-CG1 4.44Å; I170-V187 HydrophobicContact CG1-CG2 4.31Å; V187-L189 HydrophobicContact CG1-CD2 3.94Å; V187-L189 PolarHBondContact O-N 2.94Å
188	H	96.4	Very high	96.2	Very high	38 Å²	38	36.8 Å²	36.8	18%	0.176	19%	0.19	C	C	.	.			trans	-92.3	91.1	170.3	-70.6	-117.9	0	0	0	108.6	R125 C169 F274 D290	R125-H188 PolarHBondContact NE-CE1 2.77Å; C169-H188 WeakPolarHBondContact CB-O 3.22Å; C169-H188 PolarHBondContact O-N 3.45Å; H188-F274 HydrophobicContact CB-CE2 4.01Å; H188-F274 HydrophobicContact CB-CZ 4.37Å; H188-F274 AromaticContact CD2-CE2 3.49Å; H188-F274 VanDerWaalsContact CD2-CE2 3.49Å; H188-F274 WeakPolarHBondContact CD2-CE2 3.44Å; H188-F274 AromaticContact CD2-CZ 3.44Å; H188-F274 VanDerWaalsContact CD2-CZ 3.44Å; H188-F274 WeakPolarHBondContact CD2-CZ 3.44Å; H188-F274 AromaticContact CE1-CZ 3.8Å; H188-F274 AromaticContact CG-CE2 3.74Å; H188-F274 AromaticContact CG-CZ 3.69Å; H188-F274 AromaticContact ND1-CZ 3.94Å; H188-F274 AromaticContact NE2-CZ 3.54Å; H188-D290 PolarHBondContact CE1-O 3.13Å; H188-D290 IonicContact CE1-OD1 3.7Å; H188-D290 PolarHBondContact NE2-O 3.33Å
189	L	95.6	Very high	96.1	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-58.5	145.9	179.4	-60.7	174.2	0	0	0	110.8	I163 I165 V187 T193 F195 I302	I163-L189 HydrophobicContact CD1-CD1 4.47Å; I165-L189 HydrophobicContact CD1-CD2 3.36Å; I165-L189 HydrophobicContact CG1-CD2 4.11Å; V187-L189 HydrophobicContact CG1-CD2 3.94Å; V187-L189 PolarHBondContact O-N 2.94Å; L189-T193 HydrophobicContact CB-CG2 4.45Å; L189-T193 WeakPolarHBondContact CB-O 3.29Å; L189-T193 HydrophobicContact CD1-CG2 4.11Å; L189-F195 HydrophobicContact CD1-CD2 4.26Å; L189-F195 HydrophobicContact CD1-CE2 4.03Å; L189-I302 HydrophobicContact CD1-CD1 4.16Å
190	P	92.5	Very high	96	Very high	38 Å²	38	25.1 Å²	25.1	25%	0.247	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-53.6	157.3	-179.6	-26.2	33	0	0	0	113.5	I163 E164 G192 T193	I163-P190 HydrophobicContact CG2-CG 4.21Å; E164-P190 WeakPolarHBondContact O-CG 3.44Å; P190-G192 PolarHBondContact O-N 3.21Å; P190-G192 VanDerWaalsContact O-N 3.13Å; P190-T193 WeakPolarHBondContact O-CB 3.38Å; P190-T193 PolarHBondContact O-N 3.09Å; P190-T193 PolarHBondContact O-OG1 3.39Å
191	N	90.3	Very high	96	Very high	126 Å²	126	23.8 Å²	23.8	67%	0.674	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	59.7	21.6	176.2	-56.3	-42.4	0	0	0	115	T193 K299	N191-T193 VanDerWaalsContact C-N 3.33Å; N191-K299 WeakPolarHBondContact O-CD 3.35Å
192	G	92.2	Very high	95.9	Very high	34 Å²	34	23.5 Å²	23.5	35%	0.351	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	67.8	35.9	-178.8	0	0	0	0	0	112.3	P190 K299 H300	P190-G192 PolarHBondContact O-N 3.21Å; P190-G192 VanDerWaalsContact O-N 3.13Å; G192-K299 PolarHBondContact O-N 2.8Å; G192-H300 PolarHBondContact O-N 2.91Å
193	T	95.7	Very high	95.6	Very high	22 Å²	22	24.2 Å²	24.2	14%	0.135	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142	178.8	-54.8	0	0	0	0	110.2	L189 P190 N191 H300 I302	L189-T193 HydrophobicContact CB-CG2 4.45Å; L189-T193 WeakPolarHBondContact CB-O 3.29Å; L189-T193 HydrophobicContact CD1-CG2 4.11Å; P190-T193 WeakPolarHBondContact O-CB 3.38Å; P190-T193 PolarHBondContact O-N 3.09Å; P190-T193 PolarHBondContact O-OG1 3.39Å; N191-T193 VanDerWaalsContact C-N 3.33Å; T193-H300 WeakPolarHBondContact CA-O 3.43Å; T193-I302 HydrophobicContact CG2-CB 4.47Å; T193-I302 HydrophobicContact CG2-CD1 4.3Å; T193-I302 HydrophobicContact CG2-CG1 4.16Å; T193-I302 HydrophobicContact CG2-CG2 3.62Å
194	V	97.5	Very high	95.4	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.2	175.6	-63.6	0	0	0	0	110.1	P123 C124 R125 A295 Y298 H300 S301 I302	P123-V194 HydrophobicContact CB-CG2 3.82Å; C124-V194 WeakPolarHBondContact O-CB 3.4Å; R125-V194 HydrophobicContact CG-CG1 4.43Å; V194-A295 HydrophobicContact CB-CB 4.36Å; V194-A295 HydrophobicContact CG1-CB 3.72Å; V194-A295 HydrophobicContact CG2-CB 4.47Å; V194-Y298 HydrophobicContact CG1-CG 4.43Å; V194-Y298 HydrophobicContact CG2-CD1 4.01Å; V194-Y298 HydrophobicContact CG2-CD2 3.64Å; V194-Y298 HydrophobicContact CG2-CE2 4.28Å; V194-Y298 HydrophobicContact CG2-CG 3.49Å; V194-Y298 VanDerWaalsContact CG2-CG 3.49Å; V194-H300 PolarHBondContact N-O 3.15Å; V194-S301 CarbonylContact O-C 3.46Å; V194-S301 VanDerWaalsContact O-CA 3.23Å; V194-S301 WeakPolarHBondContact O-CA 3.45Å; V194-I302 WeakPolarHBondContact O-CG1 3.5Å; V194-I302 PolarHBondContact O-N 3.28Å
195	F	97.2	Very high	95.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	147.4	168.8	-80.3	-98	0	0	0	109.8	P123 C124 L126 L161 L189 N197 E200 A201 F204 I302 Y304	P123-F195 VanDerWaalsContact CA-O 3.32Å; P123-F195 WeakPolarHBondContact CA-O 3.44Å; C124-F195 PolarHBondContact N-O 2.81Å; C124-F195 PolarHBondContact O-N 3.46Å; L126-F195 HydrophobicContact CB-CD2 4.06Å; L126-F195 HydrophobicContact CB-CE2 3.85Å; L126-F195 HydrophobicContact CD1-CE2 4.13Å; L126-F195 HydrophobicContact CD2-CE2 4.22Å; L126-F195 HydrophobicContact CG-CE2 4.3Å; L161-F195 HydrophobicContact CD1-CE2 4.46Å; L161-F195 HydrophobicContact CD1-CZ 3.93Å; L161-F195 HydrophobicContact CD2-CE1 4.4Å; L161-F195 HydrophobicContact CD2-CZ 4.1Å; L189-F195 HydrophobicContact CD1-CD2 4.26Å; L189-F195 HydrophobicContact CD1-CE2 4.03Å; F195-N197 PolarHBondContact O-N 2.97Å; F195-E200 HydrophobicContact CD1-CB 4.36Å; F195-A201 HydrophobicContact CB-CB 3.96Å; F195-A201 HydrophobicContact CD1-CB 4.07Å; F195-A201 HydrophobicContact CD2-CB 4.05Å; F195-A201 HydrophobicContact CG-CB 3.76Å; F195-F204 HydrophobicContact CE1-CB 3.91Å; F195-F204 HydrophobicContact CE1-CG 4.49Å; F195-F204 HydrophobicContact CZ-CB 3.94Å; F195-F204 HydrophobicContact CZ-CD1 4.15Å; F195-F204 HydrophobicContact CZ-CG 4.04Å; F195-I302 HydrophobicContact CD1-CD1 4.44Å; F195-I302 HydrophobicContact CD1-CG1 4.34Å; F195-I302 HydrophobicContact CD2-CD1 4.46Å; F195-I302 HydrophobicContact CE1-CD1 4.21Å; F195-I302 HydrophobicContact CE2-CD1 4.21Å; F195-I302 HydrophobicContact CG-CG1 4.38Å; F195-I302 HydrophobicContact CZ-CD1 4.1Å; F195-Y304 HydrophobicContact CE1-CG 4.33Å
196	K	95.4	Very high	94.9	Very high	97 Å²	97	27.5 Å²	27.5	42%	0.422	15%	0.148	S	C	.	.	S	Bend	trans	-55.9	-34.7	177.4	-179.5	171	168.3	-168.3	0	112.9	E122 P123 E200 I302 S303	E122-K196 CarbonylContact C-O 3.59Å; P123-K196 WeakPolarHBondContact CA-O 3.42Å; K196-E200 WeakPolarHBondContact CD-OE1 3.41Å; K196-I302 WeakPolarHBondContact CB-O 3.31Å; K196-I302 PolarHBondContact N-O 3.36Å; K196-S303 WeakPolarHBondContact CD-OG 3.41Å
197	N	95.2	Very high	94.5	Very high	19 Å²	19	28 Å²	28	10%	0.102	15%	0.15	C	C	.	.	S	Bend	trans	-164.2	170.9	172.7	55.6	70.7	0	0	0	111.2	E122 C124 F195 N199 E200 A201	E122-N197 VanDerWaalsContact O-CA 3.28Å; E122-N197 WeakPolarHBondContact O-CA 3.18Å; C124-N197 VanDerWaalsContact SG-C 3.55Å; F195-N197 PolarHBondContact O-N 2.97Å; N197-N199 PolarHBondContact O-N 3.46Å; N197-N199 WeakPolarHBondContact OD1-CB 3.47Å; N197-N199 PolarHBondContact OD1-N 3.29Å; N197-N199 VanDerWaalsContact OD1-N 3.09Å; N197-E200 PolarHBondContact ND2-OE1 3.44Å; N197-E200 PolarHBondContact O-N 3.45Å; N197-E200 PolarHBondContact OD1-N 3.44Å; N197-A201 PolarHBondContact O-N 3.06Å; N197-A201 VanDerWaalsContact O-N 3.13Å
198	N	96.1	Very high	94.3	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-26.7	-178.2	83.5	-25.8	0	0	0	114.1	I118 C124 G202 Y246 T247	I118-N198 HydrophobicContact CG2-CB 3.8Å; C124-N198 WeakPolarHBondContact SG-CA 3.14Å; C124-N198 PolarHBondContact SG-N 3.44Å; C124-N198 VanDerWaalsContact SG-N 3.42Å; N198-G202 PolarHBondContact O-N 2.66Å; N198-Y246 VanDerWaalsContact O-CD1 3.23Å; N198-Y246 WeakPolarHBondContact O-CD1 3.44Å; N198-T247 PolarHBondContact ND2-O 2.87Å
199	N	92.8	Very high	94.2	Very high	64 Å²	64	26.2 Å²	26.2	34%	0.342	14%	0.142	S	C	.	.	H	α-helix	trans	-70.3	-39.5	178.2	178.4	50.6	0	0	0	110.5	N197 G202 N203	N197-N199 PolarHBondContact O-N 3.46Å; N197-N199 WeakPolarHBondContact OD1-CB 3.47Å; N197-N199 PolarHBondContact OD1-N 3.29Å; N197-N199 VanDerWaalsContact OD1-N 3.09Å; N199-G202 CarbonylContact O-C 3.53Å; N199-G202 PolarHBondContact O-N 2.97Å; N199-N203 VanDerWaalsContact O-CG 3.22Å; N199-N203 PolarHBondContact O-N 3.22Å; N199-N203 PolarHBondContact O-OD1 3.13Å
200	E	93.6	Very high	93.9	Very high	26 Å²	26	27.5 Å²	27.5	12%	0.121	15%	0.152	C	C	.	.	H	α-helix	trans	-71.7	-35.5	176	-67.6	-177.2	-129.7	0	0	112.6	F195 K196 N197 G202 N203 F204 S303 Y304	F195-E200 HydrophobicContact CD1-CB 4.36Å; K196-E200 WeakPolarHBondContact CD-OE1 3.41Å; N197-E200 PolarHBondContact ND2-OE1 3.44Å; N197-E200 PolarHBondContact O-N 3.45Å; N197-E200 PolarHBondContact OD1-N 3.44Å; E200-G202 VanDerWaalsContact C-N 3.29Å; E200-G202 PolarHBondContact O-N 2.9Å; E200-N203 WeakPolarHBondContact O-CB 3.16Å; E200-N203 PolarHBondContact O-N 3.3Å; E200-F204 PolarHBondContact O-N 2.87Å; E200-S303 WeakPolarHBondContact OE2-CA 3.33Å; E200-S303 VanDerWaalsContact OE2-CB 3.23Å; E200-S303 WeakPolarHBondContact OE2-CB 2.95Å; E200-Y304 PolarHBondContact OE2-N 3.34Å
201	A	96.4	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-43.4	167	0	0	0	0	0	111.2	L126 F195 N197 N203 F204 V205 Y246	L126-A201 HydrophobicContact CD1-CB 4.13Å; F195-A201 HydrophobicContact CB-CB 3.96Å; F195-A201 HydrophobicContact CD1-CB 4.07Å; F195-A201 HydrophobicContact CD2-CB 4.05Å; F195-A201 HydrophobicContact CG-CB 3.76Å; N197-A201 PolarHBondContact O-N 3.06Å; N197-A201 VanDerWaalsContact O-N 3.13Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 3.29Å; A201-F204 PolarHBondContact O-N 3.24Å; A201-V205 PolarHBondContact O-N 3.09Å; A201-Y246 HydrophobicContact CB-CD1 4.33Å; A201-Y246 HydrophobicContact CB-CE1 3.8Å
202	G	95.4	Very high	93.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.3	-32	176.4	0	0	0	0	0	114.2	N198 N199 E200 V205 K206 Y246	N198-G202 PolarHBondContact O-N 2.66Å; N199-G202 CarbonylContact O-C 3.53Å; N199-G202 PolarHBondContact O-N 2.97Å; E200-G202 VanDerWaalsContact C-N 3.29Å; E200-G202 PolarHBondContact O-N 2.9Å; G202-V205 PolarHBondContact O-N 2.87Å; G202-K206 WeakPolarHBondContact O-CB 3.36Å; G202-K206 WeakPolarHBondContact O-CD 3.23Å; G202-K206 WeakPolarHBondContact O-CG 3.29Å; G202-K206 PolarHBondContact O-N 2.85Å; G202-Y246 VanDerWaalsContact CA-CD1 3.45Å
203	N	92.1	Very high	93.9	Very high	18 Å²	18	22.6 Å²	22.6	10%	0.096	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-46.4	173.3	-70.6	-20.2	0	0	0	111	N199 E200 A201 V205 K206 D207 Y304 P306	N199-N203 VanDerWaalsContact O-CG 3.22Å; N199-N203 PolarHBondContact O-N 3.22Å; N199-N203 PolarHBondContact O-OD1 3.13Å; E200-N203 WeakPolarHBondContact O-CB 3.16Å; E200-N203 PolarHBondContact O-N 3.3Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 3.29Å; N203-V205 PolarHBondContact O-N 2.85Å; N203-K206 PolarHBondContact O-N 3.42Å; N203-D207 PolarHBondContact O-N 3.44Å; N203-Y304 HydrophobicContact CB-CD1 3.72Å; N203-Y304 HydrophobicContact CB-CE1 4.17Å; N203-P306 HydrophobicContact CB-CG 3.8Å
204	F	94.3	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.8	164.8	-99	0	0	0	111.7	L126 F153 A157 L160 L161 F195 E200 A201 K206 D207 M208 Y304	L126-F204 HydrophobicContact CD1-CD1 4.05Å; L126-F204 HydrophobicContact CD1-CE1 4.46Å; L126-F204 HydrophobicContact CD2-CD1 4.09Å; L126-F204 HydrophobicContact CD2-CE1 3.77Å; F153-F204 HydrophobicContact CD2-CE1 4.09Å; F153-F204 HydrophobicContact CD2-CZ 4.17Å; F153-F204 AromaticContact CE2-CE1 3.84Å; F153-F204 HydrophobicContact CE2-CE1 3.84Å; F153-F204 HydrophobicContact CE2-CZ 4Å; A157-F204 HydrophobicContact CB-CZ 4.38Å; L160-F204 HydrophobicContact CB-CD2 4.21Å; L160-F204 HydrophobicContact CB-CE2 4.01Å; L160-F204 HydrophobicContact CD1-CD2 4.22Å; L160-F204 HydrophobicContact CD1-CE2 4.03Å; L161-F204 HydrophobicContact CD1-CD2 4.01Å; L161-F204 HydrophobicContact CD1-CE1 4.44Å; L161-F204 HydrophobicContact CD1-CE2 3.79Å; L161-F204 HydrophobicContact CD1-CG 4.41Å; L161-F204 HydrophobicContact CD1-CZ 4.02Å; L161-F204 HydrophobicContact CD2-CD2 3.74Å; L161-F204 HydrophobicContact CD2-CE2 4.18Å; L161-F204 HydrophobicContact CD2-CG 4.32Å; L161-F204 HydrophobicContact CG-CD2 3.8Å; L161-F204 HydrophobicContact CG-CE2 3.7Å; L161-F204 HydrophobicContact CG-CZ 4.41Å; F195-F204 HydrophobicContact CE1-CB 3.91Å; F195-F204 HydrophobicContact CE1-CG 4.49Å; F195-F204 HydrophobicContact CZ-CB 3.94Å; F195-F204 HydrophobicContact CZ-CD1 4.15Å; F195-F204 HydrophobicContact CZ-CG 4.04Å; E200-F204 PolarHBondContact O-N 2.87Å; A201-F204 PolarHBondContact O-N 3.24Å; F204-K206 VanDerWaalsContact C-N 3.34Å; F204-K206 PolarHBondContact O-N 3.27Å; F204-D207 PolarHBondContact O-N 2.92Å; F204-M208 HydrophobicContact CE1-SD 4.48Å; F204-M208 WeakPolarHBondContact O-CB 3.38Å; F204-M208 PolarHBondContact O-N 3.27Å; F204-Y304 HydrophobicContact CB-CD1 3.85Å; F204-Y304 HydrophobicContact CB-CD2 4.13Å; F204-Y304 HydrophobicContact CB-CE1 3.88Å; F204-Y304 HydrophobicContact CB-CE2 4.13Å; F204-Y304 HydrophobicContact CB-CG 3.98Å; F204-Y304 HydrophobicContact CD2-CD2 4.45Å; F204-Y304 AromaticContact CD2-CE2 3.91Å; F204-Y304 HydrophobicContact CD2-CE2 3.91Å
205	V	96	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-40	178.5	175	0	0	0	0	112	L126 F128 A201 G202 N203 M208 C209 Y246	L126-V205 HydrophobicContact CD1-CG2 3.79Å; F128-V205 HydrophobicContact CD1-CG1 4.48Å; F128-V205 HydrophobicContact CD1-CG2 4.17Å; F128-V205 HydrophobicContact CE1-CG1 4.24Å; F128-V205 HydrophobicContact CE1-CG2 3.5Å; F128-V205 VanDerWaalsContact CE1-CG2 3.5Å; F128-V205 HydrophobicContact CZ-CG2 4.23Å; A201-V205 PolarHBondContact O-N 3.09Å; G202-V205 PolarHBondContact O-N 2.87Å; N203-V205 PolarHBondContact O-N 2.85Å; V205-M208 HydrophobicContact CG1-CE 4.35Å; V205-M208 PolarHBondContact O-N 3.47Å; V205-C209 VanDerWaalsContact O-CB 3.24Å; V205-C209 WeakPolarHBondContact O-CB 3.39Å; V205-C209 PolarHBondContact O-N 3.5Å; V205-C209 PolarHBondContact O-SG 3.17Å; V205-Y246 HydrophobicContact CB-CD2 4.49Å; V205-Y246 HydrophobicContact CB-CE2 3.77Å; V205-Y246 HydrophobicContact CG1-CE2 3.88Å; V205-Y246 HydrophobicContact CG2-CE2 3.77Å; V205-Y246 WeakPolarHBondContact CG2-OH 3.44Å
206	K	92.3	Very high	92.6	Very high	79 Å²	79	28.1 Å²	28.1	34%	0.343	15%	0.151	S	C	.	.	H	α-helix	trans	-62.6	-42.1	175.5	-76.1	168.5	-173.5	170.7	0	112.3	G202 N203 F204 C209 S210	G202-K206 WeakPolarHBondContact O-CB 3.36Å; G202-K206 WeakPolarHBondContact O-CD 3.23Å; G202-K206 WeakPolarHBondContact O-CG 3.29Å; G202-K206 PolarHBondContact O-N 2.85Å; N203-K206 PolarHBondContact O-N 3.42Å; F204-K206 VanDerWaalsContact C-N 3.34Å; F204-K206 PolarHBondContact O-N 3.27Å; K206-C209 PolarHBondContact O-N 2.95Å; K206-S210 WeakPolarHBondContact O-CB 3.08Å; K206-S210 PolarHBondContact O-N 2.63Å; K206-S210 PolarHBondContact O-OG 3.31Å
207	D	90.2	Very high	92.5	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-47	175	-74.1	-7.1	0	0	0	111.1	L160 N203 F204 C209 S210 A211 Y304 P306 Q307 F308	L160-D207 HydrophobicContact CD1-CB 4.26Å; N203-D207 PolarHBondContact O-N 3.44Å; F204-D207 PolarHBondContact O-N 2.92Å; D207-C209 PolarHBondContact O-N 2.88Å; D207-S210 PolarHBondContact O-N 3.33Å; D207-A211 WeakPolarHBondContact O-CB 3.38Å; D207-A211 PolarHBondContact O-N 3.42Å; D207-Y304 WeakPolarHBondContact OD2-CE1 3.49Å; D207-Y304 VanDerWaalsContact OD2-CZ 3.29Å; D207-Y304 PolarHBondContact OD2-OH 3.21Å; D207-P306 WeakPolarHBondContact OD2-CA 3.07Å; D207-Q307 PolarHBondContact OD2-N 3Å; D207-F308 HydrophobicContact CB-CB 3.85Å; D207-F308 WeakPolarHBondContact OD1-CB 3.29Å; D207-F308 PolarHBondContact OD1-N 3.29Å; D207-F308 VanDerWaalsContact OD1-N 3.17Å; D207-F308 PolarHBondContact OD2-N 3.29Å
208	M	93.6	Very high	92.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-47.2	176.2	179.3	-172.3	80.8	0	0	112	F128 F149 Y152 F153 K156 F204 V205 L212	F128-M208 HydrophobicContact CE1-CE 3.76Å; F128-M208 HydrophobicContact CZ-CE 4.41Å; F149-M208 HydrophobicContact CE2-CE 3.93Å; F149-M208 HydrophobicContact CZ-CE 3.72Å; Y152-M208 HydrophobicContact CD1-CG 4.15Å; Y152-M208 HydrophobicContact CD1-SD 4.46Å; Y152-M208 HydrophobicContact CE1-CG 3.57Å; Y152-M208 WeakPolarHBondContact CE1-O 3.02Å; Y152-M208 HydrophobicContact CE1-SD 4.44Å; Y152-M208 PolarHBondContact OH-O 3.23Å; F153-M208 HydrophobicContact CB-SD 4.14Å; F153-M208 HydrophobicContact CD2-SD 4.1Å; K156-M208 HydrophobicContact CB-CB 4.4Å; K156-M208 HydrophobicContact CB-CG 3.82Å; K156-M208 HydrophobicContact CB-SD 4.33Å; K156-M208 HydrophobicContact CG-CG 3.9Å; F204-M208 HydrophobicContact CE1-SD 4.48Å; F204-M208 WeakPolarHBondContact O-CB 3.38Å; F204-M208 PolarHBondContact O-N 3.27Å; V205-M208 HydrophobicContact CG1-CE 4.35Å; V205-M208 PolarHBondContact O-N 3.47Å; M208-L212 PolarHBondContact O-N 3.45Å; M208-L212 VanDerWaalsContact O-N 3.09Å
209	C	94.3	Very high	92.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-37.4	178.7	-76.3	0	0	0	0	112.1	V205 K206 D207 L212 K213 L239 E243	V205-C209 VanDerWaalsContact O-CB 3.24Å; V205-C209 WeakPolarHBondContact O-CB 3.39Å; V205-C209 PolarHBondContact O-N 3.5Å; V205-C209 PolarHBondContact O-SG 3.17Å; K206-C209 PolarHBondContact O-N 2.95Å; D207-C209 PolarHBondContact O-N 2.88Å; C209-L212 WeakPolarHBondContact O-CB 3.21Å; C209-L212 PolarHBondContact O-N 2.91Å; C209-K213 WeakPolarHBondContact O-CG 3.41Å; C209-K213 PolarHBondContact O-N 2.71Å; C209-L239 HydrophobicContact CB-CD1 3.52Å; C209-E243 HydrophobicContact CB-CG 4.22Å
210	S	89.5	Confident	92.3	Very high	35 Å²	35	35.2 Å²	35.2	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-39.1	177.8	-57.7	0	0	0	0	111.4	K206 D207 L212 K213 S214 F308	K206-S210 WeakPolarHBondContact O-CB 3.08Å; K206-S210 PolarHBondContact O-N 2.63Å; K206-S210 PolarHBondContact O-OG 3.31Å; D207-S210 PolarHBondContact O-N 3.33Å; S210-L212 PolarHBondContact O-N 2.98Å; S210-K213 PolarHBondContact O-N 3.43Å; S210-S214 PolarHBondContact O-N 3.03Å; S210-S214 PolarHBondContact O-OG 3.34Å; S210-F308 VanDerWaalsContact C-CZ 3.48Å; S210-F308 WeakPolarHBondContact O-CZ 3.35Å
211	A	88.1	Confident	92.4	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-31.1	170.5	0	0	0	0	0	112.8	D207 S214 F308	D207-A211 WeakPolarHBondContact O-CB 3.38Å; D207-A211 PolarHBondContact O-N 3.42Å; A211-S214 PolarHBondContact O-OG 3.49Å; A211-F308 VanDerWaalsContact CA-CE2 3.42Å; A211-F308 HydrophobicContact CB-CD2 4.06Å; A211-F308 HydrophobicContact CB-CE2 3.71Å
212	L	93	Very high	92.3	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-72.1	-45.9	174.7	-176.2	56	0	0	0	110.8	Y152 M208 C209 S210 S214 L215 L225 L228 F229 L239	Y152-L212 HydrophobicContact CD1-CD2 4.33Å; Y152-L212 HydrophobicContact CE1-CB 3.79Å; Y152-L212 HydrophobicContact CE1-CD1 4.25Å; Y152-L212 HydrophobicContact CE1-CD2 4.09Å; Y152-L212 HydrophobicContact CE1-CG 4.26Å; Y152-L212 HydrophobicContact CE2-CD1 4.3Å; Y152-L212 WeakPolarHBondContact OH-CA 3.32Å; Y152-L212 PolarHBondContact OH-N 3.32Å; Y152-L212 VanDerWaalsContact OH-N 3.11Å; M208-L212 PolarHBondContact O-N 3.45Å; M208-L212 VanDerWaalsContact O-N 3.09Å; C209-L212 WeakPolarHBondContact O-CB 3.21Å; C209-L212 PolarHBondContact O-N 2.91Å; S210-L212 PolarHBondContact O-N 2.98Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.48Å; L212-L215 HydrophobicContact CD1-CD1 4.04Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.87Å; L212-L225 HydrophobicContact CD1-CB 4.21Å; L212-L225 HydrophobicContact CD1-CD1 3.9Å; L212-L228 HydrophobicContact CD1-CD1 4.44Å; L212-L228 HydrophobicContact CD2-CB 3.98Å; L212-L228 HydrophobicContact CD2-CD1 3.83Å; L212-F229 HydrophobicContact CD1-CE2 4.01Å; L212-F229 HydrophobicContact CD1-CZ 4.27Å; L212-F229 HydrophobicContact CD2-CE2 4.47Å; L212-F229 HydrophobicContact CG-CE2 3.93Å; L212-F229 HydrophobicContact CG-CZ 3.82Å; L212-L239 HydrophobicContact CD2-CD1 4.32Å; L212-L239 HydrophobicContact CD2-CD2 3.69Å; L212-L239 HydrophobicContact CG-CD2 4.08Å
213	K	92.1	Very high	92.3	Very high	78 Å²	78	55.1 Å²	55.1	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-33.6	178.3	-72	168.9	-170.9	168	0	112.6	C209 S210 L215 R220 L239 E243	C209-K213 WeakPolarHBondContact O-CG 3.41Å; C209-K213 PolarHBondContact O-N 2.71Å; S210-K213 PolarHBondContact O-N 3.43Å; K213-L215 PolarHBondContact O-N 3.01Å; K213-R220 PolarHBondContact O-NH2 3.23Å; K213-R220 VanDerWaalsContact O-NH2 3.07Å; K213-L239 HydrophobicContact CD-CD1 4.37Å; K213-L239 HydrophobicContact CG-CD1 4.09Å; K213-L239 HydrophobicContact CG-CD2 4.43Å; K213-L239 HydrophobicContact CG-CG 4.24Å; K213-E243 IonicContact NZ-OE1 3.17Å; K213-E243 IonicContact NZ-OE2 2.94Å; K213-E243 PolarHBondContact NZ-OE2 2.77Å
214	S	87.1	Confident	92.4	Very high	76 Å²	76	57.2 Å²	57.2	53%	0.531	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	179.4	68.4	0	0	0	0	114.3	S210 A211 L212	S210-S214 PolarHBondContact O-N 3.03Å; S210-S214 PolarHBondContact O-OG 3.34Å; A211-S214 PolarHBondContact O-OG 3.49Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.48Å
215	L	88.9	Confident	92.6	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.11	29%	0.287	C	S	.	.	S	Bend	trans	-66.5	134.7	173.4	-61.3	-177.4	0	0	0	110.7	L212 K213 Q219 R220 L225	L212-L215 HydrophobicContact CD1-CD1 4.04Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.87Å; K213-L215 PolarHBondContact O-N 3.01Å; L215-Q219 HydrophobicContact CB-CB 4.11Å; L215-Q219 HydrophobicContact CD2-CB 4.33Å; L215-R220 HydrophobicContact CB-CG 3.81Å; L215-R220 PolarHBondContact O-NE 3.09Å; L215-R220 PolarHBondContact O-NH2 3.39Å; L215-L225 HydrophobicContact CD1-CD1 3.89Å
216	S	89.2	Confident	92.6	Very high	45 Å²	45	60.4 Å²	60.4	32%	0.315	31%	0.306	S	S	.	.			trans	-63.6	162.2	170.2	90.9	0	0	0	0	111.1	E218 Q219 R220	S216-E218 VanDerWaalsContact CB-OE2 3.29Å; S216-E218 WeakPolarHBondContact CB-OE2 3.39Å; S216-E218 PolarHBondContact O-N 2.8Å; S216-E218 PolarHBondContact OG-N 3.35Å; S216-E218 PolarHBondContact OG-OE2 3.06Å; S216-Q219 PolarHBondContact O-N 3.47Å; S216-Q219 PolarHBondContact OG-N 2.93Å; S216-R220 VanDerWaalsContact O-CG 3.27Å; S216-R220 WeakPolarHBondContact O-CG 3.4Å; S216-R220 PolarHBondContact O-N 3.27Å
217	V	92.5	Very high	92.8	Very high	99 Å²	99	57.8 Å²	57.8	60%	0.6	30%	0.297	S	S	*	.	H	α-helix	trans	-58	-38.3	177.9	177.3	0	0	0	0	111	R220 R221	V217-R220 PolarHBondContact O-N 2.51Å; V217-R221 PolarHBondContact O-N 2.99Å
218	E	93.2	Very high	93.1	Very high	118 Å²	118	57.4 Å²	57.4	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-64.4	-48.7	176.9	-57.8	70.4	-150.8	0	0	110.9	S216 R220 R221 E222	S216-E218 VanDerWaalsContact CB-OE2 3.29Å; S216-E218 WeakPolarHBondContact CB-OE2 3.39Å; S216-E218 PolarHBondContact O-N 2.8Å; S216-E218 PolarHBondContact OG-N 3.35Å; S216-E218 PolarHBondContact OG-OE2 3.06Å; E218-R220 VanDerWaalsContact C-N 3.32Å; E218-R220 PolarHBondContact O-N 3.09Å; E218-R221 WeakPolarHBondContact O-CB 3.33Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 VanDerWaalsContact O-N 3.09Å; E218-E222 WeakPolarHBondContact O-CG 3.49Å; E218-E222 PolarHBondContact O-N 3.19Å
219	Q	92.3	Very high	93.3	Very high	86 Å²	86	58 Å²	58	40%	0.402	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-40.3	178.1	-68.9	175.9	-43	0	0	111.9	L215 S216 R221 R223	L215-Q219 HydrophobicContact CB-CB 4.11Å; L215-Q219 HydrophobicContact CD2-CB 4.33Å; S216-Q219 PolarHBondContact O-N 3.47Å; S216-Q219 PolarHBondContact OG-N 2.93Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.47Å; Q219-R223 WeakPolarHBondContact O-CB 3.5Å; Q219-R223 VanDerWaalsContact O-CG 3.31Å; Q219-R223 WeakPolarHBondContact O-CG 3.47Å; Q219-R223 PolarHBondContact O-N 2.83Å
220	R	95	Very high	93.4	Very high	30 Å²	30	58.3 Å²	58.3	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-42	174.8	-66.1	169.7	-164.4	-169.1	1.6	111	K213 L215 S216 V217 E218 C224 L225 F229 E237	K213-R220 PolarHBondContact O-NH2 3.23Å; K213-R220 VanDerWaalsContact O-NH2 3.07Å; L215-R220 HydrophobicContact CB-CG 3.81Å; L215-R220 PolarHBondContact O-NE 3.09Å; L215-R220 PolarHBondContact O-NH2 3.39Å; S216-R220 VanDerWaalsContact O-CG 3.27Å; S216-R220 WeakPolarHBondContact O-CG 3.4Å; S216-R220 PolarHBondContact O-N 3.27Å; V217-R220 PolarHBondContact O-N 2.51Å; E218-R220 VanDerWaalsContact C-N 3.32Å; E218-R220 PolarHBondContact O-N 3.09Å; R220-C224 PolarHBondContact O-N 3.02Å; R220-C224 VanDerWaalsContact O-N 3.09Å; R220-L225 PolarHBondContact O-N 3.07Å; R220-F229 VanDerWaalsContact CD-CE2 3.49Å; R220-F229 HydrophobicContact CG-CE2 3.89Å; R220-F229 HydrophobicContact CG-CZ 4.33Å; R220-F229 VanDerWaalsContact NE-CZ 3.34Å; R220-F229 VanDerWaalsContact NH1-CD1 3.29Å; R220-E237 IonicContact CZ-OE1 3.61Å; R220-E237 IonicContact NH1-OE1 3.41Å; R220-E237 PolarHBondContact NH1-OE1 3.37Å; R220-E237 IonicContact NH1-OE2 3.76Å
221	R	94.6	Very high	93.8	Very high	203 Å²	203	60.3 Å²	60.3	77%	0.766	31%	0.308	S	S	*	.	H	α-helix	trans	-67.7	-48.8	178.9	-175.6	-179.5	177.8	-179.8	-0.2	111.8	V217 E218 Q219 R223 C224	V217-R221 PolarHBondContact O-N 2.99Å; E218-R221 WeakPolarHBondContact O-CB 3.33Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 VanDerWaalsContact O-N 3.09Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.47Å; R221-R223 VanDerWaalsContact C-N 3.26Å; R221-R223 PolarHBondContact O-N 3.28Å; R221-C224 PolarHBondContact O-N 3.42Å
222	E	94.8	Very high	94.1	Very high	157 Å²	157	61.6 Å²	61.6	73%	0.734	31%	0.314	S	S	*	.	H	α-helix	trans	-58.1	-40	178.6	-73.8	174.6	179.3	0	0	111.8	E218 C224	E218-E222 WeakPolarHBondContact O-CG 3.49Å; E218-E222 PolarHBondContact O-N 3.19Å; E222-C224 VanDerWaalsContact C-N 3.31Å; E222-C224 PolarHBondContact O-N 3.37Å
223	R	94.4	Very high	94.1	Very high	83 Å²	83	68.2 Å²	68.2	31%	0.313	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.8	177.7	-62.5	-177.5	65	-173.5	1.5	114.1	E155 Q219 R221 L225	E155-R223 IonicContact OE1-CZ 3.67Å; E155-R223 IonicContact OE1-NH1 2.68Å; E155-R223 IonicContact OE1-NH2 2.71Å; E155-R223 PolarHBondContact OE1-NH2 3.28Å; E155-R223 IonicContact OE2-CZ 3.88Å; E155-R223 IonicContact OE2-NH2 3.24Å; E155-R223 PolarHBondContact OE2-NH2 3.47Å; Q219-R223 WeakPolarHBondContact O-CB 3.5Å; Q219-R223 VanDerWaalsContact O-CG 3.31Å; Q219-R223 WeakPolarHBondContact O-CG 3.47Å; Q219-R223 PolarHBondContact O-N 2.83Å; R221-R223 VanDerWaalsContact C-N 3.26Å; R221-R223 PolarHBondContact O-N 3.28Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 HydrophobicContact CB-CD1 3.8Å; R223-L225 HydrophobicContact CB-CG 3.8Å; R223-L225 PolarHBondContact O-N 2.77Å
224	C	95.7	Very high	94.1	Very high	62 Å²	62	72 Å²	72	42%	0.419	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.7	-174.9	-60.2	0	0	0	0	113.5	R148 R220 R221 E222	R148-C224 WeakPolarHBondContact CD-O 3.24Å; R220-C224 PolarHBondContact O-N 3.02Å; R220-C224 VanDerWaalsContact O-N 3.09Å; R221-C224 PolarHBondContact O-N 3.42Å; E222-C224 VanDerWaalsContact C-N 3.31Å; E222-C224 PolarHBondContact O-N 3.37Å
225	L	97	Very high	94.3	Very high	9 Å²	9	70.9 Å²	70.9	5%	0.047	36%	0.362	C	S	.	.			trans	-103.7	-1.4	-179.6	-61.2	177.3	0	0	0	113.2	Y152 L212 L215 R220 R223 C227 L228	Y152-L225 HydrophobicContact CD2-CD1 3.89Å; Y152-L225 HydrophobicContact CE2-CD1 4.3Å; L212-L225 HydrophobicContact CD1-CB 4.21Å; L212-L225 HydrophobicContact CD1-CD1 3.9Å; L215-L225 HydrophobicContact CD1-CD1 3.89Å; R220-L225 PolarHBondContact O-N 3.07Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 HydrophobicContact CB-CD1 3.8Å; R223-L225 HydrophobicContact CB-CG 3.8Å; R223-L225 PolarHBondContact O-N 2.77Å; L225-C227 PolarHBondContact O-N 2.84Å; L225-C227 VanDerWaalsContact O-N 3.15Å; L225-L228 HydrophobicContact CB-CD1 4.38Å; L225-L228 HydrophobicContact CD2-CD1 3.86Å; L225-L228 WeakPolarHBondContact O-CB 3.31Å; L225-L228 WeakPolarHBondContact O-CG 3.41Å; L225-L228 PolarHBondContact O-N 2.49Å
226	S	96.2	Very high	94.5	Very high	59 Å²	59	76.2 Å²	76.2	41%	0.413	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.6	-30.7	179.3	-56	0	0	0	0	113	L228 F229	S226-L228 PolarHBondContact O-N 2.67Å; S226-L228 VanDerWaalsContact O-N 3.15Å; S226-F229 PolarHBondContact O-N 2.79Å; S226-F229 VanDerWaalsContact O-N 3.12Å
227	C	96.2	Very high	94.8	Very high	23 Å²	23	78.9 Å²	78.9	16%	0.155	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-69.5	-4.9	175.9	69.7	0	0	0	0	114	M140 C145 L225 F229	M140-C227 HydrophobicContact CE-CB 3.84Å; M140-C227 WeakPolarHBondContact CE-O 3.26Å; M140-C227 HydrophobicContact SD-CB 4.34Å; C145-C227 PolarHBondContact SG-O 2.81Å; C145-C227 VanDerWaalsContact SG-O 3.39Å; L225-C227 PolarHBondContact O-N 2.84Å; L225-C227 VanDerWaalsContact O-N 3.15Å; C227-F229 VanDerWaalsContact C-N 3.3Å
228	L	97.8	Very high	94.9	Very high	2 Å²	2	77.1 Å²	77.1	1%	0.01	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-87.4	-6.5	172.9	-55.1	-173.3	0	0	0	112.4	R148 F149 L212 L225 S226 L239 L240	R148-L228 HydrophobicContact CB-CD2 4.09Å; F149-L228 HydrophobicContact CB-CD2 3.82Å; F149-L228 HydrophobicContact CD2-CD2 4.43Å; L212-L228 HydrophobicContact CD1-CD1 4.44Å; L212-L228 HydrophobicContact CD2-CB 3.98Å; L212-L228 HydrophobicContact CD2-CD1 3.83Å; L225-L228 HydrophobicContact CB-CD1 4.38Å; L225-L228 HydrophobicContact CD2-CD1 3.86Å; L225-L228 WeakPolarHBondContact O-CB 3.31Å; L225-L228 WeakPolarHBondContact O-CG 3.41Å; L225-L228 PolarHBondContact O-N 2.49Å; S226-L228 PolarHBondContact O-N 2.67Å; S226-L228 VanDerWaalsContact O-N 3.15Å; L228-L239 CarbonylContact O-C 3.52Å; L228-L239 WeakPolarHBondContact O-CA 3.29Å; L228-L240 HydrophobicContact CD2-CD2 4.25Å; L228-L240 PolarHBondContact O-N 3.32Å
229	F	97.4	Very high	95.1	Very high	15 Å²	15	72 Å²	72	7%	0.066	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.1	175.6	-64.3	-97.2	0	0	0	108.8	L212 R220 S226 C227 E237 T238 L239	L212-F229 HydrophobicContact CD1-CE2 4.01Å; L212-F229 HydrophobicContact CD1-CZ 4.27Å; L212-F229 HydrophobicContact CD2-CE2 4.47Å; L212-F229 HydrophobicContact CG-CE2 3.93Å; L212-F229 HydrophobicContact CG-CZ 3.82Å; R220-F229 VanDerWaalsContact CD-CE2 3.49Å; R220-F229 HydrophobicContact CG-CE2 3.89Å; R220-F229 HydrophobicContact CG-CZ 4.33Å; R220-F229 VanDerWaalsContact NE-CZ 3.34Å; R220-F229 VanDerWaalsContact NH1-CD1 3.29Å; S226-F229 PolarHBondContact O-N 2.79Å; S226-F229 VanDerWaalsContact O-N 3.12Å; C227-F229 VanDerWaalsContact C-N 3.3Å; F229-E237 HydrophobicContact CB-CG 3.82Å; F229-E237 HydrophobicContact CD1-CG 3.98Å; F229-E237 WeakPolarHBondContact CD1-OE1 3.27Å; F229-E237 HydrophobicContact CG-CG 4.37Å; F229-T238 CarbonylContact C-O 3.49Å; F229-T238 VanDerWaalsContact CA-O 3.29Å; F229-T238 WeakPolarHBondContact CA-O 3.49Å; F229-L239 HydrophobicContact CD1-CD2 3.71Å; F229-L239 HydrophobicContact CD2-CD2 4.4Å; F229-L239 HydrophobicContact CE1-CD2 3.48Å; F229-L239 VanDerWaalsContact CE1-CD2 3.48Å; F229-L239 HydrophobicContact CE2-CD2 4.19Å; F229-L239 HydrophobicContact CG-CD2 4.18Å; F229-L239 HydrophobicContact CZ-CD2 3.74Å
230	V	96.9	Very high	95.3	Very high	6 Å²	6	67.9 Å²	67.9	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.8	-173.3	-57.6	0	0	0	0	110.1	F132 N137 M140 T238 L240	F132-V230 HydrophobicContact CB-CB 3.97Å; F132-V230 HydrophobicContact CB-CG1 3.85Å; F132-V230 HydrophobicContact CB-CG2 4.14Å; F132-V230 HydrophobicContact CD1-CG1 4.37Å; F132-V230 HydrophobicContact CG-CG1 4.24Å; N137-V230 WeakPolarHBondContact OD1-CA 3.38Å; M140-V230 HydrophobicContact CE-CG1 4.14Å; V230-T238 HydrophobicContact CG2-CG2 3.7Å; V230-T238 PolarHBondContact N-O 3.1Å; V230-T238 PolarHBondContact O-N 3.05Å; V230-L240 HydrophobicContact CG1-CB 4.33Å; V230-L240 HydrophobicContact CG1-CD1 4.47Å
231	L	97	Very high	95.5	Very high	78 Å²	78	66.8 Å²	66.8	41%	0.408	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132	177.8	-62.8	176.5	0	0	0	111.1	T136 N137 E237	T136-L231 WeakPolarHBondContact CB-O 3.33Å; T136-L231 PolarHBondContact OG1-O 2.78Å; N137-L231 PolarHBondContact ND2-O 2.87Å; N137-L231 PolarHBondContact OD1-N 3.3Å; L231-E237 HydrophobicContact CD2-CB 4.41Å
232	T	94.5	Very high	95.6	Very high	40 Å²	40	60.1 Å²	60.1	25%	0.245	32%	0.315	C	S	.	.			trans	-75.8	174.1	168.8	76.6	0	0	0	0	111.3	E234 G235 K236 T238	T232-E234 VanDerWaalsContact CB-OE2 3.24Å; T232-E234 WeakPolarHBondContact CB-OE2 3.49Å; T232-E234 PolarHBondContact O-N 2.67Å; T232-E234 PolarHBondContact OG1-N 2.9Å; T232-E234 PolarHBondContact OG1-OE2 3.3Å; T232-G235 PolarHBondContact O-N 3.36Å; T232-K236 WeakPolarHBondContact CG2-O 3.5Å; T232-K236 PolarHBondContact N-O 2.81Å; T232-K236 PolarHBondContact OG1-N 3.05Å; T232-T238 HydrophobicContact CG2-CG2 3.69Å
233	K	92.3	Very high	95.6	Very high	143 Å²	143	54.7 Å²	54.7	62%	0.622	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	175.4	-67.4	-176.3	177.9	-176.5	0	112.9	T136 G235	T136-K233 HydrophobicContact CG2-CG 4.26Å; K233-G235 VanDerWaalsContact C-N 3.27Å
234	E	92.9	Very high	95.6	Very high	156 Å²	156	52.3 Å²	52.3	73%	0.729	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.1	177.2	-54.2	72.1	-152.7	0	0	112.6	T232 K236	T232-E234 VanDerWaalsContact CB-OE2 3.24Å; T232-E234 WeakPolarHBondContact CB-OE2 3.49Å; T232-E234 PolarHBondContact O-N 2.67Å; T232-E234 PolarHBondContact OG1-N 2.9Å; T232-E234 PolarHBondContact OG1-OE2 3.3Å; E234-K236 VanDerWaalsContact C-N 3.26Å; E234-K236 PolarHBondContact O-N 3.09Å
235	G	91.2	Very high	95.7	Very high	53 Å²	53	49.5 Å²	49.5	55%	0.546	27%	0.272	S	S	.	.	S	Bend	trans	74.1	13.4	-177.2	0	0	0	0	0	114.1	T232 K233	T232-G235 PolarHBondContact O-N 3.36Å; K233-G235 VanDerWaalsContact C-N 3.27Å
236	K	93.5	Very high	95.6	Very high	133 Å²	133	49.6 Å²	49.6	58%	0.578	27%	0.272	S	S	*	.			trans	-81.2	134.7	174.4	-173.4	179.3	177	-179	0	109.5	T232 E234	T232-K236 WeakPolarHBondContact CG2-O 3.5Å; T232-K236 PolarHBondContact N-O 2.81Å; T232-K236 PolarHBondContact OG1-N 3.05Å; E234-K236 VanDerWaalsContact C-N 3.26Å; E234-K236 PolarHBondContact O-N 3.09Å
237	E	94.8	Very high	95.6	Very high	102 Å²	102	49.7 Å²	49.7	48%	0.477	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.3	169.7	-171	-178.5	84.4	0	0	110.3	R220 F229 L231	R220-E237 IonicContact CZ-OE1 3.61Å; R220-E237 IonicContact NH1-OE1 3.41Å; R220-E237 PolarHBondContact NH1-OE1 3.37Å; R220-E237 IonicContact NH1-OE2 3.76Å; F229-E237 HydrophobicContact CB-CG 3.82Å; F229-E237 HydrophobicContact CD1-CG 3.98Å; F229-E237 WeakPolarHBondContact CD1-OE1 3.27Å; F229-E237 HydrophobicContact CG-CG 4.37Å; L231-E237 HydrophobicContact CD2-CB 4.41Å
238	T	95.4	Very high	95.4	Very high	61 Å²	61	56.7 Å²	56.7	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	172.5	172.9	-172.7	0	0	0	0	109.6	F229 V230 T232	F229-T238 CarbonylContact C-O 3.49Å; F229-T238 VanDerWaalsContact CA-O 3.29Å; F229-T238 WeakPolarHBondContact CA-O 3.49Å; V230-T238 HydrophobicContact CG2-CG2 3.7Å; V230-T238 PolarHBondContact N-O 3.1Å; V230-T238 PolarHBondContact O-N 3.05Å; T232-T238 HydrophobicContact CG2-CG2 3.69Å
239	L	97.2	Very high	95.3	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.4	171.1	-65.3	-178.9	0	0	0	111.6	C209 L212 K213 L228 F229 C241	C209-L239 HydrophobicContact CB-CD1 3.52Å; L212-L239 HydrophobicContact CD2-CD1 4.32Å; L212-L239 HydrophobicContact CD2-CD2 3.69Å; L212-L239 HydrophobicContact CG-CD2 4.08Å; K213-L239 HydrophobicContact CD-CD1 4.37Å; K213-L239 HydrophobicContact CG-CD1 4.09Å; K213-L239 HydrophobicContact CG-CD2 4.43Å; K213-L239 HydrophobicContact CG-CG 4.24Å; L228-L239 CarbonylContact O-C 3.52Å; L228-L239 WeakPolarHBondContact O-CA 3.29Å; F229-L239 HydrophobicContact CD1-CD2 3.71Å; F229-L239 HydrophobicContact CD2-CD2 4.4Å; F229-L239 HydrophobicContact CE1-CD2 3.48Å; F229-L239 VanDerWaalsContact CE1-CD2 3.48Å; F229-L239 HydrophobicContact CE2-CD2 4.19Å; F229-L239 HydrophobicContact CG-CD2 4.18Å; F229-L239 HydrophobicContact CZ-CD2 3.74Å; L239-C241 PolarHBondContact O-N 2.69Å
240	L	97.4	Very high	95.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.306	C	S	.	.	S	Bend	trans	-55.4	-33.8	168	173.3	70.9	0	0	0	112.9	L130 E131 F132 C145 F181 L228 V230	L130-L240 WeakPolarHBondContact CA-O 3.41Å; L130-L240 HydrophobicContact CB-CD1 4.34Å; L130-L240 HydrophobicContact CB-CD2 4.34Å; L130-L240 HydrophobicContact CB-CG 4.04Å; L130-L240 HydrophobicContact CD1-CD2 4.27Å; L130-L240 HydrophobicContact CD2-CD2 4.45Å; L130-L240 HydrophobicContact CD2-CG 4.32Å; E131-L240 PolarHBondContact N-O 3.17Å; F132-L240 HydrophobicContact CD1-CD1 3.48Å; F132-L240 VanDerWaalsContact CD1-CD1 3.48Å; F132-L240 HydrophobicContact CE1-CD1 4.14Å; C145-L240 HydrophobicContact CB-CD2 3.92Å; F181-L240 HydrophobicContact CD1-CD1 4.1Å; F181-L240 HydrophobicContact CE1-CD1 4.02Å; L228-L240 HydrophobicContact CD2-CD2 4.25Å; L228-L240 PolarHBondContact O-N 3.32Å; V230-L240 HydrophobicContact CG1-CB 4.33Å; V230-L240 HydrophobicContact CG1-CD1 4.47Å
241	C	98	Very high	95.2	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.047	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-86.8	121.8	-175.7	179.6	0	0	0	0	111.2	L130 F149 L239 E243	L130-C241 HydrophobicContact CD2-CB 3.78Å; F149-C241 HydrophobicContact CE2-CB 3.67Å; F149-C241 HydrophobicContact CZ-CB 4.05Å; L239-C241 PolarHBondContact O-N 2.69Å; C241-E243 PolarHBondContact O-N 2.92Å
242	D	96.9	Very high	95.2	Very high	63 Å²	63	57.6 Å²	57.6	34%	0.337	29%	0.293	S	S	.	.			trans	-76.7	103.3	174.4	-177.5	13	0	0	0	111	D129 G244 V245	D129-D242 HydrophobicContact CB-CB 4.32Å; D129-D242 PolarHBondContact O-N 2.91Å; D242-G244 PolarHBondContact O-N 3.28Å; D242-G244 VanDerWaalsContact OD1-CA 3.29Å; D242-G244 WeakPolarHBondContact OD1-CA 3.32Å; D242-G244 PolarHBondContact OD1-N 2.85Å; D242-V245 HydrophobicContact CB-CG1 4.25Å; D242-V245 WeakPolarHBondContact O-CG2 3.44Å; D242-V245 WeakPolarHBondContact OD2-CG1 3.33Å
243	E	94.8	Very high	95.3	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-70.6	-16.5	174.2	-62	173.1	73.2	0	0	112.6	C209 K213 C241 V245	C209-E243 HydrophobicContact CB-CG 4.22Å; K213-E243 IonicContact NZ-OE1 3.17Å; K213-E243 IonicContact NZ-OE2 2.94Å; K213-E243 PolarHBondContact NZ-OE2 2.77Å; C241-E243 PolarHBondContact O-N 2.92Å; E243-V245 PolarHBondContact O-N 3.06Å
244	G	94.6	Very high	95.6	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-70.9	-12.9	-177.8	0	0	0	0	0	114.1	D242 Y246 T247 R250	D242-G244 PolarHBondContact O-N 3.28Å; D242-G244 VanDerWaalsContact OD1-CA 3.29Å; D242-G244 WeakPolarHBondContact OD1-CA 3.32Å; D242-G244 PolarHBondContact OD1-N 2.85Å; G244-Y246 PolarHBondContact O-N 3.37Å; G244-T247 WeakPolarHBondContact O-CG2 3.45Å; G244-R250 PolarHBondContact O-NH2 3.17Å
245	V	96.9	Very high	95.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-72.1	-15.4	179	-56.8	0	0	0	0	113.3	Y127 D129 D242 E243 T247 R250 F252	Y127-V245 HydrophobicContact CD2-CG2 4.25Å; Y127-V245 HydrophobicContact CE2-CB 4.03Å; Y127-V245 HydrophobicContact CE2-CG2 3.57Å; Y127-V245 PolarHBondContact OH-O 3.15Å; Y127-V245 VanDerWaalsContact OH-O 3.05Å; D129-V245 HydrophobicContact CB-CG1 3.71Å; D242-V245 HydrophobicContact CB-CG1 4.25Å; D242-V245 WeakPolarHBondContact O-CG2 3.44Å; D242-V245 WeakPolarHBondContact OD2-CG1 3.33Å; E243-V245 PolarHBondContact O-N 3.06Å; V245-T247 VanDerWaalsContact C-N 3.35Å; V245-T247 PolarHBondContact O-N 3.28Å; V245-T247 VanDerWaalsContact O-N 3.1Å; V245-R250 WeakPolarHBondContact O-CB 3.42Å; V245-R250 WeakPolarHBondContact O-CG 3.42Å; V245-R250 PolarHBondContact O-NE 3.14Å; V245-R250 VanDerWaalsContact O-NE 3.17Å; V245-F252 HydrophobicContact CB-CE2 4.38Å; V245-F252 HydrophobicContact CG1-CE2 4.22Å
246	Y	96.7	Very high	96.1	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	20%	0.202	C	C	.	.			trans	-89.9	64.4	-178.4	-63.9	-76	0	0	0	113.2	L126 Y127 N198 A201 G202 V205 G244	L126-Y246 WeakPolarHBondContact CD1-OH 3.1Å; Y127-Y246 HydrophobicContact CD1-CE1 4.05Å; Y127-Y246 AromaticContact CE1-CD1 3.98Å; Y127-Y246 HydrophobicContact CE1-CD1 3.98Å; Y127-Y246 AromaticContact CE1-CE1 3.56Å; Y127-Y246 HydrophobicContact CE1-CE1 3.56Å; Y127-Y246 HydrophobicContact CE2-CE1 4.36Å; Y127-Y246 AromaticContact CZ-CD1 3.85Å; Y127-Y246 AromaticContact CZ-CE1 3.73Å; Y127-Y246 VanDerWaalsContact O-CZ 3.29Å; Y127-Y246 PolarHBondContact O-OH 3.3Å; N198-Y246 VanDerWaalsContact O-CD1 3.23Å; N198-Y246 WeakPolarHBondContact O-CD1 3.44Å; A201-Y246 HydrophobicContact CB-CD1 4.33Å; A201-Y246 HydrophobicContact CB-CE1 3.8Å; G202-Y246 VanDerWaalsContact CA-CD1 3.45Å; V205-Y246 HydrophobicContact CB-CD2 4.49Å; V205-Y246 HydrophobicContact CB-CE2 3.77Å; V205-Y246 HydrophobicContact CG1-CE2 3.88Å; V205-Y246 HydrophobicContact CG2-CE2 3.77Å; V205-Y246 WeakPolarHBondContact CG2-OH 3.44Å; G244-Y246 PolarHBondContact O-N 3.37Å
247	T	94.4	Very high	96.3	Very high	60 Å²	60	35 Å²	35	37%	0.368	18%	0.175	S	C	.	.	S	Bend	trans	-120.6	159.9	-179.7	60.4	0	0	0	0	112	N198 G244 V245 N249 R250	N198-T247 PolarHBondContact ND2-O 2.87Å; G244-T247 WeakPolarHBondContact O-CG2 3.45Å; V245-T247 VanDerWaalsContact C-N 3.35Å; V245-T247 PolarHBondContact O-N 3.28Å; V245-T247 VanDerWaalsContact O-N 3.1Å; T247-N249 PolarHBondContact O-N 3.29Å; T247-R250 WeakPolarHBondContact O-CB 3.24Å; T247-R250 PolarHBondContact O-N 2.96Å; T247-R250 PolarHBondContact OG1-NE 3.12Å; T247-R250 PolarHBondContact OG1-NH2 3.43Å
248	R	93.4	Very high	96.3	Very high	170 Å²	170	30.3 Å²	30.3	64%	0.642	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	127	174.4	-171.4	-176.2	-178.6	166.1	15	111.8	E120 R250	E120-R248 HydrophobicContact CB-CG 3.82Å; E120-R248 VanDerWaalsContact CD-NE 3.27Å; E120-R248 HydrophobicContact CG-CG 4Å; E120-R248 IonicContact OE1-CZ 3.48Å; E120-R248 IonicContact OE1-NE 3.72Å; E120-R248 PolarHBondContact OE1-NE 2.87Å; E120-R248 IonicContact OE2-CZ 3.48Å; E120-R248 IonicContact OE2-NE 3.51Å; E120-R248 PolarHBondContact OE2-NE 3.29Å; E120-R248 IonicContact OE2-NH2 2.75Å; E120-R248 PolarHBondContact OE2-NH2 3.23Å; R248-R250 VanDerWaalsContact C-N 3.25Å; R248-R250 PolarHBondContact O-N 3.15Å
249	N	95	Very high	96.1	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.9	176.6	-59.9	-43.1	0	0	0	113.7	Q60 M117 I118 E120 T247 T251	Q60-N249 VanDerWaalsContact NE2-CG 3.32Å; Q60-N249 PolarHBondContact NE2-ND2 3.14Å; Q60-N249 VanDerWaalsContact NE2-ND2 3.14Å; M117-N249 HydrophobicContact CG-CB 4.4Å; M117-N249 HydrophobicContact SD-CB 4.47Å; I118-N249 CarbonylContact O-C 3.55Å; I118-N249 WeakPolarHBondContact O-CA 3.07Å; E120-N249 PolarHBondContact N-OD1 2.87Å; T247-N249 PolarHBondContact O-N 3.29Å; N249-T251 PolarHBondContact O-N 3.47Å
250	R	96	Very high	95.7	Very high	73 Å²	73	32.6 Å²	32.6	28%	0.275	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	131.7	-178.4	169.9	61.4	56.5	-170	4.5	110.1	I118 G244 V245 T247 R248	I118-R250 HydrophobicContact CD1-CB 4.35Å; I118-R250 HydrophobicContact CD1-CG 4.22Å; I118-R250 PolarHBondContact N-O 2.98Å; I118-R250 PolarHBondContact O-N 3.41Å; G244-R250 PolarHBondContact O-NH2 3.17Å; V245-R250 WeakPolarHBondContact O-CB 3.42Å; V245-R250 WeakPolarHBondContact O-CG 3.42Å; V245-R250 PolarHBondContact O-NE 3.14Å; V245-R250 VanDerWaalsContact O-NE 3.17Å; T247-R250 WeakPolarHBondContact O-CB 3.24Å; T247-R250 PolarHBondContact O-N 2.96Å; T247-R250 PolarHBondContact OG1-NE 3.12Å; T247-R250 PolarHBondContact OG1-NH2 3.43Å; R248-R250 VanDerWaalsContact C-N 3.25Å; R248-R250 PolarHBondContact O-N 3.15Å
251	T	95.7	Very high	95.2	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.4	164.7	58.4	0	0	0	0	110.6	S80 R90 E116 N249	S80-T251 WeakPolarHBondContact OG-CG2 3.2Å; R90-T251 PolarHBondContact NH1-OG1 2.95Å; E116-T251 CarbonylContact O-C 3.19Å; E116-T251 WeakPolarHBondContact O-CA 3.47Å; N249-T251 PolarHBondContact O-N 3.47Å
252	F	97.5	Very high	94.7	Very high	12 Å²	12	45 Å²	45	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.5	-178.8	-154.5	-108.6	0	0	0	110.4	Y115 E116 I118 Y127 D129 H184 V245 I293	Y115-F252 CarbonylContact C-O 3.46Å; Y115-F252 WeakPolarHBondContact CA-O 3.42Å; Y115-F252 WeakPolarHBondContact CB-O 3.32Å; E116-F252 PolarHBondContact N-O 3.08Å; E116-F252 PolarHBondContact O-N 2.93Å; I118-F252 HydrophobicContact CD1-CB 3.94Å; Y127-F252 HydrophobicContact CD2-CD2 4.3Å; Y127-F252 HydrophobicContact CD2-CE1 4.16Å; Y127-F252 AromaticContact CD2-CE2 3.91Å; Y127-F252 HydrophobicContact CD2-CE2 3.91Å; Y127-F252 AromaticContact CD2-CZ 3.82Å; Y127-F252 HydrophobicContact CD2-CZ 3.82Å; Y127-F252 HydrophobicContact CE2-CD2 4.04Å; Y127-F252 AromaticContact CE2-CE2 3.95Å; Y127-F252 HydrophobicContact CE2-CE2 3.95Å; Y127-F252 HydrophobicContact CE2-CZ 4.33Å; D129-F252 HydrophobicContact CB-CE2 4.04Å; D129-F252 HydrophobicContact CB-CZ 4.2Å; H184-F252 HydrophobicContact CB-CE1 4.09Å; H184-F252 HydrophobicContact CB-CZ 4.24Å; H184-F252 AromaticContact CD2-CZ 3.8Å; H184-F252 AromaticContact CE1-CD1 3.92Å; H184-F252 AromaticContact CE1-CE1 3.42Å; H184-F252 VanDerWaalsContact CE1-CE1 3.42Å; H184-F252 WeakPolarHBondContact CE1-CE1 3.49Å; H184-F252 AromaticContact CE1-CE2 3.98Å; H184-F252 AromaticContact CE1-CZ 3.44Å; H184-F252 VanDerWaalsContact CE1-CZ 3.44Å; H184-F252 WeakPolarHBondContact CE1-CZ 3.38Å; H184-F252 AromaticContact CG-CE1 3.59Å; H184-F252 AromaticContact CG-CZ 3.59Å; H184-F252 AromaticContact ND1-CD1 3.77Å; H184-F252 AromaticContact ND1-CE1 3.04Å; H184-F252 WeakPolarHBondContact ND1-CE1 3.47Å; H184-F252 AromaticContact ND1-CZ 3.38Å; H184-F252 WeakPolarHBondContact ND1-CZ 3.19Å; H184-F252 AromaticContact NE2-CZ 3.77Å; V245-F252 HydrophobicContact CB-CE2 4.38Å; V245-F252 HydrophobicContact CG1-CE2 4.22Å; F252-I293 HydrophobicContact CB-CD1 4.01Å; F252-I293 HydrophobicContact CD1-CD1 3.14Å; F252-I293 HydrophobicContact CD1-CG1 4.46Å; F252-I293 HydrophobicContact CD2-CD1 4.46Å; F252-I293 HydrophobicContact CE1-CD1 3.57Å; F252-I293 HydrophobicContact CG-CD1 3.63Å; F252-I293 HydrophobicContact CZ-CD1 4.42Å
253	R	97.4	Very high	94.4	Very high	14 Å²	14	48.9 Å²	48.9	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.9	-168.4	-173.5	170.1	52.8	161.1	-8.1	110.6	Y115 S175 S257 N264 L266	Y115-R253 VanDerWaalsContact CD1-CA 3.44Å; Y115-R253 HydrophobicContact CD1-CB 3.74Å; Y115-R253 HydrophobicContact CD1-CG 4.33Å; Y115-R253 HydrophobicContact CE1-CB 3.72Å; Y115-R253 HydrophobicContact CE1-CG 4.07Å; S175-R253 PolarHBondContact OG-NH2 2.68Å; R253-S257 VanDerWaalsContact CD-O 3.31Å; R253-S257 WeakPolarHBondContact CD-O 3.27Å; R253-N264 PolarHBondContact NH1-O 2.62Å; R253-L266 HydrophobicContact CB-CD1 3.82Å; R253-L266 HydrophobicContact CG-CD1 3.84Å; R253-L266 VanDerWaalsContact O-CD1 3.3Å; R253-L266 WeakPolarHBondContact O-CD1 3.28Å
254	L	98	Very high	94.4	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-74.3	153.7	-177.9	-62.8	176.2	0	0	0	112.1	F79 F100 C114 E116 L256 S257 F288 L292	F79-L254 HydrophobicContact CD1-CD1 3.77Å; F79-L254 HydrophobicContact CD1-CD2 4.23Å; F79-L254 HydrophobicContact CE1-CD1 4.07Å; F79-L254 HydrophobicContact CE1-CD2 4.03Å; F100-L254 HydrophobicContact CE1-CD1 3.6Å; F100-L254 HydrophobicContact CZ-CD1 3.7Å; C114-L254 HydrophobicContact CB-CD1 3.59Å; C114-L254 HydrophobicContact CB-CG 4.4Å; C114-L254 PolarHBondContact O-N 2.93Å; C114-L254 VanDerWaalsContact O-N 3.14Å; E116-L254 HydrophobicContact CB-CD2 3.74Å; L254-L256 PolarHBondContact O-N 2.95Å; L254-S257 WeakPolarHBondContact O-CB 3.42Å; L254-S257 PolarHBondContact O-N 3.26Å; L254-F288 HydrophobicContact CD1-CE2 4.19Å; L254-F288 HydrophobicContact CD2-CE2 4.39Å; L254-L292 HydrophobicContact CD2-CD2 4.01Å
255	Y	98.1	Very high	94.5	Very high	16 Å²	16	48.5 Å²	48.5	6%	0.063	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-50	136.9	160.8	171.1	-116.1	0	0	0	110.6	Y104 L173 S257 L266 E284 I287 F288	Y104-Y255 PolarHBondContact OH-O 3.46Å; L173-Y255 HydrophobicContact CD2-CD2 3.99Å; Y255-S257 PolarHBondContact O-N 2.98Å; Y255-L266 VanDerWaalsContact CD2-O 3.23Å; Y255-L266 WeakPolarHBondContact CD2-O 3.4Å; Y255-E284 HydrophobicContact CE1-CB 4.33Å; Y255-I287 HydrophobicContact CD1-CB 4.11Å; Y255-I287 HydrophobicContact CD1-CG2 3.8Å; Y255-I287 HydrophobicContact CD2-CG2 3.65Å; Y255-I287 HydrophobicContact CE1-CB 3.77Å; Y255-I287 HydrophobicContact CE1-CG2 3.74Å; Y255-I287 HydrophobicContact CE2-CB 4.38Å; Y255-I287 HydrophobicContact CE2-CD1 4.48Å; Y255-I287 HydrophobicContact CE2-CG2 3.59Å; Y255-I287 HydrophobicContact CG-CG2 3.76Å; Y255-F288 HydrophobicContact CD1-CB 4.12Å
256	L	97.4	Very high	94.5	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.089	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	3.7	-172.1	-55.9	173.2	0	0	0	116.2	Y104 R112 L254 L266 T267	Y104-L256 HydrophobicContact CE1-CB 4.34Å; R112-L256 WeakPolarHBondContact CB-O 3.46Å; R112-L256 WeakPolarHBondContact CD-O 3.23Å; L254-L256 PolarHBondContact O-N 2.95Å; L256-L266 WeakPolarHBondContact CA-O 3.12Å; L256-L266 PolarHBondContact N-O 3.02Å; L256-T267 HydrophobicContact CD2-CG2 4.38Å
257	S	96.7	Very high	94.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.237	C	C	.	.			trans	-99.6	140.3	175.8	-92.2	0	0	0	0	113.3	Y104 R112 C114 R253 L254 Y255 P265 L266	Y104-S257 WeakPolarHBondContact OH-CB 3.49Å; Y104-S257 PolarHBondContact OH-N 3.47Å; Y104-S257 VanDerWaalsContact OH-N 3.14Å; Y104-S257 PolarHBondContact OH-OG 3.37Å; R112-S257 CarbonylContact O-C 3.58Å; R112-S257 WeakPolarHBondContact O-CA 3.35Å; R112-S257 VanDerWaalsContact O-CB 3.25Å; R112-S257 WeakPolarHBondContact O-CB 3.27Å; R112-S257 PolarHBondContact O-OG 2.73Å; C114-S257 PolarHBondContact N-OG 3.07Å; C114-S257 WeakPolarHBondContact O-CB 3.06Å; R253-S257 VanDerWaalsContact CD-O 3.31Å; R253-S257 WeakPolarHBondContact CD-O 3.27Å; L254-S257 WeakPolarHBondContact O-CB 3.42Å; L254-S257 PolarHBondContact O-N 3.26Å; Y255-S257 PolarHBondContact O-N 2.98Å; S257-P265 WeakPolarHBondContact O-CA 3.27Å; S257-L266 PolarHBondContact O-N 2.83Å
258	S	94.8	Very high	94.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.021	23%	0.231	C	C	.	.			trans	-106.2	160.5	170.3	71.5	0	0	0	0	110.8	R112 H113 Q262	R112-S258 PolarHBondContact O-N 2.83Å; H113-S258 PolarHBondContact CE1-OG 2.64Å; H113-S258 VanDerWaalsContact CE1-OG 3.22Å; H113-S258 PolarHBondContact ND1-O 2.99Å; H113-S258 PolarHBondContact ND1-OG 3.21Å; S258-Q262 WeakPolarHBondContact CB-O 3.5Å; S258-Q262 PolarHBondContact OG-O 3.26Å
259	K	92.1	Very high	94.9	Very high	73 Å²	73	42 Å²	42	32%	0.317	20%	0.202	S	C	.	.			trans	-65.9	149.6	168.4	-70.1	174.8	177.8	172.1	0	109.1	K261 Q262	K259-K261 PolarHBondContact O-N 2.96Å; K259-Q262 HydrophobicContact CB-CB 4.31Å; K259-Q262 HydrophobicContact CB-CG 4.04Å; K259-Q262 WeakPolarHBondContact O-CB 3.5Å; K259-Q262 PolarHBondContact O-N 3.09Å
260	L	87.7	Confident	94.8	Very high	45 Å²	45	47.1 Å²	47.1	24%	0.236	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	132.4	178.2	-172.2	71.3	0	0	0	109.8	E82 H113 Q262	E82-L260 HydrophobicContact CB-CB 4.25Å; E82-L260 HydrophobicContact CB-CD2 4.25Å; E82-L260 VanDerWaalsContact OE2-CB 3.25Å; E82-L260 WeakPolarHBondContact OE2-CB 3.35Å; H113-L260 VanDerWaalsContact CD2-CD1 3.45Å; H113-L260 WeakPolarHBondContact CD2-CD1 3.37Å; L260-Q262 VanDerWaalsContact C-N 3.26Å; L260-Q262 PolarHBondContact O-N 3.19Å
261	K	86.3	Confident	94.7	Very high	186 Å²	186	46.5 Å²	46.5	81%	0.809	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	5.7	-174.1	-46.4	176.8	-179.4	177.1	0	115.9	K259	K259-K261 PolarHBondContact O-N 2.96Å
262	Q	89.4	Confident	94.7	Very high	83 Å²	83	46.7 Å²	46.7	39%	0.388	25%	0.248	S	C	.	.			trans	-110.7	156.8	171.1	-53.4	-172.5	-12.1	0	0	110.9	S258 K259 L260 N264	S258-Q262 WeakPolarHBondContact CB-O 3.5Å; S258-Q262 PolarHBondContact OG-O 3.26Å; K259-Q262 HydrophobicContact CB-CB 4.31Å; K259-Q262 HydrophobicContact CB-CG 4.04Å; K259-Q262 WeakPolarHBondContact O-CB 3.5Å; K259-Q262 PolarHBondContact O-N 3.09Å; L260-Q262 VanDerWaalsContact C-N 3.26Å; L260-Q262 PolarHBondContact O-N 3.19Å; Q262-N264 WeakPolarHBondContact CB-OD1 3.36Å; Q262-N264 PolarHBondContact OE1-OD1 3.31Å
263	Q	89.8	Confident	94.5	Very high	145 Å²	145	47.8 Å²	47.8	68%	0.678	26%	0.257	S	S	*	.			trans	-121.5	30.1	-176.7	-61.6	-66.7	2.6	0	0	112.7	P265	Q263-P265 WeakPolarHBondContact O-CD 3.33Å
264	N	94.1	Very high	94.4	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.128	26%	0.256	C	S	.	.			trans	-113.5	84.2	176.5	59.5	-39.5	0	0	0	109.9	S175 T177 R253 Q262	S175-N264 PolarHBondContact O-ND2 2.95Å; T177-N264 HydrophobicContact CG2-CB 3.68Å; R253-N264 PolarHBondContact NH1-O 2.62Å; Q262-N264 WeakPolarHBondContact CB-OD1 3.36Å; Q262-N264 PolarHBondContact OE1-OD1 3.31Å
265	P	96.7	Very high	94.1	Very high	43 Å²	43	48 Å²	48	28%	0.279	26%	0.258	S	S	.	.			trans	-66.4	149.4	173.7	29.3	-33.8	0	0	0	110.7	S257 Q263 T267	S257-P265 WeakPolarHBondContact O-CA 3.27Å; Q263-P265 WeakPolarHBondContact O-CD 3.33Å; P265-T267 HydrophobicContact CG-CG2 4.2Å; P265-T267 PolarHBondContact O-N 3.23Å
266	L	97.8	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-66.9	120.9	167.5	-78.3	159.9	0	0	0	109.5	L173 D174 H184 R253 Y255 L256 S257	L173-L266 HydrophobicContact CB-CB 4.43Å; L173-L266 HydrophobicContact CB-CD2 4Å; D174-L266 CarbonylContact O-C 3.56Å; D174-L266 WeakPolarHBondContact O-CA 3.33Å; H184-L266 HydrophobicContact CB-CD2 4.33Å; H184-L266 VanDerWaalsContact CE1-CD1 3.45Å; H184-L266 WeakPolarHBondContact CE1-CD1 3.46Å; H184-L266 VanDerWaalsContact ND1-CD1 3.35Å; H184-L266 WeakPolarHBondContact ND1-CD1 3.5Å; R253-L266 HydrophobicContact CB-CD1 3.82Å; R253-L266 HydrophobicContact CG-CD1 3.84Å; R253-L266 VanDerWaalsContact O-CD1 3.3Å; R253-L266 WeakPolarHBondContact O-CD1 3.28Å; Y255-L266 VanDerWaalsContact CD2-O 3.23Å; Y255-L266 WeakPolarHBondContact CD2-O 3.4Å; L256-L266 WeakPolarHBondContact CA-O 3.12Å; L256-L266 PolarHBondContact N-O 3.02Å; S257-L266 PolarHBondContact O-N 2.83Å
267	T	97.6	Very high	92.9	Very high	58 Å²	58	56 Å²	56	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	166.5	179.4	56.1	0	0	0	0	110.3	L173 D174 L256 P265 A269	L173-T267 CarbonylContact C-O 3.54Å; L173-T267 WeakPolarHBondContact CA-O 3.45Å; D174-T267 PolarHBondContact N-O 3.37Å; D174-T267 PolarHBondContact O-N 3.47Å; D174-T267 PolarHBondContact O-OG1 3Å; L256-T267 HydrophobicContact CD2-CG2 4.38Å; P265-T267 HydrophobicContact CG-CG2 4.2Å; P265-T267 PolarHBondContact O-N 3.23Å; T267-A269 PolarHBondContact O-N 2.86Å
268	L	97.1	Very high	92.1	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.23	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.6	177.1	-166.1	71	0	0	0	109.2	L171 L173 C272 Y275 E282 I287	L171-L268 HydrophobicContact CD1-CD1 3.54Å; L173-L268 HydrophobicContact CD2-CD1 4.34Å; L268-C272 HydrophobicContact CD1-CB 3.94Å; L268-C272 VanDerWaalsContact CD1-SG 3.56Å; L268-C272 HydrophobicContact CG-CB 3.93Å; L268-Y275 HydrophobicContact CD1-CD2 4.49Å; L268-Y275 HydrophobicContact CD1-CE2 4.12Å; L268-Y275 HydrophobicContact CD2-CD2 4.23Å; L268-Y275 HydrophobicContact CD2-CE2 4.4Å; L268-E282 HydrophobicContact CD2-CG 4.15Å; L268-I287 HydrophobicContact CB-CD1 4.41Å; L268-I287 HydrophobicContact CD2-CD1 4.33Å
269	A	97.1	Very high	91.1	Very high	5 Å²	5	72 Å²	72	4%	0.041	37%	0.37	C	S	.	.			trans	-63.5	143.8	175.4	0	0	0	0	0	110.7	D172 D174 R183 T267 S271 C272	D172-A269 HydrophobicContact CB-CB 4.12Å; D172-A269 PolarHBondContact O-N 3.36Å; D174-A269 HydrophobicContact CB-CB 4.1Å; R183-A269 VanDerWaalsContact NH2-CB 3.3Å; T267-A269 PolarHBondContact O-N 2.86Å; A269-S271 PolarHBondContact O-N 3.32Å; A269-C272 HydrophobicContact CB-CB 4.34Å; A269-C272 WeakPolarHBondContact O-CB 3.42Å; A269-C272 PolarHBondContact O-N 3.15Å
270	S	93.8	Very high	90.2	Very high	121 Å²	121	75.2 Å²	75.2	85%	0.846	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.9	178.3	55.7	0	0	0	0	112.9
271	S	93.5	Very high	89.8	Confident	60 Å²	60	80.8 Å²	80.8	42%	0.42	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2.4	175.8	51.1	0	0	0	0	114.4	E143 R183 A269 S273	E143-S271 PolarHBondContact OE1-OG 2.92Å; E143-S271 WeakPolarHBondContact OE2-CB 3.43Å; E143-S271 PolarHBondContact OE2-OG 3.15Å; R183-S271 PolarHBondContact NH2-OG 3.39Å; A269-S271 PolarHBondContact O-N 3.32Å; S271-S273 PolarHBondContact O-N 3.24Å
272	C	95.3	Very high	89.7	Confident	26 Å²	26	75.2 Å²	75.2	18%	0.176	38%	0.384	C	S	.	.			trans	-66.2	123.7	-178.4	-174.3	0	0	0	0	111.9	D172 L268 A269	D172-C272 HydrophobicContact CB-CB 4Å; D172-C272 PolarHBondContact N-SG 3.12Å; D172-C272 VanDerWaalsContact N-SG 3.41Å; L268-C272 HydrophobicContact CD1-CB 3.94Å; L268-C272 VanDerWaalsContact CD1-SG 3.56Å; L268-C272 HydrophobicContact CG-CB 3.93Å; A269-C272 HydrophobicContact CB-CB 4.34Å; A269-C272 WeakPolarHBondContact O-CB 3.42Å; A269-C272 PolarHBondContact O-N 3.15Å
273	S	93.6	Very high	89.9	Confident	35 Å²	35	73.7 Å²	73.7	25%	0.245	38%	0.382	C	S	.	.			trans	-101.8	1.6	180	67.8	0	0	0	0	114.3	T167 D168 S271 Y275 S276	T167-S273 PolarHBondContact O-OG 2.78Å; D168-S273 WeakPolarHBondContact CB-O 3.22Å; S271-S273 PolarHBondContact O-N 3.24Å; S273-Y275 PolarHBondContact O-N 2.85Å; S273-Y275 VanDerWaalsContact O-N 3.09Å; S273-S276 VanDerWaalsContact O-CB 3.25Å; S273-S276 WeakPolarHBondContact O-CB 3.23Å; S273-S276 PolarHBondContact O-N 2.88Å; S273-S276 PolarHBondContact O-OG 2.85Å
274	F	94.7	Very high	90.1	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.026	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	-173.5	-172.6	-109.4	0	0	0	115.2	D168 L171 H188 K278 D290	D168-F274 WeakPolarHBondContact O-CA 3.29Å; D168-F274 WeakPolarHBondContact O-CD2 3.32Å; L171-F274 HydrophobicContact CB-CB 4.46Å; L171-F274 HydrophobicContact CB-CD1 4.15Å; L171-F274 HydrophobicContact CB-CD2 4.12Å; L171-F274 HydrophobicContact CB-CE1 4.36Å; L171-F274 HydrophobicContact CB-CE2 4.39Å; L171-F274 HydrophobicContact CB-CG 4Å; L171-F274 HydrophobicContact CD1-CB 4.28Å; L171-F274 HydrophobicContact CD1-CD1 3.82Å; L171-F274 HydrophobicContact CD1-CE1 4.39Å; L171-F274 HydrophobicContact CD1-CG 4.18Å; H188-F274 HydrophobicContact CB-CE2 4.01Å; H188-F274 HydrophobicContact CB-CZ 4.37Å; H188-F274 AromaticContact CD2-CE2 3.49Å; H188-F274 VanDerWaalsContact CD2-CE2 3.49Å; H188-F274 WeakPolarHBondContact CD2-CE2 3.44Å; H188-F274 AromaticContact CD2-CZ 3.44Å; H188-F274 VanDerWaalsContact CD2-CZ 3.44Å; H188-F274 WeakPolarHBondContact CD2-CZ 3.44Å; H188-F274 AromaticContact CE1-CZ 3.8Å; H188-F274 AromaticContact CG-CE2 3.74Å; H188-F274 AromaticContact CG-CZ 3.69Å; H188-F274 AromaticContact ND1-CZ 3.94Å; H188-F274 AromaticContact NE2-CZ 3.54Å; F274-K278 VanDerWaalsContact CZ-NZ 3.34Å; F274-K278 WeakPolarHBondContact O-CE 3.49Å; F274-D290 HydrophobicContact CE1-CB 3.78Å; F274-D290 WeakPolarHBondContact CE1-OD2 3.47Å; F274-D290 HydrophobicContact CZ-CB 4.23Å
275	Y	93	Very high	90.2	Very high	18 Å²	18	75 Å²	75	7%	0.071	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-4.2	179.2	-63	-80.6	0	0	0	113.4	L171 L268 S273 N277 K278 E282 D286 I287 D290	L171-Y275 HydrophobicContact CD1-CE2 3.84Å; L268-Y275 HydrophobicContact CD1-CD2 4.49Å; L268-Y275 HydrophobicContact CD1-CE2 4.12Å; L268-Y275 HydrophobicContact CD2-CD2 4.23Å; L268-Y275 HydrophobicContact CD2-CE2 4.4Å; S273-Y275 PolarHBondContact O-N 2.85Å; S273-Y275 VanDerWaalsContact O-N 3.09Å; Y275-N277 VanDerWaalsContact C-N 3.29Å; Y275-N277 PolarHBondContact O-N 3.33Å; Y275-K278 HydrophobicContact CD1-CD 3.67Å; Y275-K278 HydrophobicContact CE1-CD 4.15Å; Y275-K278 PolarHBondContact O-N 3.44Å; Y275-E282 HydrophobicContact CD1-CB 3.63Å; Y275-E282 HydrophobicContact CD2-CB 3.78Å; Y275-E282 HydrophobicContact CD2-CG 4.08Å; Y275-E282 HydrophobicContact CE1-CB 3.77Å; Y275-E282 HydrophobicContact CE2-CB 3.87Å; Y275-E282 HydrophobicContact CE2-CG 4.31Å; Y275-E282 HydrophobicContact CG-CB 3.68Å; Y275-E282 HydrophobicContact CG-CG 4.32Å; Y275-D286 HydrophobicContact CE1-CB 4.5Å; Y275-I287 HydrophobicContact CE2-CG1 3.9Å; Y275-I287 VanDerWaalsContact OH-CA 3.27Å; Y275-I287 WeakPolarHBondContact OH-CA 3.13Å; Y275-I287 PolarHBondContact OH-N 2.89Å; Y275-D290 PolarHBondContact OH-OD2 3.38Å
276	S	87.4	Confident	90.1	Very high	79 Å²	79	73.6 Å²	73.6	55%	0.552	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-38	-172.9	61.6	0	0	0	0	113.7	S273	S273-S276 VanDerWaalsContact O-CB 3.25Å; S273-S276 WeakPolarHBondContact O-CB 3.23Å; S273-S276 PolarHBondContact O-N 2.88Å; S273-S276 PolarHBondContact O-OG 2.85Å
277	N	81.6	Confident	90	Very high	121 Å²	121	73.9 Å²	73.9	65%	0.647	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	0	178.7	-69.8	-33.1	0	0	0	113.7	D168 Y275	D168-N277 PolarHBondContact OD2-ND2 2.79Å; Y275-N277 VanDerWaalsContact C-N 3.29Å; Y275-N277 PolarHBondContact O-N 3.33Å
278	K	80.6	Confident	90	Very high	76 Å²	76	71.1 Å²	71.1	33%	0.33	36%	0.358	S	S	.	.	S	Bend	trans	-85.7	132	179.6	-64.1	-172.8	-174.8	173.4	0	109.1	F274 Y275 R280 D290	F274-K278 VanDerWaalsContact CZ-NZ 3.34Å; F274-K278 WeakPolarHBondContact O-CE 3.49Å; Y275-K278 HydrophobicContact CD1-CD 3.67Å; Y275-K278 HydrophobicContact CE1-CD 4.15Å; Y275-K278 PolarHBondContact O-N 3.44Å; K278-R280 PolarHBondContact O-N 3.39Å; K278-D290 IonicContact NZ-OD2 3.55Å; K278-D290 PolarHBondContact NZ-OD2 2.83Å
279	R	73.6	Confident	90	Very high	264 Å²	264	71 Å²	71	100%	0.996	36%	0.356	S	S	*	.	S	Bend	trans	-67.4	4.3	-177.5	-64.1	-175.6	179.8	-178.3	-0.4	115
280	R	73	Confident	89.9	Confident	141 Å²	141	72.1 Å²	72.1	53%	0.532	36%	0.361	S	S	.	.	S	Bend	trans	-135.4	141.5	-175.8	65.3	-177	-178	130.7	2.6	109.6	K278 D286	K278-R280 PolarHBondContact O-N 3.39Å; R280-D286 VanDerWaalsContact CZ-CG 3.47Å; R280-D286 IonicContact CZ-OD1 3.39Å; R280-D286 IonicContact CZ-OD2 2.63Å; R280-D286 IonicContact NH1-OD1 3.02Å; R280-D286 PolarHBondContact NH1-OD1 3.48Å; R280-D286 IonicContact NH1-OD2 2.77Å; R280-D286 PolarHBondContact NH1-OD2 2.66Å; R280-D286 VanDerWaalsContact NH2-CG 3.26Å; R280-D286 IonicContact NH2-OD1 2.86Å; R280-D286 PolarHBondContact NH2-OD1 3.04Å; R280-D286 IonicContact NH2-OD2 2.83Å
281	M	78.8	Confident	90.1	Very high	161 Å²	161	66.8 Å²	66.8	79%	0.793	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.9	168.3	-174.2	178.4	150.1	0	0	109.2	S283	M281-S283 PolarHBondContact O-N 2.77Å
282	E	85.2	Confident	90.3	Very high	70 Å²	70	64.2 Å²	64.2	33%	0.327	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-65.2	125.5	177.3	67.8	-70.2	173	0	0	110.7	L268 Y275 I287	L268-E282 HydrophobicContact CD2-CG 4.15Å; Y275-E282 HydrophobicContact CD1-CB 3.63Å; Y275-E282 HydrophobicContact CD2-CB 3.78Å; Y275-E282 HydrophobicContact CD2-CG 4.08Å; Y275-E282 HydrophobicContact CE1-CB 3.77Å; Y275-E282 HydrophobicContact CE2-CB 3.87Å; Y275-E282 HydrophobicContact CE2-CG 4.31Å; Y275-E282 HydrophobicContact CG-CB 3.68Å; Y275-E282 HydrophobicContact CG-CG 4.32Å; E282-I287 HydrophobicContact CB-CD1 4.27Å; E282-I287 HydrophobicContact CB-CG1 4.13Å; E282-I287 HydrophobicContact CG-CD1 3.83Å; E282-I287 HydrophobicContact CG-CG1 4.21Å
283	S	92.8	Very high	90.5	Very high	50 Å²	50	63 Å²	63	35%	0.35	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-90.6	155.9	166.1	70.8	0	0	0	0	109.9	M281 R285 D286 I287	M281-S283 PolarHBondContact O-N 2.77Å; S283-R285 PolarHBondContact O-N 2.95Å; S283-R285 VanDerWaalsContact O-N 3.09Å; S283-D286 WeakPolarHBondContact CB-OD2 3.33Å; S283-D286 PolarHBondContact N-OD2 3.46Å; S283-D286 PolarHBondContact O-N 2.85Å; S283-D286 PolarHBondContact OG-N 3.22Å; S283-D286 VanDerWaalsContact OG-N 3.16Å; S283-D286 PolarHBondContact OG-OD2 3.23Å; S283-I287 PolarHBondContact O-N 3.48Å; S283-I287 VanDerWaalsContact O-N 3.07Å
284	E	95	Very high	90.6	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-52.9	-33.8	172.3	-63.9	-172.6	151.2	0	0	111.9	W101 Y255 F288	W101-E284 HydrophobicContact CH2-CB 3.87Å; W101-E284 HydrophobicContact CZ2-CB 4.05Å; Y255-E284 HydrophobicContact CE1-CB 4.33Å; E284-F288 WeakPolarHBondContact O-CB 3.44Å; E284-F288 PolarHBondContact O-N 3.47Å
285	R	95.6	Very high	90.6	Very high	97 Å²	97	61.5 Å²	61.5	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-50.2	175	-177.5	179.1	-178.4	-75.4	-1.6	110.6	E98 W101 S283 I287 F288 F289	E98-R285 IonicContact OE1-CZ 3.78Å; E98-R285 IonicContact OE1-NH2 3.97Å; E98-R285 PolarHBondContact OE1-NH2 2.98Å; E98-R285 IonicContact OE2-CZ 3.64Å; E98-R285 IonicContact OE2-NE 3.8Å; E98-R285 IonicContact OE2-NH2 2.68Å; E98-R285 PolarHBondContact OE2-NH2 3.34Å; W101-R285 VanDerWaalsContact CZ2-CA 3.49Å; W101-R285 HydrophobicContact CZ2-CB 3.93Å; S283-R285 PolarHBondContact O-N 2.95Å; S283-R285 VanDerWaalsContact O-N 3.09Å; R285-I287 VanDerWaalsContact C-N 3.32Å; R285-I287 PolarHBondContact O-N 2.74Å; R285-F288 WeakPolarHBondContact O-CB 3.36Å; R285-F288 PolarHBondContact O-N 2.71Å; R285-F289 HydrophobicContact CG-CD2 3.8Å; R285-F289 HydrophobicContact CG-CE2 3.81Å; R285-F289 VanDerWaalsContact O-CD2 3.28Å; R285-F289 WeakPolarHBondContact O-CD2 3.33Å; R285-F289 PolarHBondContact O-N 2.82Å
286	D	94.5	Very high	90.2	Very high	14 Å²	14	64.2 Å²	64.2	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-45.1	-179.2	-61.4	-52.8	0	0	0	111.1	Y275 R280 S283 F288 F289 D290	Y275-D286 HydrophobicContact CE1-CB 4.5Å; R280-D286 VanDerWaalsContact CZ-CG 3.47Å; R280-D286 IonicContact CZ-OD1 3.39Å; R280-D286 IonicContact CZ-OD2 2.63Å; R280-D286 IonicContact NH1-OD1 3.02Å; R280-D286 PolarHBondContact NH1-OD1 3.48Å; R280-D286 IonicContact NH1-OD2 2.77Å; R280-D286 PolarHBondContact NH1-OD2 2.66Å; R280-D286 VanDerWaalsContact NH2-CG 3.26Å; R280-D286 IonicContact NH2-OD1 2.86Å; R280-D286 PolarHBondContact NH2-OD1 3.04Å; R280-D286 IonicContact NH2-OD2 2.83Å; S283-D286 WeakPolarHBondContact CB-OD2 3.33Å; S283-D286 PolarHBondContact N-OD2 3.46Å; S283-D286 PolarHBondContact O-N 2.85Å; S283-D286 PolarHBondContact OG-N 3.22Å; S283-D286 VanDerWaalsContact OG-N 3.16Å; S283-D286 PolarHBondContact OG-OD2 3.23Å; D286-F288 VanDerWaalsContact C-N 3.35Å; D286-F288 PolarHBondContact O-N 2.93Å; D286-F289 PolarHBondContact O-N 3.44Å; D286-D290 VanDerWaalsContact O-CB 3.28Å; D286-D290 WeakPolarHBondContact O-CB 3.15Å; D286-D290 PolarHBondContact O-N 3.5Å
287	I	96.7	Very high	90.3	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-44.5	176.8	-56.8	165.6	0	0	0	111.2	L173 Y255 L268 Y275 E282 S283 R285 F289 D290 S291	L173-I287 HydrophobicContact CD2-CG2 4.09Å; Y255-I287 HydrophobicContact CD1-CB 4.11Å; Y255-I287 HydrophobicContact CD1-CG2 3.8Å; Y255-I287 HydrophobicContact CD2-CG2 3.65Å; Y255-I287 HydrophobicContact CE1-CB 3.77Å; Y255-I287 HydrophobicContact CE1-CG2 3.74Å; Y255-I287 HydrophobicContact CE2-CB 4.38Å; Y255-I287 HydrophobicContact CE2-CD1 4.48Å; Y255-I287 HydrophobicContact CE2-CG2 3.59Å; Y255-I287 HydrophobicContact CG-CG2 3.76Å; L268-I287 HydrophobicContact CB-CD1 4.41Å; L268-I287 HydrophobicContact CD2-CD1 4.33Å; Y275-I287 HydrophobicContact CE2-CG1 3.9Å; Y275-I287 VanDerWaalsContact OH-CA 3.27Å; Y275-I287 WeakPolarHBondContact OH-CA 3.13Å; Y275-I287 PolarHBondContact OH-N 2.89Å; E282-I287 HydrophobicContact CB-CD1 4.27Å; E282-I287 HydrophobicContact CB-CG1 4.13Å; E282-I287 HydrophobicContact CG-CD1 3.83Å; E282-I287 HydrophobicContact CG-CG1 4.21Å; S283-I287 PolarHBondContact O-N 3.48Å; S283-I287 VanDerWaalsContact O-N 3.07Å; R285-I287 VanDerWaalsContact C-N 3.32Å; R285-I287 PolarHBondContact O-N 2.74Å; I287-F289 PolarHBondContact O-N 2.96Å; I287-D290 PolarHBondContact O-N 2.81Å; I287-S291 WeakPolarHBondContact O-CB 3.4Å; I287-S291 PolarHBondContact O-N 2.57Å; I287-S291 PolarHBondContact O-OG 2.89Å
288	F	97.4	Very high	90.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.9	-52.6	177	175.3	-98.8	0	0	0	111.9	F79 V97 F100 W101 Y104 L254 Y255 E284 R285 D286 S291 L292	F79-F288 HydrophobicContact CE1-CZ 4.39Å; F79-F288 HydrophobicContact CZ-CZ 4.38Å; V97-F288 HydrophobicContact CG1-CE1 4.06Å; F100-F288 HydrophobicContact CD1-CE1 4.45Å; F100-F288 HydrophobicContact CD1-CE2 4.27Å; F100-F288 AromaticContact CD1-CZ 3.61Å; F100-F288 HydrophobicContact CD1-CZ 3.61Å; F100-F288 HydrophobicContact CE1-CE2 4.01Å; F100-F288 AromaticContact CE1-CZ 3.81Å; F100-F288 HydrophobicContact CE1-CZ 3.81Å; W101-F288 HydrophobicContact CB-CD1 4.13Å; W101-F288 HydrophobicContact CB-CE1 3.96Å; W101-F288 HydrophobicContact CD2-CB 4.32Å; W101-F288 AromaticContact CD2-CD1 3.92Å; W101-F288 HydrophobicContact CD2-CD1 3.92Å; W101-F288 HydrophobicContact CD2-CG 4.09Å; W101-F288 HydrophobicContact CE3-CB 3.63Å; W101-F288 AromaticContact CE3-CD1 3.48Å; W101-F288 HydrophobicContact CE3-CD1 3.48Å; W101-F288 VanDerWaalsContact CE3-CD1 3.48Å; W101-F288 AromaticContact CE3-CD2 3.63Å; W101-F288 HydrophobicContact CE3-CD2 3.63Å; W101-F288 HydrophobicContact CE3-CE1 4.05Å; W101-F288 HydrophobicContact CE3-CE2 4.17Å; W101-F288 AromaticContact CE3-CG 3.26Å; W101-F288 HydrophobicContact CE3-CG 3.26Å; W101-F288 HydrophobicContact CE3-CZ 4.37Å; W101-F288 HydrophobicContact CG-CD1 4.2Å; W101-F288 HydrophobicContact CH2-CB 4.04Å; W101-F288 HydrophobicContact CZ3-CB 3.47Å; W101-F288 VanDerWaalsContact CZ3-CB 3.47Å; W101-F288 HydrophobicContact CZ3-CD1 4.22Å; W101-F288 AromaticContact CZ3-CD2 3.75Å; W101-F288 HydrophobicContact CZ3-CD2 3.75Å; W101-F288 AromaticContact CZ3-CG 3.54Å; W101-F288 HydrophobicContact CZ3-CG 3.54Å; Y104-F288 HydrophobicContact CD1-CD2 4.36Å; Y104-F288 HydrophobicContact CD1-CE2 4.19Å; Y104-F288 HydrophobicContact CE1-CD2 4.31Å; Y104-F288 HydrophobicContact CE1-CE2 4.31Å; L254-F288 HydrophobicContact CD1-CE2 4.19Å; L254-F288 HydrophobicContact CD2-CE2 4.39Å; Y255-F288 HydrophobicContact CD1-CB 4.12Å; E284-F288 WeakPolarHBondContact O-CB 3.44Å; E284-F288 PolarHBondContact O-N 3.47Å; R285-F288 WeakPolarHBondContact O-CB 3.36Å; R285-F288 PolarHBondContact O-N 2.71Å; D286-F288 VanDerWaalsContact C-N 3.35Å; D286-F288 PolarHBondContact O-N 2.93Å; F288-S291 PolarHBondContact O-N 3.36Å; F288-S291 PolarHBondContact O-OG 3.13Å; F288-L292 HydrophobicContact CE1-CD1 4.28Å; F288-L292 HydrophobicContact CZ-CD2 4.16Å; F288-L292 PolarHBondContact O-N 3.23Å
289	F	96.2	Very high	91.4	Very high	41 Å²	41	68.3 Å²	68.3	18%	0.18	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-35.3	-178.1	-81.4	-90.8	0	0	0	113.1	V97 E98 W101 R125 R285 D286 I287 S291 L292	V97-F289 HydrophobicContact CB-CE1 4.11Å; V97-F289 HydrophobicContact CG1-CD1 4.06Å; V97-F289 HydrophobicContact CG1-CE1 3.44Å; V97-F289 VanDerWaalsContact CG1-CE1 3.44Å; V97-F289 HydrophobicContact CG1-CZ 3.95Å; E98-F289 HydrophobicContact CG-CZ 4.24Å; E98-F289 WeakPolarHBondContact OE1-CZ 3.42Å; E98-F289 VanDerWaalsContact OE2-CZ 3.32Å; E98-F289 WeakPolarHBondContact OE2-CZ 3.5Å; W101-F289 HydrophobicContact CB-CE2 4.1Å; W101-F289 HydrophobicContact CB-CZ 4.37Å; W101-F289 HydrophobicContact CG-CE2 4.07Å; R125-F289 PolarHBondContact NH1-O 3.04Å; R285-F289 HydrophobicContact CG-CD2 3.8Å; R285-F289 HydrophobicContact CG-CE2 3.81Å; R285-F289 VanDerWaalsContact O-CD2 3.28Å; R285-F289 WeakPolarHBondContact O-CD2 3.33Å; R285-F289 PolarHBondContact O-N 2.82Å; D286-F289 PolarHBondContact O-N 3.44Å; I287-F289 PolarHBondContact O-N 2.96Å; F289-S291 VanDerWaalsContact C-N 3.27Å; F289-S291 PolarHBondContact O-N 3.17Å; F289-L292 HydrophobicContact CD1-CD1 4.43Å; F289-L292 PolarHBondContact O-N 2.97Å
290	D	95.8	Very high	92.2	Very high	29 Å²	29	61.2 Å²	61.2	16%	0.155	30%	0.297	C	S	.	.	H	α-helix	trans	-72.6	-21.3	175.8	-73.6	-20.1	0	0	0	112	R125 L171 H188 F274 Y275 K278 D286 I287	R125-D290 PolarHBondContact NH1-O 2.93Å; L171-D290 HydrophobicContact CD2-CB 4.16Å; H188-D290 PolarHBondContact CE1-O 3.13Å; H188-D290 IonicContact CE1-OD1 3.7Å; H188-D290 PolarHBondContact NE2-O 3.33Å; F274-D290 HydrophobicContact CE1-CB 3.78Å; F274-D290 WeakPolarHBondContact CE1-OD2 3.47Å; F274-D290 HydrophobicContact CZ-CB 4.23Å; Y275-D290 PolarHBondContact OH-OD2 3.38Å; K278-D290 IonicContact NZ-OD2 3.55Å; K278-D290 PolarHBondContact NZ-OD2 2.83Å; D286-D290 VanDerWaalsContact O-CB 3.28Å; D286-D290 WeakPolarHBondContact O-CB 3.15Å; D286-D290 PolarHBondContact O-N 3.5Å; I287-D290 PolarHBondContact O-N 2.81Å
291	S	97.8	Very high	93.2	Very high	9 Å²	9	57.3 Å²	57.3	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-83.5	-12.5	176.2	75	0	0	0	0	115.5	I287 F288 F289	I287-S291 WeakPolarHBondContact O-CB 3.4Å; I287-S291 PolarHBondContact O-N 2.57Å; I287-S291 PolarHBondContact O-OG 2.89Å; F288-S291 PolarHBondContact O-N 3.36Å; F288-S291 PolarHBondContact O-OG 3.13Å; F289-S291 VanDerWaalsContact C-N 3.27Å; F289-S291 PolarHBondContact O-N 3.17Å
292	L	98	Very high	93.9	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.264	C	S	.	.			trans	-68.4	136.6	178.3	-62.5	175.6	0	0	0	110.5	K77 F79 V97 R125 L254 F288 F289	K77-L292 HydrophobicContact CD-CD1 4.32Å; F79-L292 HydrophobicContact CE1-CD2 4.07Å; F79-L292 HydrophobicContact CZ-CD2 4.41Å; V97-L292 HydrophobicContact CG1-CD1 3.47Å; V97-L292 VanDerWaalsContact CG1-CD1 3.47Å; R125-L292 WeakPolarHBondContact CD-O 3.34Å; R125-L292 PolarHBondContact NH1-O 2.83Å; L254-L292 HydrophobicContact CD2-CD2 4.01Å; F288-L292 HydrophobicContact CE1-CD1 4.28Å; F288-L292 HydrophobicContact CZ-CD2 4.16Å; F288-L292 PolarHBondContact O-N 3.23Å; F289-L292 HydrophobicContact CD1-CD1 4.43Å; F289-L292 PolarHBondContact O-N 2.97Å
293	I	98.3	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.			trans	-91.7	-48.2	-174.3	-71.7	164.9	0	0	0	111.1	E116 I118 C124 R125 Y127 I186 F252 A295	E116-I293 PolarHBondContact OE1-N 2.75Å; E116-I293 PolarHBondContact OE2-N 3.43Å; I118-I293 HydrophobicContact CD1-CB 4Å; I118-I293 HydrophobicContact CD1-CD1 3.75Å; I118-I293 HydrophobicContact CD1-CG1 4.5Å; I118-I293 HydrophobicContact CD1-CG2 3.65Å; I118-I293 HydrophobicContact CG1-CB 4.03Å; I118-I293 HydrophobicContact CG1-CG2 3.87Å; I118-I293 HydrophobicContact CG2-CG2 4.24Å; C124-I293 CarbonylContact C-O 3.42Å; C124-I293 WeakPolarHBondContact CA-O 3.29Å; C124-I293 HydrophobicContact CB-CG2 3.92Å; C124-I293 WeakPolarHBondContact CB-O 3.42Å; R125-I293 PolarHBondContact N-O 3.1Å; Y127-I293 HydrophobicContact CD1-CB 4.39Å; Y127-I293 HydrophobicContact CD1-CD1 3.94Å; Y127-I293 HydrophobicContact CD1-CG1 4.14Å; Y127-I293 HydrophobicContact CD1-CG2 3.38Å; Y127-I293 HydrophobicContact CD2-CD1 3.56Å; Y127-I293 HydrophobicContact CE1-CD1 4.39Å; Y127-I293 HydrophobicContact CE1-CG2 3.57Å; Y127-I293 HydrophobicContact CE2-CD1 4.05Å; Y127-I293 HydrophobicContact CG-CD1 3.5Å; Y127-I293 VanDerWaalsContact CG-CD1 3.5Å; Y127-I293 HydrophobicContact CG-CG1 3.97Å; Y127-I293 HydrophobicContact CG-CG2 4.09Å; I186-I293 HydrophobicContact CG1-CG1 4.44Å; F252-I293 HydrophobicContact CB-CD1 4.01Å; F252-I293 HydrophobicContact CD1-CD1 3.14Å; F252-I293 HydrophobicContact CD1-CG1 4.46Å; F252-I293 HydrophobicContact CD2-CD1 4.46Å; F252-I293 HydrophobicContact CE1-CD1 3.57Å; F252-I293 HydrophobicContact CG-CD1 3.63Å; F252-I293 HydrophobicContact CZ-CD1 4.42Å; I293-A295 PolarHBondContact O-N 3.09Å
294	E	96.8	Very high	93.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-69.9	125.2	177.2	172.4	-159.8	105	0	0	108.1	K77 E116 R119 E122	K77-E294 WeakPolarHBondContact CE-O 3.45Å; K77-E294 VanDerWaalsContact NZ-C 3.34Å; K77-E294 PolarHBondContact NZ-O 3.37Å; K77-E294 IonicContact NZ-OE1 3.28Å; K77-E294 PolarHBondContact NZ-OE1 2.87Å; E116-E294 WeakPolarHBondContact OE1-CB 3.33Å; E116-E294 PolarHBondContact OE1-N 3.13Å; E116-E294 VanDerWaalsContact OE1-N 3.09Å; R119-E294 WeakPolarHBondContact CB-OE2 3.42Å; R119-E294 WeakPolarHBondContact CG-OE2 3.44Å; R119-E294 IonicContact CZ-OE1 2.77Å; R119-E294 IonicContact CZ-OE2 3.13Å; R119-E294 PolarHBondContact N-OE2 3.29Å; R119-E294 VanDerWaalsContact N-OE2 3.17Å; R119-E294 VanDerWaalsContact NE-CD 3.35Å; R119-E294 IonicContact NE-OE1 3.64Å; R119-E294 PolarHBondContact NE-OE1 3.27Å; R119-E294 IonicContact NE-OE2 3.63Å; R119-E294 PolarHBondContact NE-OE2 2.95Å; R119-E294 IonicContact NH2-OE1 2.78Å; R119-E294 PolarHBondContact NH2-OE1 3.42Å; R119-E294 IonicContact NH2-OE2 3.99Å; E122-E294 HydrophobicContact CB-CG 3.91Å
295	A	93.6	Very high	93.2	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	26%	0.264	C	S	.	.			trans	-91.2	120.2	-169.6	0	0	0	0	0	110.6	P123 V194 I293 Y298	P123-A295 PolarHBondContact O-N 3.47Å; V194-A295 HydrophobicContact CB-CB 4.36Å; V194-A295 HydrophobicContact CG1-CB 3.72Å; V194-A295 HydrophobicContact CG2-CB 4.47Å; I293-A295 PolarHBondContact O-N 3.09Å; A295-Y298 HydrophobicContact CB-CD1 4.04Å
296	T	86.4	Confident	92.4	Very high	74 Å²	74	44.5 Å²	44.5	45%	0.454	25%	0.25	S	C	.	.	S	Bend	trans	-92.8	-16.1	173.9	53.7	0	0	0	0	112.9	E74	E74-T296 WeakPolarHBondContact O-CB 3.3Å; E74-T296 VanDerWaalsContact O-CG2 3.32Å; E74-T296 WeakPolarHBondContact O-CG2 3.46Å
297	S	87.7	Confident	91.3	Very high	104 Å²	104	49.1 Å²	49.1	73%	0.727	27%	0.271	S	S	*	.	S	Bend	trans	-139.9	118.4	176.7	-179.4	0	0	0	0	109.1
298	Y	93.3	Very high	89.9	Confident	98 Å²	98	51.3 Å²	51.3	38%	0.384	28%	0.281	S	S	.	.			trans	-153.3	159.4	178.5	61	-88.6	0	0	0	108.4	P123 V194 A295	P123-Y298 HydrophobicContact CB-CD1 4.18Å; P123-Y298 HydrophobicContact CB-CE1 3.69Å; P123-Y298 HydrophobicContact CG-CE1 3.67Å; P123-Y298 WeakPolarHBondContact CG-OH 3.25Å; V194-Y298 HydrophobicContact CG1-CG 4.43Å; V194-Y298 HydrophobicContact CG2-CD1 4.01Å; V194-Y298 HydrophobicContact CG2-CD2 3.64Å; V194-Y298 HydrophobicContact CG2-CE2 4.28Å; V194-Y298 HydrophobicContact CG2-CG 3.49Å; V194-Y298 VanDerWaalsContact CG2-CG 3.49Å; A295-Y298 HydrophobicContact CB-CD1 4.04Å
299	K	93.7	Very high	88.6	Confident	161 Å²	161	52.8 Å²	52.8	70%	0.7	29%	0.29	S	S	*	.	S	Bend	trans	-94.1	-38.6	177.4	-63	-170.9	-176.5	174.5	0	111.7	N191 G192	N191-K299 WeakPolarHBondContact O-CD 3.35Å; G192-K299 PolarHBondContact O-N 2.8Å
300	H	90.7	Very high	87.3	Confident	115 Å²	115	52.4 Å²	52.4	53%	0.532	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.3	-173.7	-50.9	63.7	0	0	0	109.3	G192 T193 V194	G192-H300 PolarHBondContact O-N 2.91Å; T193-H300 WeakPolarHBondContact CA-O 3.43Å; V194-H300 PolarHBondContact N-O 3.15Å
301	S	93.7	Very high	86.4	Confident	58 Å²	58	57.9 Å²	57.9	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.5	167.6	59.5	0	0	0	0	110.5	V194	V194-S301 CarbonylContact O-C 3.46Å; V194-S301 VanDerWaalsContact O-CA 3.23Å; V194-S301 WeakPolarHBondContact O-CA 3.45Å
302	I	92.5	Very high	85.3	Confident	43 Å²	43	59.5 Å²	59.5	22%	0.221	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.7	175.6	57.7	171.3	0	0	0	110	L161 I163 L189 T193 V194 F195 K196	L161-I302 HydrophobicContact CD2-CD1 4.4Å; I163-I302 HydrophobicContact CD1-CD1 4.13Å; L189-I302 HydrophobicContact CD1-CD1 4.16Å; T193-I302 HydrophobicContact CG2-CB 4.47Å; T193-I302 HydrophobicContact CG2-CD1 4.3Å; T193-I302 HydrophobicContact CG2-CG1 4.16Å; T193-I302 HydrophobicContact CG2-CG2 3.62Å; V194-I302 WeakPolarHBondContact O-CG1 3.5Å; V194-I302 PolarHBondContact O-N 3.28Å; F195-I302 HydrophobicContact CD1-CD1 4.44Å; F195-I302 HydrophobicContact CD1-CG1 4.34Å; F195-I302 HydrophobicContact CD2-CD1 4.46Å; F195-I302 HydrophobicContact CE1-CD1 4.21Å; F195-I302 HydrophobicContact CE2-CD1 4.21Å; F195-I302 HydrophobicContact CG-CG1 4.38Å; F195-I302 HydrophobicContact CZ-CD1 4.1Å; K196-I302 WeakPolarHBondContact CB-O 3.31Å; K196-I302 PolarHBondContact N-O 3.36Å
303	S	89.7	Confident	84.4	Confident	81 Å²	81	61.9 Å²	61.9	57%	0.566	34%	0.344	S	S	*	.			trans	-97.3	144.1	168.6	-56.2	0	0	0	0	109.9	K196 E200	K196-S303 WeakPolarHBondContact CD-OG 3.41Å; E200-S303 WeakPolarHBondContact OE2-CA 3.33Å; E200-S303 VanDerWaalsContact OE2-CB 3.23Å; E200-S303 WeakPolarHBondContact OE2-CB 2.95Å
304	Y	88.4	Confident	83.3	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.035	35%	0.345	C	S	.	.			trans	-130.9	112.7	177.3	-171.4	-87	0	0	0	110.8	L160 L161 F195 E200 N203 F204 D207	L160-Y304 HydrophobicContact CB-CE2 4.26Å; L161-Y304 HydrophobicContact CD2-CD2 3.37Å; L161-Y304 HydrophobicContact CD2-CE2 3.66Å; L161-Y304 HydrophobicContact CD2-CG 4.44Å; F195-Y304 HydrophobicContact CE1-CG 4.33Å; E200-Y304 PolarHBondContact OE2-N 3.34Å; N203-Y304 HydrophobicContact CB-CD1 3.72Å; N203-Y304 HydrophobicContact CB-CE1 4.17Å; F204-Y304 HydrophobicContact CB-CD1 3.85Å; F204-Y304 HydrophobicContact CB-CD2 4.13Å; F204-Y304 HydrophobicContact CB-CE1 3.88Å; F204-Y304 HydrophobicContact CB-CE2 4.13Å; F204-Y304 HydrophobicContact CB-CG 3.98Å; F204-Y304 HydrophobicContact CD2-CD2 4.45Å; F204-Y304 AromaticContact CD2-CE2 3.91Å; F204-Y304 HydrophobicContact CD2-CE2 3.91Å; D207-Y304 WeakPolarHBondContact OD2-CE1 3.49Å; D207-Y304 VanDerWaalsContact OD2-CZ 3.29Å; D207-Y304 PolarHBondContact OD2-OH 3.21Å
305	A	80.3	Confident	82.5	Confident	65 Å²	65	66.6 Å²	66.6	54%	0.537	37%	0.366	S	S	.	.			trans	-86.7	132.3	169.1	0	0	0	0	0	108.8	Q307	A305-Q307 VanDerWaalsContact O-CG 3.31Å; A305-Q307 WeakPolarHBondContact O-CG 3.38Å; A305-Q307 PolarHBondContact O-N 2.94Å
306	P	79.2	Confident	81.9	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.071	36%	0.363	C	S	.	.			trans	-52.1	135.1	171.4	-23	31.2	0	0	0	111.2	N203 D207 S331 C332 P333	N203-P306 HydrophobicContact CB-CG 3.8Å; D207-P306 WeakPolarHBondContact OD2-CA 3.07Å; P306-S331 WeakPolarHBondContact CD-O 3.32Å; P306-S331 VanDerWaalsContact CG-O 3.29Å; P306-S331 WeakPolarHBondContact CG-O 3.5Å; P306-C332 HydrophobicContact CB-CB 3.92Å; P306-C332 WeakPolarHBondContact O-CA 3.1Å; P306-C332 WeakPolarHBondContact O-CB 3.4Å; P306-P333 WeakPolarHBondContact O-CD 3.34Å
307	Q	71.2	Confident	81.5	Confident	112 Å²	112	66.1 Å²	66.1	52%	0.523	36%	0.363	S	S	.	.			trans	-119.4	-22.5	-178.3	-52.7	-175	27.2	0	0	111.7	D207 A305	D207-Q307 PolarHBondContact OD2-N 3Å; A305-Q307 VanDerWaalsContact O-CG 3.31Å; A305-Q307 WeakPolarHBondContact O-CG 3.38Å; A305-Q307 PolarHBondContact O-N 2.94Å
308	F	67.7	Low	81.2	Confident	52 Å²	52	66.4 Å²	66.4	23%	0.228	36%	0.357	C	S	.	.			trans	-75.4	136.8	-173.8	-164.8	-91.1	0	0	0	111.9	D207 S210 A211	D207-F308 HydrophobicContact CB-CB 3.85Å; D207-F308 WeakPolarHBondContact OD1-CB 3.29Å; D207-F308 PolarHBondContact OD1-N 3.29Å; D207-F308 VanDerWaalsContact OD1-N 3.17Å; D207-F308 PolarHBondContact OD2-N 3.29Å; S210-F308 VanDerWaalsContact C-CZ 3.48Å; S210-F308 WeakPolarHBondContact O-CZ 3.35Å; A211-F308 VanDerWaalsContact CA-CE2 3.42Å; A211-F308 HydrophobicContact CB-CD2 4.06Å; A211-F308 HydrophobicContact CB-CE2 3.71Å
309	C	70.7	Confident	80.6	Confident	30 Å²	30	64.1 Å²	64.1	20%	0.203	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.3	170.1	-53.2	0	0	0	0	108.5	H311 E328 C332 W359	C309-H311 PolarHBondContact O-ND1 2.93Å; C309-E328 CarbonylContact C-O 3.49Å; C309-E328 WeakPolarHBondContact CA-O 3.36Å; C309-E328 WeakPolarHBondContact CB-O 3.44Å; C309-C332 VanDerWaalsContact SG-SG 3.66Å; C309-W359 HydrophobicContact CB-CH2 4.04Å; C309-W359 HydrophobicContact CB-CZ2 4.27Å; C309-W359 WeakPolarHBondContact SG-CZ2 3.33Å
310	S	68.7	Low	80	Confident	34 Å²	34	67.4 Å²	67.4	24%	0.238	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.8	172.5	36.7	0	0	0	0	109.1	S327 E328	S310-S327 CarbonylContact O-C 3.59Å; S310-S327 VanDerWaalsContact O-CA 3.24Å; S310-S327 WeakPolarHBondContact O-CA 3.04Å; S310-E328 PolarHBondContact N-O 3.27Å; S310-E328 PolarHBondContact O-N 2.62Å; S310-E328 WeakPolarHBondContact OG-CB 3.28Å; S310-E328 PolarHBondContact OG-O 2.77Å; S310-E328 PolarHBondContact OG-OE2 3.31Å
311	H	75.5	Confident	79.3	Confident	144 Å²	144	64.7 Å²	64.7	67%	0.667	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.6	173.3	-65.7	75.5	0	0	0	108.4	C309 V326	C309-H311 PolarHBondContact O-ND1 2.93Å; H311-V326 CarbonylContact C-O 3.6Å; H311-V326 VanDerWaalsContact CA-O 3.3Å; H311-V326 WeakPolarHBondContact CA-O 3.44Å
312	F	75.4	Confident	78.6	Confident	43 Å²	43	68 Å²	68	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	169.5	-178.2	54.5	-83.9	0	0	0	111.2	V314 V326 E328 F360 L458	F312-V314 HydrophobicContact CD2-CG2 3.52Å; F312-V314 HydrophobicContact CE2-CG2 3.24Å; F312-V314 HydrophobicContact CZ-CG2 4.45Å; F312-V326 HydrophobicContact CD2-CB 4.17Å; F312-V326 HydrophobicContact CD2-CG1 4.32Å; F312-V326 HydrophobicContact CE1-CG1 4.27Å; F312-V326 HydrophobicContact CE2-CB 4.04Å; F312-V326 HydrophobicContact CE2-CG1 3.69Å; F312-V326 HydrophobicContact CZ-CB 4.3Å; F312-V326 HydrophobicContact CZ-CG1 3.64Å; F312-V326 PolarHBondContact N-O 3.33Å; F312-V326 WeakPolarHBondContact O-CB 3.34Å; F312-V326 PolarHBondContact O-N 2.84Å; F312-V326 VanDerWaalsContact O-N 3.09Å; F312-E328 HydrophobicContact CE1-CB 3.64Å; F312-E328 HydrophobicContact CZ-CB 4.2Å; F312-F360 HydrophobicContact CZ-CD1 4.05Å; F312-F360 AromaticContact CZ-CE1 3.97Å; F312-F360 HydrophobicContact CZ-CE1 3.97Å; F312-L458 HydrophobicContact CE2-CD2 3.94Å
313	A	78	Confident	77.9	Confident	56 Å²	56	66.6 Å²	66.6	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.1	169.7	0	0	0	0	0	110.1	F323	A313-F323 CarbonylContact C-O 3.4Å; A313-F323 WeakPolarHBondContact CA-O 3.38Å; A313-F323 WeakPolarHBondContact CB-O 3.42Å
314	V	76.1	Confident	77.1	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.2	171.8	-178.6	0	0	0	0	108.9	F312 F316 Q322 F323 V326 L458	F312-V314 HydrophobicContact CD2-CG2 3.52Å; F312-V314 HydrophobicContact CE2-CG2 3.24Å; F312-V314 HydrophobicContact CZ-CG2 4.45Å; V314-F316 HydrophobicContact CB-CZ 4.5Å; V314-F316 HydrophobicContact CG1-CD1 3.7Å; V314-F316 HydrophobicContact CG1-CE1 3.27Å; V314-F316 HydrophobicContact CG1-CE2 4.38Å; V314-F316 HydrophobicContact CG1-CG 4.44Å; V314-F316 HydrophobicContact CG1-CZ 3.66Å; V314-Q322 WeakPolarHBondContact O-CA 3.44Å; V314-F323 PolarHBondContact N-O 3.46Å; V314-F323 PolarHBondContact O-N 3.49Å; V314-V326 HydrophobicContact CB-CG2 4.09Å; V314-V326 HydrophobicContact CG2-CB 4.15Å; V314-V326 HydrophobicContact CG2-CG1 4.15Å; V314-V326 HydrophobicContact CG2-CG2 3.77Å; V314-L458 HydrophobicContact CG2-CD2 4.34Å
315	H	80.9	Confident	76.7	Confident	97 Å²	97	71.8 Å²	71.8	45%	0.449	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.3	169.5	-176.6	57.7	0	0	0	109	P317 V321 Q454	H315-P317 VanDerWaalsContact O-CD 3.29Å; H315-P317 WeakPolarHBondContact O-CD 3.3Å; H315-V321 PolarHBondContact ND1-O 2.98Å; H315-Q454 PolarHBondContact O-NE2 3.03Å; H315-Q454 PolarHBondContact O-OE1 3.38Å
316	F	81.1	Confident	76.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	93.8	173.2	-67.5	-39.3	0	0	0	108.7	V314 N318 L319 R320 V321 F323 L362 M447 E450 F451	V314-F316 HydrophobicContact CB-CZ 4.5Å; V314-F316 HydrophobicContact CG1-CD1 3.7Å; V314-F316 HydrophobicContact CG1-CE1 3.27Å; V314-F316 HydrophobicContact CG1-CE2 4.38Å; V314-F316 HydrophobicContact CG1-CG 4.44Å; V314-F316 HydrophobicContact CG1-CZ 3.66Å; F316-N318 PolarHBondContact O-N 3.04Å; F316-L319 HydrophobicContact CB-CB 4.1Å; F316-L319 HydrophobicContact CB-CD1 4.25Å; F316-L319 HydrophobicContact CB-CG 4.32Å; F316-L319 HydrophobicContact CD2-CD1 4.31Å; F316-L319 PolarHBondContact O-N 3.45Å; F316-R320 PolarHBondContact O-N 3.28Å; F316-V321 PolarHBondContact N-O 2.68Å; F316-F323 AromaticContact CD2-CD2 3.71Å; F316-F323 HydrophobicContact CD2-CD2 3.71Å; F316-F323 AromaticContact CD2-CE2 3.58Å; F316-F323 HydrophobicContact CD2-CE2 3.58Å; F316-F323 AromaticContact CE2-CD2 3.6Å; F316-F323 HydrophobicContact CE2-CD2 3.6Å; F316-F323 AromaticContact CE2-CE2 3.64Å; F316-F323 HydrophobicContact CE2-CE2 3.64Å; F316-L362 HydrophobicContact CE2-CD2 3.83Å; F316-L362 HydrophobicContact CZ-CD2 3.98Å; F316-M447 HydrophobicContact CD2-CG 4.5Å; F316-M447 HydrophobicContact CE2-CB 4.46Å; F316-M447 HydrophobicContact CE2-CE 4.22Å; F316-M447 HydrophobicContact CE2-CG 4.43Å; F316-E450 HydrophobicContact CB-CG 3.87Å; F316-E450 HydrophobicContact CD1-CB 3.94Å; F316-E450 HydrophobicContact CD1-CG 3.31Å; F316-E450 HydrophobicContact CE1-CB 4.28Å; F316-E450 HydrophobicContact CE1-CG 4.02Å; F316-E450 HydrophobicContact CG-CB 4.26Å; F316-E450 HydrophobicContact CG-CG 3.75Å; F316-F451 HydrophobicContact CZ-CB 4.39Å; F316-F451 HydrophobicContact CZ-CD2 4.22Å
317	P	77.9	Confident	77	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-37.9	-172.5	-20.4	31.9	0	0	0	112	H315 L319 R320	H315-P317 VanDerWaalsContact O-CD 3.29Å; H315-P317 WeakPolarHBondContact O-CD 3.3Å; P317-L319 PolarHBondContact O-N 2.97Å; P317-R320 PolarHBondContact O-N 3.41Å
318	N	81.5	Confident	77.7	Confident	110 Å²	110	63.7 Å²	63.7	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23	-179.7	-66.8	-33.1	0	0	0	113.4	F316 E450	F316-N318 PolarHBondContact O-N 3.04Å; N318-E450 VanDerWaalsContact ND2-CD 3.32Å; N318-E450 PolarHBondContact ND2-OE1 3.35Å; N318-E450 VanDerWaalsContact ND2-OE1 3.13Å; N318-E450 PolarHBondContact ND2-OE2 3.39Å
319	L	80.1	Confident	78.5	Confident	50 Å²	50	61.2 Å²	61.2	26%	0.262	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.7	178.1	-56.9	178.5	0	0	0	112.6	F316 P317 V321 K446 M447	F316-L319 HydrophobicContact CB-CB 4.1Å; F316-L319 HydrophobicContact CB-CD1 4.25Å; F316-L319 HydrophobicContact CB-CG 4.32Å; F316-L319 HydrophobicContact CD2-CD1 4.31Å; F316-L319 PolarHBondContact O-N 3.45Å; P317-L319 PolarHBondContact O-N 2.97Å; L319-V321 HydrophobicContact CB-CB 4.44Å; L319-V321 HydrophobicContact CB-CG2 4.06Å; L319-V321 WeakPolarHBondContact O-CG2 3.4Å; L319-V321 PolarHBondContact O-N 3.09Å; L319-K446 HydrophobicContact CD1-CB 4.21Å; L319-K446 HydrophobicContact CD2-CB 3.78Å; L319-K446 HydrophobicContact CD2-CD 4.07Å; L319-K446 HydrophobicContact CD2-CG 4.41Å; L319-M447 HydrophobicContact CD1-CB 4.38Å; L319-M447 HydrophobicContact CD1-CG 3.69Å
320	R	80.3	Confident	78.8	Confident	229 Å²	229	64.2 Å²	64.2	86%	0.864	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	33.2	-171.5	-55.6	-179.4	-179.5	176.4	-0.2	112.4	F316 P317	F316-R320 PolarHBondContact O-N 3.28Å; P317-R320 PolarHBondContact O-N 3.41Å
321	V	77.3	Confident	79	Confident	59 Å²	59	64.6 Å²	64.6	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.7	176.7	-172.2	0	0	0	0	109.2	H315 F316 L319 F323	H315-V321 PolarHBondContact ND1-O 2.98Å; F316-V321 PolarHBondContact N-O 2.68Å; L319-V321 HydrophobicContact CB-CB 4.44Å; L319-V321 HydrophobicContact CB-CG2 4.06Å; L319-V321 WeakPolarHBondContact O-CG2 3.4Å; L319-V321 PolarHBondContact O-N 3.09Å; V321-F323 HydrophobicContact CB-CE2 3.97Å; V321-F323 HydrophobicContact CB-CZ 4.44Å; V321-F323 HydrophobicContact CG1-CD2 4.06Å; V321-F323 HydrophobicContact CG1-CE1 4.31Å; V321-F323 HydrophobicContact CG1-CE2 3.36Å; V321-F323 HydrophobicContact CG1-CZ 3.49Å; V321-F323 VanDerWaalsContact CG1-CZ 3.49Å
322	Q	77.8	Confident	79	Confident	127 Å²	127	58.1 Å²	58.1	59%	0.593	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.3	171.8	-176.9	176.6	-6.9	0	0	109.2	V314	V314-Q322 WeakPolarHBondContact O-CA 3.44Å
323	F	77.3	Confident	79.5	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.7	174.6	-68.9	-83.2	0	0	0	108.1	A313 V314 F316 V321 V326 L362 S364 A365 M447	A313-F323 CarbonylContact C-O 3.4Å; A313-F323 WeakPolarHBondContact CA-O 3.38Å; A313-F323 WeakPolarHBondContact CB-O 3.42Å; V314-F323 PolarHBondContact N-O 3.46Å; V314-F323 PolarHBondContact O-N 3.49Å; F316-F323 AromaticContact CD2-CD2 3.71Å; F316-F323 HydrophobicContact CD2-CD2 3.71Å; F316-F323 AromaticContact CD2-CE2 3.58Å; F316-F323 HydrophobicContact CD2-CE2 3.58Å; F316-F323 AromaticContact CE2-CD2 3.6Å; F316-F323 HydrophobicContact CE2-CD2 3.6Å; F316-F323 AromaticContact CE2-CE2 3.64Å; F316-F323 HydrophobicContact CE2-CE2 3.64Å; V321-F323 HydrophobicContact CB-CE2 3.97Å; V321-F323 HydrophobicContact CB-CZ 4.44Å; V321-F323 HydrophobicContact CG1-CD2 4.06Å; V321-F323 HydrophobicContact CG1-CE1 4.31Å; V321-F323 HydrophobicContact CG1-CE2 3.36Å; V321-F323 HydrophobicContact CG1-CZ 3.49Å; V321-F323 VanDerWaalsContact CG1-CZ 3.49Å; F323-V326 HydrophobicContact CB-CG2 3.64Å; F323-L362 HydrophobicContact CD1-CD2 4.47Å; F323-L362 HydrophobicContact CD2-CD2 4.2Å; F323-L362 HydrophobicContact CG-CD2 4.17Å; F323-S364 WeakPolarHBondContact CD1-OG 3.21Å; F323-S364 WeakPolarHBondContact CE1-OG 3.3Å; F323-A365 HydrophobicContact CE1-CB 3.91Å; F323-A365 HydrophobicContact CZ-CB 4.4Å; F323-M447 HydrophobicContact CD2-CE 4.33Å; F323-M447 HydrophobicContact CE1-CE 3.74Å; F323-M447 HydrophobicContact CE1-SD 4.5Å; F323-M447 HydrophobicContact CE2-CE 3.47Å; F323-M447 VanDerWaalsContact CE2-CE 3.47Å; F323-M447 HydrophobicContact CE2-SD 4.1Å; F323-M447 HydrophobicContact CZ-CE 3.14Å; F323-M447 HydrophobicContact CZ-SD 3.6Å
324	T	74.4	Confident	80	Confident	82 Å²	82	57 Å²	57	50%	0.503	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-19.9	-178.3	50.8	0	0	0	0	113.4
325	H	79.1	Confident	80.5	Confident	117 Å²	117	59 Å²	59	54%	0.542	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	62.6	-177.3	-59.1	-79.1	0	0	0	110	E363	H325-E363 HydrophobicContact CB-CB 4.35Å; H325-E363 PolarHBondContact O-N 2.73Å
326	V	81.8	Confident	80.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.6	169.6	-170.8	0	0	0	0	107.7	H311 F312 V314 F323 H361 L362	H311-V326 CarbonylContact C-O 3.6Å; H311-V326 VanDerWaalsContact CA-O 3.3Å; H311-V326 WeakPolarHBondContact CA-O 3.44Å; F312-V326 HydrophobicContact CD2-CB 4.17Å; F312-V326 HydrophobicContact CD2-CG1 4.32Å; F312-V326 HydrophobicContact CE1-CG1 4.27Å; F312-V326 HydrophobicContact CE2-CB 4.04Å; F312-V326 HydrophobicContact CE2-CG1 3.69Å; F312-V326 HydrophobicContact CZ-CB 4.3Å; F312-V326 HydrophobicContact CZ-CG1 3.64Å; F312-V326 PolarHBondContact N-O 3.33Å; F312-V326 WeakPolarHBondContact O-CB 3.34Å; F312-V326 PolarHBondContact O-N 2.84Å; F312-V326 VanDerWaalsContact O-N 3.09Å; V314-V326 HydrophobicContact CB-CG2 4.09Å; V314-V326 HydrophobicContact CG2-CB 4.15Å; V314-V326 HydrophobicContact CG2-CG1 4.15Å; V314-V326 HydrophobicContact CG2-CG2 3.77Å; F323-V326 HydrophobicContact CB-CG2 3.64Å; V326-H361 WeakPolarHBondContact CA-O 3.49Å; V326-L362 HydrophobicContact CG1-CD1 3.91Å; V326-L362 HydrophobicContact CG1-CG 4.12Å; V326-L362 HydrophobicContact CG2-CG 3.96Å
327	S	85.2	Confident	81.2	Confident	11 Å²	11	57.5 Å²	57.5	8%	0.077	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.4	172.4	45.9	0	0	0	0	110	S310 F360 H361	S310-S327 CarbonylContact O-C 3.59Å; S310-S327 VanDerWaalsContact O-CA 3.24Å; S310-S327 WeakPolarHBondContact O-CA 3.04Å; S327-F360 CarbonylContact O-C 3.48Å; S327-F360 WeakPolarHBondContact O-CA 3.43Å; S327-H361 PolarHBondContact N-O 3.44Å; S327-H361 PolarHBondContact O-N 2.94Å; S327-H361 WeakPolarHBondContact OG-CB 3.28Å; S327-H361 PolarHBondContact OG-O 3.24Å
328	E	85.6	Confident	81.9	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.5	175	168.9	-170.1	-140.5	0	0	108.9	C309 S310 F312 F330 R358 W359 F360	C309-E328 CarbonylContact C-O 3.49Å; C309-E328 WeakPolarHBondContact CA-O 3.36Å; C309-E328 WeakPolarHBondContact CB-O 3.44Å; S310-E328 PolarHBondContact N-O 3.27Å; S310-E328 PolarHBondContact O-N 2.62Å; S310-E328 WeakPolarHBondContact OG-CB 3.28Å; S310-E328 PolarHBondContact OG-O 2.77Å; S310-E328 PolarHBondContact OG-OE2 3.31Å; F312-E328 HydrophobicContact CE1-CB 3.64Å; F312-E328 HydrophobicContact CZ-CB 4.2Å; E328-F330 HydrophobicContact CG-CD2 4.15Å; E328-F330 HydrophobicContact CG-CE2 3.76Å; E328-F330 HydrophobicContact CG-CZ 4.4Å; E328-F330 WeakPolarHBondContact OE1-CE2 3.26Å; E328-F330 WeakPolarHBondContact OE1-CZ 3.19Å; E328-R358 HydrophobicContact CG-CG 4.4Å; E328-R358 IonicContact OE1-CZ 3.28Å; E328-R358 IonicContact OE1-NE 3.6Å; E328-R358 PolarHBondContact OE1-NE 2.78Å; E328-R358 IonicContact OE1-NH2 3.53Å; E328-R358 PolarHBondContact OE1-NH2 2.95Å; E328-W359 CarbonylContact C-O 3.48Å; E328-W359 VanDerWaalsContact CA-O 3.24Å; E328-W359 WeakPolarHBondContact CA-O 3.44Å; E328-F360 HydrophobicContact CB-CD1 3.66Å; E328-F360 HydrophobicContact CB-CE1 3.92Å; E328-F360 VanDerWaalsContact CD-CE1 3.47Å; E328-F360 HydrophobicContact CG-CD1 3.82Å; E328-F360 HydrophobicContact CG-CE1 3.7Å; E328-F360 HydrophobicContact CG-CZ 4.4Å; E328-F360 WeakPolarHBondContact OE1-CE1 3.3Å; E328-F360 WeakPolarHBondContact OE1-CZ 3.47Å
329	G	83.4	Confident	82.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141	175.2	0	0	0	0	0	111.4	C332 R358 W359	G329-C332 WeakPolarHBondContact CA-SG 3.19Å; G329-R358 CarbonylContact O-C 3.43Å; G329-R358 WeakPolarHBondContact O-CA 3.34Å; G329-W359 VanDerWaalsContact CA-CE2 3.47Å; G329-W359 PolarHBondContact N-O 3.42Å; G329-W359 PolarHBondContact O-N 3.07Å
330	F	78	Confident	83	Confident	92 Å²	92	48.3 Å²	48.3	40%	0.404	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.9	173.4	-75.8	-85.5	0	0	0	110.2	E328 C332 R358	E328-F330 HydrophobicContact CG-CD2 4.15Å; E328-F330 HydrophobicContact CG-CE2 3.76Å; E328-F330 HydrophobicContact CG-CZ 4.4Å; E328-F330 WeakPolarHBondContact OE1-CE2 3.26Å; E328-F330 WeakPolarHBondContact OE1-CZ 3.19Å; F330-C332 PolarHBondContact O-N 3.31Å; F330-R358 HydrophobicContact CD1-CB 3.96Å; F330-R358 HydrophobicContact CD1-CG 3.76Å; F330-R358 HydrophobicContact CE1-CB 4.06Å; F330-R358 HydrophobicContact CE1-CG 3.54Å; F330-R358 HydrophobicContact CG-CG 4.36Å; F330-R358 HydrophobicContact CZ-CG 3.96Å
331	S	72.3	Confident	83.6	Confident	43 Å²	43	45.6 Å²	45.6	30%	0.301	24%	0.243	S	C	.	.	S	Bend	trans	53.5	20.4	-179.2	-57.9	0	0	0	0	113.9	P306 R357	P306-S331 WeakPolarHBondContact CD-O 3.32Å; P306-S331 VanDerWaalsContact CG-O 3.29Å; P306-S331 WeakPolarHBondContact CG-O 3.5Å; S331-R357 PolarHBondContact N-O 3.42Å; S331-R357 PolarHBondContact OG-O 2.77Å
332	C	76.7	Confident	84.5	Confident	8 Å²	8	45.1 Å²	45.1	5%	0.054	24%	0.236	C	C	.	.	S	Bend	trans	-104.4	159.1	172.7	63.3	0	0	0	0	110.3	P306 C309 G329 F330 W359	P306-C332 HydrophobicContact CB-CB 3.92Å; P306-C332 WeakPolarHBondContact O-CA 3.1Å; P306-C332 WeakPolarHBondContact O-CB 3.4Å; C309-C332 VanDerWaalsContact SG-SG 3.66Å; G329-C332 WeakPolarHBondContact CA-SG 3.19Å; F330-C332 PolarHBondContact O-N 3.31Å; C332-W359 PolarHBondContact O-NE1 3.42Å; C332-W359 VanDerWaalsContact O-NE1 3.08Å
333	P	84.9	Confident	85.3	Confident	68 Å²	68	39.1 Å²	39.1	44%	0.442	21%	0.208	S	C	.	.			trans	-58.4	152.6	178	-24	34.6	0	0	0	113	P306 N340 W359	P306-P333 WeakPolarHBondContact O-CD 3.34Å; P333-N340 WeakPolarHBondContact CA-OD1 3.44Å; P333-W359 WeakPolarHBondContact O-CZ2 3.48Å; P333-W359 PolarHBondContact O-NE1 2.86Å
334	L	88.8	Confident	86.1	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.228	C	C	.	.			trans	-63.1	153.7	169.6	-58	180	0	0	0	110.9	F336 L339 N340 F343 I356 W359 L368 L370	L334-F336 PolarHBondContact O-N 2.85Å; L334-L339 HydrophobicContact CD1-CB 4.42Å; L334-L339 HydrophobicContact CD1-CD2 4.31Å; L334-L339 HydrophobicContact CD1-CG 4.15Å; L334-N340 HydrophobicContact CB-CB 4.03Å; L334-N340 HydrophobicContact CD1-CB 4.45Å; L334-N340 HydrophobicContact CG-CB 4.26Å; L334-N340 PolarHBondContact N-OD1 2.7Å; L334-F343 HydrophobicContact CD1-CD2 4.07Å; L334-I356 HydrophobicContact CD1-CD1 4.08Å; L334-I356 HydrophobicContact CD2-CD1 4.24Å; L334-I356 HydrophobicContact CG-CD1 4.13Å; L334-W359 HydrophobicContact CD2-CB 3.75Å; L334-W359 VanDerWaalsContact CD2-CD1 3.5Å; L334-W359 HydrophobicContact CD2-CD2 4.02Å; L334-W359 HydrophobicContact CD2-CG 3.47Å; L334-W359 VanDerWaalsContact CD2-CG 3.47Å; L334-L368 HydrophobicContact CD1-CD2 4.05Å; L334-L368 HydrophobicContact CD2-CD1 4.21Å; L334-L368 HydrophobicContact CD2-CD2 4.26Å; L334-L370 HydrophobicContact CD1-CD2 4.36Å; L334-L370 HydrophobicContact CD2-CD2 3.55Å
335	P	85.4	Confident	87	Confident	45 Å²	45	44 Å²	44	29%	0.292	23%	0.229	S	C	.	.	S	Bend	trans	-66.8	1	172.7	27.1	-32.8	0	0	0	113.5	W359	P335-W359 HydrophobicContact CG-CH2 4.16Å; P335-W359 HydrophobicContact CG-CZ3 4.27Å
336	F	88.9	Confident	87.8	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.208	C	C	.	.			trans	-121.3	95.3	177.4	-55.5	-84.7	0	0	0	108.6	L334 G338 L339 N340 H361 L396 L427 K429	L334-F336 PolarHBondContact O-N 2.85Å; F336-G338 VanDerWaalsContact C-N 3.29Å; F336-G338 PolarHBondContact O-N 2.85Å; F336-L339 HydrophobicContact CB-CB 3.68Å; F336-L339 HydrophobicContact CB-CD2 4.38Å; F336-L339 HydrophobicContact CD2-CD2 4.38Å; F336-L339 PolarHBondContact O-N 2.89Å; F336-L339 VanDerWaalsContact O-N 3.13Å; F336-N340 PolarHBondContact O-N 3.38Å; F336-H361 AromaticContact CE2-CE1 3.86Å; F336-H361 AromaticContact CE2-NE2 3.65Å; F336-H361 AromaticContact CZ-CE1 3.77Å; F336-H361 AromaticContact CZ-NE2 3.57Å; F336-L396 HydrophobicContact CE2-CD1 3.68Å; F336-L396 HydrophobicContact CE2-CD2 4.38Å; F336-L396 HydrophobicContact CZ-CD1 3.58Å; F336-L427 HydrophobicContact CD1-CD2 4.36Å; F336-K429 HydrophobicContact CD1-CG 3.95Å; F336-K429 HydrophobicContact CE1-CD 4.08Å; F336-K429 HydrophobicContact CE1-CG 3.45Å; F336-K429 VanDerWaalsContact CE1-CG 3.45Å; F336-K429 HydrophobicContact CZ-CG 4.41Å
337	P	89	Confident	88.4	Confident	65 Å²	65	39.7 Å²	39.7	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-58.4	-37.1	-173.9	-27.9	35.5	0	0	0	114.1	N340 R341	P337-N340 WeakPolarHBondContact O-CB 3.25Å; P337-N340 PolarHBondContact O-N 3.42Å; P337-R341 WeakPolarHBondContact O-CG 3.47Å; P337-R341 PolarHBondContact O-N 2.82Å; P337-R341 VanDerWaalsContact O-N 3.15Å
338	G	91.4	Very high	88.7	Confident	25 Å²	25	41.5 Å²	41.5	26%	0.258	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-48.4	175.5	0	0	0	0	0	111.9	F336 N340 R341 F342	F336-G338 VanDerWaalsContact C-N 3.29Å; F336-G338 PolarHBondContact O-N 2.85Å; G338-N340 VanDerWaalsContact C-N 3.32Å; G338-N340 PolarHBondContact O-N 2.9Å; G338-R341 PolarHBondContact O-N 3.29Å; G338-F342 PolarHBondContact O-N 2.85Å
339	L	93.6	Very high	89.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-35.3	176.8	-166	63.6	0	0	0	112.4	L334 F336 F342 F343 L368 V394 L396 F422 L426 L427	L334-L339 HydrophobicContact CD1-CB 4.42Å; L334-L339 HydrophobicContact CD1-CD2 4.31Å; L334-L339 HydrophobicContact CD1-CG 4.15Å; F336-L339 HydrophobicContact CB-CB 3.68Å; F336-L339 HydrophobicContact CB-CD2 4.38Å; F336-L339 HydrophobicContact CD2-CD2 4.38Å; F336-L339 PolarHBondContact O-N 2.89Å; F336-L339 VanDerWaalsContact O-N 3.13Å; L339-F342 HydrophobicContact CD1-CD1 4.21Å; L339-F342 WeakPolarHBondContact O-CB 3.35Å; L339-F342 PolarHBondContact O-N 3.06Å; L339-F343 HydrophobicContact CD1-CD2 4.1Å; L339-F343 HydrophobicContact CD1-CE2 3.69Å; L339-F343 HydrophobicContact CD2-CE2 4.26Å; L339-F343 HydrophobicContact CG-CD2 3.9Å; L339-F343 HydrophobicContact CG-CE2 3.77Å; L339-F343 WeakPolarHBondContact O-CD2 3.46Å; L339-F343 PolarHBondContact O-N 2.95Å; L339-L368 HydrophobicContact CD2-CD2 3.71Å; L339-V394 HydrophobicContact CD2-CG1 4.3Å; L339-L396 HydrophobicContact CD2-CD2 3.9Å; L339-F422 HydrophobicContact CD1-CD1 4.48Å; L339-F422 HydrophobicContact CD1-CD2 4.04Å; L339-F422 HydrophobicContact CD1-CE1 4.47Å; L339-F422 HydrophobicContact CD1-CE2 4.06Å; L339-F422 HydrophobicContact CD1-CG 4.25Å; L339-F422 HydrophobicContact CD1-CZ 4.25Å; L339-L426 HydrophobicContact CB-CB 4.41Å; L339-L426 HydrophobicContact CD1-CB 4.42Å; L339-L426 HydrophobicContact CD1-CD1 4.33Å; L339-L426 PolarHBondContact N-O 3.15Å; L339-L427 HydrophobicContact CD2-CD2 4.43Å
340	N	92.6	Very high	89.5	Confident	14 Å²	14	53 Å²	53	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-53.6	175	-169.6	80.5	0	0	0	111	P333 L334 F336 P337 G338 F342 F343 E344	P333-N340 WeakPolarHBondContact CA-OD1 3.44Å; L334-N340 HydrophobicContact CB-CB 4.03Å; L334-N340 HydrophobicContact CD1-CB 4.45Å; L334-N340 HydrophobicContact CG-CB 4.26Å; L334-N340 PolarHBondContact N-OD1 2.7Å; F336-N340 PolarHBondContact O-N 3.38Å; P337-N340 WeakPolarHBondContact O-CB 3.25Å; P337-N340 PolarHBondContact O-N 3.42Å; G338-N340 VanDerWaalsContact C-N 3.32Å; G338-N340 PolarHBondContact O-N 2.9Å; N340-F342 VanDerWaalsContact C-N 3.3Å; N340-F342 PolarHBondContact O-N 3.49Å; N340-F343 PolarHBondContact O-N 2.72Å; N340-E344 PolarHBondContact ND2-OE1 3.31Å; N340-E344 PolarHBondContact ND2-OE2 3.23Å; N340-E344 WeakPolarHBondContact O-CG 3.38Å; N340-E344 PolarHBondContact O-N 3.39Å
341	R	93.4	Very high	90.2	Very high	172 Å²	172	52 Å²	52	65%	0.649	27%	0.266	S	S	*	.	H	α-helix	trans	-59.3	-42.2	177.7	-68.7	178	-169.9	161.9	4	111.7	P337 G338 F343 E344 D345	P337-R341 WeakPolarHBondContact O-CG 3.47Å; P337-R341 PolarHBondContact O-N 2.82Å; P337-R341 VanDerWaalsContact O-N 3.15Å; G338-R341 PolarHBondContact O-N 3.29Å; R341-F343 PolarHBondContact O-N 3.27Å; R341-E344 PolarHBondContact O-N 2.63Å; R341-D345 WeakPolarHBondContact O-CB 3.48Å; R341-D345 PolarHBondContact O-N 3Å
342	F	95.4	Very high	91	Very high	50 Å²	50	56.3 Å²	56.3	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-48.3	176.2	169.2	-95.3	0	0	0	112.3	G338 L339 N340 Y346 F401 F422 L426	G338-F342 PolarHBondContact O-N 2.85Å; L339-F342 HydrophobicContact CD1-CD1 4.21Å; L339-F342 WeakPolarHBondContact O-CB 3.35Å; L339-F342 PolarHBondContact O-N 3.06Å; N340-F342 VanDerWaalsContact C-N 3.3Å; N340-F342 PolarHBondContact O-N 3.49Å; F342-Y346 HydrophobicContact CZ-CD2 4.36Å; F342-Y346 WeakPolarHBondContact O-CB 3.43Å; F342-Y346 PolarHBondContact O-N 3.23Å; F342-F401 HydrophobicContact CE1-CD1 4.3Å; F342-F401 AromaticContact CE1-CE1 3.73Å; F342-F401 HydrophobicContact CE1-CE1 3.73Å; F342-F401 HydrophobicContact CE1-CZ 4.27Å; F342-F401 AromaticContact CZ-CE1 3.77Å; F342-F401 HydrophobicContact CZ-CE1 3.77Å; F342-F401 HydrophobicContact CZ-CZ 4.3Å; F342-F422 HydrophobicContact CE1-CB 4.3Å; F342-F422 HydrophobicContact CZ-CB 4.18Å; F342-L426 HydrophobicContact CB-CD1 3.66Å; F342-L426 HydrophobicContact CD1-CD1 4.44Å; F342-L426 HydrophobicContact CD2-CD1 3.94Å; F342-L426 HydrophobicContact CG-CD1 3.75Å
343	F	95.1	Very high	91.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.3	-35	179.4	-83.1	-70	0	0	0	112.9	L334 L339 N340 R341 Y346 L347 I356 L370 Y392 V394 F401	L334-F343 HydrophobicContact CD1-CD2 4.07Å; L339-F343 HydrophobicContact CD1-CD2 4.1Å; L339-F343 HydrophobicContact CD1-CE2 3.69Å; L339-F343 HydrophobicContact CD2-CE2 4.26Å; L339-F343 HydrophobicContact CG-CD2 3.9Å; L339-F343 HydrophobicContact CG-CE2 3.77Å; L339-F343 WeakPolarHBondContact O-CD2 3.46Å; L339-F343 PolarHBondContact O-N 2.95Å; N340-F343 PolarHBondContact O-N 2.72Å; R341-F343 PolarHBondContact O-N 3.27Å; F343-Y346 HydrophobicContact CD1-CD1 4.5Å; F343-Y346 PolarHBondContact O-N 2.81Å; F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 WeakPolarHBondContact O-CG 3.47Å; F343-L347 PolarHBondContact O-N 2.98Å; F343-I356 HydrophobicContact CB-CD1 3.79Å; F343-I356 HydrophobicContact CB-CG1 4.49Å; F343-I356 HydrophobicContact CG-CD1 4.43Å; F343-L370 HydrophobicContact CD1-CD1 3.93Å; F343-L370 HydrophobicContact CD2-CD1 3.6Å; F343-L370 HydrophobicContact CE1-CD1 3.84Å; F343-L370 HydrophobicContact CE2-CD1 3.5Å; F343-L370 VanDerWaalsContact CE2-CD1 3.5Å; F343-L370 HydrophobicContact CG-CD1 3.83Å; F343-L370 HydrophobicContact CZ-CD1 3.63Å; F343-Y392 HydrophobicContact CE1-CD2 4.31Å; F343-Y392 HydrophobicContact CE1-CG 4.42Å; F343-V394 HydrophobicContact CE2-CG2 3.94Å; F343-V394 HydrophobicContact CZ-CG2 3.67Å; F343-F401 HydrophobicContact CE1-CD1 4.48Å; F343-F401 HydrophobicContact CE1-CD2 4.01Å; F343-F401 HydrophobicContact CE1-CE2 4.2Å; F343-F401 HydrophobicContact CE1-CG 4.16Å; F343-F401 HydrophobicContact CZ-CB 4.16Å; F343-F401 HydrophobicContact CZ-CD1 4.2Å; F343-F401 HydrophobicContact CZ-CD2 4.24Å; F343-F401 AromaticContact CZ-CG 3.94Å; F343-F401 HydrophobicContact CZ-CG 3.94Å
344	E	92.5	Very high	91.6	Very high	101 Å²	101	59.7 Å²	59.7	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-48.1	173.1	-74.3	173.7	168.5	0	0	111.4	N340 R341 S348	N340-E344 PolarHBondContact ND2-OE1 3.31Å; N340-E344 PolarHBondContact ND2-OE2 3.23Å; N340-E344 WeakPolarHBondContact O-CG 3.38Å; N340-E344 PolarHBondContact O-N 3.39Å; R341-E344 PolarHBondContact O-N 2.63Å; E344-S348 VanDerWaalsContact O-CB 3.23Å; E344-S348 WeakPolarHBondContact O-CB 3.33Å; E344-S348 PolarHBondContact O-N 2.83Å; E344-S348 PolarHBondContact O-OG 3.19Å
345	D	94.2	Very high	91.7	Very high	97 Å²	97	65 Å²	65	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-45.9	176.2	-71.6	-19.2	0	0	0	111.3	R341 L347 S348 Q349	R341-D345 WeakPolarHBondContact O-CB 3.48Å; R341-D345 PolarHBondContact O-N 3Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.06Å; D345-S348 WeakPolarHBondContact CA-OG 3.36Å; D345-S348 PolarHBondContact O-N 2.77Å; D345-S348 PolarHBondContact O-OG 2.8Å; D345-Q349 WeakPolarHBondContact O-CB 3.4Å; D345-Q349 VanDerWaalsContact O-CG 3.24Å; D345-Q349 WeakPolarHBondContact O-CG 3.44Å; D345-Q349 PolarHBondContact O-N 3.14Å; D345-Q349 VanDerWaalsContact O-N 3.08Å
346	Y	95.1	Very high	91.9	Very high	25 Å²	25	63.8 Å²	63.8	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-40.5	179.6	176.8	-89.6	0	0	0	112.6	F342 F343 R350 Y392 F401	F342-Y346 HydrophobicContact CZ-CD2 4.36Å; F342-Y346 WeakPolarHBondContact O-CB 3.43Å; F342-Y346 PolarHBondContact O-N 3.23Å; F343-Y346 HydrophobicContact CD1-CD1 4.5Å; F343-Y346 PolarHBondContact O-N 2.81Å; Y346-R350 VanDerWaalsContact CG-NH1 3.31Å; Y346-R350 PolarHBondContact O-NH1 3.44Å; Y346-R350 VanDerWaalsContact OH-CZ 3.24Å; Y346-R350 PolarHBondContact OH-NE 2.86Å; Y346-R350 PolarHBondContact OH-NH2 3.02Å; Y346-Y392 HydrophobicContact CE1-CE1 4.48Å; Y346-Y392 HydrophobicContact CE1-CE2 4.04Å; Y346-Y392 AromaticContact CE1-CZ 3.79Å; Y346-F401 HydrophobicContact CD2-CZ 4.28Å; Y346-F401 HydrophobicContact CE1-CE2 4.1Å; Y346-F401 HydrophobicContact CE1-CZ 4.27Å; Y346-F401 HydrophobicContact CE2-CE2 4.24Å; Y346-F401 AromaticContact CE2-CZ 3.66Å; Y346-F401 HydrophobicContact CE2-CZ 3.66Å; Y346-F401 AromaticContact CZ-CE2 3.73Å; Y346-F401 AromaticContact CZ-CZ 3.66Å
347	L	94.4	Very high	91.8	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-75.6	-43.9	178.8	-72.6	171.9	0	0	0	111.7	F343 D345 Q349 R350 K351 A354 I356 I372 Y375 Y392	F343-L347 WeakPolarHBondContact O-CB 3.5Å; F343-L347 WeakPolarHBondContact O-CG 3.47Å; F343-L347 PolarHBondContact O-N 2.98Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.06Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 2.82Å; L347-R350 WeakPolarHBondContact O-CB 3.13Å; L347-R350 PolarHBondContact O-N 3.48Å; L347-K351 PolarHBondContact O-N 3.44Å; L347-A354 HydrophobicContact CB-CB 3.86Å; L347-A354 HydrophobicContact CD2-CB 4.33Å; L347-I356 HydrophobicContact CD1-CG1 4.03Å; L347-I372 HydrophobicContact CD1-CD1 3.99Å; L347-I372 HydrophobicContact CD2-CD1 4.33Å; L347-I372 HydrophobicContact CD2-CG2 3.89Å; L347-Y375 HydrophobicContact CD2-CD1 4.29Å; L347-Y392 HydrophobicContact CD2-CE2 4.02Å
348	S	92.1	Very high	91.7	Very high	50 Å²	50	67.3 Å²	67.3	35%	0.35	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-35.5	-179	63	0	0	0	0	112.6	E344 D345 R350 K351 V352	E344-S348 VanDerWaalsContact O-CB 3.23Å; E344-S348 WeakPolarHBondContact O-CB 3.33Å; E344-S348 PolarHBondContact O-N 2.83Å; E344-S348 PolarHBondContact O-OG 3.19Å; D345-S348 WeakPolarHBondContact CA-OG 3.36Å; D345-S348 PolarHBondContact O-N 2.77Å; D345-S348 PolarHBondContact O-OG 2.8Å; S348-R350 VanDerWaalsContact C-N 3.26Å; S348-R350 PolarHBondContact O-N 2.96Å; S348-K351 CarbonylContact O-C 3.58Å; S348-K351 PolarHBondContact O-N 3.3Å; S348-V352 PolarHBondContact O-N 2.92Å
349	Q	94	Very high	91.7	Very high	159 Å²	159	66.2 Å²	66.2	74%	0.743	31%	0.305	S	S	*	.	H	α-helix	trans	-62.9	-29.3	172.6	-74.1	174.5	16.2	0	0	113.5	D345 L347	D345-Q349 WeakPolarHBondContact O-CB 3.4Å; D345-Q349 VanDerWaalsContact O-CG 3.24Å; D345-Q349 WeakPolarHBondContact O-CG 3.44Å; D345-Q349 PolarHBondContact O-N 3.14Å; D345-Q349 VanDerWaalsContact O-N 3.08Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 2.82Å
350	R	92.7	Very high	91.6	Very high	90 Å²	90	66.3 Å²	66.3	34%	0.34	31%	0.305	S	S	.	.	H	α-helix	trans	-83.4	-43.2	177.8	-73.9	163.9	170.6	67.6	10	111.6	Y346 L347 S348 Y375	Y346-R350 VanDerWaalsContact CG-NH1 3.31Å; Y346-R350 PolarHBondContact O-NH1 3.44Å; Y346-R350 VanDerWaalsContact OH-CZ 3.24Å; Y346-R350 PolarHBondContact OH-NE 2.86Å; Y346-R350 PolarHBondContact OH-NH2 3.02Å; L347-R350 WeakPolarHBondContact O-CB 3.13Å; L347-R350 PolarHBondContact O-N 3.48Å; S348-R350 VanDerWaalsContact C-N 3.26Å; S348-R350 PolarHBondContact O-N 2.96Å; R350-Y375 HydrophobicContact CB-CD2 4.42Å; R350-Y375 HydrophobicContact CB-CE1 4.3Å; R350-Y375 HydrophobicContact CB-CE2 3.8Å; R350-Y375 WeakPolarHBondContact CD-OH 3.45Å
351	K	92.3	Very high	91.5	Very high	71 Å²	71	66 Å²	66	31%	0.309	30%	0.303	S	S	.	.			trans	-160.1	122.2	178.4	-172.4	167.6	-177.8	-179.7	0	108.8	L347 S348 Q353 A354 N374 Y375 E384	L347-K351 PolarHBondContact O-N 3.44Å; S348-K351 CarbonylContact O-C 3.58Å; S348-K351 PolarHBondContact O-N 3.3Å; K351-Q353 PolarHBondContact O-N 2.75Å; K351-A354 HydrophobicContact CB-CB 4.15Å; K351-A354 WeakPolarHBondContact O-CB 3.46Å; K351-A354 PolarHBondContact O-N 2.87Å; K351-N374 VanDerWaalsContact CD-O 3.23Å; K351-N374 WeakPolarHBondContact CD-O 3.16Å; K351-N374 WeakPolarHBondContact CE-O 3.39Å; K351-N374 PolarHBondContact NZ-O 2.99Å; K351-Y375 HydrophobicContact CB-CD2 3.94Å; K351-Y375 HydrophobicContact CD-CD2 4.06Å; K351-E384 IonicContact NZ-OE1 2.9Å; K351-E384 PolarHBondContact NZ-OE1 3.32Å; K351-E384 IonicContact NZ-OE2 2.7Å; K351-E384 PolarHBondContact NZ-OE2 2.94Å
352	V	87.9	Confident	91.3	Very high	133 Å²	133	57.8 Å²	57.8	81%	0.806	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.3	-174	178.6	0	0	0	0	113.7	S348	S348-V352 PolarHBondContact O-N 2.92Å
353	Q	86	Confident	90.7	Very high	137 Å²	137	57.9 Å²	57.9	64%	0.64	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5	-178.9	-64.4	179.2	-22.4	0	0	114.2	K351 N374	K351-Q353 PolarHBondContact O-N 2.75Å; Q353-N374 HydrophobicContact CB-CB 4.11Å; Q353-N374 VanDerWaalsContact O-CB 3.23Å; Q353-N374 WeakPolarHBondContact O-CB 3.27Å; Q353-N374 PolarHBondContact O-ND2 2.96Å
354	A	89.8	Confident	90.1	Very high	10 Å²	10	60.1 Å²	60.1	8%	0.083	29%	0.289	C	S	.	.			trans	-67.1	137.3	-179.2	0	0	0	0	0	110.7	L347 K351 A373 Y375	L347-A354 HydrophobicContact CB-CB 3.86Å; L347-A354 HydrophobicContact CD2-CB 4.33Å; K351-A354 HydrophobicContact CB-CB 4.15Å; K351-A354 WeakPolarHBondContact O-CB 3.46Å; K351-A354 PolarHBondContact O-N 2.87Å; A354-A373 WeakPolarHBondContact CA-O 3.15Å; A354-Y375 HydrophobicContact CB-CG 4.23Å
355	R	89.5	Confident	89.8	Confident	118 Å²	118	55.3 Å²	55.3	45%	0.445	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157.6	-179.1	62.5	-178.6	-179	149.9	1.3	111.9	R357 A373	R355-R357 PolarHBondContact O-N 3.27Å; R355-A373 HydrophobicContact CG-CB 4.04Å; R355-A373 PolarHBondContact N-O 3.37Å; R355-A373 PolarHBondContact O-N 3.17Å
356	I	90.6	Very high	89.6	Confident	21 Å²	21	50.7 Å²	50.7	11%	0.108	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.3	165.4	-59	167.6	0	0	0	107.4	L334 F343 L347 W359 L370 I372	L334-I356 HydrophobicContact CD1-CD1 4.08Å; L334-I356 HydrophobicContact CD2-CD1 4.24Å; L334-I356 HydrophobicContact CG-CD1 4.13Å; F343-I356 HydrophobicContact CB-CD1 3.79Å; F343-I356 HydrophobicContact CB-CG1 4.49Å; F343-I356 HydrophobicContact CG-CD1 4.43Å; L347-I356 HydrophobicContact CD1-CG1 4.03Å; I356-W359 HydrophobicContact CG2-CB 4.34Å; I356-L370 HydrophobicContact CD1-CD1 4.26Å; I356-L370 HydrophobicContact CG2-CD2 4.44Å; I356-I372 HydrophobicContact CG1-CD1 4.31Å
357	R	86.2	Confident	89.4	Confident	128 Å²	128	49.5 Å²	49.5	48%	0.483	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-43.1	177.7	179.8	-176.5	167.8	-177.5	-5.3	111.1	S331 R355 D371 A373	S331-R357 PolarHBondContact N-O 3.42Å; S331-R357 PolarHBondContact OG-O 2.77Å; R355-R357 PolarHBondContact O-N 3.27Å; R357-D371 WeakPolarHBondContact CB-O 3.16Å; R357-D371 PolarHBondContact N-O 2.98Å; R357-A373 HydrophobicContact CB-CB 3.82Å; R357-A373 HydrophobicContact CG-CB 4.37Å
358	R	87	Confident	89.4	Confident	11 Å²	11	49.4 Å²	49.4	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.1	-174.6	-175.6	-166.2	-162.3	180	6.3	107.6	E328 G329 F330 F360 D371 E455	E328-R358 HydrophobicContact CG-CG 4.4Å; E328-R358 IonicContact OE1-CZ 3.28Å; E328-R358 IonicContact OE1-NE 3.6Å; E328-R358 PolarHBondContact OE1-NE 2.78Å; E328-R358 IonicContact OE1-NH2 3.53Å; E328-R358 PolarHBondContact OE1-NH2 2.95Å; G329-R358 CarbonylContact O-C 3.43Å; G329-R358 WeakPolarHBondContact O-CA 3.34Å; F330-R358 HydrophobicContact CD1-CB 3.96Å; F330-R358 HydrophobicContact CD1-CG 3.76Å; F330-R358 HydrophobicContact CE1-CB 4.06Å; F330-R358 HydrophobicContact CE1-CG 3.54Å; F330-R358 HydrophobicContact CG-CG 4.36Å; F330-R358 HydrophobicContact CZ-CG 3.96Å; R358-F360 HydrophobicContact CG-CE2 4.26Å; R358-D371 HydrophobicContact CB-CB 4.12Å; R358-D371 VanDerWaalsContact CD-OD2 3.3Å; R358-D371 WeakPolarHBondContact CD-OD2 3.32Å; R358-D371 PolarHBondContact O-N 2.8Å; R358-E455 IonicContact NH1-OE1 2.8Å
359	W	91.6	Very high	89.5	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.011	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.2	169	57.2	-98.7	0	0	0	111.1	C309 E328 G329 C332 P333 L334 P335 I356 H361 L368 I369 L370	C309-W359 HydrophobicContact CB-CH2 4.04Å; C309-W359 HydrophobicContact CB-CZ2 4.27Å; C309-W359 WeakPolarHBondContact SG-CZ2 3.33Å; E328-W359 CarbonylContact C-O 3.48Å; E328-W359 VanDerWaalsContact CA-O 3.24Å; E328-W359 WeakPolarHBondContact CA-O 3.44Å; G329-W359 VanDerWaalsContact CA-CE2 3.47Å; G329-W359 PolarHBondContact N-O 3.42Å; G329-W359 PolarHBondContact O-N 3.07Å; C332-W359 PolarHBondContact O-NE1 3.42Å; C332-W359 VanDerWaalsContact O-NE1 3.08Å; P333-W359 WeakPolarHBondContact O-CZ2 3.48Å; P333-W359 PolarHBondContact O-NE1 2.86Å; L334-W359 HydrophobicContact CD2-CB 3.75Å; L334-W359 VanDerWaalsContact CD2-CD1 3.5Å; L334-W359 HydrophobicContact CD2-CD2 4.02Å; L334-W359 HydrophobicContact CD2-CG 3.47Å; L334-W359 VanDerWaalsContact CD2-CG 3.47Å; P335-W359 HydrophobicContact CG-CH2 4.16Å; P335-W359 HydrophobicContact CG-CZ3 4.27Å; I356-W359 HydrophobicContact CG2-CB 4.34Å; W359-H361 HydrophobicContact CE3-CB 4.01Å; W359-H361 HydrophobicContact CZ3-CB 3.79Å; W359-L368 HydrophobicContact CB-CD1 4.27Å; W359-L368 HydrophobicContact CE3-CD1 4.12Å; W359-I369 CarbonylContact C-O 3.5Å; W359-I369 WeakPolarHBondContact CA-O 3.25Å; W359-L370 HydrophobicContact CB-CD2 3.49Å; W359-L370 VanDerWaalsContact CB-CD2 3.49Å
360	F	90.5	Very high	89.5	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.1	171.4	-66.2	-86.9	0	0	0	109.9	F312 S327 E328 R358 L368 I369 F451	F312-F360 HydrophobicContact CZ-CD1 4.05Å; F312-F360 AromaticContact CZ-CE1 3.97Å; F312-F360 HydrophobicContact CZ-CE1 3.97Å; S327-F360 CarbonylContact O-C 3.48Å; S327-F360 WeakPolarHBondContact O-CA 3.43Å; E328-F360 HydrophobicContact CB-CD1 3.66Å; E328-F360 HydrophobicContact CB-CE1 3.92Å; E328-F360 VanDerWaalsContact CD-CE1 3.47Å; E328-F360 HydrophobicContact CG-CD1 3.82Å; E328-F360 HydrophobicContact CG-CE1 3.7Å; E328-F360 HydrophobicContact CG-CZ 4.4Å; E328-F360 WeakPolarHBondContact OE1-CE1 3.3Å; E328-F360 WeakPolarHBondContact OE1-CZ 3.47Å; R358-F360 HydrophobicContact CG-CE2 4.26Å; F360-L368 CarbonylContact O-C 3.47Å; F360-L368 VanDerWaalsContact O-CA 3.23Å; F360-L368 WeakPolarHBondContact O-CA 3.45Å; F360-L368 WeakPolarHBondContact O-CD1 3.35Å; F360-I369 HydrophobicContact CB-CB 4.37Å; F360-I369 PolarHBondContact N-O 2.98Å; F360-I369 PolarHBondContact O-N 2.58Å; F360-F451 HydrophobicContact CB-CE1 4.48Å; F360-F451 HydrophobicContact CB-CE2 4.18Å; F360-F451 HydrophobicContact CB-CZ 3.78Å; F360-F451 HydrophobicContact CD1-CE2 4.02Å; F360-F451 AromaticContact CD1-CZ 3.48Å; F360-F451 HydrophobicContact CD1-CZ 3.48Å; F360-F451 VanDerWaalsContact CD1-CZ 3.48Å; F360-F451 AromaticContact CD2-CE1 3.58Å; F360-F451 HydrophobicContact CD2-CE1 3.58Å; F360-F451 HydrophobicContact CD2-CE2 4.43Å; F360-F451 AromaticContact CD2-CZ 3.31Å; F360-F451 HydrophobicContact CD2-CZ 3.31Å; F360-F451 HydrophobicContact CE1-CE2 4.3Å; F360-F451 AromaticContact CE1-CZ 3.59Å; F360-F451 HydrophobicContact CE1-CZ 3.59Å; F360-F451 AromaticContact CE2-CE1 3.58Å; F360-F451 HydrophobicContact CE2-CE1 3.58Å; F360-F451 AromaticContact CE2-CZ 3.39Å; F360-F451 HydrophobicContact CE2-CZ 3.39Å; F360-F451 HydrophobicContact CG-CE1 4.01Å; F360-F451 HydrophobicContact CG-CE2 4.01Å; F360-F451 AromaticContact CG-CZ 3.26Å; F360-F451 HydrophobicContact CG-CZ 3.26Å; F360-F451 HydrophobicContact CZ-CE1 4.02Å; F360-F451 AromaticContact CZ-CZ 3.44Å; F360-F451 HydrophobicContact CZ-CZ 3.44Å; F360-F451 VanDerWaalsContact CZ-CZ 3.44Å
361	H	90.8	Very high	89.5	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.8	179.4	175.2	-133.4	0	0	0	109.6	V326 S327 F336 W359 L367 L368	V326-H361 WeakPolarHBondContact CA-O 3.49Å; S327-H361 PolarHBondContact N-O 3.44Å; S327-H361 PolarHBondContact O-N 2.94Å; S327-H361 WeakPolarHBondContact OG-CB 3.28Å; S327-H361 PolarHBondContact OG-O 3.24Å; F336-H361 AromaticContact CE2-CE1 3.86Å; F336-H361 AromaticContact CE2-NE2 3.65Å; F336-H361 AromaticContact CZ-CE1 3.77Å; F336-H361 AromaticContact CZ-NE2 3.57Å; W359-H361 HydrophobicContact CE3-CB 4.01Å; W359-H361 HydrophobicContact CZ3-CB 3.79Å; H361-L367 WeakPolarHBondContact CA-O 3.24Å; H361-L368 HydrophobicContact CB-CD1 3.78Å
362	L	89.1	Confident	89.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	92.8	171.6	-74.8	72.8	0	0	0	107.1	F316 F323 V326 S364 A365 G366 L367 M447 F451	F316-L362 HydrophobicContact CE2-CD2 3.83Å; F316-L362 HydrophobicContact CZ-CD2 3.98Å; F323-L362 HydrophobicContact CD1-CD2 4.47Å; F323-L362 HydrophobicContact CD2-CD2 4.2Å; F323-L362 HydrophobicContact CG-CD2 4.17Å; V326-L362 HydrophobicContact CG1-CD1 3.91Å; V326-L362 HydrophobicContact CG1-CG 4.12Å; V326-L362 HydrophobicContact CG2-CG 3.96Å; L362-S364 PolarHBondContact O-N 3.3Å; L362-A365 HydrophobicContact CB-CB 4.16Å; L362-A365 PolarHBondContact O-N 3.43Å; L362-A365 VanDerWaalsContact O-N 3.12Å; L362-G366 PolarHBondContact O-N 3.33Å; L362-L367 HydrophobicContact CB-CB 4.28Å; L362-L367 HydrophobicContact CD1-CD2 4.41Å; L362-L367 HydrophobicContact CD2-CD2 4.36Å; L362-L367 PolarHBondContact N-O 2.72Å; L362-L367 PolarHBondContact O-N 3.47Å; L362-M447 HydrophobicContact CD2-CE 3.71Å; L362-F451 HydrophobicContact CD1-CD2 4.26Å; L362-F451 HydrophobicContact CD1-CE2 4.21Å
363	E	84.4	Confident	89.4	Confident	53 Å²	53	26.8 Å²	26.8	25%	0.248	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58.7	-47.8	-166	179.6	168.9	-162.1	0	0	113.2	H325 A365 G366 K429 S433	H325-E363 HydrophobicContact CB-CB 4.35Å; H325-E363 PolarHBondContact O-N 2.73Å; E363-A365 PolarHBondContact O-N 3.32Å; E363-G366 PolarHBondContact O-N 2.78Å; E363-G366 VanDerWaalsContact O-N 3.11Å; E363-K429 IonicContact OE1-NZ 3.64Å; E363-K429 PolarHBondContact OE1-NZ 3.12Å; E363-S433 WeakPolarHBondContact OE1-CB 3.37Å
364	S	82.5	Confident	89.4	Confident	46 Å²	46	23.8 Å²	23.8	32%	0.322	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-67.9	-19.5	-177.2	58.2	0	0	0	0	113.6	F323 L362 N436	F323-S364 WeakPolarHBondContact CD1-OG 3.21Å; F323-S364 WeakPolarHBondContact CE1-OG 3.3Å; L362-S364 PolarHBondContact O-N 3.3Å; S364-N436 WeakPolarHBondContact O-CB 3.49Å
365	A	85.6	Confident	89.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-93.5	-10.7	176.8	0	0	0	0	0	113.4	F323 L362 E363 L367 M447	F323-A365 HydrophobicContact CE1-CB 3.91Å; F323-A365 HydrophobicContact CZ-CB 4.4Å; L362-A365 HydrophobicContact CB-CB 4.16Å; L362-A365 PolarHBondContact O-N 3.43Å; L362-A365 VanDerWaalsContact O-N 3.12Å; E363-A365 PolarHBondContact O-N 3.32Å; A365-L367 HydrophobicContact CB-CB 4.22Å; A365-L367 PolarHBondContact O-N 2.73Å; A365-M447 HydrophobicContact CB-CE 3.32Å; A365-M447 HydrophobicContact CB-SD 4.11Å
366	G	89.4	Confident	89.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	30.4	-170.2	0	0	0	0	0	112.8	L362 E363 L396	L362-G366 PolarHBondContact O-N 3.33Å; E363-G366 PolarHBondContact O-N 2.78Å; E363-G366 VanDerWaalsContact O-N 3.11Å; G366-L396 WeakPolarHBondContact O-CB 3.44Å; G366-L396 WeakPolarHBondContact O-CG 3.48Å; G366-L396 PolarHBondContact O-N 2.96Å
367	L	91.5	Very high	89.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.1	-179.3	171.2	62.8	0	0	0	109.8	H361 L362 A365 I369 I393 F444 I448	H361-L367 WeakPolarHBondContact CA-O 3.24Å; L362-L367 HydrophobicContact CB-CB 4.28Å; L362-L367 HydrophobicContact CD1-CD2 4.41Å; L362-L367 HydrophobicContact CD2-CD2 4.36Å; L362-L367 PolarHBondContact N-O 2.72Å; L362-L367 PolarHBondContact O-N 3.47Å; A365-L367 HydrophobicContact CB-CB 4.22Å; A365-L367 PolarHBondContact O-N 2.73Å; L367-I369 HydrophobicContact CD1-CD1 4.5Å; L367-I369 HydrophobicContact CD1-CG1 3.93Å; L367-I369 HydrophobicContact CD2-CD1 4.19Å; L367-I369 HydrophobicContact CD2-CG1 4.41Å; L367-I369 HydrophobicContact CG-CD1 4.45Å; L367-I369 HydrophobicContact CG-CG1 4.12Å; L367-I393 HydrophobicContact CD1-CG2 3.72Å; L367-F444 HydrophobicContact CB-CE2 3.68Å; L367-F444 HydrophobicContact CB-CZ 4.03Å; L367-F444 HydrophobicContact CD1-CE1 4.06Å; L367-F444 HydrophobicContact CD1-CE2 4.01Å; L367-F444 HydrophobicContact CD1-CZ 3.47Å; L367-F444 VanDerWaalsContact CD1-CZ 3.47Å; L367-F444 HydrophobicContact CG-CE2 4.37Å; L367-F444 HydrophobicContact CG-CZ 4.3Å; L367-I448 HydrophobicContact CD1-CD1 4.25Å; L367-I448 HydrophobicContact CD1-CG1 3.84Å; L367-I448 HydrophobicContact CD2-CG1 3.93Å
368	L	93.8	Very high	90.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.1	170.3	174	79.4	0	0	0	109.6	L334 L339 W359 F360 H361 L370 V394 L396	L334-L368 HydrophobicContact CD1-CD2 4.05Å; L334-L368 HydrophobicContact CD2-CD1 4.21Å; L334-L368 HydrophobicContact CD2-CD2 4.26Å; L339-L368 HydrophobicContact CD2-CD2 3.71Å; W359-L368 HydrophobicContact CB-CD1 4.27Å; W359-L368 HydrophobicContact CE3-CD1 4.12Å; F360-L368 CarbonylContact O-C 3.47Å; F360-L368 VanDerWaalsContact O-CA 3.23Å; F360-L368 WeakPolarHBondContact O-CA 3.45Å; F360-L368 WeakPolarHBondContact O-CD1 3.35Å; H361-L368 HydrophobicContact CB-CD1 3.78Å; L368-L370 HydrophobicContact CD1-CD2 4.02Å; L368-L370 HydrophobicContact CD2-CD2 3.91Å; L368-L370 HydrophobicContact CD2-CG 4.5Å; L368-L370 HydrophobicContact CG-CD2 3.71Å; L368-L370 HydrophobicContact CG-CG 4.35Å; L368-V394 HydrophobicContact CB-CB 4Å; L368-V394 HydrophobicContact CD2-CB 4.3Å; L368-V394 HydrophobicContact CD2-CG2 4.25Å; L368-V394 HydrophobicContact CG-CB 4.43Å; L368-V394 HydrophobicContact CG-CG2 4.46Å; L368-V394 PolarHBondContact N-O 2.74Å; L368-V394 WeakPolarHBondContact O-CA 3.05Å; L368-V394 WeakPolarHBondContact O-CB 3.46Å; L368-V394 PolarHBondContact O-N 3.01Å; L368-L396 HydrophobicContact CB-CD1 4.35Å; L368-L396 HydrophobicContact CB-CD2 4.36Å; L368-L396 HydrophobicContact CB-CG 4.4Å; L368-L396 HydrophobicContact CD2-CD2 4.45Å
369	I	94.1	Very high	90.6	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.5	179.2	-59.1	175.8	0	0	0	108.1	W359 F360 L367 M391 I393 F451	W359-I369 CarbonylContact C-O 3.5Å; W359-I369 WeakPolarHBondContact CA-O 3.25Å; F360-I369 HydrophobicContact CB-CB 4.37Å; F360-I369 PolarHBondContact N-O 2.98Å; F360-I369 PolarHBondContact O-N 2.58Å; L367-I369 HydrophobicContact CD1-CD1 4.5Å; L367-I369 HydrophobicContact CD1-CG1 3.93Å; L367-I369 HydrophobicContact CD2-CD1 4.19Å; L367-I369 HydrophobicContact CD2-CG1 4.41Å; L367-I369 HydrophobicContact CG-CD1 4.45Å; L367-I369 HydrophobicContact CG-CG1 4.12Å; I369-M391 HydrophobicContact CG2-SD 4.4Å; I369-I393 HydrophobicContact CB-CD1 4.39Å; I369-I393 HydrophobicContact CD1-CD1 4.39Å; I369-I393 HydrophobicContact CG1-CD1 3.9Å; I369-I393 HydrophobicContact CG2-CD1 3.98Å; I369-F451 HydrophobicContact CD1-CB 4.15Å; I369-F451 HydrophobicContact CD1-CD1 3.28Å; I369-F451 HydrophobicContact CD1-CD2 4.27Å; I369-F451 HydrophobicContact CD1-CE1 3.74Å; I369-F451 HydrophobicContact CD1-CG 3.61Å; I369-F451 HydrophobicContact CD1-CZ 4.4Å
370	L	94.6	Very high	90.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113.5	-175.7	-51.8	-177.5	0	0	0	110.8	L334 F343 I356 W359 L368 I372 M391 Y392 V394	L334-L370 HydrophobicContact CD1-CD2 4.36Å; L334-L370 HydrophobicContact CD2-CD2 3.55Å; F343-L370 HydrophobicContact CD1-CD1 3.93Å; F343-L370 HydrophobicContact CD2-CD1 3.6Å; F343-L370 HydrophobicContact CE1-CD1 3.84Å; F343-L370 HydrophobicContact CE2-CD1 3.5Å; F343-L370 VanDerWaalsContact CE2-CD1 3.5Å; F343-L370 HydrophobicContact CG-CD1 3.83Å; F343-L370 HydrophobicContact CZ-CD1 3.63Å; I356-L370 HydrophobicContact CD1-CD1 4.26Å; I356-L370 HydrophobicContact CG2-CD2 4.44Å; W359-L370 HydrophobicContact CB-CD2 3.49Å; W359-L370 VanDerWaalsContact CB-CD2 3.49Å; L368-L370 HydrophobicContact CD1-CD2 4.02Å; L368-L370 HydrophobicContact CD2-CD2 3.91Å; L368-L370 HydrophobicContact CD2-CG 4.5Å; L368-L370 HydrophobicContact CG-CD2 3.71Å; L368-L370 HydrophobicContact CG-CG 4.35Å; L370-I372 HydrophobicContact CB-CD1 4.23Å; L370-M391 CarbonylContact O-C 3.38Å; L370-M391 WeakPolarHBondContact O-CA 3.21Å; L370-Y392 PolarHBondContact N-O 3.5Å; L370-Y392 PolarHBondContact O-N 3.21Å; L370-V394 HydrophobicContact CD1-CG2 3.91Å; L370-V394 HydrophobicContact CG-CG2 4.11Å
371	D	91.8	Very high	90.8	Very high	16 Å²	16	27.5 Å²	27.5	9%	0.086	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.7	173	-64.5	-27	0	0	0	110.6	R357 R358 H406	R357-D371 WeakPolarHBondContact CB-O 3.16Å; R357-D371 PolarHBondContact N-O 2.98Å; R358-D371 HydrophobicContact CB-CB 4.12Å; R358-D371 VanDerWaalsContact CD-OD2 3.3Å; R358-D371 WeakPolarHBondContact CD-OD2 3.32Å; R358-D371 PolarHBondContact O-N 2.8Å; D371-H406 IonicContact OD1-NE2 3.78Å
372	I	91.6	Very high	90.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	-172.2	-51.2	-53.3	0	0	0	111.8	L347 I356 L370 Y375 H389 I390 Y392	L347-I372 HydrophobicContact CD1-CD1 3.99Å; L347-I372 HydrophobicContact CD2-CD1 4.33Å; L347-I372 HydrophobicContact CD2-CG2 3.89Å; I356-I372 HydrophobicContact CG1-CD1 4.31Å; L370-I372 HydrophobicContact CB-CD1 4.23Å; I372-Y375 HydrophobicContact CG2-CD1 4.37Å; I372-H389 PolarHBondContact O-ND1 3.14Å; I372-I390 HydrophobicContact CB-CD1 4.42Å; I372-I390 HydrophobicContact CB-CG1 3.91Å; I372-I390 HydrophobicContact CG1-CD1 4.43Å; I372-I390 HydrophobicContact CG1-CG1 4.14Å; I372-I390 PolarHBondContact N-O 3.21Å; I372-I390 VanDerWaalsContact N-O 3.15Å; I372-Y392 HydrophobicContact CD1-CD2 3.87Å; I372-Y392 HydrophobicContact CD1-CE2 4.31Å; I372-Y392 HydrophobicContact CG1-CD2 3.79Å; I372-Y392 HydrophobicContact CG1-CE2 3.97Å
373	A	86.6	Confident	91.1	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	153.2	170.6	0	0	0	0	0	111.9	A354 R355 R357 Y375	A354-A373 WeakPolarHBondContact CA-O 3.15Å; R355-A373 HydrophobicContact CG-CB 4.04Å; R355-A373 PolarHBondContact N-O 3.37Å; R355-A373 PolarHBondContact O-N 3.17Å; R357-A373 HydrophobicContact CB-CB 3.82Å; R357-A373 HydrophobicContact CG-CB 4.37Å; A373-Y375 PolarHBondContact O-N 3.2Å
374	N	86.8	Confident	91.5	Very high	74 Å²	74	36.5 Å²	36.5	40%	0.396	18%	0.176	S	C	.	.	S	Bend	trans	60.2	1.5	175.4	-55.1	-32.6	0	0	0	116.5	K351 Q353	K351-N374 VanDerWaalsContact CD-O 3.23Å; K351-N374 WeakPolarHBondContact CD-O 3.16Å; K351-N374 WeakPolarHBondContact CE-O 3.39Å; K351-N374 PolarHBondContact NZ-O 2.99Å; Q353-N374 HydrophobicContact CB-CB 4.11Å; Q353-N374 VanDerWaalsContact O-CB 3.23Å; Q353-N374 WeakPolarHBondContact O-CB 3.27Å; Q353-N374 PolarHBondContact O-ND2 2.96Å
375	Y	91.6	Very high	91.9	Very high	18 Å²	18	34.7 Å²	34.7	7%	0.071	16%	0.162	C	C	.	.			trans	-138.6	121.1	175.7	-179.6	-112.3	0	0	0	109.8	L347 R350 K351 A354 I372 A373 Y377 I390	L347-Y375 HydrophobicContact CD2-CD1 4.29Å; R350-Y375 HydrophobicContact CB-CD2 4.42Å; R350-Y375 HydrophobicContact CB-CE1 4.3Å; R350-Y375 HydrophobicContact CB-CE2 3.8Å; R350-Y375 WeakPolarHBondContact CD-OH 3.45Å; K351-Y375 HydrophobicContact CB-CD2 3.94Å; K351-Y375 HydrophobicContact CD-CD2 4.06Å; A354-Y375 HydrophobicContact CB-CG 4.23Å; I372-Y375 HydrophobicContact CG2-CD1 4.37Å; A373-Y375 PolarHBondContact O-N 3.2Å; Y375-Y377 HydrophobicContact CE2-CG 4.42Å; Y375-Y377 VanDerWaalsContact OH-CB 3.25Å; Y375-Y377 WeakPolarHBondContact OH-CB 3.48Å; Y375-I390 HydrophobicContact CD1-CD1 3.75Å; Y375-I390 HydrophobicContact CE1-CD1 3.94Å
376	R	92.8	Very high	91.9	Very high	70 Å²	70	43.8 Å²	43.8	26%	0.264	20%	0.202	S	C	.	.			trans	-126.7	21.2	-172.3	-61.6	178.1	173.6	153.3	0.4	113.2	C378 E384 H385 K386 S387 N388 H389	R376-C378 PolarHBondContact O-N 3.13Å; R376-E384 HydrophobicContact CB-CB 4.3Å; R376-E384 PolarHBondContact N-OE2 2.87Å; R376-E384 WeakPolarHBondContact O-CA 3.34Å; R376-H385 HydrophobicContact CB-CB 4.38Å; R376-H385 PolarHBondContact O-N 2.93Å; R376-K386 PolarHBondContact NH1-O 3.12Å; R376-S387 VanDerWaalsContact CZ-O 3.25Å; R376-S387 PolarHBondContact NE-O 3.14Å; R376-S387 PolarHBondContact NH2-O 3.31Å; R376-N388 VanDerWaalsContact CD-O 3.27Å; R376-N388 WeakPolarHBondContact CD-O 3.46Å; R376-N388 WeakPolarHBondContact CG-O 3.34Å; R376-H389 PolarHBondContact NH2-CE1 2.93Å; R376-H389 PolarHBondContact NH2-NE2 2.82Å
377	Y	95.2	Very high	91.5	Very high	79 Å²	79	47.3 Å²	47.3	31%	0.31	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.6	-175.8	-175.7	-91.6	0	0	0	111.1	Y375 H379 G382 Q403	Y375-Y377 HydrophobicContact CE2-CG 4.42Å; Y375-Y377 VanDerWaalsContact OH-CB 3.25Å; Y375-Y377 WeakPolarHBondContact OH-CB 3.48Å; Y377-H379 AromaticContact CD1-CD2 3.55Å; Y377-H379 AromaticContact CE1-CD2 3.52Å; Y377-G382 VanDerWaalsContact CE2-C 3.42Å; Y377-G382 VanDerWaalsContact CE2-O 3.27Å; Y377-G382 WeakPolarHBondContact CE2-O 3.45Å; Y377-G382 WeakPolarHBondContact OH-CA 3.31Å; Y377-G382 PolarHBondContact OH-O 3.27Å; Y377-Q403 PolarHBondContact O-NE2 3.14Å; Y377-Q403 PolarHBondContact O-OE1 3.4Å
378	C	95	Very high	91.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.4	178.6	166.9	0	0	0	0	110.8	R376 R380 I381 G382 R383 H385 C405	R376-C378 PolarHBondContact O-N 3.13Å; C378-R380 PolarHBondContact O-N 3.21Å; C378-R380 VanDerWaalsContact SG-CB 3.55Å; C378-R380 PolarHBondContact SG-N 2.94Å; C378-I381 HydrophobicContact CB-CD1 4.09Å; C378-I381 HydrophobicContact CB-CG1 3.75Å; C378-I381 PolarHBondContact O-N 3.16Å; C378-G382 PolarHBondContact O-N 3.09Å; C378-R383 PolarHBondContact N-O 3.37Å; C378-H385 WeakPolarHBondContact CB-NE2 3.39Å; C378-C405 PolarHBondContact SG-SG 3.23Å
379	H	93.7	Very high	90.8	Very high	59 Å²	59	52 Å²	52	27%	0.273	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.5	-178.8	-72.7	-170.6	0	0	0	112.2	Y377 Y415 F420	Y377-H379 AromaticContact CD1-CD2 3.55Å; Y377-H379 AromaticContact CE1-CD2 3.52Å; H379-Y415 WeakPolarHBondContact CB-OH 3.18Å; H379-F420 AromaticContact CE1-CE2 3.73Å; H379-F420 AromaticContact CE1-CZ 3.51Å; H379-F420 AromaticContact ND1-CE2 3.85Å; H379-F420 AromaticContact ND1-CZ 3.68Å
380	R	93.1	Very high	90.6	Very high	92 Å²	92	51.9 Å²	51.9	35%	0.347	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-50.2	176	-172	-177.2	157.4	-126.1	-1.3	112.5	C378 Y415	C378-R380 PolarHBondContact O-N 3.21Å; C378-R380 VanDerWaalsContact SG-CB 3.55Å; C378-R380 PolarHBondContact SG-N 2.94Å; R380-Y415 HydrophobicContact CB-CD1 4.18Å; R380-Y415 HydrophobicContact CB-CD2 3.82Å; R380-Y415 HydrophobicContact CB-CE1 3.89Å; R380-Y415 HydrophobicContact CB-CE2 3.51Å; R380-Y415 HydrophobicContact CB-CG 4.15Å; R380-Y415 HydrophobicContact CG-CD2 3.95Å; R380-Y415 HydrophobicContact CG-CE2 3.99Å; R380-Y415 HydrophobicContact CG-CG 4.44Å; R380-Y415 PolarHBondContact N-OH 3.05Å; R380-Y415 VanDerWaalsContact N-OH 3.12Å
381	I	92.2	Very high	90.6	Very high	52 Å²	52	52 Å²	52	27%	0.267	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.8	-173.4	65.4	175.1	0	0	0	112.3	C378 R383	C378-I381 HydrophobicContact CB-CD1 4.09Å; C378-I381 HydrophobicContact CB-CG1 3.75Å; C378-I381 PolarHBondContact O-N 3.16Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 HydrophobicContact CB-CG 4.38Å; I381-R383 HydrophobicContact CD1-CG 3.7Å; I381-R383 HydrophobicContact CG1-CG 3.78Å; I381-R383 WeakPolarHBondContact CG1-O 3.34Å; I381-R383 PolarHBondContact O-N 2.73Å
382	G	93.5	Very high	90.8	Very high	41 Å²	41	51.3 Å²	51.3	42%	0.423	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	17.5	179	0	0	0	0	0	114.7	Y377 C378	Y377-G382 VanDerWaalsContact CE2-C 3.42Å; Y377-G382 VanDerWaalsContact CE2-O 3.27Å; Y377-G382 WeakPolarHBondContact CE2-O 3.45Å; Y377-G382 WeakPolarHBondContact OH-CA 3.31Å; Y377-G382 PolarHBondContact OH-O 3.27Å; C378-G382 PolarHBondContact O-N 3.09Å
383	R	93.6	Very high	91.1	Very high	136 Å²	136	51.2 Å²	51.2	51%	0.513	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	170.7	-178.2	63.6	175.4	178	76.9	1.4	112.5	C378 I381	C378-R383 PolarHBondContact N-O 3.37Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 HydrophobicContact CB-CG 4.38Å; I381-R383 HydrophobicContact CD1-CG 3.7Å; I381-R383 HydrophobicContact CG1-CG 3.78Å; I381-R383 WeakPolarHBondContact CG1-O 3.34Å; I381-R383 PolarHBondContact O-N 2.73Å
384	E	93	Very high	91.5	Very high	71 Å²	71	50.9 Å²	50.9	33%	0.332	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.9	172.6	-63.1	-159.1	-139	0	0	112.3	K351 R376	K351-E384 IonicContact NZ-OE1 2.9Å; K351-E384 PolarHBondContact NZ-OE1 3.32Å; K351-E384 IonicContact NZ-OE2 2.7Å; K351-E384 PolarHBondContact NZ-OE2 2.94Å; R376-E384 HydrophobicContact CB-CB 4.3Å; R376-E384 PolarHBondContact N-OE2 2.87Å; R376-E384 WeakPolarHBondContact O-CA 3.34Å
385	H	90.8	Very high	91.9	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.042	23%	0.225	C	C	.	.			trans	-66.6	147.6	164.6	-70.8	-73.9	0	0	0	110.4	R376 C378 N388 D407	R376-H385 HydrophobicContact CB-CB 4.38Å; R376-H385 PolarHBondContact O-N 2.93Å; C378-H385 WeakPolarHBondContact CB-NE2 3.39Å; H385-N388 HydrophobicContact CB-CB 4.24Å; H385-N388 WeakPolarHBondContact CB-O 3.49Å; H385-D407 WeakPolarHBondContact CE1-CB 3.32Å; H385-D407 IonicContact CE1-OD1 2.65Å; H385-D407 IonicContact CE1-OD2 3.05Å; H385-D407 VanDerWaalsContact ND1-CG 3.33Å; H385-D407 IonicContact ND1-OD1 3.08Å; H385-D407 PolarHBondContact ND1-OD1 2.8Å; H385-D407 VanDerWaalsContact ND1-OD1 3.13Å; H385-D407 IonicContact ND1-OD2 2.79Å
386	K	85.4	Confident	91.9	Very high	191 Å²	191	46.7 Å²	46.7	83%	0.83	22%	0.222	S	C	*	.	S	Bend	trans	-66	-46	-178.7	-68.3	-176.5	179.2	178.1	0	112	R376	R376-K386 PolarHBondContact NH1-O 3.12Å
387	S	80.3	Confident	91.8	Very high	74 Å²	74	45.8 Å²	45.8	52%	0.517	22%	0.218	S	C	.	.	S	Bend	trans	-127.7	-36.1	-174.4	51.3	0	0	0	0	113.4	R376	R376-S387 VanDerWaalsContact CZ-O 3.25Å; R376-S387 PolarHBondContact NE-O 3.14Å; R376-S387 PolarHBondContact NH2-O 3.31Å
388	N	83.7	Confident	91.6	Very high	54 Å²	54	47.3 Å²	47.3	29%	0.289	22%	0.224	S	C	.	.			trans	-75.3	140.5	-172.4	-62.2	-40.5	0	0	0	111.9	R376 H385 D407	R376-N388 VanDerWaalsContact CD-O 3.27Å; R376-N388 WeakPolarHBondContact CD-O 3.46Å; R376-N388 WeakPolarHBondContact CG-O 3.34Å; H385-N388 HydrophobicContact CB-CB 4.24Å; H385-N388 WeakPolarHBondContact CB-O 3.49Å; N388-D407 HydrophobicContact CB-CB 4.06Å; N388-D407 PolarHBondContact ND2-OD1 3Å
389	H	86.4	Confident	91.5	Very high	45 Å²	45	48.3 Å²	48.3	21%	0.208	23%	0.23	C	C	.	.			trans	-84	166.5	177.8	-72.3	-93.7	0	0	0	111.4	I372 R376 H406	I372-H389 PolarHBondContact O-ND1 3.14Å; R376-H389 PolarHBondContact NH2-CE1 2.93Å; R376-H389 PolarHBondContact NH2-NE2 2.82Å; H389-H406 PolarHBondContact O-CD2 3.03Å; H389-H406 VanDerWaalsContact O-CD2 3.32Å; H389-H406 PolarHBondContact O-N 3.49Å
390	I	91.8	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	159.7	169.1	64.1	168.7	0	0	0	109.2	I372 Y375 Y392 Q403	I372-I390 HydrophobicContact CB-CD1 4.42Å; I372-I390 HydrophobicContact CB-CG1 3.91Å; I372-I390 HydrophobicContact CG1-CD1 4.43Å; I372-I390 HydrophobicContact CG1-CG1 4.14Å; I372-I390 PolarHBondContact N-O 3.21Å; I372-I390 VanDerWaalsContact N-O 3.15Å; Y375-I390 HydrophobicContact CD1-CD1 3.75Å; Y375-I390 HydrophobicContact CE1-CD1 3.94Å; I390-Y392 HydrophobicContact CD1-CE2 4.37Å; I390-Q403 HydrophobicContact CB-CG 4.39Å; I390-Q403 VanDerWaalsContact CD1-NE2 3.28Å
391	M	94.4	Very high	91.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	170.8	69.5	-174.4	89.8	0	0	110.1	I369 L370 I393 Q403 K404 H406	I369-M391 HydrophobicContact CG2-SD 4.4Å; L370-M391 CarbonylContact O-C 3.38Å; L370-M391 WeakPolarHBondContact O-CA 3.21Å; M391-I393 HydrophobicContact CG-CD1 4.14Å; M391-I393 HydrophobicContact SD-CD1 3.87Å; M391-Q403 WeakPolarHBondContact O-CA 3.49Å; M391-K404 HydrophobicContact CE-CB 4.45Å; M391-K404 HydrophobicContact CG-CB 3.74Å; M391-K404 PolarHBondContact N-O 3.33Å; M391-K404 PolarHBondContact O-N 2.77Å; M391-K404 VanDerWaalsContact O-O 3.12Å; M391-K404 HydrophobicContact SD-CB 4.1Å; M391-H406 WeakPolarHBondContact CE-CE1 3.12Å
392	Y	96.1	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.7	165.6	-69.5	-63.2	0	0	0	109.7	F343 Y346 L347 L370 I372 I390 F401 Y402 Q403	F343-Y392 HydrophobicContact CE1-CD2 4.31Å; F343-Y392 HydrophobicContact CE1-CG 4.42Å; Y346-Y392 HydrophobicContact CE1-CE1 4.48Å; Y346-Y392 HydrophobicContact CE1-CE2 4.04Å; Y346-Y392 AromaticContact CE1-CZ 3.79Å; L347-Y392 HydrophobicContact CD2-CE2 4.02Å; L370-Y392 PolarHBondContact N-O 3.5Å; L370-Y392 PolarHBondContact O-N 3.21Å; I372-Y392 HydrophobicContact CD1-CD2 3.87Å; I372-Y392 HydrophobicContact CD1-CE2 4.31Å; I372-Y392 HydrophobicContact CG1-CD2 3.79Å; I372-Y392 HydrophobicContact CG1-CE2 3.97Å; I390-Y392 HydrophobicContact CD1-CE2 4.37Å; Y392-F401 AromaticContact CD1-CD2 3.7Å; Y392-F401 HydrophobicContact CD1-CD2 3.7Å; Y392-F401 HydrophobicContact CD1-CE2 4.01Å; Y392-F401 HydrophobicContact CE1-CD2 4.21Å; Y392-F401 HydrophobicContact CE1-CE2 4.05Å; Y392-F401 HydrophobicContact CG-CD2 4.16Å; Y392-Y402 CarbonylContact C-O 3.52Å; Y392-Y402 WeakPolarHBondContact CA-O 3.44Å; Y392-Q403 HydrophobicContact CD1-CB 4.07Å; Y392-Q403 HydrophobicContact CE1-CB 3.83Å; Y392-Q403 HydrophobicContact CE1-CG 4.26Å
393	I	96.1	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	170.9	-50.9	-58.4	0	0	0	107.1	L367 I369 M391 F401 Y402 K404 F444 I448	L367-I393 HydrophobicContact CD1-CG2 3.72Å; I369-I393 HydrophobicContact CB-CD1 4.39Å; I369-I393 HydrophobicContact CD1-CD1 4.39Å; I369-I393 HydrophobicContact CG1-CD1 3.9Å; I369-I393 HydrophobicContact CG2-CD1 3.98Å; M391-I393 HydrophobicContact CG-CD1 4.14Å; M391-I393 HydrophobicContact SD-CD1 3.87Å; I393-F401 CarbonylContact O-C 3.56Å; I393-F401 WeakPolarHBondContact O-CA 3.38Å; I393-F401 WeakPolarHBondContact O-CB 3.42Å; I393-Y402 HydrophobicContact CB-CD1 4.28Å; I393-Y402 HydrophobicContact CB-CD2 3.91Å; I393-Y402 HydrophobicContact CB-CE1 3.88Å; I393-Y402 HydrophobicContact CB-CE2 3.47Å; I393-Y402 VanDerWaalsContact CB-CE2 3.47Å; I393-Y402 HydrophobicContact CB-CG 4.35Å; I393-Y402 VanDerWaalsContact CB-CZ 3.48Å; I393-Y402 HydrophobicContact CG1-CD2 4.08Å; I393-Y402 HydrophobicContact CG1-CE2 3.48Å; I393-Y402 VanDerWaalsContact CG1-CE2 3.48Å; I393-Y402 HydrophobicContact CG2-CE1 3.81Å; I393-Y402 HydrophobicContact CG2-CE2 4.01Å; I393-Y402 PolarHBondContact N-O 3.23Å; I393-Y402 PolarHBondContact O-N 3.12Å; I393-K404 HydrophobicContact CD1-CD 4.38Å; I393-K404 HydrophobicContact CG1-CD 3.88Å; I393-K404 HydrophobicContact CG1-CG 4Å; I393-F444 HydrophobicContact CG2-CE1 4.28Å; I393-I448 HydrophobicContact CD1-CG2 3.99Å; I393-I448 HydrophobicContact CG1-CG2 4.37Å; I393-I448 HydrophobicContact CG2-CD1 3.59Å; I393-I448 HydrophobicContact CG2-CG1 4.05Å
394	V	96.1	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.7	-176.7	-170.7	0	0	0	0	108	L339 F343 L368 L370 L396 F401 F422	L339-V394 HydrophobicContact CD2-CG1 4.3Å; F343-V394 HydrophobicContact CE2-CG2 3.94Å; F343-V394 HydrophobicContact CZ-CG2 3.67Å; L368-V394 HydrophobicContact CB-CB 4Å; L368-V394 HydrophobicContact CD2-CB 4.3Å; L368-V394 HydrophobicContact CD2-CG2 4.25Å; L368-V394 HydrophobicContact CG-CB 4.43Å; L368-V394 HydrophobicContact CG-CG2 4.46Å; L368-V394 PolarHBondContact N-O 2.74Å; L368-V394 WeakPolarHBondContact O-CA 3.05Å; L368-V394 WeakPolarHBondContact O-CB 3.46Å; L368-V394 PolarHBondContact O-N 3.01Å; L370-V394 HydrophobicContact CD1-CG2 3.91Å; L370-V394 HydrophobicContact CG-CG2 4.11Å; V394-L396 HydrophobicContact CG1-CD2 3.81Å; V394-F401 HydrophobicContact CB-CB 4.3Å; V394-F401 HydrophobicContact CG1-CB 4.34Å; V394-F401 HydrophobicContact CG2-CB 3.93Å; V394-F422 HydrophobicContact CG1-CE1 3.58Å; V394-F422 HydrophobicContact CG1-CZ 3.96Å
395	D	94.2	Very high	92.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.2	170	-172.1	-24.9	0	0	0	108.1	R397 R398 C399 L400 F444	D395-R397 PolarHBondContact O-N 3.31Å; D395-R397 WeakPolarHBondContact OD1-CA 3.39Å; D395-R397 VanDerWaalsContact OD1-CB 3.24Å; D395-R397 WeakPolarHBondContact OD1-CB 3.23Å; D395-R397 IonicContact OD1-CZ 2.71Å; D395-R397 PolarHBondContact OD1-N 3.25Å; D395-R397 IonicContact OD1-NE 2.63Å; D395-R397 PolarHBondContact OD1-NE 3.26Å; D395-R397 VanDerWaalsContact OD1-NE 3.15Å; D395-R397 IonicContact OD1-NH2 2.94Å; D395-R397 IonicContact OD2-CZ 3.87Å; D395-R397 IonicContact OD2-NE 3.63Å; D395-R397 IonicContact OD2-NH2 3.8Å; D395-R397 PolarHBondContact OD2-NH2 3.14Å; D395-R398 HydrophobicContact CB-CB 4.33Å; D395-R398 PolarHBondContact O-N 3.04Å; D395-R398 PolarHBondContact OD1-N 2.98Å; D395-R398 VanDerWaalsContact OD1-N 3.17Å; D395-R398 WeakPolarHBondContact OD2-CD 3.46Å; D395-C399 PolarHBondContact O-N 3.4Å; D395-L400 HydrophobicContact CB-CD1 4.08Å; D395-L400 HydrophobicContact CB-CG 4.35Å; D395-L400 PolarHBondContact N-O 3.02Å; D395-L400 PolarHBondContact O-N 3.26Å; D395-F444 HydrophobicContact CB-CE1 3.98Å; D395-F444 HydrophobicContact CB-CE2 4.36Å; D395-F444 HydrophobicContact CB-CZ 3.66Å
396	L	92.7	Very high	91.9	Very high	2 Å²	2	30 Å²	30	1%	0.01	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.3	-178.5	-56.1	174.9	0	0	0	111.9	F336 L339 G366 L368 V394 F422 L427 F435	F336-L396 HydrophobicContact CE2-CD1 3.68Å; F336-L396 HydrophobicContact CE2-CD2 4.38Å; F336-L396 HydrophobicContact CZ-CD1 3.58Å; L339-L396 HydrophobicContact CD2-CD2 3.9Å; G366-L396 WeakPolarHBondContact O-CB 3.44Å; G366-L396 WeakPolarHBondContact O-CG 3.48Å; G366-L396 PolarHBondContact O-N 2.96Å; L368-L396 HydrophobicContact CB-CD1 4.35Å; L368-L396 HydrophobicContact CB-CD2 4.36Å; L368-L396 HydrophobicContact CB-CG 4.4Å; L368-L396 HydrophobicContact CD2-CD2 4.45Å; V394-L396 HydrophobicContact CG1-CD2 3.81Å; L396-F422 HydrophobicContact CD2-CZ 4.45Å; L396-L427 HydrophobicContact CD2-CD2 3.69Å; L396-L427 VanDerWaalsContact O-CD1 3.24Å; L396-L427 WeakPolarHBondContact O-CD1 3.5Å; L396-F435 HydrophobicContact CB-CE1 3.84Å; L396-F435 HydrophobicContact CB-CE2 4.07Å; L396-F435 HydrophobicContact CB-CZ 3.54Å; L396-F435 HydrophobicContact CD1-CE1 3.85Å; L396-F435 HydrophobicContact CD1-CZ 4.01Å; L396-F435 HydrophobicContact CG-CZ 4.41Å
397	R	89.9	Confident	92	Very high	50 Å²	50	22.2 Å²	22.2	19%	0.189	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-42.7	179.2	-46.7	168.9	-60.7	139.7	4.8	110.2	D395 F435 V439 D441	D395-R397 PolarHBondContact O-N 3.31Å; D395-R397 WeakPolarHBondContact OD1-CA 3.39Å; D395-R397 VanDerWaalsContact OD1-CB 3.24Å; D395-R397 WeakPolarHBondContact OD1-CB 3.23Å; D395-R397 IonicContact OD1-CZ 2.71Å; D395-R397 PolarHBondContact OD1-N 3.25Å; D395-R397 IonicContact OD1-NE 2.63Å; D395-R397 PolarHBondContact OD1-NE 3.26Å; D395-R397 VanDerWaalsContact OD1-NE 3.15Å; D395-R397 IonicContact OD1-NH2 2.94Å; D395-R397 IonicContact OD2-CZ 3.87Å; D395-R397 IonicContact OD2-NE 3.63Å; D395-R397 IonicContact OD2-NH2 3.8Å; D395-R397 PolarHBondContact OD2-NH2 3.14Å; R397-F435 HydrophobicContact CG-CB 3.95Å; R397-F435 HydrophobicContact CG-CG 4.22Å; R397-V439 PolarHBondContact NH1-O 2.78Å; R397-D441 IonicContact NH2-OD1 3.15Å; R397-D441 PolarHBondContact NH2-OD1 2.85Å
398	R	90.8	Very high	92.4	Very high	112 Å²	112	24.9 Å²	24.9	42%	0.423	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-3	-178.7	-65.8	179	58.5	-164	-16.5	113.8	D395 L400 D419 D441	D395-R398 HydrophobicContact CB-CB 4.33Å; D395-R398 PolarHBondContact O-N 3.04Å; D395-R398 PolarHBondContact OD1-N 2.98Å; D395-R398 VanDerWaalsContact OD1-N 3.17Å; D395-R398 WeakPolarHBondContact OD2-CD 3.46Å; R398-L400 VanDerWaalsContact C-N 3.29Å; R398-L400 HydrophobicContact CB-CD2 3.59Å; R398-L400 HydrophobicContact CB-CG 3.83Å; R398-L400 VanDerWaalsContact NH2-CD2 3.33Å; R398-L400 PolarHBondContact O-N 2.8Å; R398-D419 IonicContact NH2-OD2 3.13Å; R398-D419 PolarHBondContact NH2-OD2 3.43Å; R398-D419 VanDerWaalsContact NH2-OD2 3.13Å; R398-D441 IonicContact CZ-OD2 2.83Å; R398-D441 IonicContact NH1-OD2 3.25Å; R398-D441 PolarHBondContact NH1-OD2 3.31Å; R398-D441 VanDerWaalsContact NH1-OD2 3.11Å
399	C	93.2	Very high	92.7	Very high	21 Å²	21	28.3 Å²	28.3	14%	0.142	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	45.8	-176.2	-62.1	0	0	0	0	112.9	D395 P421 F422 P424	D395-C399 PolarHBondContact O-N 3.4Å; C399-P421 WeakPolarHBondContact O-CA 3.34Å; C399-F422 VanDerWaalsContact C-CD1 3.41Å; C399-F422 VanDerWaalsContact CA-CZ 3.42Å; C399-F422 HydrophobicContact CB-CD2 4.23Å; C399-F422 HydrophobicContact CB-CE2 3.92Å; C399-F422 HydrophobicContact CB-CZ 4.14Å; C399-F422 WeakPolarHBondContact O-CD1 3.31Å; C399-F422 PolarHBondContact O-N 3.32Å; C399-P424 HydrophobicContact CB-CG 4.38Å
400	L	95	Very high	92.9	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.068	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.4	178.5	63.5	84.9	0	0	0	112	D395 R398 Y402 D419 F420	D395-L400 HydrophobicContact CB-CD1 4.08Å; D395-L400 HydrophobicContact CB-CG 4.35Å; D395-L400 PolarHBondContact N-O 3.02Å; D395-L400 PolarHBondContact O-N 3.26Å; R398-L400 VanDerWaalsContact C-N 3.29Å; R398-L400 HydrophobicContact CB-CD2 3.59Å; R398-L400 HydrophobicContact CB-CG 3.83Å; R398-L400 VanDerWaalsContact NH2-CD2 3.33Å; R398-L400 PolarHBondContact O-N 2.8Å; L400-Y402 HydrophobicContact CD1-CD1 4.15Å; L400-D419 HydrophobicContact CD1-CB 4.38Å; L400-D419 HydrophobicContact CD2-CB 4.24Å; L400-F420 CarbonylContact C-O 3.49Å; L400-F420 VanDerWaalsContact CA-O 3.24Å; L400-F420 WeakPolarHBondContact CA-O 3.42Å
401	F	96.7	Very high	92.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	160.3	170.8	71.3	-80.9	0	0	0	111.3	F342 F343 Y346 Y392 I393 V394 F420 F422	F342-F401 HydrophobicContact CE1-CD1 4.3Å; F342-F401 AromaticContact CE1-CE1 3.73Å; F342-F401 HydrophobicContact CE1-CE1 3.73Å; F342-F401 HydrophobicContact CE1-CZ 4.27Å; F342-F401 AromaticContact CZ-CE1 3.77Å; F342-F401 HydrophobicContact CZ-CE1 3.77Å; F342-F401 HydrophobicContact CZ-CZ 4.3Å; F343-F401 HydrophobicContact CE1-CD1 4.48Å; F343-F401 HydrophobicContact CE1-CD2 4.01Å; F343-F401 HydrophobicContact CE1-CE2 4.2Å; F343-F401 HydrophobicContact CE1-CG 4.16Å; F343-F401 HydrophobicContact CZ-CB 4.16Å; F343-F401 HydrophobicContact CZ-CD1 4.2Å; F343-F401 HydrophobicContact CZ-CD2 4.24Å; F343-F401 AromaticContact CZ-CG 3.94Å; F343-F401 HydrophobicContact CZ-CG 3.94Å; Y346-F401 HydrophobicContact CD2-CZ 4.28Å; Y346-F401 HydrophobicContact CE1-CE2 4.1Å; Y346-F401 HydrophobicContact CE1-CZ 4.27Å; Y346-F401 HydrophobicContact CE2-CE2 4.24Å; Y346-F401 AromaticContact CE2-CZ 3.66Å; Y346-F401 HydrophobicContact CE2-CZ 3.66Å; Y346-F401 AromaticContact CZ-CE2 3.73Å; Y346-F401 AromaticContact CZ-CZ 3.66Å; Y392-F401 AromaticContact CD1-CD2 3.7Å; Y392-F401 HydrophobicContact CD1-CD2 3.7Å; Y392-F401 HydrophobicContact CD1-CE2 4.01Å; Y392-F401 HydrophobicContact CE1-CD2 4.21Å; Y392-F401 HydrophobicContact CE1-CE2 4.05Å; Y392-F401 HydrophobicContact CG-CD2 4.16Å; I393-F401 CarbonylContact O-C 3.56Å; I393-F401 WeakPolarHBondContact O-CA 3.38Å; I393-F401 WeakPolarHBondContact O-CB 3.42Å; V394-F401 HydrophobicContact CB-CB 4.3Å; V394-F401 HydrophobicContact CG1-CB 4.34Å; V394-F401 HydrophobicContact CG2-CB 3.93Å; F401-F420 HydrophobicContact CD1-CB 3.8Å; F401-F420 VanDerWaalsContact CD1-O 3.22Å; F401-F420 WeakPolarHBondContact CD1-O 3.34Å; F401-F420 HydrophobicContact CD2-CB 4.26Å; F401-F420 HydrophobicContact CD2-CD2 4.38Å; F401-F420 HydrophobicContact CE1-CB 3.35Å; F401-F420 HydrophobicContact CE1-CG 4.37Å; F401-F420 HydrophobicContact CE2-CB 3.86Å; F401-F420 AromaticContact CE2-CD2 3.99Å; F401-F420 HydrophobicContact CE2-CD2 3.99Å; F401-F420 HydrophobicContact CE2-CG 4.11Å; F401-F420 HydrophobicContact CG-CB 4.24Å; F401-F420 HydrophobicContact CZ-CB 3.39Å; F401-F420 HydrophobicContact CZ-CD2 4.29Å; F401-F420 AromaticContact CZ-CG 3.92Å; F401-F420 HydrophobicContact CZ-CG 3.92Å; F401-F420 PolarHBondContact N-O 3.21Å; F401-F420 PolarHBondContact O-N 2.78Å; F401-F422 HydrophobicContact CD1-CD1 4.11Å
402	Y	96.3	Very high	92.4	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.7	176.3	60.1	-97.6	0	0	0	110.6	Y392 I393 L400 K404 R416 E445 I448	Y392-Y402 CarbonylContact C-O 3.52Å; Y392-Y402 WeakPolarHBondContact CA-O 3.44Å; I393-Y402 HydrophobicContact CB-CD1 4.28Å; I393-Y402 HydrophobicContact CB-CD2 3.91Å; I393-Y402 HydrophobicContact CB-CE1 3.88Å; I393-Y402 HydrophobicContact CB-CE2 3.47Å; I393-Y402 VanDerWaalsContact CB-CE2 3.47Å; I393-Y402 HydrophobicContact CB-CG 4.35Å; I393-Y402 VanDerWaalsContact CB-CZ 3.48Å; I393-Y402 HydrophobicContact CG1-CD2 4.08Å; I393-Y402 HydrophobicContact CG1-CE2 3.48Å; I393-Y402 VanDerWaalsContact CG1-CE2 3.48Å; I393-Y402 HydrophobicContact CG2-CE1 3.81Å; I393-Y402 HydrophobicContact CG2-CE2 4.01Å; I393-Y402 PolarHBondContact N-O 3.23Å; I393-Y402 PolarHBondContact O-N 3.12Å; L400-Y402 HydrophobicContact CD1-CD1 4.15Å; Y402-K404 HydrophobicContact CD2-CG 4.17Å; Y402-K404 HydrophobicContact CE2-CD 4.04Å; Y402-K404 HydrophobicContact CE2-CG 3.87Å; Y402-R416 VanDerWaalsContact CD1-CZ 3.42Å; Y402-R416 HydrophobicContact CD2-CB 4.45Å; Y402-R416 HydrophobicContact CD2-CG 3.47Å; Y402-R416 VanDerWaalsContact CD2-CG 3.47Å; Y402-R416 HydrophobicContact CE2-CG 3.67Å; Y402-R416 VanDerWaalsContact CE2-NE 3.32Å; Y402-R416 HydrophobicContact CG-CG 3.97Å; Y402-E445 PolarHBondContact OH-OE1 3.4Å; Y402-E445 PolarHBondContact OH-OE2 3.45Å; Y402-I448 WeakPolarHBondContact OH-CD1 3.33Å
403	Q	96.1	Very high	92.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.1	-178.8	-176.8	179.7	80.7	0	0	111.5	Y377 I390 M391 Y392 S417	Y377-Q403 PolarHBondContact O-NE2 3.14Å; Y377-Q403 PolarHBondContact O-OE1 3.4Å; I390-Q403 HydrophobicContact CB-CG 4.39Å; I390-Q403 VanDerWaalsContact CD1-NE2 3.28Å; M391-Q403 WeakPolarHBondContact O-CA 3.49Å; Y392-Q403 HydrophobicContact CD1-CB 4.07Å; Y392-Q403 HydrophobicContact CE1-CB 3.83Å; Y392-Q403 HydrophobicContact CE1-CG 4.26Å; Q403-S417 PolarHBondContact N-OG 3.16Å; Q403-S417 PolarHBondContact O-N 2.91Å
404	K	95	Very high	91.7	Very high	22 Å²	22	47.5 Å²	47.5	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	167.6	158.2	-60.8	-172.5	80.1	-176.1	0	109.8	M391 I393 Y402 I448 E452	M391-K404 HydrophobicContact CE-CB 4.45Å; M391-K404 HydrophobicContact CG-CB 3.74Å; M391-K404 PolarHBondContact N-O 3.33Å; M391-K404 PolarHBondContact O-N 2.77Å; M391-K404 VanDerWaalsContact O-O 3.12Å; M391-K404 HydrophobicContact SD-CB 4.1Å; I393-K404 HydrophobicContact CD1-CD 4.38Å; I393-K404 HydrophobicContact CG1-CD 3.88Å; I393-K404 HydrophobicContact CG1-CG 4Å; Y402-K404 HydrophobicContact CD2-CG 4.17Å; Y402-K404 HydrophobicContact CE2-CD 4.04Å; Y402-K404 HydrophobicContact CE2-CG 3.87Å; K404-I448 HydrophobicContact CD-CG2 4.24Å; K404-E452 WeakPolarHBondContact CD-OE1 3.38Å; K404-E452 WeakPolarHBondContact CE-OE1 3.25Å; K404-E452 IonicContact NZ-OE1 3.11Å; K404-E452 PolarHBondContact NZ-OE1 3.15Å; K404-E452 IonicContact NZ-OE2 3.98Å; K404-E452 PolarHBondContact NZ-OE2 2.85Å
405	C	92.5	Very high	91.4	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.3	-176.7	-60.6	0	0	0	0	110.5	C378 D407 C410 R411	C378-C405 PolarHBondContact SG-SG 3.23Å; C405-D407 HydrophobicContact CB-CB 4.27Å; C405-D407 PolarHBondContact O-N 2.86Å; C405-C410 HydrophobicContact CB-CB 3.75Å; C405-R411 VanDerWaalsContact O-CG 3.24Å; C405-R411 WeakPolarHBondContact O-CG 3.14Å
406	H	86.6	Confident	91.4	Very high	33 Å²	33	52.9 Å²	52.9	15%	0.153	25%	0.252	C	S	.	.			trans	-77.3	-5.7	172.1	-64.4	-85.4	0	0	0	113	D371 H389 M391 E408 R411 E455	D371-H406 IonicContact OD1-NE2 3.78Å; H389-H406 PolarHBondContact O-CD2 3.03Å; H389-H406 VanDerWaalsContact O-CD2 3.32Å; H389-H406 PolarHBondContact O-N 3.49Å; M391-H406 WeakPolarHBondContact CE-CE1 3.12Å; H406-E408 PolarHBondContact O-N 3.27Å; H406-R411 VanDerWaalsContact O-CZ 3.28Å; H406-R411 PolarHBondContact O-NE 2.88Å; H406-R411 PolarHBondContact O-NH2 3.19Å; H406-E455 IonicContact CE1-OE1 3.56Å; H406-E455 IonicContact CE1-OE2 2.69Å; H406-E455 PolarHBondContact CE1-OE2 3.15Å; H406-E455 IonicContact ND1-OE2 2.85Å
407	D	88.9	Confident	91.4	Very high	28 Å²	28	53.1 Å²	53.1	15%	0.15	25%	0.254	C	S	.	.			trans	-61.2	132.7	176.5	-171.1	84.1	0	0	0	111.8	H385 N388 C405 E409 C410 R411	H385-D407 WeakPolarHBondContact CE1-CB 3.32Å; H385-D407 IonicContact CE1-OD1 2.65Å; H385-D407 IonicContact CE1-OD2 3.05Å; H385-D407 VanDerWaalsContact ND1-CG 3.33Å; H385-D407 IonicContact ND1-OD1 3.08Å; H385-D407 PolarHBondContact ND1-OD1 2.8Å; H385-D407 VanDerWaalsContact ND1-OD1 3.13Å; H385-D407 IonicContact ND1-OD2 2.79Å; N388-D407 HydrophobicContact CB-CB 4.06Å; N388-D407 PolarHBondContact ND2-OD1 3Å; C405-D407 HydrophobicContact CB-CB 4.27Å; C405-D407 PolarHBondContact O-N 2.86Å; D407-E409 PolarHBondContact O-N 3.33Å; D407-E409 PolarHBondContact OD2-N 3.45Å; D407-C410 HydrophobicContact CB-CB 4.15Å; D407-C410 PolarHBondContact O-N 3.08Å; D407-C410 VanDerWaalsContact O-N 3.15Å; D407-R411 PolarHBondContact O-N 2.9Å
408	E	87.8	Confident	91.6	Very high	131 Å²	131	57 Å²	57	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-61.5	-43	-171.4	-173.4	173.2	-173	0	0	112.2	H406 C410 R411 L412	H406-E408 PolarHBondContact O-N 3.27Å; E408-C410 VanDerWaalsContact C-N 3.3Å; E408-C410 PolarHBondContact O-N 3.01Å; E408-R411 PolarHBondContact O-N 3.29Å; E408-L412 HydrophobicContact CG-CD1 3.92Å; E408-L412 HydrophobicContact CG-CG 4.27Å; E408-L412 WeakPolarHBondContact O-CB 3.25Å; E408-L412 VanDerWaalsContact O-CG 3.26Å; E408-L412 WeakPolarHBondContact O-CG 3.25Å; E408-L412 PolarHBondContact O-N 3.22Å
409	E	90.3	Very high	91.9	Very high	126 Å²	126	54.5 Å²	54.5	59%	0.589	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-38.3	176.8	-63.8	179.7	-171.6	0	0	111.8	D407 M413	D407-E409 PolarHBondContact O-N 3.33Å; D407-E409 PolarHBondContact OD2-N 3.45Å; E409-M413 WeakPolarHBondContact O-CG 3.3Å; E409-M413 PolarHBondContact O-N 2.85Å
410	C	90.3	Very high	92	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-40.9	177.6	-62.8	0	0	0	0	111.3	C405 D407 E408 G414 Y415	C405-C410 HydrophobicContact CB-CB 3.75Å; D407-C410 HydrophobicContact CB-CB 4.15Å; D407-C410 PolarHBondContact O-N 3.08Å; D407-C410 VanDerWaalsContact O-N 3.15Å; E408-C410 VanDerWaalsContact C-N 3.3Å; E408-C410 PolarHBondContact O-N 3.01Å; C410-G414 PolarHBondContact O-N 3.28Å; C410-Y415 HydrophobicContact CB-CD1 4.42Å; C410-Y415 VanDerWaalsContact O-CB 3.24Å; C410-Y415 WeakPolarHBondContact O-CB 3.48Å; C410-Y415 PolarHBondContact O-N 2.82Å
411	R	87.5	Confident	92	Very high	140 Å²	140	60.8 Å²	60.8	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-67.2	-44.8	177.6	-75	-170.2	-74.5	155.2	-2.8	112.5	C405 H406 D407 E408 M413 G414	C405-R411 VanDerWaalsContact O-CG 3.24Å; C405-R411 WeakPolarHBondContact O-CG 3.14Å; H406-R411 VanDerWaalsContact O-CZ 3.28Å; H406-R411 PolarHBondContact O-NE 2.88Å; H406-R411 PolarHBondContact O-NH2 3.19Å; D407-R411 PolarHBondContact O-N 2.9Å; E408-R411 PolarHBondContact O-N 3.29Å; R411-M413 PolarHBondContact O-N 2.77Å; R411-G414 PolarHBondContact O-N 2.97Å
412	L	87.6	Confident	91.9	Very high	136 Å²	136	61 Å²	61	71%	0.712	31%	0.31	S	S	*	.	H	α-helix	trans	-60	-32.8	-178.2	-76.6	172.7	0	0	0	112.8	E408	E408-L412 HydrophobicContact CG-CD1 3.92Å; E408-L412 HydrophobicContact CG-CG 4.27Å; E408-L412 WeakPolarHBondContact O-CB 3.25Å; E408-L412 VanDerWaalsContact O-CG 3.26Å; E408-L412 WeakPolarHBondContact O-CG 3.25Å; E408-L412 PolarHBondContact O-N 3.22Å
413	M	90.1	Very high	91.7	Very high	120 Å²	120	64.2 Å²	64.2	59%	0.591	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	2.5	176.3	-56.1	-166.5	-27.7	0	0	113.9	E409 R411 Y415	E409-M413 WeakPolarHBondContact O-CG 3.3Å; E409-M413 PolarHBondContact O-N 2.85Å; R411-M413 PolarHBondContact O-N 2.77Å; M413-Y415 VanDerWaalsContact C-N 3.33Å; M413-Y415 PolarHBondContact O-N 3.42Å
414	G	87.7	Confident	91.3	Very high	53 Å²	53	68.5 Å²	68.5	55%	0.546	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	36.8	-175.7	0	0	0	0	0	113.3	C410 R411 R416	C410-G414 PolarHBondContact O-N 3.28Å; R411-G414 PolarHBondContact O-N 2.97Å; G414-R416 PolarHBondContact O-N 3.31Å
415	Y	90.9	Very high	91.1	Very high	38 Å²	38	71.3 Å²	71.3	15%	0.149	38%	0.38	C	S	.	.			trans	-60.4	131.2	-176.5	175.3	-107.6	0	0	0	112.5	H379 R380 C410 M413	H379-Y415 WeakPolarHBondContact CB-OH 3.18Å; R380-Y415 HydrophobicContact CB-CD1 4.18Å; R380-Y415 HydrophobicContact CB-CD2 3.82Å; R380-Y415 HydrophobicContact CB-CE1 3.89Å; R380-Y415 HydrophobicContact CB-CE2 3.51Å; R380-Y415 HydrophobicContact CB-CG 4.15Å; R380-Y415 HydrophobicContact CG-CD2 3.95Å; R380-Y415 HydrophobicContact CG-CE2 3.99Å; R380-Y415 HydrophobicContact CG-CG 4.44Å; R380-Y415 PolarHBondContact N-OH 3.05Å; R380-Y415 VanDerWaalsContact N-OH 3.12Å; C410-Y415 HydrophobicContact CB-CD1 4.42Å; C410-Y415 VanDerWaalsContact O-CB 3.24Å; C410-Y415 WeakPolarHBondContact O-CB 3.48Å; C410-Y415 PolarHBondContact O-N 2.82Å; M413-Y415 VanDerWaalsContact C-N 3.33Å; M413-Y415 PolarHBondContact O-N 3.42Å
416	R	93	Very high	90.9	Very high	79 Å²	79	72.6 Å²	72.6	30%	0.298	39%	0.387	S	S	.	.			trans	-139.9	134.5	173.2	168.6	172.8	-169.6	-72.8	2	108.1	Y402 G414 D419 E445	Y402-R416 VanDerWaalsContact CD1-CZ 3.42Å; Y402-R416 HydrophobicContact CD2-CB 4.45Å; Y402-R416 HydrophobicContact CD2-CG 3.47Å; Y402-R416 VanDerWaalsContact CD2-CG 3.47Å; Y402-R416 HydrophobicContact CE2-CG 3.67Å; Y402-R416 VanDerWaalsContact CE2-NE 3.32Å; Y402-R416 HydrophobicContact CG-CG 3.97Å; G414-R416 PolarHBondContact O-N 3.31Å; R416-D419 IonicContact CZ-OD1 3.77Å; R416-D419 IonicContact NH1-OD1 3.87Å; R416-D419 PolarHBondContact NH1-OD1 3.4Å; R416-D419 IonicContact NH2-OD1 3.45Å; R416-D419 PolarHBondContact NH2-OD1 2.83Å; R416-D419 IonicContact NH2-OD2 3.82Å; R416-E445 IonicContact NE-OE1 2.67Å
417	S	93.9	Very high	90.9	Very high	7 Å²	7	72.4 Å²	72.4	5%	0.049	39%	0.387	C	S	.	.			trans	-73.6	178.5	175.4	76.2	0	0	0	0	112.8	Q403	Q403-S417 PolarHBondContact N-OG 3.16Å; Q403-S417 PolarHBondContact O-N 2.91Å
418	N	94.4	Very high	89.9	Confident	132 Å²	132	78.4 Å²	78.4	71%	0.706	41%	0.414	S	S	*	.			trans	-57	156.1	164.8	-63.7	-17.3	0	0	0	111.5	F420	N418-F420 VanDerWaalsContact O-CD2 3.29Å; N418-F420 WeakPolarHBondContact O-CD2 3.32Å; N418-F420 VanDerWaalsContact O-CE2 3.29Å; N418-F420 WeakPolarHBondContact O-CE2 3.14Å
419	D	95.7	Very high	88.7	Confident	59 Å²	59	74.5 Å²	74.5	32%	0.316	40%	0.395	S	S	.	.			trans	-74.4	129.4	172.7	-67.3	0.5	0	0	0	109.6	R398 L400 R416	R398-D419 IonicContact NH2-OD2 3.13Å; R398-D419 PolarHBondContact NH2-OD2 3.43Å; R398-D419 VanDerWaalsContact NH2-OD2 3.13Å; L400-D419 HydrophobicContact CD1-CB 4.38Å; L400-D419 HydrophobicContact CD2-CB 4.24Å; R416-D419 IonicContact CZ-OD1 3.77Å; R416-D419 IonicContact NH1-OD1 3.87Å; R416-D419 PolarHBondContact NH1-OD1 3.4Å; R416-D419 IonicContact NH2-OD1 3.45Å; R416-D419 PolarHBondContact NH2-OD1 2.83Å; R416-D419 IonicContact NH2-OD2 3.82Å
420	F	95.5	Very high	86.9	Confident	56 Å²	56	74.9 Å²	74.9	25%	0.246	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.6	173.2	-63.1	-81.3	0	0	0	108.7	H379 L400 F401 N418	H379-F420 AromaticContact CE1-CE2 3.73Å; H379-F420 AromaticContact CE1-CZ 3.51Å; H379-F420 AromaticContact ND1-CE2 3.85Å; H379-F420 AromaticContact ND1-CZ 3.68Å; L400-F420 CarbonylContact C-O 3.49Å; L400-F420 VanDerWaalsContact CA-O 3.24Å; L400-F420 WeakPolarHBondContact CA-O 3.42Å; F401-F420 HydrophobicContact CD1-CB 3.8Å; F401-F420 VanDerWaalsContact CD1-O 3.22Å; F401-F420 WeakPolarHBondContact CD1-O 3.34Å; F401-F420 HydrophobicContact CD2-CB 4.26Å; F401-F420 HydrophobicContact CD2-CD2 4.38Å; F401-F420 HydrophobicContact CE1-CB 3.35Å; F401-F420 HydrophobicContact CE1-CG 4.37Å; F401-F420 HydrophobicContact CE2-CB 3.86Å; F401-F420 AromaticContact CE2-CD2 3.99Å; F401-F420 HydrophobicContact CE2-CD2 3.99Å; F401-F420 HydrophobicContact CE2-CG 4.11Å; F401-F420 HydrophobicContact CG-CB 4.24Å; F401-F420 HydrophobicContact CZ-CB 3.39Å; F401-F420 HydrophobicContact CZ-CD2 4.29Å; F401-F420 AromaticContact CZ-CG 3.92Å; F401-F420 HydrophobicContact CZ-CG 3.92Å; F401-F420 PolarHBondContact N-O 3.21Å; F401-F420 PolarHBondContact O-N 2.78Å; N418-F420 VanDerWaalsContact O-CD2 3.29Å; N418-F420 WeakPolarHBondContact O-CD2 3.32Å; N418-F420 VanDerWaalsContact O-CE2 3.29Å; N418-F420 WeakPolarHBondContact O-CE2 3.14Å
421	P	95.7	Very high	84.8	Confident	109 Å²	109	77.4 Å²	77.4	71%	0.708	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	151.3	178.1	30.4	-34.4	0	0	0	110.9	C399	C399-P421 WeakPolarHBondContact O-CA 3.34Å
422	F	93.7	Very high	82.5	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.035	45%	0.449	C	S	.	.			trans	-130.6	153.8	168.5	63.6	-99.3	0	0	0	110.9	L339 F342 V394 L396 C399 F401 L426 L427	L339-F422 HydrophobicContact CD1-CD1 4.48Å; L339-F422 HydrophobicContact CD1-CD2 4.04Å; L339-F422 HydrophobicContact CD1-CE1 4.47Å; L339-F422 HydrophobicContact CD1-CE2 4.06Å; L339-F422 HydrophobicContact CD1-CG 4.25Å; L339-F422 HydrophobicContact CD1-CZ 4.25Å; F342-F422 HydrophobicContact CE1-CB 4.3Å; F342-F422 HydrophobicContact CZ-CB 4.18Å; V394-F422 HydrophobicContact CG1-CE1 3.58Å; V394-F422 HydrophobicContact CG1-CZ 3.96Å; L396-F422 HydrophobicContact CD2-CZ 4.45Å; C399-F422 VanDerWaalsContact C-CD1 3.41Å; C399-F422 VanDerWaalsContact CA-CZ 3.42Å; C399-F422 HydrophobicContact CB-CD2 4.23Å; C399-F422 HydrophobicContact CB-CE2 3.92Å; C399-F422 HydrophobicContact CB-CZ 4.14Å; C399-F422 WeakPolarHBondContact O-CD1 3.31Å; C399-F422 PolarHBondContact O-N 3.32Å; F401-F422 HydrophobicContact CD1-CD1 4.11Å; F422-L426 HydrophobicContact CB-CD1 4.21Å; F422-L426 HydrophobicContact CD2-CB 4.44Å; F422-L426 HydrophobicContact CD2-CD1 4.24Å; F422-L427 HydrophobicContact CE2-CD1 4.26Å; F422-L427 HydrophobicContact CE2-CD2 3.77Å; F422-L427 HydrophobicContact CE2-CG 3.97Å; F422-L427 HydrophobicContact CZ-CD2 4.12Å
423	P	92.7	Very high	80.7	Confident	67 Å²	67	71.3 Å²	71.3	44%	0.435	44%	0.436	S	S	.	.			trans	-61.3	131.9	-179.3	-24.8	34.5	0	0	0	112.8	C425 L426	P423-C425 PolarHBondContact O-N 3.39Å; P423-C425 VanDerWaalsContact O-N 3.14Å; P423-L426 HydrophobicContact CB-CG 4.3Å; P423-L426 WeakPolarHBondContact O-CB 3.44Å; P423-L426 WeakPolarHBondContact O-CG 3.39Å; P423-L426 PolarHBondContact O-N 2.85Å; P423-L426 VanDerWaalsContact O-N 3.09Å
424	P	88.3	Confident	79.2	Confident	91 Å²	91	70.2 Å²	70.2	59%	0.591	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-59.1	-26.3	179.3	-27	34.6	0	0	0	114.8	C399 L426 L427	C399-P424 HydrophobicContact CB-CG 4.38Å; P424-L426 PolarHBondContact O-N 3.48Å; P424-L426 VanDerWaalsContact O-N 3.1Å; P424-L427 WeakPolarHBondContact O-CB 3.49Å; P424-L427 PolarHBondContact O-N 3.41Å; P424-L427 VanDerWaalsContact O-N 3.1Å
425	C	89.2	Confident	78.1	Confident	81 Å²	81	69.8 Å²	69.8	55%	0.547	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-62.3	-15.6	176.8	60.2	0	0	0	0	113.8	P423 L427	P423-C425 PolarHBondContact O-N 3.39Å; P423-C425 VanDerWaalsContact O-N 3.14Å; C425-L427 PolarHBondContact O-N 3.22Å
426	L	89.9	Confident	76.6	Confident	29 Å²	29	71.9 Å²	71.9	15%	0.152	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-71.6	-11.8	175.6	-58.8	-176.5	0	0	0	113.3	L339 F342 F422 P423 P424	L339-L426 HydrophobicContact CB-CB 4.41Å; L339-L426 HydrophobicContact CD1-CB 4.42Å; L339-L426 HydrophobicContact CD1-CD1 4.33Å; L339-L426 PolarHBondContact N-O 3.15Å; F342-L426 HydrophobicContact CB-CD1 3.66Å; F342-L426 HydrophobicContact CD1-CD1 4.44Å; F342-L426 HydrophobicContact CD2-CD1 3.94Å; F342-L426 HydrophobicContact CG-CD1 3.75Å; F422-L426 HydrophobicContact CB-CD1 4.21Å; F422-L426 HydrophobicContact CD2-CB 4.44Å; F422-L426 HydrophobicContact CD2-CD1 4.24Å; P423-L426 HydrophobicContact CB-CG 4.3Å; P423-L426 WeakPolarHBondContact O-CB 3.44Å; P423-L426 WeakPolarHBondContact O-CG 3.39Å; P423-L426 PolarHBondContact O-N 2.85Å; P423-L426 VanDerWaalsContact O-N 3.09Å; P424-L426 PolarHBondContact O-N 3.48Å; P424-L426 VanDerWaalsContact O-N 3.1Å
427	L	85.2	Confident	75.1	Confident	29 Å²	29	75.2 Å²	75.2	15%	0.152	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-92.5	9	-177.6	-59	-177.8	0	0	0	114.2	F336 L339 L396 F422 P424 C425 K429 F435	F336-L427 HydrophobicContact CD1-CD2 4.36Å; L339-L427 HydrophobicContact CD2-CD2 4.43Å; L396-L427 HydrophobicContact CD2-CD2 3.69Å; L396-L427 VanDerWaalsContact O-CD1 3.24Å; L396-L427 WeakPolarHBondContact O-CD1 3.5Å; F422-L427 HydrophobicContact CE2-CD1 4.26Å; F422-L427 HydrophobicContact CE2-CD2 3.77Å; F422-L427 HydrophobicContact CE2-CG 3.97Å; F422-L427 HydrophobicContact CZ-CD2 4.12Å; P424-L427 WeakPolarHBondContact O-CB 3.49Å; P424-L427 PolarHBondContact O-N 3.41Å; P424-L427 VanDerWaalsContact O-N 3.1Å; C425-L427 PolarHBondContact O-N 3.22Å; L427-K429 PolarHBondContact O-N 3.1Å; L427-F435 HydrophobicContact CD1-CE2 4.39Å
428	E	69.1	Low	73.8	Confident	154 Å²	154	78.8 Å²	78.8	72%	0.72	49%	0.492	S	S	*	.			trans	-56.8	97.2	175.6	-73.5	179.1	-170.4	0	0	110.3
429	K	62	Low	72.9	Confident	50 Å²	50	73.3 Å²	73.3	22%	0.217	46%	0.463	C	S	.	.			trans	-73.6	142	178.5	-76	-172.8	178.6	179.3	0	109.8	F336 E363 L427 G431 S433	F336-K429 HydrophobicContact CD1-CG 3.95Å; F336-K429 HydrophobicContact CE1-CD 4.08Å; F336-K429 HydrophobicContact CE1-CG 3.45Å; F336-K429 VanDerWaalsContact CE1-CG 3.45Å; F336-K429 HydrophobicContact CZ-CG 4.41Å; E363-K429 IonicContact OE1-NZ 3.64Å; E363-K429 PolarHBondContact OE1-NZ 3.12Å; L427-K429 PolarHBondContact O-N 3.1Å; K429-G431 WeakPolarHBondContact CB-O 3.32Å; K429-G431 WeakPolarHBondContact CD-O 3.45Å; K429-G431 PolarHBondContact O-N 3.43Å; K429-S433 PolarHBondContact NZ-O 3.12Å
430	T	51.9	Low	72.2	Confident	133 Å²	133	73 Å²	73	82%	0.816	47%	0.465	S	S	*	.	S	Bend	trans	-70.4	82.5	146.8	38.5	0	0	0	0	108.7
431	G	47.6	Very low	71.6	Confident	54 Å²	54	74.1 Å²	74.1	56%	0.557	47%	0.474	S	S	*	.	S	Bend	trans	109.4	109.1	175.8	0	0	0	0	0	114	K429	K429-G431 WeakPolarHBondContact CB-O 3.32Å; K429-G431 WeakPolarHBondContact CD-O 3.45Å; K429-G431 PolarHBondContact O-N 3.43Å
432	G	37.9	Very low	71	Confident	86 Å²	86	75 Å²	75	89%	0.887	47%	0.468	S	S	*	.			trans	-77.5	121.3	-175.2	0	0	0	0	0	113.8
433	S	50.9	Low	70.5	Confident	63 Å²	63	79.1 Å²	79.1	44%	0.441	49%	0.488	S	S	.	.			trans	-124.9	121.5	152	-179	0	0	0	0	106.7	E363 K429	E363-S433 WeakPolarHBondContact OE1-CB 3.37Å; K429-S433 PolarHBondContact NZ-O 3.12Å
434	A	57.6	Low	70.1	Confident	96 Å²	96	76.1 Å²	76.1	79%	0.793	47%	0.468	S	S	*	.			trans	-62.8	134.6	174.6	0	0	0	0	0	109
435	F	65.5	Low	70	Confident	44 Å²	44	74.7 Å²	74.7	19%	0.193	45%	0.454	C	S	.	.			trans	-63.5	145.9	176.3	-57.9	-67.3	0	0	0	109.8	L396 R397 L427 D437	L396-F435 HydrophobicContact CB-CE1 3.84Å; L396-F435 HydrophobicContact CB-CE2 4.07Å; L396-F435 HydrophobicContact CB-CZ 3.54Å; L396-F435 HydrophobicContact CD1-CE1 3.85Å; L396-F435 HydrophobicContact CD1-CZ 4.01Å; L396-F435 HydrophobicContact CG-CZ 4.41Å; R397-F435 HydrophobicContact CG-CB 3.95Å; R397-F435 HydrophobicContact CG-CG 4.22Å; L427-F435 HydrophobicContact CD1-CE2 4.39Å; F435-D437 PolarHBondContact O-N 3.22Å
436	N	59.2	Low	69.8	Low	83 Å²	83	75.2 Å²	75.2	44%	0.444	45%	0.447	S	S	.	.			trans	-74.8	101.6	178.3	-167.9	4.5	0	0	0	109.5	S364 S438 V439	S364-N436 WeakPolarHBondContact O-CB 3.49Å; N436-S438 VanDerWaalsContact CG-OG 3.22Å; N436-S438 PolarHBondContact ND2-OG 3.17Å; N436-S438 PolarHBondContact O-N 2.88Å; N436-S438 WeakPolarHBondContact OD1-CB 3.46Å; N436-S438 PolarHBondContact OD1-N 3.14Å; N436-S438 PolarHBondContact OD1-OG 2.78Å; N436-V439 PolarHBondContact O-N 3.49Å
437	D	62.2	Low	69.5	Low	148 Å²	148	74.1 Å²	74.1	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.6	177	-76.7	-20	0	0	0	113.2	F435 V439	F435-D437 PolarHBondContact O-N 3.22Å; D437-V439 VanDerWaalsContact C-N 3.34Å; D437-V439 PolarHBondContact O-N 3.08Å
438	S	66.2	Low	69.6	Low	83 Å²	83	72.8 Å²	72.8	58%	0.58	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.6	178.1	83.8	0	0	0	0	115	N436 S440	N436-S438 VanDerWaalsContact CG-OG 3.22Å; N436-S438 PolarHBondContact ND2-OG 3.17Å; N436-S438 PolarHBondContact O-N 2.88Å; N436-S438 WeakPolarHBondContact OD1-CB 3.46Å; N436-S438 PolarHBondContact OD1-N 3.14Å; N436-S438 PolarHBondContact OD1-OG 2.78Å; S438-S440 PolarHBondContact O-N 3.18Å
439	V	74.6	Confident	70.4	Confident	16 Å²	16	68 Å²	68	10%	0.097	42%	0.415	C	S	.	.			trans	-77	112.9	-178.8	-178	0	0	0	0	109.3	R397 N436 D437 Q443 F444 M447	R397-V439 PolarHBondContact NH1-O 2.78Å; N436-V439 PolarHBondContact O-N 3.49Å; D437-V439 VanDerWaalsContact C-N 3.34Å; D437-V439 PolarHBondContact O-N 3.08Å; V439-Q443 HydrophobicContact CG1-CB 4.01Å; V439-F444 HydrophobicContact CG1-CB 4.28Å; V439-M447 HydrophobicContact CG1-SD 4.42Å
440	S	81.4	Confident	71.4	Confident	52 Å²	52	66.2 Å²	66.2	36%	0.364	41%	0.408	S	S	.	.			trans	-70.8	155.8	175.6	76.4	0	0	0	0	111.5	S438 E442 Q443 F444	S438-S440 PolarHBondContact O-N 3.18Å; S440-E442 PolarHBondContact O-N 3.31Å; S440-Q443 WeakPolarHBondContact O-CA 3.33Å; S440-Q443 WeakPolarHBondContact O-CB 3.41Å; S440-Q443 PolarHBondContact O-N 3.43Å; S440-Q443 WeakPolarHBondContact OG-CG 3.3Å; S440-Q443 PolarHBondContact OG-N 2.87Å; S440-Q443 VanDerWaalsContact OG-N 3.14Å; S440-F444 PolarHBondContact O-N 3.45Å
441	D	82.7	Confident	72.8	Confident	81 Å²	81	60 Å²	60	43%	0.433	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-34	176.1	-78.1	1.5	0	0	0	111.9	R397 R398 F444 E445	R397-D441 IonicContact NH2-OD1 3.15Å; R397-D441 PolarHBondContact NH2-OD1 2.85Å; R398-D441 IonicContact CZ-OD2 2.83Å; R398-D441 IonicContact NH1-OD2 3.25Å; R398-D441 PolarHBondContact NH1-OD2 3.31Å; R398-D441 VanDerWaalsContact NH1-OD2 3.11Å; D441-F444 PolarHBondContact O-N 2.92Å; D441-E445 WeakPolarHBondContact O-CG 3.36Å; D441-E445 PolarHBondContact O-N 3.23Å
442	E	83.7	Confident	74.4	Confident	126 Å²	126	59.5 Å²	59.5	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-66.2	-39.4	173.7	-165.7	-168.4	163.7	0	0	112	S440 K446	S440-E442 PolarHBondContact O-N 3.31Å; E442-K446 WeakPolarHBondContact O-CB 3.49Å; E442-K446 VanDerWaalsContact O-CG 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.2Å; E442-K446 PolarHBondContact O-N 3.34Å; E442-K446 VanDerWaalsContact O-N 3.09Å; E442-K446 VanDerWaalsContact OE1-CE 3.23Å; E442-K446 WeakPolarHBondContact OE1-CE 3.16Å; E442-K446 IonicContact OE1-NZ 2.77Å; E442-K446 PolarHBondContact OE1-NZ 2.92Å
443	Q	82.3	Confident	76.3	Confident	96 Å²	96	63 Å²	63	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-41.7	174.1	-75	173.4	-19	0	0	111.1	V439 S440 K446 M447	V439-Q443 HydrophobicContact CG1-CB 4.01Å; S440-Q443 WeakPolarHBondContact O-CA 3.33Å; S440-Q443 WeakPolarHBondContact O-CB 3.41Å; S440-Q443 PolarHBondContact O-N 3.43Å; S440-Q443 WeakPolarHBondContact OG-CG 3.3Å; S440-Q443 PolarHBondContact OG-N 2.87Å; S440-Q443 VanDerWaalsContact OG-N 3.14Å; Q443-K446 PolarHBondContact O-N 3.28Å; Q443-M447 VanDerWaalsContact O-CG 3.23Å; Q443-M447 WeakPolarHBondContact O-CG 3.36Å; Q443-M447 PolarHBondContact O-N 3.43Å
444	F	85.5	Confident	77.4	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-59.4	-48.4	178	-169.5	-94.3	0	0	0	111.8	L367 I393 D395 V439 S440 D441 K446 M447 I448	L367-F444 HydrophobicContact CB-CE2 3.68Å; L367-F444 HydrophobicContact CB-CZ 4.03Å; L367-F444 HydrophobicContact CD1-CE1 4.06Å; L367-F444 HydrophobicContact CD1-CE2 4.01Å; L367-F444 HydrophobicContact CD1-CZ 3.47Å; L367-F444 VanDerWaalsContact CD1-CZ 3.47Å; L367-F444 HydrophobicContact CG-CE2 4.37Å; L367-F444 HydrophobicContact CG-CZ 4.3Å; I393-F444 HydrophobicContact CG2-CE1 4.28Å; D395-F444 HydrophobicContact CB-CE1 3.98Å; D395-F444 HydrophobicContact CB-CE2 4.36Å; D395-F444 HydrophobicContact CB-CZ 3.66Å; V439-F444 HydrophobicContact CG1-CB 4.28Å; S440-F444 PolarHBondContact O-N 3.45Å; D441-F444 PolarHBondContact O-N 2.92Å; F444-K446 PolarHBondContact O-N 2.93Å; F444-M447 WeakPolarHBondContact O-CB 3.37Å; F444-M447 PolarHBondContact O-N 2.89Å; F444-M447 VanDerWaalsContact O-N 3.16Å; F444-I448 HydrophobicContact CD1-CD1 3.54Å; F444-I448 HydrophobicContact CE1-CD1 3.48Å; F444-I448 VanDerWaalsContact CE1-CD1 3.48Å; F444-I448 HydrophobicContact CE1-CG1 4.44Å; F444-I448 HydrophobicContact CZ-CD1 4.4Å; F444-I448 WeakPolarHBondContact O-CD1 3.39Å; F444-I448 WeakPolarHBondContact O-CG1 3.4Å; F444-I448 PolarHBondContact O-N 3.08Å; F444-I448 VanDerWaalsContact O-N 3.09Å
445	E	85.7	Confident	77.9	Confident	62 Å²	62	58.7 Å²	58.7	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-37	177.7	-71.1	-61.9	151.1	0	0	112.9	Y402 R416 D441 M447 I448 T449	Y402-E445 PolarHBondContact OH-OE1 3.4Å; Y402-E445 PolarHBondContact OH-OE2 3.45Å; R416-E445 IonicContact NE-OE1 2.67Å; D441-E445 WeakPolarHBondContact O-CG 3.36Å; D441-E445 PolarHBondContact O-N 3.23Å; E445-M447 VanDerWaalsContact C-N 3.32Å; E445-M447 PolarHBondContact O-N 3.4Å; E445-I448 PolarHBondContact O-N 3.45Å; E445-T449 PolarHBondContact O-N 3.12Å; E445-T449 VanDerWaalsContact O-N 3.07Å; E445-T449 PolarHBondContact O-OG1 2.99Å
446	K	84.8	Confident	77.5	Confident	92 Å²	92	61.1 Å²	61.1	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-38.9	172.3	-77.5	174.7	-174.7	168.8	0	112	L319 E442 Q443 F444 T449 E450	L319-K446 HydrophobicContact CD1-CB 4.21Å; L319-K446 HydrophobicContact CD2-CB 3.78Å; L319-K446 HydrophobicContact CD2-CD 4.07Å; L319-K446 HydrophobicContact CD2-CG 4.41Å; E442-K446 WeakPolarHBondContact O-CB 3.49Å; E442-K446 VanDerWaalsContact O-CG 3.26Å; E442-K446 WeakPolarHBondContact O-CG 3.2Å; E442-K446 PolarHBondContact O-N 3.34Å; E442-K446 VanDerWaalsContact O-N 3.09Å; E442-K446 VanDerWaalsContact OE1-CE 3.23Å; E442-K446 WeakPolarHBondContact OE1-CE 3.16Å; E442-K446 IonicContact OE1-NZ 2.77Å; E442-K446 PolarHBondContact OE1-NZ 2.92Å; Q443-K446 PolarHBondContact O-N 3.28Å; F444-K446 PolarHBondContact O-N 2.93Å; K446-T449 PolarHBondContact O-N 3.37Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 PolarHBondContact O-N 2.88Å
447	M	84.7	Confident	77.3	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-43.3	177	-73.3	175	56.8	0	0	112	F316 L319 F323 L362 A365 V439 Q443 F444 E445 T449 E450 F451	F316-M447 HydrophobicContact CD2-CG 4.5Å; F316-M447 HydrophobicContact CE2-CB 4.46Å; F316-M447 HydrophobicContact CE2-CE 4.22Å; F316-M447 HydrophobicContact CE2-CG 4.43Å; L319-M447 HydrophobicContact CD1-CB 4.38Å; L319-M447 HydrophobicContact CD1-CG 3.69Å; F323-M447 HydrophobicContact CD2-CE 4.33Å; F323-M447 HydrophobicContact CE1-CE 3.74Å; F323-M447 HydrophobicContact CE1-SD 4.5Å; F323-M447 HydrophobicContact CE2-CE 3.47Å; F323-M447 VanDerWaalsContact CE2-CE 3.47Å; F323-M447 HydrophobicContact CE2-SD 4.1Å; F323-M447 HydrophobicContact CZ-CE 3.14Å; F323-M447 HydrophobicContact CZ-SD 3.6Å; L362-M447 HydrophobicContact CD2-CE 3.71Å; A365-M447 HydrophobicContact CB-CE 3.32Å; A365-M447 HydrophobicContact CB-SD 4.11Å; V439-M447 HydrophobicContact CG1-SD 4.42Å; Q443-M447 VanDerWaalsContact O-CG 3.23Å; Q443-M447 WeakPolarHBondContact O-CG 3.36Å; Q443-M447 PolarHBondContact O-N 3.43Å; F444-M447 WeakPolarHBondContact O-CB 3.37Å; F444-M447 PolarHBondContact O-N 2.89Å; F444-M447 VanDerWaalsContact O-N 3.16Å; E445-M447 VanDerWaalsContact C-N 3.32Å; E445-M447 PolarHBondContact O-N 3.4Å; M447-T449 VanDerWaalsContact C-N 3.32Å; M447-T449 PolarHBondContact O-N 3.42Å; M447-E450 PolarHBondContact O-N 2.96Å; M447-F451 VanDerWaalsContact O-CB 3.31Å; M447-F451 WeakPolarHBondContact O-CB 3.5Å; M447-F451 PolarHBondContact O-N 2.76Å
448	I	87	Confident	76.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-43.4	176.3	-65.3	152	0	0	0	110.6	L367 I393 Y402 K404 F444 E445 E450 F451 E452	L367-I448 HydrophobicContact CD1-CD1 4.25Å; L367-I448 HydrophobicContact CD1-CG1 3.84Å; L367-I448 HydrophobicContact CD2-CG1 3.93Å; I393-I448 HydrophobicContact CD1-CG2 3.99Å; I393-I448 HydrophobicContact CG1-CG2 4.37Å; I393-I448 HydrophobicContact CG2-CD1 3.59Å; I393-I448 HydrophobicContact CG2-CG1 4.05Å; Y402-I448 WeakPolarHBondContact OH-CD1 3.33Å; K404-I448 HydrophobicContact CD-CG2 4.24Å; F444-I448 HydrophobicContact CD1-CD1 3.54Å; F444-I448 HydrophobicContact CE1-CD1 3.48Å; F444-I448 VanDerWaalsContact CE1-CD1 3.48Å; F444-I448 HydrophobicContact CE1-CG1 4.44Å; F444-I448 HydrophobicContact CZ-CD1 4.4Å; F444-I448 WeakPolarHBondContact O-CD1 3.39Å; F444-I448 WeakPolarHBondContact O-CG1 3.4Å; F444-I448 PolarHBondContact O-N 3.08Å; F444-I448 VanDerWaalsContact O-N 3.09Å; E445-I448 PolarHBondContact O-N 3.45Å; I448-E450 VanDerWaalsContact C-N 3.33Å; I448-E450 PolarHBondContact O-N 3.44Å; I448-F451 WeakPolarHBondContact O-CB 3.34Å; I448-F451 PolarHBondContact O-N 3.45Å; I448-E452 HydrophobicContact CG2-CG 4.48Å; I448-E452 WeakPolarHBondContact O-CG 3.39Å; I448-E452 PolarHBondContact O-N 3Å
449	T	85.3	Confident	75.8	Confident	54 Å²	54	58.2 Å²	58.2	33%	0.331	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-41.2	177.8	-56.5	0	0	0	0	111.7	E445 K446 M447 R453	E445-T449 PolarHBondContact O-N 3.12Å; E445-T449 VanDerWaalsContact O-N 3.07Å; E445-T449 PolarHBondContact O-OG1 2.99Å; K446-T449 PolarHBondContact O-N 3.37Å; M447-T449 VanDerWaalsContact C-N 3.32Å; M447-T449 PolarHBondContact O-N 3.42Å; T449-R453 WeakPolarHBondContact O-CG 3.42Å; T449-R453 PolarHBondContact O-N 3.11Å; T449-R453 VanDerWaalsContact O-N 3.15Å
450	E	83.5	Confident	73.8	Confident	13 Å²	13	59.8 Å²	59.8	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-70	-37.2	177.2	-168	66	-171.2	0	0	111.5	F316 N318 K446 M447 I448 R453 Q454	F316-E450 HydrophobicContact CB-CG 3.87Å; F316-E450 HydrophobicContact CD1-CB 3.94Å; F316-E450 HydrophobicContact CD1-CG 3.31Å; F316-E450 HydrophobicContact CE1-CB 4.28Å; F316-E450 HydrophobicContact CE1-CG 4.02Å; F316-E450 HydrophobicContact CG-CB 4.26Å; F316-E450 HydrophobicContact CG-CG 3.75Å; N318-E450 VanDerWaalsContact ND2-CD 3.32Å; N318-E450 PolarHBondContact ND2-OE1 3.35Å; N318-E450 VanDerWaalsContact ND2-OE1 3.13Å; N318-E450 PolarHBondContact ND2-OE2 3.39Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 PolarHBondContact O-N 2.88Å; M447-E450 PolarHBondContact O-N 2.96Å; I448-E450 VanDerWaalsContact C-N 3.33Å; I448-E450 PolarHBondContact O-N 3.44Å; E450-R453 WeakPolarHBondContact O-CB 3.33Å; E450-R453 PolarHBondContact O-N 3.05Å; E450-R453 IonicContact OE2-NH1 3.88Å; E450-Q454 WeakPolarHBondContact O-CG 3.49Å; E450-Q454 PolarHBondContact O-N 3.21Å; E450-Q454 PolarHBondContact OE1-NE2 3.18Å
451	F	81	Confident	71.4	Confident	3 Å²	3	66 Å²	66	1%	0.013	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-50.1	173.5	-168.7	-84.8	0	0	0	111.5	F316 F360 L362 I369 M447 I448 R453 Q454 E455 L458	F316-F451 HydrophobicContact CZ-CB 4.39Å; F316-F451 HydrophobicContact CZ-CD2 4.22Å; F360-F451 HydrophobicContact CB-CE1 4.48Å; F360-F451 HydrophobicContact CB-CE2 4.18Å; F360-F451 HydrophobicContact CB-CZ 3.78Å; F360-F451 HydrophobicContact CD1-CE2 4.02Å; F360-F451 AromaticContact CD1-CZ 3.48Å; F360-F451 HydrophobicContact CD1-CZ 3.48Å; F360-F451 VanDerWaalsContact CD1-CZ 3.48Å; F360-F451 AromaticContact CD2-CE1 3.58Å; F360-F451 HydrophobicContact CD2-CE1 3.58Å; F360-F451 HydrophobicContact CD2-CE2 4.43Å; F360-F451 AromaticContact CD2-CZ 3.31Å; F360-F451 HydrophobicContact CD2-CZ 3.31Å; F360-F451 HydrophobicContact CE1-CE2 4.3Å; F360-F451 AromaticContact CE1-CZ 3.59Å; F360-F451 HydrophobicContact CE1-CZ 3.59Å; F360-F451 AromaticContact CE2-CE1 3.58Å; F360-F451 HydrophobicContact CE2-CE1 3.58Å; F360-F451 AromaticContact CE2-CZ 3.39Å; F360-F451 HydrophobicContact CE2-CZ 3.39Å; F360-F451 HydrophobicContact CG-CE1 4.01Å; F360-F451 HydrophobicContact CG-CE2 4.01Å; F360-F451 AromaticContact CG-CZ 3.26Å; F360-F451 HydrophobicContact CG-CZ 3.26Å; F360-F451 HydrophobicContact CZ-CE1 4.02Å; F360-F451 AromaticContact CZ-CZ 3.44Å; F360-F451 HydrophobicContact CZ-CZ 3.44Å; F360-F451 VanDerWaalsContact CZ-CZ 3.44Å; L362-F451 HydrophobicContact CD1-CD2 4.26Å; L362-F451 HydrophobicContact CD1-CE2 4.21Å; I369-F451 HydrophobicContact CD1-CB 4.15Å; I369-F451 HydrophobicContact CD1-CD1 3.28Å; I369-F451 HydrophobicContact CD1-CD2 4.27Å; I369-F451 HydrophobicContact CD1-CE1 3.74Å; I369-F451 HydrophobicContact CD1-CG 3.61Å; I369-F451 HydrophobicContact CD1-CZ 4.4Å; M447-F451 VanDerWaalsContact O-CB 3.31Å; M447-F451 WeakPolarHBondContact O-CB 3.5Å; M447-F451 PolarHBondContact O-N 2.76Å; I448-F451 WeakPolarHBondContact O-CB 3.34Å; I448-F451 PolarHBondContact O-N 3.45Å; F451-R453 PolarHBondContact O-N 3.06Å; F451-Q454 CarbonylContact O-C 3.51Å; F451-Q454 PolarHBondContact O-N 3.25Å; F451-E455 HydrophobicContact CE1-CG 4.48Å; F451-E455 PolarHBondContact O-N 3.48Å; F451-L458 HydrophobicContact CD2-CD1 4.37Å; F451-L458 HydrophobicContact CE2-CD1 3.84Å; F451-L458 HydrophobicContact CZ-CD1 4.09Å
452	E	80.9	Confident	70.9	Confident	42 Å²	42	65.2 Å²	65.2	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-32.5	176.2	-73.4	175.6	159	0	0	112.6	K404 I448	K404-E452 WeakPolarHBondContact CD-OE1 3.38Å; K404-E452 WeakPolarHBondContact CE-OE1 3.25Å; K404-E452 IonicContact NZ-OE1 3.11Å; K404-E452 PolarHBondContact NZ-OE1 3.15Å; K404-E452 IonicContact NZ-OE2 3.98Å; K404-E452 PolarHBondContact NZ-OE2 2.85Å; I448-E452 HydrophobicContact CG2-CG 4.48Å; I448-E452 WeakPolarHBondContact O-CG 3.39Å; I448-E452 PolarHBondContact O-N 3Å
453	R	78.6	Confident	70.2	Confident	161 Å²	161	62 Å²	62	61%	0.608	32%	0.319	S	S	*	.	H	α-helix	trans	-72.5	-36.1	174.6	-74.7	172.4	176.9	178	-1.3	112.9	T449 E450 F451 P456	T449-R453 WeakPolarHBondContact O-CG 3.42Å; T449-R453 PolarHBondContact O-N 3.11Å; T449-R453 VanDerWaalsContact O-N 3.15Å; E450-R453 WeakPolarHBondContact O-CB 3.33Å; E450-R453 PolarHBondContact O-N 3.05Å; E450-R453 IonicContact OE2-NH1 3.88Å; F451-R453 PolarHBondContact O-N 3.06Å; R453-P456 WeakPolarHBondContact O-CD 3.37Å
454	Q	73.7	Confident	69.5	Low	32 Å²	32	60.1 Å²	60.1	15%	0.15	31%	0.312	C	S	.	.	H	α-helix	trans	-87.7	-15.5	-178.8	-66.9	-166.1	20.7	0	0	113.3	H315 E450 F451 P456 K457 L458	H315-Q454 PolarHBondContact O-NE2 3.03Å; H315-Q454 PolarHBondContact O-OE1 3.38Å; E450-Q454 WeakPolarHBondContact O-CG 3.49Å; E450-Q454 PolarHBondContact O-N 3.21Å; E450-Q454 PolarHBondContact OE1-NE2 3.18Å; F451-Q454 CarbonylContact O-C 3.51Å; F451-Q454 PolarHBondContact O-N 3.25Å; Q454-P456 VanDerWaalsContact C-N 3.3Å; Q454-P456 VanDerWaalsContact O-N 3.13Å; Q454-K457 WeakPolarHBondContact O-CA 3.19Å; Q454-K457 WeakPolarHBondContact O-CB 3.49Å; Q454-K457 PolarHBondContact O-N 2.69Å; Q454-L458 HydrophobicContact CB-CD1 4.07Å; Q454-L458 HydrophobicContact CB-CG 4.38Å; Q454-L458 PolarHBondContact O-N 3.23Å
455	E	68	Low	68.6	Low	35 Å²	35	63.5 Å²	63.5	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-46.1	-44.7	-178.6	-158.3	-159.2	155.7	0	0	113.6	R358 H406 F451 K457 L458 S459	R358-E455 IonicContact NH1-OE1 2.8Å; H406-E455 IonicContact CE1-OE1 3.56Å; H406-E455 IonicContact CE1-OE2 2.69Å; H406-E455 PolarHBondContact CE1-OE2 3.15Å; H406-E455 IonicContact ND1-OE2 2.85Å; F451-E455 HydrophobicContact CE1-CG 4.48Å; F451-E455 PolarHBondContact O-N 3.48Å; E455-K457 PolarHBondContact O-N 3.03Å; E455-L458 PolarHBondContact O-N 2.94Å; E455-S459 WeakPolarHBondContact O-CB 3.32Å; E455-S459 PolarHBondContact O-N 2.96Å; E455-S459 PolarHBondContact O-OG 3.2Å; E455-S459 VanDerWaalsContact O-OG 3.07Å
456	P	57.3	Low	67.5	Low	95 Å²	95	63.6 Å²	63.6	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-64.4	-25.5	178.7	-20.2	33.3	0	0	0	114	R453 Q454 S459	R453-P456 WeakPolarHBondContact O-CD 3.37Å; Q454-P456 VanDerWaalsContact C-N 3.3Å; Q454-P456 VanDerWaalsContact O-N 3.13Å; P456-S459 PolarHBondContact O-OG 3.03Å
457	K	54.8	Low	66.4	Low	172 Å²	172	61.7 Å²	61.7	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-86.6	-30.9	177.2	-62.5	-176.6	179.3	-179.3	0	111.9	Q454 E455	Q454-K457 WeakPolarHBondContact O-CA 3.19Å; Q454-K457 WeakPolarHBondContact O-CB 3.49Å; Q454-K457 PolarHBondContact O-N 2.69Å; E455-K457 PolarHBondContact O-N 3.03Å
458	L	51.6	Low	65.1	Low	18 Å²	18	65.6 Å²	65.6	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-76.5	-32.3	176.2	-65.9	169.9	0	0	0	111.2	F312 V314 F451 Q454 E455 G460	F312-L458 HydrophobicContact CE2-CD2 3.94Å; V314-L458 HydrophobicContact CG2-CD2 4.34Å; F451-L458 HydrophobicContact CD2-CD1 4.37Å; F451-L458 HydrophobicContact CE2-CD1 3.84Å; F451-L458 HydrophobicContact CZ-CD1 4.09Å; Q454-L458 HydrophobicContact CB-CD1 4.07Å; Q454-L458 HydrophobicContact CB-CG 4.38Å; Q454-L458 PolarHBondContact O-N 3.23Å; E455-L458 PolarHBondContact O-N 2.94Å; L458-G460 PolarHBondContact O-N 3.35Å; L458-G460 VanDerWaalsContact O-N 3.09Å
459	S	44.1	Very low	63.4	Low	63 Å²	63	70.7 Å²	70.7	44%	0.441	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	82	171	63.4	0	0	0	0	111.4	E455 P456	E455-S459 WeakPolarHBondContact O-CB 3.32Å; E455-S459 PolarHBondContact O-N 2.96Å; E455-S459 PolarHBondContact O-OG 3.2Å; E455-S459 VanDerWaalsContact O-OG 3.07Å; P456-S459 PolarHBondContact O-OG 3.03Å
460	G	34.4	Very low	61.5	Low	50 Å²	50	72.1 Å²	72.1	52%	0.515	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	157.3	-6.5	-179.1	0	0	0	0	0	115.6	L458	L458-G460 PolarHBondContact O-N 3.35Å; L458-G460 VanDerWaalsContact O-N 3.09Å
461	L	30.5	Very low	59.5	Low	181 Å²	181	77.5 Å²	77.5	95%	0.948	41%	0.408	S	S	*	.			trans	-78.2	0	151.1	-65.8	166.9	0	0	0	108.5

Retrieved 461 of 461 residues in 1428.7 ms (Link to these results)

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