A0A077Z3D5_TRITR Loading...

Nicotinic acetylcholine receptor alpha subunit

AlphaFold DB , UniProt , Accession A0A077Z3D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 496 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	40	Very low	39	Very low	231 Å²	231	180.3 Å²	180.3	100%	1.138	83%	0.834	S	S	*	*				0	112.2	0	178.6	-169.4	-73.6	0	0	107.6
2	F	36.9	Very low	39.2	Very low	199 Å²	199	177.9 Å²	177.9	87%	0.873	83%	0.832	S	S	*	*			cis	-157.8	144.5	-13.6	-121.6	-88	0	0	0	105.8
3	R	32.8	Very low	39.1	Very low	228 Å²	228	181.8 Å²	181.8	86%	0.86	84%	0.835	S	S	*	*			trans	-42.3	146.5	174.2	-76.5	166.3	164.3	-177.2	-4.6	113.8
4	F	41	Very low	39.7	Very low	190 Å²	190	182.9 Å²	182.9	83%	0.833	84%	0.837	S	S	*	*			trans	172.6	115.8	143.8	-100.2	-73.2	0	0	0	105.5
5	F	47	Very low	40.2	Very low	194 Å²	194	176.5 Å²	176.5	85%	0.851	83%	0.829	S	S	*	*				-163.4	135.7	64.8	-110.8	-93.6	0	0	0	110.1
6	L	38.1	Very low	40.5	Very low	145 Å²	145	173.1 Å²	173.1	76%	0.759	82%	0.818	S	S	*	*			trans	-83.1	157.9	164.1	-90	163.7	0	0	0	110.2
7	E	38.1	Very low	41.1	Very low	170 Å²	170	168.9 Å²	168.9	79%	0.794	81%	0.81	S	S	*	*			trans	73.5	105.7	153.2	-73.3	170.3	179.5	0	0	119.4
8	K	40.2	Very low	41.7	Very low	196 Å²	196	166.6 Å²	166.6	85%	0.852	81%	0.808	S	S	*	*				-144.1	132.4	112.4	-76.5	-153.3	176.5	-179.2	0	110.6
9	P	40.8	Very low	42.2	Very low	102 Å²	102	166.3 Å²	166.3	66%	0.662	81%	0.805	S	S	*	*			trans	-81.7	-160.1	167.6	34.9	-29.6	0	0	0	109.2
10	W	38.5	Very low	42.7	Very low	231 Å²	231	163 Å²	163	88%	0.875	80%	0.798	S	S	*	*			trans	98.8	97.3	179.6	-51.2	97.5	0	0	0	115.4
11	S	35.6	Very low	43.4	Very low	97 Å²	97	158.6 Å²	158.6	68%	0.678	78%	0.784	S	S	*	*				61.3	95.2	129.8	-178.6	0	0	0	0	117.9
12	N	41.2	Very low	44.4	Very low	152 Å²	152	155.8 Å²	155.8	81%	0.813	76%	0.76	S	S	*	*			trans	173.5	89.7	131.6	-86.3	-16.7	0	0	0	109.8
13	R	38.6	Very low	45.9	Very low	228 Å²	228	151.9 Å²	151.9	86%	0.86	75%	0.749	S	S	*	*			trans	-103.6	33.2	-175.4	-143.7	-173	-78.1	-155.4	-0.4	113.2
14	F	47.4	Very low	48.3	Very low	198 Å²	198	145.3 Å²	145.3	87%	0.868	73%	0.731	S	S	*	*			trans	-130.6	8.7	-176.4	-83.2	-78.8	0	0	0	115.5
15	A	46.6	Very low	50.6	Low	86 Å²	86	137.8 Å²	137.8	71%	0.711	70%	0.699	S	S	*	*	S	Bend	trans	-90.5	-2.6	174.6	0	0	0	0	0	114.2
16	D	45.9	Very low	52.5	Low	122 Å²	122	129.7 Å²	129.7	65%	0.652	67%	0.668	S	S	*	*			trans	-91.5	-2.9	-168.5	-66.6	-33.2	0	0	0	115.8
17	C	49.8	Very low	54.9	Low	103 Å²	103	129.8 Å²	129.8	70%	0.696	66%	0.658	S	S	*	*	H	α-helix	trans	-80.9	-25.8	-174.1	-78.7	0	0	0	0	115.4	H19	C17-H19 VanDerWaalsContact C-N 3.32Å; C17-H19 PolarHBondContact O-N 3.03Å
18	V	53.1	Low	57.4	Low	127 Å²	127	126.6 Å²	126.6	77%	0.77	64%	0.639	S	S	*	*	H	α-helix	trans	-73.1	-28.6	-178.7	180	0	0	0	0	111.4
19	H	50.2	Low	59.9	Low	161 Å²	161	117.2 Å²	117.2	75%	0.745	60%	0.598	S	S	*	*	H	α-helix	trans	-74.4	-29.5	-177.7	-129.9	53.1	0	0	0	113.4	C17	C17-H19 VanDerWaalsContact C-N 3.32Å; C17-H19 PolarHBondContact O-N 3.03Å
20	C	52.4	Low	62.3	Low	100 Å²	100	115.4 Å²	115.4	68%	0.676	58%	0.58	S	S	*	*	H	α-helix	trans	-73.2	-32.2	177	-106.5	0	0	0	0	113.6	N23 N24	C20-N23 PolarHBondContact O-N 2.85Å; C20-N24 PolarHBondContact O-N 3.14Å
21	S	58.2	Low	64.8	Low	70 Å²	70	109.3 Å²	109.3	49%	0.49	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-41	-178.1	-175	0	0	0	0	112.5	N23 N24 N25	S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 3.35Å; S21-N24 PolarHBondContact O-N 3.3Å; S21-N24 VanDerWaalsContact O-N 3.12Å; S21-N25 PolarHBondContact O-N 2.99Å
22	R	59.2	Low	67.4	Low	172 Å²	172	108.4 Å²	108.4	65%	0.649	55%	0.549	S	S	*	.	H	α-helix	trans	-61.6	-35.1	179.8	-140.8	175.1	87.6	171.5	7.4	112.2	A26	R22-A26 PolarHBondContact O-N 3.28Å; R22-A26 VanDerWaalsContact O-N 3.15Å
23	N	69.8	Low	69.7	Low	118 Å²	118	102.3 Å²	102.3	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-70.2	-35.7	177.8	-160.7	11.8	0	0	0	112.2	C20 S21 R27	C20-N23 PolarHBondContact O-N 2.85Å; S21-N23 VanDerWaalsContact C-N 3.25Å; S21-N23 PolarHBondContact O-N 3.35Å; N23-R27 WeakPolarHBondContact O-CB 3.36Å; N23-R27 PolarHBondContact O-N 3.02Å; N23-R27 VanDerWaalsContact O-N 3.08Å
24	N	83.6	Confident	72.2	Confident	89 Å²	89	93.3 Å²	93.3	48%	0.476	49%	0.485	S	S	.	.	H	α-helix	trans	-69.8	-38.2	177.7	-161.2	31	0	0	0	112.1	C20 S21 R27 R28	C20-N24 PolarHBondContact O-N 3.14Å; S21-N24 PolarHBondContact O-N 3.3Å; S21-N24 VanDerWaalsContact O-N 3.12Å; N24-R27 PolarHBondContact O-N 2.97Å; N24-R27 PolarHBondContact OD1-NH2 3.42Å; N24-R28 PolarHBondContact O-N 3.31Å
25	N	87.6	Confident	74.1	Confident	33 Å²	33	89.4 Å²	89.4	18%	0.176	48%	0.477	C	S	.	.	H	α-helix	trans	-66.6	-41.1	175.5	-70.1	-24.6	0	0	0	112.4	S21 R27 R28 L29 Y94	S21-N25 PolarHBondContact O-N 2.99Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 2.97Å; N25-R28 PolarHBondContact O-N 3.15Å; N25-L29 WeakPolarHBondContact O-CB 3.48Å; N25-L29 PolarHBondContact O-N 3.45Å; N25-Y94 WeakPolarHBondContact CB-O 3.38Å
26	A	87.4	Confident	76	Confident	23 Å²	23	89.2 Å²	89.2	19%	0.19	48%	0.484	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.5	0	0	0	0	0	112.1	R22 L29 F30 L97	R22-A26 PolarHBondContact O-N 3.28Å; R22-A26 VanDerWaalsContact O-N 3.15Å; A26-L29 PolarHBondContact O-N 2.74Å; A26-F30 WeakPolarHBondContact O-CB 3.4Å; A26-F30 PolarHBondContact O-N 2.74Å; A26-L97 HydrophobicContact CB-CD2 3.84Å
27	R	88.5	Confident	78.3	Confident	147 Å²	147	85.1 Å²	85.1	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-62.6	-43	174.6	-174.5	177.8	66.6	126.5	1.8	112.2	N23 N24 N25 F30 Q31	N23-R27 WeakPolarHBondContact O-CB 3.36Å; N23-R27 PolarHBondContact O-N 3.02Å; N23-R27 VanDerWaalsContact O-N 3.08Å; N24-R27 PolarHBondContact O-N 2.97Å; N24-R27 PolarHBondContact OD1-NH2 3.42Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 2.97Å; R27-F30 PolarHBondContact O-N 2.98Å; R27-Q31 WeakPolarHBondContact O-CG 3.35Å; R27-Q31 PolarHBondContact O-N 3.34Å; R27-Q31 VanDerWaalsContact O-N 3.16Å
28	R	91.4	Very high	80.3	Confident	103 Å²	103	84 Å²	84	39%	0.389	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-50.3	176.9	-163.1	-174.4	79	-158.7	-2.3	110.9	N24 N25 F30 Q31 D32 E93 Y94	N24-R28 PolarHBondContact O-N 3.31Å; N25-R28 PolarHBondContact O-N 3.15Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 2.98Å; R28-Q31 PolarHBondContact O-N 3.4Å; R28-Q31 VanDerWaalsContact O-N 3.14Å; R28-D32 IonicContact NE-OD2 3.83Å; R28-D32 VanDerWaalsContact O-CG 3.24Å; R28-D32 PolarHBondContact O-N 3.43Å; R28-E93 PolarHBondContact NH2-O 3.24Å; R28-Y94 VanDerWaalsContact NH2-CD1 3.3Å
29	L	91.9	Very high	82.2	Confident	0 Å²	0	83 Å²	83	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-55.6	-46	177.3	-177.9	65.5	0	0	0	112.1	N25 A26 Q31 D32 I33 W89 Y94 L97 L100	N25-L29 WeakPolarHBondContact O-CB 3.48Å; N25-L29 PolarHBondContact O-N 3.45Å; A26-L29 PolarHBondContact O-N 2.74Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.93Å; L29-D32 PolarHBondContact O-N 2.88Å; L29-I33 HydrophobicContact CD1-CD1 3.48Å; L29-I33 VanDerWaalsContact CD1-CD1 3.48Å; L29-I33 HydrophobicContact CD1-CG1 3.88Å; L29-I33 HydrophobicContact CD2-CD1 4.34Å; L29-I33 HydrophobicContact CG-CD1 3.76Å; L29-I33 HydrophobicContact CG-CG1 4.34Å; L29-I33 WeakPolarHBondContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.06Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-W89 HydrophobicContact CD1-CB 3.84Å; L29-W89 HydrophobicContact CD1-CD2 3.99Å; L29-W89 HydrophobicContact CD1-CG 3.63Å; L29-W89 HydrophobicContact CD2-CD2 3.9Å; L29-W89 HydrophobicContact CD2-CG 4.18Å; L29-W89 HydrophobicContact CD2-CZ2 3.89Å; L29-Y94 HydrophobicContact CB-CD1 3.6Å; L29-Y94 HydrophobicContact CB-CE1 3.89Å; L29-Y94 HydrophobicContact CB-CG 4.14Å; L29-Y94 HydrophobicContact CD1-CD1 3.78Å; L29-Y94 HydrophobicContact CD1-CD2 3.74Å; L29-Y94 HydrophobicContact CD1-CE1 3.65Å; L29-Y94 HydrophobicContact CD1-CE2 3.64Å; L29-Y94 HydrophobicContact CD1-CG 3.81Å; L29-Y94 HydrophobicContact CG-CD1 4.26Å; L29-Y94 HydrophobicContact CG-CE1 4.41Å; L29-Y94 HydrophobicContact CG-CG 4.43Å; L29-L97 HydrophobicContact CB-CD2 4.44Å; L29-L97 HydrophobicContact CD2-CD2 3.55Å; L29-L97 HydrophobicContact CD2-CG 4.26Å; L29-L100 HydrophobicContact CD2-CB 4.32Å; L29-L100 HydrophobicContact CD2-CD1 4.45Å; L29-L100 HydrophobicContact CD2-CD2 4.06Å; L29-L100 HydrophobicContact CG-CD2 4.19Å
30	F	91.3	Very high	84.2	Confident	63 Å²	63	81.8 Å²	81.8	28%	0.276	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-41.1	179.7	-175.8	-89.3	0	0	0	112.1	A26 R27 R28 L34 L100 V102 Q106	A26-F30 WeakPolarHBondContact O-CB 3.4Å; A26-F30 PolarHBondContact O-N 2.74Å; R27-F30 PolarHBondContact O-N 2.98Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 2.98Å; F30-L34 HydrophobicContact CD1-CD1 3.91Å; F30-L34 HydrophobicContact CD2-CD1 4.06Å; F30-L34 HydrophobicContact CE1-CD1 3.45Å; F30-L34 VanDerWaalsContact CE1-CD1 3.45Å; F30-L34 HydrophobicContact CE2-CD1 3.63Å; F30-L34 HydrophobicContact CG-CD1 4.2Å; F30-L34 HydrophobicContact CZ-CD1 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 WeakPolarHBondContact O-CG 3.36Å; F30-L34 PolarHBondContact O-N 3.38Å; F30-L100 HydrophobicContact CB-CD2 4.44Å; F30-L100 HydrophobicContact CD2-CD2 4.29Å; F30-V102 HydrophobicContact CD2-CG2 4.31Å; F30-V102 HydrophobicContact CE2-CG1 4.06Å; F30-V102 HydrophobicContact CE2-CG2 4.29Å; F30-Q106 VanDerWaalsContact CZ-OE1 3.29Å
31	Q	90.9	Very high	86	Confident	104 Å²	104	82.3 Å²	82.3	49%	0.486	43%	0.426	S	S	.	.	H	α-helix	trans	-69.2	-45.8	176	-71	178.5	-23.9	0	0	111.6	R27 R28 L29 I33 L34 T35	R27-Q31 WeakPolarHBondContact O-CG 3.35Å; R27-Q31 PolarHBondContact O-N 3.34Å; R27-Q31 VanDerWaalsContact O-N 3.16Å; R28-Q31 PolarHBondContact O-N 3.4Å; R28-Q31 VanDerWaalsContact O-N 3.14Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.93Å; Q31-I33 PolarHBondContact O-N 3.3Å; Q31-L34 PolarHBondContact O-N 2.99Å; Q31-T35 WeakPolarHBondContact O-CB 3.47Å; Q31-T35 PolarHBondContact O-N 3.41Å; Q31-T35 PolarHBondContact O-OG1 3.08Å
32	D	90.9	Very high	87.7	Confident	78 Å²	78	81.2 Å²	81.2	42%	0.417	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-42.9	-176.7	-66.2	-18.6	0	0	0	111.7	R28 L29 Y94	R28-D32 IonicContact NE-OD2 3.83Å; R28-D32 VanDerWaalsContact O-CG 3.24Å; R28-D32 PolarHBondContact O-N 3.43Å; L29-D32 PolarHBondContact O-N 2.88Å; D32-Y94 WeakPolarHBondContact OD2-CE1 3.35Å; D32-Y94 PolarHBondContact OD2-OH 2.99Å
33	I	89.6	Confident	89.4	Confident	24 Å²	24	73.3 Å²	73.3	12%	0.123	38%	0.382	C	S	.	.	H	α-helix	trans	-71.8	-40.2	-179	-71.5	-178.4	0	0	0	112.4	L29 Q31 L87 W89	L29-I33 HydrophobicContact CD1-CD1 3.48Å; L29-I33 VanDerWaalsContact CD1-CD1 3.48Å; L29-I33 HydrophobicContact CD1-CG1 3.88Å; L29-I33 HydrophobicContact CD2-CD1 4.34Å; L29-I33 HydrophobicContact CG-CD1 3.76Å; L29-I33 HydrophobicContact CG-CG1 4.34Å; L29-I33 WeakPolarHBondContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.06Å; L29-I33 PolarHBondContact O-N 3.43Å; Q31-I33 PolarHBondContact O-N 3.3Å; I33-L87 HydrophobicContact CG2-CD2 3.3Å; I33-W89 HydrophobicContact CD1-CB 4.49Å; I33-W89 HydrophobicContact CD1-CD2 4Å; I33-W89 HydrophobicContact CD1-CE3 3.39Å; I33-W89 HydrophobicContact CD1-CG 4.49Å; I33-W89 HydrophobicContact CD1-CZ3 3.88Å
34	L	90	Very high	90.5	Very high	39 Å²	39	69.2 Å²	69.2	20%	0.204	36%	0.361	C	S	.	.	H	α-helix	trans	-83.1	-16.9	-175.7	-67.7	178.2	0	0	0	113.2	F30 Q31 G36 Y37 L107	F30-L34 HydrophobicContact CD1-CD1 3.91Å; F30-L34 HydrophobicContact CD2-CD1 4.06Å; F30-L34 HydrophobicContact CE1-CD1 3.45Å; F30-L34 VanDerWaalsContact CE1-CD1 3.45Å; F30-L34 HydrophobicContact CE2-CD1 3.63Å; F30-L34 HydrophobicContact CG-CD1 4.2Å; F30-L34 HydrophobicContact CZ-CD1 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 WeakPolarHBondContact O-CG 3.36Å; F30-L34 PolarHBondContact O-N 3.38Å; Q31-L34 PolarHBondContact O-N 2.99Å; L34-G36 PolarHBondContact O-N 2.76Å; L34-Y37 PolarHBondContact O-N 2.99Å; L34-L107 HydrophobicContact CD2-CD2 4.31Å
35	T	88.7	Confident	90.7	Very high	116 Å²	116	72.5 Å²	72.5	71%	0.712	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	99.3	177.2	-58.9	0	0	0	0	109.9	Q31	Q31-T35 WeakPolarHBondContact O-CB 3.47Å; Q31-T35 PolarHBondContact O-N 3.41Å; Q31-T35 PolarHBondContact O-OG1 3.08Å
36	G	86.6	Confident	90.9	Very high	82 Å²	82	74.8 Å²	74.8	85%	0.845	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-2.6	-178.7	0	0	0	0	0	114.7	L34 N38	L34-G36 PolarHBondContact O-N 2.76Å; G36-N38 PolarHBondContact O-N 2.9Å
37	Y	93.7	Very high	91	Very high	35 Å²	35	79.5 Å²	79.5	14%	0.137	41%	0.412	C	S	.	.			trans	-72.2	121.4	175	-175.4	-93.3	0	0	0	110.9	L34 K39 D84 N86 L87 L107 W108	L34-Y37 PolarHBondContact O-N 2.99Å; Y37-K39 HydrophobicContact CD1-CB 4.46Å; Y37-K39 HydrophobicContact CE1-CB 4.07Å; Y37-D84 WeakPolarHBondContact CE2-OD2 3.39Å; Y37-D84 PolarHBondContact OH-OD2 2.95Å; Y37-N86 HydrophobicContact CD2-CB 3.98Å; Y37-N86 HydrophobicContact CE2-CB 4.01Å; Y37-L87 HydrophobicContact CD2-CD2 3.83Å; Y37-L87 HydrophobicContact CE2-CD1 4.42Å; Y37-L87 HydrophobicContact CE2-CD2 3.69Å; Y37-L87 HydrophobicContact CE2-CG 3.96Å; Y37-L107 HydrophobicContact CE1-CD2 4.3Å; Y37-W108 WeakPolarHBondContact OH-CB 3.37Å; Y37-W108 PolarHBondContact OH-N 3.29Å
38	N	92.3	Very high	91.1	Very high	81 Å²	81	76.8 Å²	76.8	43%	0.433	42%	0.416	S	S	.	.			trans	-101.7	103.3	175.9	-173.2	-11.1	0	0	0	110.8	G36 L40 L41	G36-N38 PolarHBondContact O-N 2.9Å; N38-L40 PolarHBondContact O-N 3.36Å; N38-L40 VanDerWaalsContact O-N 3.09Å; N38-L40 WeakPolarHBondContact OD1-CB 3.38Å; N38-L40 PolarHBondContact OD1-N 3.33Å; N38-L40 VanDerWaalsContact OD1-N 3.07Å; N38-L41 HydrophobicContact CB-CD1 4.04Å; N38-L41 HydrophobicContact CB-CG 4.24Å; N38-L41 PolarHBondContact O-N 3.44Å
39	K	91.7	Very high	91.2	Very high	104 Å²	104	76.6 Å²	76.6	45%	0.452	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.2	-179	70.1	-179.9	-172.3	179.3	0	115.8	Y37 D105 W108	Y37-K39 HydrophobicContact CD1-CB 4.46Å; Y37-K39 HydrophobicContact CE1-CB 4.07Å; K39-D105 WeakPolarHBondContact CD-O 3.5Å; K39-D105 PolarHBondContact NZ-O 2.9Å; K39-W108 WeakPolarHBondContact O-CA 3.42Å
40	L	91.6	Very high	91.2	Very high	136 Å²	136	78.4 Å²	78.4	71%	0.712	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.5	179.8	-59.6	178.2	0	0	0	112.9	N38	N38-L40 PolarHBondContact O-N 3.36Å; N38-L40 VanDerWaalsContact O-N 3.09Å; N38-L40 WeakPolarHBondContact OD1-CB 3.38Å; N38-L40 PolarHBondContact OD1-N 3.33Å; N38-L40 VanDerWaalsContact OD1-N 3.07Å
41	L	92.2	Very high	91.4	Very high	112 Å²	112	75.7 Å²	75.7	59%	0.586	42%	0.423	S	S	*	.	S	Bend	trans	-98.6	138.4	-177.3	-61.4	178.4	0	0	0	110.7	N38	N38-L41 HydrophobicContact CB-CD1 4.04Å; N38-L41 HydrophobicContact CB-CG 4.24Å; N38-L41 PolarHBondContact O-N 3.44Å
42	R	93.6	Very high	91.6	Very high	46 Å²	46	74 Å²	74	17%	0.174	42%	0.42	C	S	.	.			trans	-62.2	136	174.1	-68.8	-165.9	-76.8	124.6	2.2	110	V44 E49 V51 W108 Y173 E177	R42-V44 HydrophobicContact CB-CG2 4.41Å; R42-V44 PolarHBondContact O-N 3.38Å; R42-E49 PolarHBondContact NH1-O 2.93Å; R42-V51 HydrophobicContact CB-CG2 4.22Å; R42-W108 HydrophobicContact CG-CZ2 3.96Å; R42-Y173 HydrophobicContact CG-CD1 4.32Å; R42-Y173 HydrophobicContact CG-CE1 3.65Å; R42-E177 IonicContact CZ-OE1 3.76Å; R42-E177 VanDerWaalsContact CZ-OE1 3.3Å; R42-E177 IonicContact NE-OE1 3.89Å; R42-E177 PolarHBondContact NE-OE1 3Å; R42-E177 VanDerWaalsContact NH1-CA 3.34Å; R42-E177 PolarHBondContact NH1-O 2.87Å; R42-E177 IonicContact NH2-OE1 2.8Å; R42-E177 PolarHBondContact NH2-OE1 3.16Å
43	P	93.8	Very high	91.9	Very high	7 Å²	7	70.2 Å²	70.2	5%	0.045	40%	0.4	C	S	.	.			trans	-83.3	64.5	-175.3	35.8	-40.3	0	0	0	112.3	V51 D84 W108	P43-V51 HydrophobicContact CG-CG2 4.3Å; P43-D84 HydrophobicContact CB-CB 3.85Å; P43-D84 VanDerWaalsContact CB-OD1 3.22Å; P43-D84 WeakPolarHBondContact CB-OD1 3.32Å; P43-D84 WeakPolarHBondContact CB-OD2 3.45Å; P43-D84 HydrophobicContact CG-CB 4.27Å; P43-W108 VanDerWaalsContact CD-CE3 3.45Å; P43-W108 HydrophobicContact CG-CD2 4.12Å; P43-W108 HydrophobicContact CG-CE3 3.69Å; P43-W108 HydrophobicContact CG-CZ3 4.03Å
44	V	92.7	Very high	92.2	Very high	32 Å²	32	73.3 Å²	73.3	19%	0.194	41%	0.412	C	S	.	.			trans	-115.2	147.2	178.5	-64.4	0	0	0	0	110.5	R42 N46 E49 V51	R42-V44 HydrophobicContact CB-CG2 4.41Å; R42-V44 PolarHBondContact O-N 3.38Å; V44-N46 WeakPolarHBondContact CB-O 3.35Å; V44-N46 VanDerWaalsContact CG2-O 3.29Å; V44-N46 WeakPolarHBondContact CG2-O 3.32Å; V44-E49 HydrophobicContact CG1-CB 4.46Å; V44-V51 HydrophobicContact CG1-CG2 3.44Å; V44-V51 VanDerWaalsContact CG1-CG2 3.44Å
45	Q	89.3	Confident	92.4	Very high	158 Å²	158	71.6 Å²	71.6	74%	0.738	40%	0.403	S	S	*	.	S	Bend	trans	-74.2	-38.2	173.9	-67.4	-173.3	-8.3	0	0	111.2	C85	Q45-C85 HydrophobicContact CG-CB 4.02Å
46	N	91.8	Very high	92.7	Very high	81 Å²	81	67.7 Å²	67.7	43%	0.433	38%	0.377	S	S	.	.	S	Bend	trans	-121.5	136.6	179	-167.8	1.3	0	0	0	109.8	V44 S48 E49	V44-N46 WeakPolarHBondContact CB-O 3.35Å; V44-N46 VanDerWaalsContact CG2-O 3.29Å; V44-N46 WeakPolarHBondContact CG2-O 3.32Å; N46-S48 PolarHBondContact ND2-OG 3.11Å; N46-S48 PolarHBondContact O-N 2.92Å; N46-S48 VanDerWaalsContact O-N 3.13Å; N46-E49 HydrophobicContact CB-CG 4.24Å; N46-E49 PolarHBondContact O-N 2.77Å; N46-E49 VanDerWaalsContact O-N 3.08Å
47	T	88.5	Confident	93.1	Very high	121 Å²	121	63.9 Å²	63.9	74%	0.742	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.5	-175.2	51.1	0	0	0	0	113.5	E49	T47-E49 VanDerWaalsContact C-N 3.32Å
48	S	90.2	Very high	93.2	Very high	91 Å²	91	65.7 Å²	65.7	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-9	177	59.9	0	0	0	0	114.2	N46	N46-S48 PolarHBondContact ND2-OG 3.11Å; N46-S48 PolarHBondContact O-N 2.92Å; N46-S48 VanDerWaalsContact O-N 3.13Å
49	E	93.1	Very high	93.3	Very high	98 Å²	98	61.9 Å²	61.9	46%	0.458	32%	0.323	S	S	.	.	S	Bend	trans	-88.5	144	-179.2	-67.8	175.8	179.8	0	0	111.3	R42 V44 N46 T47	R42-E49 PolarHBondContact NH1-O 2.93Å; V44-E49 HydrophobicContact CG1-CB 4.46Å; N46-E49 HydrophobicContact CB-CG 4.24Å; N46-E49 PolarHBondContact O-N 2.77Å; N46-E49 VanDerWaalsContact O-N 3.08Å; T47-E49 VanDerWaalsContact C-N 3.32Å
50	A	93.3	Very high	93.4	Very high	39 Å²	39	57.9 Å²	57.9	32%	0.322	31%	0.308	S	S	.	.			trans	-85.2	142.3	171.6	0	0	0	0	0	110	T52 F176 E177 D179	A50-T52 PolarHBondContact O-N 3.44Å; A50-F176 WeakPolarHBondContact CA-O 3.41Å; A50-F176 WeakPolarHBondContact CB-O 3.48Å; A50-E177 WeakPolarHBondContact CA-O 3.14Å; A50-D179 HydrophobicContact CB-CB 4.29Å
51	V	95.2	Very high	93.6	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.4	168.2	-177.2	0	0	0	0	108	R42 P43 V44 V53 W82 W108 E177 V178 D179	R42-V51 HydrophobicContact CB-CG2 4.22Å; P43-V51 HydrophobicContact CG-CG2 4.3Å; V44-V51 HydrophobicContact CG1-CG2 3.44Å; V44-V51 VanDerWaalsContact CG1-CG2 3.44Å; V51-V53 HydrophobicContact CG1-CG2 4.15Å; V51-V53 PolarHBondContact O-N 2.87Å; V51-W82 HydrophobicContact CG1-CB 4.16Å; V51-W108 HydrophobicContact CB-CH2 4.06Å; V51-W108 HydrophobicContact CG1-CH2 3.83Å; V51-W108 HydrophobicContact CG1-CZ3 3.88Å; V51-W108 HydrophobicContact CG2-CH2 4.13Å; V51-E177 PolarHBondContact N-O 3.47Å; V51-V178 WeakPolarHBondContact O-CA 3.4Å; V51-D179 PolarHBondContact O-N 3.47Å
52	T	95.3	Very high	93.7	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.411	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.9	173.4	-53.2	0	0	0	0	110.3	A50 D179 I181	A50-T52 PolarHBondContact O-N 3.44Å; T52-D179 WeakPolarHBondContact CA-O 3.17Å; T52-I181 HydrophobicContact CG2-CD1 3.36Å; T52-I181 HydrophobicContact CG2-CG1 3.65Å; T52-I181 HydrophobicContact CG2-CG2 4.46Å
53	V	96.3	Very high	93.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.8	177.7	-175.7	0	0	0	0	109	V51 V55 W82 P110 V178 D179 L180 I181	V51-V53 HydrophobicContact CG1-CG2 4.15Å; V51-V53 PolarHBondContact O-N 2.87Å; V53-V55 HydrophobicContact CG1-CG2 4.12Å; V53-W82 HydrophobicContact CG2-CB 4.19Å; V53-P110 HydrophobicContact CG1-CG 3.94Å; V53-P110 HydrophobicContact CG2-CB 3.98Å; V53-P110 HydrophobicContact CG2-CG 4.03Å; V53-V178 HydrophobicContact CG2-CG1 3.93Å; V53-D179 PolarHBondContact N-O 2.95Å; V53-L180 HydrophobicContact CB-CD2 3.9Å; V53-L180 HydrophobicContact CG1-CD2 4.42Å; V53-L180 HydrophobicContact CG2-CD2 4.49Å; V53-I181 PolarHBondContact O-N 3.33Å
54	K	96	Very high	93.6	Very high	89 Å²	89	53.7 Å²	53.7	39%	0.387	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.5	172.2	-65.7	177.1	179.1	-170	0	109.7	Q80 I81 I181	K54-Q80 CarbonylContact O-C 3.57Å; K54-Q80 WeakPolarHBondContact O-CA 3.41Å; K54-I81 HydrophobicContact CB-CB 4.17Å; K54-I81 PolarHBondContact N-O 2.92Å; K54-I81 PolarHBondContact O-N 2.95Å; K54-I181 CarbonylContact C-O 3.52Å; K54-I181 VanDerWaalsContact CA-O 3.29Å; K54-I181 WeakPolarHBondContact CA-O 3.46Å; K54-I181 HydrophobicContact CB-CG1 4.42Å; K54-I181 HydrophobicContact CD-CD1 4.38Å; K54-I181 HydrophobicContact CG-CD1 3.58Å; K54-I181 HydrophobicContact CG-CG1 3.7Å
55	V	95.4	Very high	93.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.7	179.3	-174.5	0	0	0	0	110.1	V53 I78 K79 I181 H182 Y183 I240 F242	V53-V55 HydrophobicContact CG1-CG2 4.12Å; V55-I78 HydrophobicContact CG1-CG2 4.14Å; V55-K79 CarbonylContact C-O 3.55Å; V55-K79 WeakPolarHBondContact CA-O 3.47Å; V55-I181 PolarHBondContact N-O 3.4Å; V55-H182 PolarHBondContact O-CD2 2.92Å; V55-Y183 PolarHBondContact O-N 3.42Å; V55-I240 HydrophobicContact CB-CD1 4.01Å; V55-I240 HydrophobicContact CG2-CD1 4.26Å; V55-F242 HydrophobicContact CG1-CE2 4.48Å; V55-F242 HydrophobicContact CG1-CZ 4.27Å
56	K	94.6	Very high	93.8	Very high	35 Å²	35	48.3 Å²	48.3	15%	0.152	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.1	169.8	-177.6	162.5	-179.2	156.3	0	109.6	K79 Y183 D184	K56-K79 HydrophobicContact CB-CB 4.26Å; K56-K79 PolarHBondContact N-O 3.43Å; K56-K79 WeakPolarHBondContact O-CB 3.31Å; K56-K79 PolarHBondContact O-N 2.92Å; K56-Y183 HydrophobicContact CB-CG 4.32Å; K56-Y183 HydrophobicContact CD-CD1 3.78Å; K56-Y183 HydrophobicContact CD-CG 4.02Å; K56-D184 IonicContact NZ-OD1 3.64Å; K56-D184 IonicContact NZ-OD2 2.9Å; K56-D184 PolarHBondContact NZ-OD2 2.69Å
57	L	94.9	Very high	93.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140	173.3	-61.4	-172.3	0	0	0	110	I76 I78 F168 V205 D206 F242	L57-I76 HydrophobicContact CB-CG2 4.01Å; L57-I76 HydrophobicContact CD1-CG2 4.27Å; L57-I76 HydrophobicContact CD2-CG2 3.82Å; L57-I76 HydrophobicContact CG-CG2 4.23Å; L57-I78 HydrophobicContact CD2-CB 4.1Å; L57-I78 HydrophobicContact CD2-CG1 3.67Å; L57-I78 HydrophobicContact CD2-CG2 3.98Å; L57-F168 HydrophobicContact CD1-CD2 4.15Å; L57-F168 HydrophobicContact CD1-CE2 3.61Å; L57-F168 HydrophobicContact CD1-CZ 4.5Å; L57-F168 HydrophobicContact CD2-CE2 4.17Å; L57-F168 HydrophobicContact CG-CE2 4.49Å; L57-V205 HydrophobicContact CB-CG1 4.4Å; L57-D206 PolarHBondContact O-N 3.39Å; L57-F242 HydrophobicContact CB-CD1 4.06Å; L57-F242 HydrophobicContact CB-CE1 3.95Å; L57-F242 HydrophobicContact CB-CZ 4.4Å; L57-F242 HydrophobicContact CD1-CB 3.87Å; L57-F242 HydrophobicContact CD1-CD1 3.55Å; L57-F242 HydrophobicContact CD1-CD2 3.37Å; L57-F242 HydrophobicContact CD1-CE1 3.92Å; L57-F242 HydrophobicContact CD1-CE2 3.71Å; L57-F242 HydrophobicContact CD1-CG 3.3Å; L57-F242 HydrophobicContact CD1-CZ 4Å; L57-F242 HydrophobicContact CD2-CE2 4.37Å; L57-F242 HydrophobicContact CD2-CZ 4.39Å; L57-F242 HydrophobicContact CG-CD1 3.7Å; L57-F242 HydrophobicContact CG-CD2 3.9Å; L57-F242 HydrophobicContact CG-CE1 3.54Å; L57-F242 HydrophobicContact CG-CE2 3.7Å; L57-F242 HydrophobicContact CG-CG 3.92Å; L57-F242 HydrophobicContact CG-CZ 3.55Å
58	R	95	Very high	93.7	Very high	72 Å²	72	46.4 Å²	46.4	27%	0.272	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.8	160.6	-179.9	-175.5	-65.2	169.7	7.4	108.9	I76 W77 D206 D209	R58-I76 CarbonylContact O-C 3.59Å; R58-I76 WeakPolarHBondContact O-CA 3.37Å; R58-W77 HydrophobicContact CB-CB 4.22Å; R58-W77 PolarHBondContact N-O 3.23Å; R58-W77 PolarHBondContact O-N 3.46Å; R58-D206 VanDerWaalsContact CA-O 3.29Å; R58-D206 WeakPolarHBondContact CA-O 3.39Å; R58-D206 HydrophobicContact CB-CB 3.94Å; R58-D206 HydrophobicContact CG-CB 4.08Å; R58-D206 WeakPolarHBondContact CG-O 3.22Å; R58-D206 IonicContact CZ-OD2 2.88Å; R58-D206 IonicContact NE-OD2 2.77Å; R58-D206 PolarHBondContact NE-OD2 3.27Å; R58-D206 IonicContact NH2-OD2 3.96Å; R58-D206 PolarHBondContact NH2-OD2 2.94Å; R58-D206 VanDerWaalsContact NH2-OD2 3.13Å; R58-D209 WeakPolarHBondContact CD-OD2 3.3Å; R58-D209 IonicContact CZ-OD2 2.84Å; R58-D209 IonicContact NE-OD2 3.56Å; R58-D209 IonicContact NH1-OD2 2.73Å; R58-D209 PolarHBondContact NH1-OD2 2.87Å
59	L	95.4	Very high	93.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.3	177.1	178.8	67.6	0	0	0	108.8	T74 I76 V205 D206 L207 F210 I218 I244	L59-T74 HydrophobicContact CD1-CG2 4.14Å; L59-I76 HydrophobicContact CD1-CD1 4.31Å; L59-I76 HydrophobicContact CD1-CG1 3.73Å; L59-V205 HydrophobicContact CB-CG1 3.78Å; L59-D206 PolarHBondContact N-O 3.49Å; L59-L207 HydrophobicContact CB-CD2 3.93Å; L59-L207 HydrophobicContact CD2-CD2 4.02Å; L59-L207 HydrophobicContact CG-CD2 4.46Å; L59-F210 HydrophobicContact CD2-CD2 4.03Å; L59-F210 HydrophobicContact CD2-CE2 3.85Å; L59-F210 HydrophobicContact CG-CD2 3.96Å; L59-F210 HydrophobicContact CG-CE2 4.09Å; L59-I218 HydrophobicContact CD2-CD1 3.57Å; L59-I244 HydrophobicContact CD2-CD1 4.45Å
60	S	94.1	Very high	93.7	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-41.2	177.2	-67.1	0	0	0	0	112.2	N75 W77 F210 L211	S60-N75 PolarHBondContact N-O 2.94Å; S60-W77 PolarHBondContact OG-NE1 2.99Å; S60-F210 WeakPolarHBondContact O-CA 3.47Å; S60-L211 PolarHBondContact O-N 3.37Å
61	Q	94.1	Very high	93.8	Very high	66 Å²	66	45 Å²	45	31%	0.308	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	140	-178.9	-170.6	179.5	-1.1	0	0	110.9	L63 N75	Q61-L63 HydrophobicContact CG-CD2 4.33Å; Q61-N75 HydrophobicContact CB-CB 4.32Å; Q61-N75 PolarHBondContact N-O 2.94Å; Q61-N75 PolarHBondContact O-N 3.35Å
62	L	94.4	Very high	93.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.6	160.9	179	63	0	0	0	107.8	V65 I72 T74 F210 W216 L246	L62-V65 HydrophobicContact CD1-CG2 4.18Å; L62-V65 HydrophobicContact CD2-CG2 4.14Å; L62-V65 HydrophobicContact CG-CG2 4.41Å; L62-I72 HydrophobicContact CD1-CD1 3.59Å; L62-I72 HydrophobicContact CD1-CG1 3.59Å; L62-T74 HydrophobicContact CD1-CG2 3.96Å; L62-F210 HydrophobicContact CB-CE2 4.44Å; L62-W216 HydrophobicContact CD2-CB 3.72Å; L62-W216 HydrophobicContact CD2-CG 4.08Å; L62-L246 HydrophobicContact CD2-CD1 3.99Å; L62-L246 HydrophobicContact CD2-CD2 3.72Å
63	L	92.5	Very high	93.7	Very high	73 Å²	73	42.4 Å²	42.4	38%	0.382	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-50.1	-172.6	-74.3	168.9	0	0	0	111.7	Q61 T73 N75 F145	Q61-L63 HydrophobicContact CG-CD2 4.33Å; L63-T73 HydrophobicContact CB-CG2 4.06Å; L63-T73 WeakPolarHBondContact CB-O 3.47Å; L63-T73 HydrophobicContact CD1-CG2 3.9Å; L63-T73 PolarHBondContact N-O 3.47Å; L63-N75 HydrophobicContact CD1-CB 4.34Å; L63-F145 HydrophobicContact CD1-CD1 3.53Å; L63-F145 HydrophobicContact CD1-CE1 3.75Å
64	D	92.6	Very high	93.6	Very high	70 Å²	70	42.4 Å²	42.4	37%	0.374	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	148.6	-177.9	-159	-5.5	0	0	0	111.1	H66 T73	D64-H66 IonicContact OD1-CD2 2.72Å; D64-H66 IonicContact OD2-CD2 3.78Å; D64-H66 PolarHBondContact OD2-CD2 2.96Å; D64-H66 IonicContact OD2-CE1 3.45Å; D64-H66 IonicContact OD2-CG 2.65Å; D64-H66 IonicContact OD2-NE2 3.65Å; D64-H66 PolarHBondContact OD2-NE2 3.35Å; D64-T73 PolarHBondContact N-O 2.87Å; D64-T73 PolarHBondContact O-N 3.48Å
65	V	93.3	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	95.8	169.5	-177.1	0	0	0	0	106	L62 E67 I72 I152 W216 L246	L62-V65 HydrophobicContact CD1-CG2 4.18Å; L62-V65 HydrophobicContact CD2-CG2 4.14Å; L62-V65 HydrophobicContact CG-CG2 4.41Å; V65-E67 VanDerWaalsContact O-CD 3.23Å; V65-E67 PolarHBondContact O-N 3.46Å; V65-E67 VanDerWaalsContact O-N 3.13Å; V65-E67 VanDerWaalsContact O-OE2 3.05Å; V65-I72 HydrophobicContact CG2-CG1 4.22Å; V65-I152 HydrophobicContact CG1-CD1 3.93Å; V65-W216 HydrophobicContact CB-CZ2 3.99Å; V65-W216 HydrophobicContact CG1-CZ2 3.98Å; V65-W216 HydrophobicContact CG2-CD2 4.33Å; V65-W216 HydrophobicContact CG2-CG 4.34Å; V65-W216 HydrophobicContact CG2-CZ2 4.29Å; V65-L246 HydrophobicContact CG2-CD1 4.08Å
66	H	92.8	Very high	93.5	Very high	78 Å²	78	39.7 Å²	39.7	36%	0.361	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	96.7	179.9	-70.5	-128.7	0	0	0	109.5	D64 K68 N69 Q70 I71	D64-H66 IonicContact OD1-CD2 2.72Å; D64-H66 IonicContact OD2-CD2 3.78Å; D64-H66 PolarHBondContact OD2-CD2 2.96Å; D64-H66 IonicContact OD2-CE1 3.45Å; D64-H66 IonicContact OD2-CG 2.65Å; D64-H66 IonicContact OD2-NE2 3.65Å; D64-H66 PolarHBondContact OD2-NE2 3.35Å; H66-K68 PolarHBondContact O-N 2.89Å; H66-N69 HydrophobicContact CB-CB 4.37Å; H66-N69 PolarHBondContact O-N 2.98Å; H66-Q70 WeakPolarHBondContact O-CA 3.34Å; H66-Q70 PolarHBondContact O-N 3.32Å; H66-I71 PolarHBondContact N-O 2.8Å; H66-I71 PolarHBondContact O-N 3.12Å; H66-I71 VanDerWaalsContact O-N 3.16Å
67	E	90.5	Very high	93.4	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.121	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-43.6	-174.7	-59.8	88.2	164.1	0	0	112.1	V65 N69 Q70 I152 R248 P304	V65-E67 VanDerWaalsContact O-CD 3.23Å; V65-E67 PolarHBondContact O-N 3.46Å; V65-E67 VanDerWaalsContact O-N 3.13Å; V65-E67 VanDerWaalsContact O-OE2 3.05Å; E67-N69 VanDerWaalsContact C-N 3.3Å; E67-N69 PolarHBondContact O-N 3.47Å; E67-Q70 PolarHBondContact O-N 3.49Å; E67-Q70 VanDerWaalsContact O-N 3.12Å; E67-I152 HydrophobicContact CB-CG1 4.48Å; E67-I152 HydrophobicContact CB-CG2 4.36Å; E67-I152 HydrophobicContact CG-CG2 4.19Å; E67-R248 IonicContact OE1-CZ 2.99Å; E67-R248 VanDerWaalsContact OE1-CZ 3.26Å; E67-R248 IonicContact OE1-NH1 2.98Å; E67-R248 PolarHBondContact OE1-NH1 3.05Å; E67-R248 IonicContact OE1-NH2 3.75Å; E67-R248 PolarHBondContact OE1-NH2 3.42Å; E67-P304 WeakPolarHBondContact O-CB 3.48Å
68	K	88.9	Confident	93.3	Very high	135 Å²	135	42.6 Å²	42.6	59%	0.587	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-42.2	-179.6	-176.3	175.8	-176.6	169.7	0	113.3	H66	H66-K68 PolarHBondContact O-N 2.89Å
69	N	90.8	Very high	93.3	Very high	103 Å²	103	41.6 Å²	41.6	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.4	-178.8	-68.6	-13.5	0	0	0	112.7	H66 E67 I71	H66-N69 HydrophobicContact CB-CB 4.37Å; H66-N69 PolarHBondContact O-N 2.98Å; E67-N69 VanDerWaalsContact C-N 3.3Å; E67-N69 PolarHBondContact O-N 3.47Å; N69-I71 HydrophobicContact CB-CD1 3.98Å; N69-I71 HydrophobicContact CB-CG1 4.25Å; N69-I71 WeakPolarHBondContact O-CG1 3.36Å
70	Q	92.6	Very high	93.3	Very high	64 Å²	64	41.6 Å²	41.6	30%	0.299	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	45.4	-176.6	-58.2	-174.3	-28.9	0	0	112.9	H66 E67 M149 C150 P304	H66-Q70 WeakPolarHBondContact O-CA 3.34Å; H66-Q70 PolarHBondContact O-N 3.32Å; E67-Q70 PolarHBondContact O-N 3.49Å; E67-Q70 VanDerWaalsContact O-N 3.12Å; Q70-M149 WeakPolarHBondContact O-CA 3.24Å; Q70-C150 CarbonylContact C-O 3.57Å; Q70-C150 WeakPolarHBondContact CB-O 3.27Å; Q70-C150 PolarHBondContact O-N 3.22Å; Q70-P304 HydrophobicContact CG-CB 4.47Å
71	I	94.5	Very high	93.5	Very high	32 Å²	32	41.7 Å²	41.7	16%	0.164	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.4	-177.3	-63.6	169.1	0	0	0	110.2	H66 N69 A118 K147 S148	H66-I71 PolarHBondContact N-O 2.8Å; H66-I71 PolarHBondContact O-N 3.12Å; H66-I71 VanDerWaalsContact O-N 3.16Å; N69-I71 HydrophobicContact CB-CD1 3.98Å; N69-I71 HydrophobicContact CB-CG1 4.25Å; N69-I71 WeakPolarHBondContact O-CG1 3.36Å; I71-A118 HydrophobicContact CD1-CB 3.71Å; I71-A118 HydrophobicContact CG1-CB 3.71Å; I71-A118 HydrophobicContact CG2-CB 4.23Å; I71-K147 HydrophobicContact CG2-CB 3.75Å; I71-K147 HydrophobicContact CG2-CD 4.43Å; I71-K147 HydrophobicContact CG2-CG 4.26Å; I71-S148 CarbonylContact C-O 3.55Å; I71-S148 VanDerWaalsContact CA-O 3.32Å; I71-S148 WeakPolarHBondContact CA-O 3.39Å
72	I	95	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.9	169.4	-176.5	175.9	0	0	0	109.9	L62 V65 T74 K147 S148 C150 C164 L246	L62-I72 HydrophobicContact CD1-CD1 3.59Å; L62-I72 HydrophobicContact CD1-CG1 3.59Å; V65-I72 HydrophobicContact CG2-CG1 4.22Å; I72-T74 HydrophobicContact CD1-CG2 4.1Å; I72-T74 HydrophobicContact CG1-CG2 3.99Å; I72-K147 CarbonylContact O-C 3.6Å; I72-K147 VanDerWaalsContact O-CA 3.28Å; I72-K147 WeakPolarHBondContact O-CA 3.43Å; I72-S148 WeakPolarHBondContact CG2-OG 3.5Å; I72-S148 PolarHBondContact N-O 3.39Å; I72-S148 PolarHBondContact O-N 2.9Å; I72-C150 HydrophobicContact CB-CB 4.33Å; I72-C150 HydrophobicContact CG2-CB 3.93Å; I72-C164 HydrophobicContact CD1-CB 3.85Å; I72-C164 HydrophobicContact CG2-CB 4.17Å; I72-L246 HydrophobicContact CD1-CD1 3.84Å
73	T	94.5	Very high	93.6	Very high	17 Å²	17	42 Å²	42	10%	0.104	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.3	178.5	-53.2	0	0	0	0	110.2	L63 D64 Y146 K147	L63-T73 HydrophobicContact CB-CG2 4.06Å; L63-T73 WeakPolarHBondContact CB-O 3.47Å; L63-T73 HydrophobicContact CD1-CG2 3.9Å; L63-T73 PolarHBondContact N-O 3.47Å; D64-T73 PolarHBondContact N-O 2.87Å; D64-T73 PolarHBondContact O-N 3.48Å; T73-Y146 WeakPolarHBondContact CA-O 3.39Å; T73-K147 HydrophobicContact CG2-CG 4.2Å
74	T	94.6	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140	-175.2	55.4	0	0	0	0	111.7	L59 L62 I72 I76 F145 Y146 I244	L59-T74 HydrophobicContact CD1-CG2 4.14Å; L62-T74 HydrophobicContact CD1-CG2 3.96Å; I72-T74 HydrophobicContact CD1-CG2 4.1Å; I72-T74 HydrophobicContact CG1-CG2 3.99Å; T74-I76 HydrophobicContact CG2-CD1 4.4Å; T74-I76 WeakPolarHBondContact OG1-CD1 3.5Å; T74-F145 WeakPolarHBondContact O-CA 3.45Å; T74-Y146 PolarHBondContact N-O 3.24Å; T74-Y146 PolarHBondContact O-N 3.46Å; T74-I244 HydrophobicContact CG2-CD1 4.38Å
75	N	93.6	Very high	93.8	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.171	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.5	168.2	-175.4	6.2	0	0	0	109.4	S60 Q61 L63 F145	S60-N75 PolarHBondContact N-O 2.94Å; Q61-N75 HydrophobicContact CB-CB 4.32Å; Q61-N75 PolarHBondContact N-O 2.94Å; Q61-N75 PolarHBondContact O-N 3.35Å; L63-N75 HydrophobicContact CD1-CB 4.34Å; N75-F145 HydrophobicContact CB-CD1 3.97Å; N75-F145 HydrophobicContact CB-CE1 3.81Å
76	I	94	Very high	93.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142	-169.3	-61.3	176.2	0	0	0	110.1	L57 R58 L59 T74 I78 A144 Y146 L166	L57-I76 HydrophobicContact CB-CG2 4.01Å; L57-I76 HydrophobicContact CD1-CG2 4.27Å; L57-I76 HydrophobicContact CD2-CG2 3.82Å; L57-I76 HydrophobicContact CG-CG2 4.23Å; R58-I76 CarbonylContact O-C 3.59Å; R58-I76 WeakPolarHBondContact O-CA 3.37Å; L59-I76 HydrophobicContact CD1-CD1 4.31Å; L59-I76 HydrophobicContact CD1-CG1 3.73Å; T74-I76 HydrophobicContact CG2-CD1 4.4Å; T74-I76 WeakPolarHBondContact OG1-CD1 3.5Å; I76-I78 HydrophobicContact CG2-CG1 4.34Å; I76-A144 PolarHBondContact N-O 3.06Å; I76-A144 PolarHBondContact O-N 3.41Å; I76-Y146 HydrophobicContact CB-CD2 4.49Å; I76-L166 HydrophobicContact CD1-CD1 3.5Å; I76-L166 VanDerWaalsContact CD1-CD1 3.5Å
77	W	93.9	Very high	93.7	Very high	98 Å²	98	37.8 Å²	37.8	37%	0.371	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.7	163.5	-57.9	73.1	0	0	0	108.8	R58 S60 P143	R58-W77 HydrophobicContact CB-CB 4.22Å; R58-W77 PolarHBondContact N-O 3.23Å; R58-W77 PolarHBondContact O-N 3.46Å; S60-W77 PolarHBondContact OG-NE1 2.99Å; W77-P143 HydrophobicContact CD2-CB 3.97Å; W77-P143 HydrophobicContact CE3-CB 3.92Å; W77-P143 HydrophobicContact CE3-CG 4.37Å; W77-P143 HydrophobicContact CH2-CB 3.99Å; W77-P143 HydrophobicContact CH2-CG 4.12Å; W77-P143 HydrophobicContact CZ2-CB 4.03Å; W77-P143 HydrophobicContact CZ3-CB 3.93Å; W77-P143 HydrophobicContact CZ3-CG 3.98Å
78	I	93.3	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.5	176.9	-55.2	176.3	0	0	0	108.2	V55 L57 I76 Q80 E141 P142 Y146 F168	V55-I78 HydrophobicContact CG1-CG2 4.14Å; L57-I78 HydrophobicContact CD2-CB 4.1Å; L57-I78 HydrophobicContact CD2-CG1 3.67Å; L57-I78 HydrophobicContact CD2-CG2 3.98Å; I76-I78 HydrophobicContact CG2-CG1 4.34Å; I78-Q80 HydrophobicContact CG2-CG 3.73Å; I78-Q80 PolarHBondContact O-N 3.23Å; I78-E141 WeakPolarHBondContact O-CA 3.26Å; I78-P142 PolarHBondContact N-O 3.35Å; I78-P142 VanDerWaalsContact O-CD 3.28Å; I78-P142 WeakPolarHBondContact O-CD 3.35Å; I78-Y146 HydrophobicContact CD1-CE2 3.43Å; I78-Y146 VanDerWaalsContact CD1-CE2 3.43Å; I78-Y146 WeakPolarHBondContact CD1-OH 3.33Å; I78-Y146 HydrophobicContact CG1-CE2 4.08Å; I78-F168 HydrophobicContact CD1-CD1 4.37Å; I78-F168 HydrophobicContact CD1-CE1 3.62Å; I78-F168 HydrophobicContact CD1-CZ 3.99Å
79	K	94.7	Very high	94	Very high	52 Å²	52	36.2 Å²	36.2	23%	0.226	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.8	172.2	178.2	174.5	-169.1	126.7	0	110.2	V55 K56 I81 E141	V55-K79 CarbonylContact C-O 3.55Å; V55-K79 WeakPolarHBondContact CA-O 3.47Å; K56-K79 HydrophobicContact CB-CB 4.26Å; K56-K79 PolarHBondContact N-O 3.43Å; K56-K79 WeakPolarHBondContact O-CB 3.31Å; K56-K79 PolarHBondContact O-N 2.92Å; K79-I81 HydrophobicContact CD-CD1 4.47Å; K79-I81 HydrophobicContact CG-CD1 4.37Å; K79-I81 HydrophobicContact CG-CG1 4.19Å; K79-E141 HydrophobicContact CB-CG 3.93Å; K79-E141 WeakPolarHBondContact CD-OE1 3.35Å; K79-E141 WeakPolarHBondContact CE-OE1 3.4Å; K79-E141 HydrophobicContact CG-CG 3.87Å; K79-E141 VanDerWaalsContact CG-OE1 3.27Å; K79-E141 WeakPolarHBondContact CG-OE1 3.33Å; K79-E141 IonicContact NZ-OE1 3.22Å; K79-E141 PolarHBondContact NZ-OE1 3.01Å
80	Q	95.4	Very high	94.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.1	177	-55.3	179.3	29.7	0	0	108.8	K54 I78 W82 W140	K54-Q80 CarbonylContact O-C 3.57Å; K54-Q80 WeakPolarHBondContact O-CA 3.41Å; I78-Q80 HydrophobicContact CG2-CG 3.73Å; I78-Q80 PolarHBondContact O-N 3.23Å; Q80-W82 HydrophobicContact CB-CE3 4.3Å; Q80-W82 HydrophobicContact CB-CZ3 4.03Å; Q80-W140 PolarHBondContact N-O 3.45Å; Q80-W140 PolarHBondContact O-N 3.44Å
81	I	97	Very high	94.2	Very high	20 Å²	20	33.2 Å²	33.2	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122	177.7	-46.9	179.4	0	0	0	109.4	K54 K79 T137 V138 V139 Y183	K54-I81 HydrophobicContact CB-CB 4.17Å; K54-I81 PolarHBondContact N-O 2.92Å; K54-I81 PolarHBondContact O-N 2.95Å; K79-I81 HydrophobicContact CD-CD1 4.47Å; K79-I81 HydrophobicContact CG-CD1 4.37Å; K79-I81 HydrophobicContact CG-CG1 4.19Å; I81-T137 HydrophobicContact CG2-CG2 3.51Å; I81-V138 VanDerWaalsContact CA-O 3.29Å; I81-V138 WeakPolarHBondContact CA-O 3.32Å; I81-V139 HydrophobicContact CD1-CG2 4.27Å; I81-V139 HydrophobicContact CG1-CG1 4.28Å; I81-V139 HydrophobicContact CG1-CG2 4.11Å; I81-V139 HydrophobicContact CG2-CG2 4.09Å; I81-Y183 HydrophobicContact CD1-CD2 3.58Å; I81-Y183 HydrophobicContact CD1-CE2 3.34Å
82	W	96.2	Very high	94.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	168.2	173.1	67.3	99.1	0	0	0	109.7	V51 V53 Q80 W108 T109 P110 V138 W140	V51-W82 HydrophobicContact CG1-CB 4.16Å; V53-W82 HydrophobicContact CG2-CB 4.19Å; Q80-W82 HydrophobicContact CB-CE3 4.3Å; Q80-W82 HydrophobicContact CB-CZ3 4.03Å; W82-W108 AromaticContact CD1-CZ3 3.86Å; W82-W108 HydrophobicContact CG-CZ3 4.2Å; W82-W108 WeakPolarHBondContact CZ2-O 3.48Å; W82-W108 AromaticContact NE1-CE3 3.76Å; W82-T109 HydrophobicContact CH2-CG2 4.37Å; W82-P110 HydrophobicContact CE3-CG 4.28Å; W82-P110 HydrophobicContact CZ3-CG 4.5Å; W82-V138 HydrophobicContact CD2-CB 4.01Å; W82-V138 HydrophobicContact CD2-CG1 4.42Å; W82-V138 HydrophobicContact CE3-CB 4.46Å; W82-V138 HydrophobicContact CH2-CB 4.25Å; W82-V138 HydrophobicContact CH2-CG1 3.59Å; W82-V138 HydrophobicContact CZ2-CB 3.77Å; W82-V138 HydrophobicContact CZ2-CG1 3.36Å; W82-V138 HydrophobicContact CZ2-CG2 4.37Å; W82-V138 HydrophobicContact CZ3-CG1 4.2Å; W82-V138 PolarHBondContact N-O 3.15Å; W82-V138 VanDerWaalsContact N-O 3.14Å; W82-V138 PolarHBondContact O-N 3.4Å; W82-W140 HydrophobicContact CH2-CB 3.81Å; W82-W140 HydrophobicContact CH2-CE3 4.45Å; W82-W140 HydrophobicContact CZ3-CB 3.76Å
83	T	95.8	Very high	93.9	Very high	76 Å²	76	42.1 Å²	42.1	47%	0.466	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.7	174.4	-56.6	0	0	0	0	108.8	G136	T83-G136 CarbonylContact C-O 3.6Å; T83-G136 WeakPolarHBondContact CA-O 3.46Å
84	D	95.4	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.6	175.9	-169.9	-34.4	0	0	0	110	Y37 P43 N86 L87 G136 V138	Y37-D84 WeakPolarHBondContact CE2-OD2 3.39Å; Y37-D84 PolarHBondContact OH-OD2 2.95Å; P43-D84 HydrophobicContact CB-CB 3.85Å; P43-D84 VanDerWaalsContact CB-OD1 3.22Å; P43-D84 WeakPolarHBondContact CB-OD1 3.32Å; P43-D84 WeakPolarHBondContact CB-OD2 3.45Å; P43-D84 HydrophobicContact CG-CB 4.27Å; D84-N86 VanDerWaalsContact C-N 3.26Å; D84-N86 PolarHBondContact O-N 3.05Å; D84-N86 WeakPolarHBondContact OD1-CB 3.3Å; D84-N86 PolarHBondContact OD1-N 2.86Å; D84-L87 HydrophobicContact CB-CB 4.13Å; D84-L87 HydrophobicContact CB-CD1 3.76Å; D84-L87 HydrophobicContact CB-CG 3.89Å; D84-L87 PolarHBondContact O-N 3.34Å; D84-L87 WeakPolarHBondContact OD2-CD1 3.33Å; D84-G136 PolarHBondContact N-O 3.21Å; D84-G136 WeakPolarHBondContact O-CA 3.42Å; D84-V138 HydrophobicContact CB-CG2 4.18Å
85	C	92.4	Very high	93.2	Very high	30 Å²	30	45 Å²	45	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-22.6	-178.9	59.8	0	0	0	0	113.8	Q45	Q45-C85 HydrophobicContact CG-CB 4.02Å
86	N	91.5	Very high	93	Very high	100 Å²	100	46 Å²	46	54%	0.535	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-15.1	-178.6	-58.7	-39.1	0	0	0	112.4	Y37 D84	Y37-N86 HydrophobicContact CD2-CB 3.98Å; Y37-N86 HydrophobicContact CE2-CB 4.01Å; D84-N86 VanDerWaalsContact C-N 3.26Å; D84-N86 PolarHBondContact O-N 3.05Å; D84-N86 WeakPolarHBondContact OD1-CB 3.3Å; D84-N86 PolarHBondContact OD1-N 2.86Å
87	L	92.8	Very high	92.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	42.4	-177.9	-56.2	178.6	0	0	0	112.5	I33 Y37 D84 W89 L107 V132 G136 V138	I33-L87 HydrophobicContact CG2-CD2 3.3Å; Y37-L87 HydrophobicContact CD2-CD2 3.83Å; Y37-L87 HydrophobicContact CE2-CD1 4.42Å; Y37-L87 HydrophobicContact CE2-CD2 3.69Å; Y37-L87 HydrophobicContact CE2-CG 3.96Å; D84-L87 HydrophobicContact CB-CB 4.13Å; D84-L87 HydrophobicContact CB-CD1 3.76Å; D84-L87 HydrophobicContact CB-CG 3.89Å; D84-L87 PolarHBondContact O-N 3.34Å; D84-L87 WeakPolarHBondContact OD2-CD1 3.33Å; L87-W89 WeakPolarHBondContact O-CZ3 3.32Å; L87-L107 HydrophobicContact CD1-CD1 4.36Å; L87-L107 HydrophobicContact CD1-CD2 3.78Å; L87-L107 HydrophobicContact CD2-CD2 4.16Å; L87-V132 HydrophobicContact CB-CG1 3.91Å; L87-V132 HydrophobicContact CD1-CG1 4.15Å; L87-V132 HydrophobicContact CD1-CG2 4.47Å; L87-G136 WeakPolarHBondContact O-CA 3.4Å; L87-V138 HydrophobicContact CD1-CG2 3.74Å
88	K	93.3	Very high	92.7	Very high	105 Å²	105	46.6 Å²	46.6	46%	0.457	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.5	179.2	-65.9	-177.5	178.7	179.4	0	110.8	N135	K88-N135 VanDerWaalsContact CE-O 3.22Å; K88-N135 WeakPolarHBondContact CE-O 3.38Å
89	W	93.5	Very high	92.7	Very high	22 Å²	22	48.2 Å²	48.2	8%	0.083	28%	0.282	C	S	.	.			trans	-147.3	163	173.5	69.2	95.7	0	0	0	111.4	L29 I33 L87 P91 Y94 L97 L100 V132 H133 H134	L29-W89 HydrophobicContact CD1-CB 3.84Å; L29-W89 HydrophobicContact CD1-CD2 3.99Å; L29-W89 HydrophobicContact CD1-CG 3.63Å; L29-W89 HydrophobicContact CD2-CD2 3.9Å; L29-W89 HydrophobicContact CD2-CG 4.18Å; L29-W89 HydrophobicContact CD2-CZ2 3.89Å; I33-W89 HydrophobicContact CD1-CB 4.49Å; I33-W89 HydrophobicContact CD1-CD2 4Å; I33-W89 HydrophobicContact CD1-CE3 3.39Å; I33-W89 HydrophobicContact CD1-CG 4.49Å; I33-W89 HydrophobicContact CD1-CZ3 3.88Å; L87-W89 WeakPolarHBondContact O-CZ3 3.32Å; W89-P91 WeakPolarHBondContact O-CD 3.19Å; W89-Y94 HydrophobicContact CB-CD2 4.37Å; W89-Y94 HydrophobicContact CB-CE2 4.08Å; W89-Y94 AromaticContact CD1-CD2 3.88Å; W89-Y94 HydrophobicContact CG-CD2 4.43Å; W89-L97 PolarHBondContact NE1-O 3.14Å; W89-L100 HydrophobicContact CH2-CB 4.06Å; W89-L100 HydrophobicContact CZ2-CB 4.32Å; W89-V132 HydrophobicContact CH2-CB 4.34Å; W89-V132 HydrophobicContact CH2-CG1 3.98Å; W89-V132 WeakPolarHBondContact CH2-O 3.17Å; W89-V132 HydrophobicContact CZ3-CB 4.48Å; W89-V132 HydrophobicContact CZ3-CG1 3.68Å; W89-H133 WeakPolarHBondContact CZ3-O 3.44Å; W89-H134 HydrophobicContact CD2-CB 3.98Å; W89-H134 HydrophobicContact CG-CB 4.41Å; W89-H134 HydrophobicContact CH2-CB 4.38Å; W89-H134 VanDerWaalsContact CZ2-CA 3.47Å; W89-H134 HydrophobicContact CZ2-CB 3.77Å; W89-H134 PolarHBondContact N-O 2.91Å
90	N	94.3	Very high	92.7	Very high	76 Å²	76	46.4 Å²	46.4	41%	0.406	28%	0.275	S	S	.	.			trans	-91.8	115.5	174.1	-173.6	-4.6	0	0	0	109.7	S92 E93	N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å; N90-S92 WeakPolarHBondContact OD1-CB 3.34Å; N90-S92 PolarHBondContact OD1-N 3.36Å; N90-S92 PolarHBondContact OD1-OG 3.03Å; N90-E93 HydrophobicContact CB-CG 4.28Å; N90-E93 PolarHBondContact O-N 3.49Å; N90-E93 VanDerWaalsContact O-N 3.08Å
91	P	92.8	Very high	92.5	Very high	29 Å²	29	51.8 Å²	51.8	19%	0.188	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.6	-32.2	-179.3	-28.2	36	0	0	0	113.5	W89 E93 Y94 G95 G96 H134	W89-P91 WeakPolarHBondContact O-CD 3.19Å; P91-E93 PolarHBondContact O-N 3.44Å; P91-Y94 PolarHBondContact O-N 2.68Å; P91-G95 PolarHBondContact O-N 3.09Å; P91-G96 VanDerWaalsContact O-CA 3.32Å; P91-G96 WeakPolarHBondContact O-CA 3.49Å; P91-G96 PolarHBondContact O-N 2.99Å; P91-H134 HydrophobicContact CG-CB 3.72Å
92	S	91.8	Very high	92.3	Very high	100 Å²	100	51.1 Å²	51.1	70%	0.699	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-59.8	-31.7	-180	-56.1	0	0	0	0	113.2	N90	N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å; N90-S92 WeakPolarHBondContact OD1-CB 3.34Å; N90-S92 PolarHBondContact OD1-N 3.36Å; N90-S92 PolarHBondContact OD1-OG 3.03Å
93	E	90.6	Very high	92.2	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-79	-23.1	-178.5	-69.5	172.4	-157	0	0	112.8	R28 N90 P91	R28-E93 PolarHBondContact NH2-O 3.24Å; N90-E93 HydrophobicContact CB-CG 4.28Å; N90-E93 PolarHBondContact O-N 3.49Å; N90-E93 VanDerWaalsContact O-N 3.08Å; P91-E93 PolarHBondContact O-N 3.44Å
94	Y	90.3	Very high	92	Very high	27 Å²	27	49.2 Å²	49.2	11%	0.106	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-114.2	30.2	-174.2	-60.7	-88.1	0	0	0	112.4	N25 R28 L29 D32 W89 P91	N25-Y94 WeakPolarHBondContact CB-O 3.38Å; R28-Y94 VanDerWaalsContact NH2-CD1 3.3Å; L29-Y94 HydrophobicContact CB-CD1 3.6Å; L29-Y94 HydrophobicContact CB-CE1 3.89Å; L29-Y94 HydrophobicContact CB-CG 4.14Å; L29-Y94 HydrophobicContact CD1-CD1 3.78Å; L29-Y94 HydrophobicContact CD1-CD2 3.74Å; L29-Y94 HydrophobicContact CD1-CE1 3.65Å; L29-Y94 HydrophobicContact CD1-CE2 3.64Å; L29-Y94 HydrophobicContact CD1-CG 3.81Å; L29-Y94 HydrophobicContact CG-CD1 4.26Å; L29-Y94 HydrophobicContact CG-CE1 4.41Å; L29-Y94 HydrophobicContact CG-CG 4.43Å; D32-Y94 WeakPolarHBondContact OD2-CE1 3.35Å; D32-Y94 PolarHBondContact OD2-OH 2.99Å; W89-Y94 HydrophobicContact CB-CD2 4.37Å; W89-Y94 HydrophobicContact CB-CE2 4.08Å; W89-Y94 AromaticContact CD1-CD2 3.88Å; W89-Y94 HydrophobicContact CG-CD2 4.43Å; P91-Y94 PolarHBondContact O-N 2.68Å
95	G	85.4	Confident	91.8	Very high	52 Å²	52	53 Å²	53	54%	0.536	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	33.8	174.6	0	0	0	0	0	114.4	P91	P91-G95 PolarHBondContact O-N 3.09Å
96	G	89.4	Confident	91.8	Very high	51 Å²	51	55.2 Å²	55.2	53%	0.526	31%	0.314	S	S	.	.	S	Bend	trans	80.3	18.6	178.2	0	0	0	0	0	114.3	P91 D98	P91-G96 VanDerWaalsContact O-CA 3.32Å; P91-G96 WeakPolarHBondContact O-CA 3.49Å; P91-G96 PolarHBondContact O-N 2.99Å; G96-D98 PolarHBondContact O-N 3.24Å
97	L	89.3	Confident	91.9	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.11	29%	0.29	C	S	.	.			trans	-73.9	111.4	178	-169.8	63.9	0	0	0	110.1	A26 L29 W89 V99 L100	A26-L97 HydrophobicContact CB-CD2 3.84Å; L29-L97 HydrophobicContact CB-CD2 4.44Å; L29-L97 HydrophobicContact CD2-CD2 3.55Å; L29-L97 HydrophobicContact CD2-CG 4.26Å; W89-L97 PolarHBondContact NE1-O 3.14Å; L97-V99 VanDerWaalsContact CD1-O 3.26Å; L97-V99 WeakPolarHBondContact CD1-O 3.24Å; L97-L100 HydrophobicContact CD2-CD1 4.31Å
98	D	92.1	Very high	92	Very high	92 Å²	92	50.8 Å²	50.8	49%	0.492	29%	0.29	S	S	.	.			trans	-96.3	-28.7	-178.6	60	-23.2	0	0	0	112.9	G96 H134	G96-D98 PolarHBondContact O-N 3.24Å; D98-H134 PolarHBondContact O-N 2.86Å
99	V	93.7	Very high	92	Very high	35 Å²	35	48.1 Å²	48.1	21%	0.212	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	-177.1	-179.2	0	0	0	0	111	L97 L131 V132	L97-V99 VanDerWaalsContact CD1-O 3.26Å; L97-V99 WeakPolarHBondContact CD1-O 3.24Å; V99-L131 HydrophobicContact CG1-CD2 3.6Å; V99-V132 CarbonylContact C-O 3.58Å; V99-V132 WeakPolarHBondContact CA-O 3.17Å
100	L	92.9	Very high	91.9	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.8	175.4	-175.3	68.8	0	0	0	110.3	L29 F30 W89 L97 V102 V132	L29-L100 HydrophobicContact CD2-CB 4.32Å; L29-L100 HydrophobicContact CD2-CD1 4.45Å; L29-L100 HydrophobicContact CD2-CD2 4.06Å; L29-L100 HydrophobicContact CG-CD2 4.19Å; F30-L100 HydrophobicContact CB-CD2 4.44Å; F30-L100 HydrophobicContact CD2-CD2 4.29Å; W89-L100 HydrophobicContact CH2-CB 4.06Å; W89-L100 HydrophobicContact CZ2-CB 4.32Å; L97-L100 HydrophobicContact CD2-CD1 4.31Å; L100-V102 HydrophobicContact CD2-CG2 3.67Å; L100-V102 HydrophobicContact CG-CG2 3.8Å; L100-V132 PolarHBondContact N-O 3.33Å; L100-V132 PolarHBondContact O-N 2.99Å
101	H	92.7	Very high	91.7	Very high	115 Å²	115	45.7 Å²	45.7	53%	0.532	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.5	172.2	-70.7	-92.6	0	0	0	110.4	K129 A130 L131	H101-K129 HydrophobicContact CB-CD 4.28Å; H101-A130 WeakPolarHBondContact CA-O 3.49Å; H101-L131 WeakPolarHBondContact CE1-CD2 3.39Å
102	V	92.9	Very high	91.7	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.1	-178.6	-175.6	0	0	0	0	109.5	F30 L100 A104 Q106 L107 K129 A130 V132	F30-V102 HydrophobicContact CD2-CG2 4.31Å; F30-V102 HydrophobicContact CE2-CG1 4.06Å; F30-V102 HydrophobicContact CE2-CG2 4.29Å; L100-V102 HydrophobicContact CD2-CG2 3.67Å; L100-V102 HydrophobicContact CG-CG2 3.8Å; V102-A104 PolarHBondContact O-N 2.94Å; V102-Q106 HydrophobicContact CG1-CB 4.48Å; V102-L107 HydrophobicContact CB-CD1 4.09Å; V102-L107 HydrophobicContact CB-CD2 4.47Å; V102-L107 HydrophobicContact CB-CG 4.36Å; V102-L107 HydrophobicContact CG1-CD1 4.14Å; V102-L107 HydrophobicContact CG1-CD2 3.8Å; V102-L107 HydrophobicContact CG1-CG 3.84Å; V102-K129 CarbonylContact O-C 3.56Å; V102-K129 WeakPolarHBondContact O-CA 3.45Å; V102-A130 PolarHBondContact N-O 3.44Å; V102-A130 PolarHBondContact O-N 3.19Å; V102-V132 HydrophobicContact CB-CG2 4.17Å; V102-V132 HydrophobicContact CG2-CG2 3.88Å
103	P	93.4	Very high	91.7	Very high	35 Å²	35	40.7 Å²	40.7	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	129.9	171.4	-25.4	36.3	0	0	0	111.8	D105 Q106	P103-D105 WeakPolarHBondContact CB-OD1 3.45Å; P103-D105 PolarHBondContact O-N 3.22Å; P103-Q106 HydrophobicContact CB-CG 4.32Å; P103-Q106 PolarHBondContact O-N 3.35Å; P103-Q106 VanDerWaalsContact O-N 3.16Å
104	A	92.4	Very high	91.9	Very high	3 Å²	3	35 Å²	35	3%	0.025	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.8	-24.9	-173.3	0	0	0	0	0	113.6	V102 Q106 L107 T109 I127 T128 W140	V102-A104 PolarHBondContact O-N 2.94Å; A104-Q106 PolarHBondContact O-N 3.05Å; A104-L107 PolarHBondContact O-N 2.91Å; A104-T109 HydrophobicContact CB-CG2 4.25Å; A104-T109 WeakPolarHBondContact O-CG2 3.44Å; A104-I127 HydrophobicContact CB-CG2 4.15Å; A104-T128 VanDerWaalsContact CB-O 3.27Å; A104-T128 WeakPolarHBondContact CB-O 3.33Å; A104-T128 PolarHBondContact N-O 3.48Å; A104-W140 HydrophobicContact CB-CD2 4.19Å; A104-W140 HydrophobicContact CB-CG 4.36Å; A104-W140 HydrophobicContact CB-CZ2 4.02Å
105	D	90.8	Very high	92	Very high	81 Å²	81	36 Å²	36	43%	0.433	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.2	-14.8	176.3	64.7	-45.5	0	0	0	114.4	K39 P103 I127	K39-D105 WeakPolarHBondContact CD-O 3.5Å; K39-D105 PolarHBondContact NZ-O 2.9Å; P103-D105 WeakPolarHBondContact CB-OD1 3.45Å; P103-D105 PolarHBondContact O-N 3.22Å; D105-I127 HydrophobicContact CB-CG2 4.27Å
106	Q	91.7	Very high	92.4	Very high	75 Å²	75	34.8 Å²	34.8	35%	0.35	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-94.2	-14.4	176.1	-62.2	-175.2	-13.1	0	0	113	F30 V102 P103 A104	F30-Q106 VanDerWaalsContact CZ-OE1 3.29Å; V102-Q106 HydrophobicContact CG1-CB 4.48Å; P103-Q106 HydrophobicContact CB-CG 4.32Å; P103-Q106 PolarHBondContact O-N 3.35Å; P103-Q106 VanDerWaalsContact O-N 3.16Å; A104-Q106 PolarHBondContact O-N 3.05Å
107	L	93.9	Very high	92.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-100	161.7	179.3	-60.6	-177.6	0	0	0	111	L34 Y37 L87 V102 A104 T109 A130 V132 V138	L34-L107 HydrophobicContact CD2-CD2 4.31Å; Y37-L107 HydrophobicContact CE1-CD2 4.3Å; L87-L107 HydrophobicContact CD1-CD1 4.36Å; L87-L107 HydrophobicContact CD1-CD2 3.78Å; L87-L107 HydrophobicContact CD2-CD2 4.16Å; V102-L107 HydrophobicContact CB-CD1 4.09Å; V102-L107 HydrophobicContact CB-CD2 4.47Å; V102-L107 HydrophobicContact CB-CG 4.36Å; V102-L107 HydrophobicContact CG1-CD1 4.14Å; V102-L107 HydrophobicContact CG1-CD2 3.8Å; V102-L107 HydrophobicContact CG1-CG 3.84Å; A104-L107 PolarHBondContact O-N 2.91Å; L107-T109 PolarHBondContact O-N 3.47Å; L107-A130 HydrophobicContact CD1-CB 4.05Å; L107-V132 HydrophobicContact CD1-CG2 3.83Å; L107-V138 HydrophobicContact CD1-CG1 4.15Å
108	W	94.8	Very high	92.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	18%	0.179	C	C	.	.			trans	-68	126.1	161	178.3	92.5	0	0	0	108.3	Y37 K39 R42 P43 V51 W82 P110 Y173 V178	Y37-W108 WeakPolarHBondContact OH-CB 3.37Å; Y37-W108 PolarHBondContact OH-N 3.29Å; K39-W108 WeakPolarHBondContact O-CA 3.42Å; R42-W108 HydrophobicContact CG-CZ2 3.96Å; P43-W108 VanDerWaalsContact CD-CE3 3.45Å; P43-W108 HydrophobicContact CG-CD2 4.12Å; P43-W108 HydrophobicContact CG-CE3 3.69Å; P43-W108 HydrophobicContact CG-CZ3 4.03Å; V51-W108 HydrophobicContact CB-CH2 4.06Å; V51-W108 HydrophobicContact CG1-CH2 3.83Å; V51-W108 HydrophobicContact CG1-CZ3 3.88Å; V51-W108 HydrophobicContact CG2-CH2 4.13Å; W82-W108 AromaticContact CD1-CZ3 3.86Å; W82-W108 HydrophobicContact CG-CZ3 4.2Å; W82-W108 WeakPolarHBondContact CZ2-O 3.48Å; W82-W108 AromaticContact NE1-CE3 3.76Å; W108-P110 HydrophobicContact CH2-CB 3.93Å; W108-P110 HydrophobicContact CZ3-CB 4.21Å; W108-P110 HydrophobicContact CZ3-CG 4.38Å; W108-Y173 AromaticContact CZ2-CE2 3.97Å; W108-Y173 HydrophobicContact CZ2-CE2 3.97Å; W108-Y173 AromaticContact NE1-CZ 3.94Å; W108-Y173 PolarHBondContact NE1-OH 2.92Å; W108-Y173 VanDerWaalsContact NE1-OH 3.16Å; W108-V178 HydrophobicContact CH2-CG2 4.37Å; W108-V178 HydrophobicContact CZ2-CG2 4.41Å
109	T	92.8	Very high	92.2	Very high	50 Å²	50	32 Å²	32	31%	0.307	17%	0.172	S	C	.	.			trans	-121.3	135	176.1	56.2	0	0	0	0	109.5	W82 A104 L107 N111 W140	W82-T109 HydrophobicContact CH2-CG2 4.37Å; A104-T109 HydrophobicContact CB-CG2 4.25Å; A104-T109 WeakPolarHBondContact O-CG2 3.44Å; L107-T109 PolarHBondContact O-N 3.47Å; T109-N111 PolarHBondContact O-N 3.3Å; T109-W140 HydrophobicContact CG2-CE3 4.34Å; T109-W140 HydrophobicContact CG2-CZ3 4.28Å
110	P	92.3	Very high	91.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	19%	0.187	C	C	.	.			trans	-65.3	134.7	172.4	28.8	-32.6	0	0	0	109.3	V53 W82 W108 I112	V53-P110 HydrophobicContact CG1-CG 3.94Å; V53-P110 HydrophobicContact CG2-CB 3.98Å; V53-P110 HydrophobicContact CG2-CG 4.03Å; W82-P110 HydrophobicContact CE3-CG 4.28Å; W82-P110 HydrophobicContact CZ3-CG 4.5Å; W108-P110 HydrophobicContact CH2-CB 3.93Å; W108-P110 HydrophobicContact CZ3-CB 4.21Å; W108-P110 HydrophobicContact CZ3-CG 4.38Å; P110-I112 HydrophobicContact CB-CD1 4.06Å; P110-I112 HydrophobicContact CB-CG1 4.13Å; P110-I112 HydrophobicContact CG-CG1 4.25Å; P110-I112 PolarHBondContact O-N 3.15Å
111	N	89.1	Confident	91	Very high	43 Å²	43	38.6 Å²	38.6	23%	0.23	21%	0.212	C	C	.	.			trans	-82.9	63.3	-178	64.1	-28.4	0	0	0	111.6	T109 V113 S170 W171 T172 Y173	T109-N111 PolarHBondContact O-N 3.3Å; N111-V113 PolarHBondContact O-N 2.95Å; N111-S170 PolarHBondContact OD1-OG 3.26Å; N111-W171 PolarHBondContact O-N 3.07Å; N111-T172 WeakPolarHBondContact ND2-CB 3.21Å; N111-T172 PolarHBondContact ND2-N 3.1Å; N111-T172 PolarHBondContact ND2-OG1 3.43Å; N111-Y173 WeakPolarHBondContact OD1-CD2 3.19Å
112	I	92.5	Very high	90.4	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.1	177	-50.1	-54.5	0	0	0	109	P110 F168 G169 L180	P110-I112 HydrophobicContact CB-CD1 4.06Å; P110-I112 HydrophobicContact CB-CG1 4.13Å; P110-I112 HydrophobicContact CG-CG1 4.25Å; P110-I112 PolarHBondContact O-N 3.15Å; I112-F168 HydrophobicContact CG2-CB 3.98Å; I112-F168 HydrophobicContact CG2-CD1 4.02Å; I112-F168 HydrophobicContact CG2-CG 4.41Å; I112-G169 WeakPolarHBondContact CA-O 3.43Å; I112-L180 HydrophobicContact CD1-CD1 4.07Å; I112-L180 HydrophobicContact CD1-CD2 3.45Å; I112-L180 VanDerWaalsContact CD1-CD2 3.45Å; I112-L180 HydrophobicContact CD1-CG 4.42Å
113	V	92.8	Very high	89.6	Confident	16 Å²	16	45.7 Å²	45.7	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.5	-179.3	-61	0	0	0	0	110.6	N111 Y115 F168 G169 W171	N111-V113 PolarHBondContact O-N 2.95Å; V113-Y115 HydrophobicContact CG2-CD1 3.83Å; V113-Y115 HydrophobicContact CG2-CE1 3.68Å; V113-F168 WeakPolarHBondContact O-CA 3.37Å; V113-G169 PolarHBondContact N-O 2.87Å; V113-G169 PolarHBondContact O-N 3.49Å; V113-W171 HydrophobicContact CG1-CB 4.37Å; V113-W171 HydrophobicContact CG2-CB 3.78Å; V113-W171 HydrophobicContact CG2-CD2 4.34Å; V113-W171 HydrophobicContact CG2-CE3 3.77Å; V113-W171 HydrophobicContact CG2-CG 4.4Å
114	L	93.9	Very high	88.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	116.3	171.6	-179.2	71.8	0	0	0	109.3	N116 N117 Y122 Y146 L166 K167 F168	L114-N116 WeakPolarHBondContact CD1-OD1 3.33Å; L114-N117 HydrophobicContact CB-CB 4.35Å; L114-N117 HydrophobicContact CD2-CB 4.04Å; L114-N117 HydrophobicContact CG-CB 4.24Å; L114-N117 WeakPolarHBondContact O-CB 3.04Å; L114-Y122 WeakPolarHBondContact O-CD1 3.36Å; L114-Y122 WeakPolarHBondContact O-CE1 3.33Å; L114-Y146 HydrophobicContact CB-CD1 4.09Å; L114-Y146 HydrophobicContact CB-CE1 4.09Å; L114-Y146 HydrophobicContact CD2-CD1 3.64Å; L114-Y146 HydrophobicContact CD2-CE1 4.46Å; L114-Y146 HydrophobicContact CD2-CG 4.08Å; L114-Y146 HydrophobicContact CG-CD1 4.48Å; L114-L166 HydrophobicContact CD1-CB 4.07Å; L114-L166 HydrophobicContact CD1-CD2 3.95Å; L114-L166 HydrophobicContact CD2-CD2 4.28Å; L114-K167 WeakPolarHBondContact CA-O 3.01Å; L114-F168 HydrophobicContact CB-CD1 4.34Å; L114-F168 HydrophobicContact CB-CE1 4.01Å; L114-F168 HydrophobicContact CD1-CD2 4.4Å; L114-F168 HydrophobicContact CD1-CE1 4.27Å; L114-F168 HydrophobicContact CD1-CE2 4.13Å; L114-F168 HydrophobicContact CD1-CZ 4.06Å
115	Y	93	Very high	87.8	Confident	47 Å²	47	50 Å²	50	18%	0.184	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-44.2	-177.8	-69.6	-10.2	0	0	0	112.6	V113 N117 K167 S170 W171 D239	V113-Y115 HydrophobicContact CG2-CD1 3.83Å; V113-Y115 HydrophobicContact CG2-CE1 3.68Å; Y115-N117 PolarHBondContact O-N 2.93Å; Y115-N117 VanDerWaalsContact O-N 3.11Å; Y115-K167 HydrophobicContact CD2-CD 3.9Å; Y115-K167 HydrophobicContact CD2-CG 4Å; Y115-K167 HydrophobicContact CG-CG 4.49Å; Y115-K167 PolarHBondContact N-O 3.26Å; Y115-S170 PolarHBondContact OH-O 3.15Å; Y115-W171 HydrophobicContact CD1-CE3 4.14Å; Y115-W171 HydrophobicContact CD1-CZ3 4.22Å; Y115-W171 AromaticContact CE1-CE3 3.9Å; Y115-W171 HydrophobicContact CE1-CE3 3.9Å; Y115-W171 HydrophobicContact CE1-CZ3 4.34Å; Y115-D239 HydrophobicContact CE2-CB 4.42Å
116	N	94	Very high	87.2	Confident	28 Å²	28	48 Å²	48	15%	0.15	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	39.2	179.7	64.7	-37.1	0	0	0	112.9	L114 S148 M149 D165 K167	L114-N116 WeakPolarHBondContact CD1-OD1 3.33Å; N116-S148 CarbonylContact O-C 3.48Å; N116-S148 VanDerWaalsContact O-CA 3.26Å; N116-S148 WeakPolarHBondContact O-CA 3.19Å; N116-M149 PolarHBondContact ND2-O 3.41Å; N116-M149 PolarHBondContact O-N 2.97Å; N116-D165 PolarHBondContact ND2-O 3.33Å; N116-K167 PolarHBondContact OD1-N 3.05Å; N116-K167 VanDerWaalsContact OD1-N 3.09Å
117	N	92.9	Very high	86.7	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.043	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-77.7	133.1	-179.8	-178.3	21.6	0	0	0	112.4	L114 Y115 D119 K121 Y122 K147	L114-N117 HydrophobicContact CB-CB 4.35Å; L114-N117 HydrophobicContact CD2-CB 4.04Å; L114-N117 HydrophobicContact CG-CB 4.24Å; L114-N117 WeakPolarHBondContact O-CB 3.04Å; Y115-N117 PolarHBondContact O-N 2.93Å; Y115-N117 VanDerWaalsContact O-N 3.11Å; N117-D119 PolarHBondContact OD1-N 2.85Å; N117-D119 VanDerWaalsContact OD1-N 3.08Å; N117-K121 PolarHBondContact ND2-O 2.98Å; N117-Y122 HydrophobicContact CB-CD1 4.02Å; N117-Y122 HydrophobicContact CB-CE1 3.71Å; N117-K147 PolarHBondContact OD1-O 2.86Å; N117-K147 VanDerWaalsContact OD1-O 3.05Å
118	A	90.5	Very high	86.7	Confident	32 Å²	32	51.6 Å²	51.6	26%	0.264	28%	0.28	S	S	.	.	S	Bend	trans	-98.7	-14.6	178.8	0	0	0	0	0	114.5	I71 K147 M149	I71-A118 HydrophobicContact CD1-CB 3.71Å; I71-A118 HydrophobicContact CG1-CB 3.71Å; I71-A118 HydrophobicContact CG2-CB 4.23Å; A118-K147 HydrophobicContact CB-CB 4.4Å; A118-K147 PolarHBondContact N-O 3.24Å; A118-M149 HydrophobicContact CB-CE 4.23Å; A118-M149 HydrophobicContact CB-CG 3.86Å
119	D	82.9	Confident	86.6	Confident	64 Å²	64	58 Å²	58	34%	0.342	31%	0.308	S	S	.	.	S	Bend	trans	-84.8	-9.7	-175.1	-155.9	50.9	0	0	0	113.8	N117 K121 K147	N117-D119 PolarHBondContact OD1-N 2.85Å; N117-D119 VanDerWaalsContact OD1-N 3.08Å; D119-K121 PolarHBondContact O-N 3.47Å; D119-K147 HydrophobicContact CB-CB 4.22Å; D119-K147 HydrophobicContact CB-CD 4.07Å; D119-K147 HydrophobicContact CB-CG 4.45Å; D119-K147 IonicContact OD1-NZ 3.21Å; D119-K147 PolarHBondContact OD1-NZ 3.49Å
120	G	79.9	Confident	86.7	Confident	53 Å²	53	55.6 Å²	55.6	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	72.5	-3.3	-174.6	0	0	0	0	0	115
121	K	81.9	Confident	86.9	Confident	136 Å²	136	58.2 Å²	58.2	59%	0.591	31%	0.307	S	S	*	.			trans	-105.6	106.1	176.2	-65.7	178.8	-175.4	171.4	0	110.7	N117 D119	N117-K121 PolarHBondContact ND2-O 2.98Å; D119-K121 PolarHBondContact O-N 3.47Å
122	Y	79.9	Confident	87.2	Confident	97 Å²	97	56.3 Å²	56.3	38%	0.38	30%	0.297	S	S	.	.			trans	-89.4	-14.8	-175.9	-64.3	-85.9	0	0	0	114.2	L114 N117	L114-Y122 WeakPolarHBondContact O-CD1 3.36Å; L114-Y122 WeakPolarHBondContact O-CE1 3.33Å; N117-Y122 HydrophobicContact CB-CD1 4.02Å; N117-Y122 HydrophobicContact CB-CE1 3.71Å
123	Q	75.5	Confident	87.4	Confident	171 Å²	171	59 Å²	59	80%	0.799	31%	0.309	S	S	*	.	S	Bend	trans	-86.8	150.4	179.4	-66.9	-177.3	-3.1	0	0	111.5	N125	Q123-N125 PolarHBondContact O-N 3.43Å
124	V	77.2	Confident	87.5	Confident	27 Å²	27	61.9 Å²	61.9	16%	0.164	32%	0.321	C	S	.	.			trans	-68.2	128.1	177.9	-177.4	0	0	0	0	110.3	A126 P142 A144	V124-A126 VanDerWaalsContact C-N 3.31Å; V124-A126 PolarHBondContact O-N 3.44Å; V124-P142 HydrophobicContact CG1-CB 3.71Å; V124-P142 HydrophobicContact CG1-CG 4.03Å; V124-A144 HydrophobicContact CG1-CB 4.11Å
125	N	71.8	Confident	87.6	Confident	101 Å²	101	65.6 Å²	65.6	54%	0.54	34%	0.341	S	S	.	.	S	Bend	trans	-64.9	-30.1	-173.8	-70.9	-26.5	0	0	0	114.1	Q123	Q123-N125 PolarHBondContact O-N 3.43Å
126	A	77.3	Confident	87.6	Confident	39 Å²	39	63.4 Å²	63.4	32%	0.322	33%	0.332	S	S	.	.			trans	-121.5	103.2	-175.5	0	0	0	0	0	111	V124 T128 P143	V124-A126 VanDerWaalsContact C-N 3.31Å; V124-A126 PolarHBondContact O-N 3.44Å; A126-T128 PolarHBondContact O-N 2.87Å; A126-P143 HydrophobicContact CB-CG 4.18Å
127	I	82.3	Confident	87.7	Confident	115 Å²	115	63.5 Å²	63.5	59%	0.59	33%	0.334	S	S	*	.			trans	-75.4	106	171.7	-56.9	176.5	0	0	0	108.2	A104 D105	A104-I127 HydrophobicContact CB-CG2 4.15Å; D105-I127 HydrophobicContact CB-CG2 4.27Å
128	T	92.4	Very high	87.9	Confident	42 Å²	42	63.1 Å²	63.1	26%	0.258	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-93.3	172.1	175.8	59.1	0	0	0	0	111.5	A104 A126 W140 P143	A104-T128 VanDerWaalsContact CB-O 3.27Å; A104-T128 WeakPolarHBondContact CB-O 3.33Å; A104-T128 PolarHBondContact N-O 3.48Å; A126-T128 PolarHBondContact O-N 2.87Å; T128-W140 PolarHBondContact OG1-NE1 3.34Å; T128-W140 VanDerWaalsContact OG1-NE1 3.13Å; T128-P143 HydrophobicContact CG2-CG 4.44Å
129	K	93.6	Very high	88.2	Confident	137 Å²	137	62.3 Å²	62.3	60%	0.596	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.1	170	-61.9	-177.7	-177.6	-179.6	0	109.7	H101 V102	H101-K129 HydrophobicContact CB-CD 4.28Å; V102-K129 CarbonylContact O-C 3.56Å; V102-K129 WeakPolarHBondContact O-CA 3.45Å
130	A	95.3	Very high	88.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	150.6	168	0	0	0	0	0	110.7	H101 V102 L107 V138 W140	H101-A130 WeakPolarHBondContact CA-O 3.49Å; V102-A130 PolarHBondContact N-O 3.44Å; V102-A130 PolarHBondContact O-N 3.19Å; L107-A130 HydrophobicContact CD1-CB 4.05Å; A130-V138 HydrophobicContact CB-CG1 3.86Å; A130-W140 HydrophobicContact CB-CB 4.07Å; A130-W140 HydrophobicContact CB-CG 4.27Å
131	L	95.9	Very high	89.5	Confident	59 Å²	59	60.5 Å²	60.5	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.5	171.3	-77.3	161.7	0	0	0	108.2	V99 H101 V138 V139	V99-L131 HydrophobicContact CG1-CD2 3.6Å; H101-L131 WeakPolarHBondContact CE1-CD2 3.39Å; L131-V138 CarbonylContact O-C 3.59Å; L131-V138 WeakPolarHBondContact O-CA 3.32Å; L131-V139 HydrophobicContact CB-CB 4.19Å; L131-V139 PolarHBondContact N-O 3.21Å; L131-V139 PolarHBondContact O-N 3.27Å
132	V	96.1	Very high	90	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.7	175.7	-172.2	0	0	0	0	107.9	L87 W89 V99 L100 V102 L107 V138	L87-V132 HydrophobicContact CB-CG1 3.91Å; L87-V132 HydrophobicContact CD1-CG1 4.15Å; L87-V132 HydrophobicContact CD1-CG2 4.47Å; W89-V132 HydrophobicContact CH2-CB 4.34Å; W89-V132 HydrophobicContact CH2-CG1 3.98Å; W89-V132 WeakPolarHBondContact CH2-O 3.17Å; W89-V132 HydrophobicContact CZ3-CB 4.48Å; W89-V132 HydrophobicContact CZ3-CG1 3.68Å; V99-V132 CarbonylContact C-O 3.58Å; V99-V132 WeakPolarHBondContact CA-O 3.17Å; L100-V132 PolarHBondContact N-O 3.33Å; L100-V132 PolarHBondContact O-N 2.99Å; V102-V132 HydrophobicContact CB-CG2 4.17Å; V102-V132 HydrophobicContact CG2-CG2 3.88Å; L107-V132 HydrophobicContact CD1-CG2 3.83Å; V132-V138 HydrophobicContact CG1-CG2 4.32Å; V132-V138 HydrophobicContact CG2-CG1 4.38Å; V132-V138 HydrophobicContact CG2-CG2 4.36Å
133	H	96.5	Very high	90.7	Very high	63 Å²	63	50.9 Å²	50.9	29%	0.292	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	152.4	173.9	-69.1	-92.4	0	0	0	110.9	W89 N135 G136 T137	W89-H133 WeakPolarHBondContact CZ3-O 3.44Å; H133-N135 WeakPolarHBondContact CB-OD1 3.43Å; H133-N135 PolarHBondContact O-N 3.41Å; H133-G136 PolarHBondContact O-N 3.23Å; H133-T137 WeakPolarHBondContact CB-O 3.3Å; H133-T137 PolarHBondContact CD2-O 3.37Å; H133-T137 PolarHBondContact N-O 3.41Å
134	H	94.9	Very high	91.4	Very high	78 Å²	78	42.9 Å²	42.9	36%	0.361	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.1	-177.3	74.3	88.6	0	0	0	114.9	W89 P91 D98 G136	W89-H134 HydrophobicContact CD2-CB 3.98Å; W89-H134 HydrophobicContact CG-CB 4.41Å; W89-H134 HydrophobicContact CH2-CB 4.38Å; W89-H134 VanDerWaalsContact CZ2-CA 3.47Å; W89-H134 HydrophobicContact CZ2-CB 3.77Å; W89-H134 PolarHBondContact N-O 2.91Å; P91-H134 HydrophobicContact CG-CB 3.72Å; D98-H134 PolarHBondContact O-N 2.86Å; H134-G136 PolarHBondContact O-N 2.93Å
135	N	95	Very high	92	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-1.1	176.9	70.3	-15.6	0	0	0	113.5	K88 H133 T137	K88-N135 VanDerWaalsContact CE-O 3.22Å; K88-N135 WeakPolarHBondContact CE-O 3.38Å; H133-N135 WeakPolarHBondContact CB-OD1 3.43Å; H133-N135 PolarHBondContact O-N 3.41Å; N135-T137 PolarHBondContact ND2-OG1 3.08Å; N135-T137 VanDerWaalsContact OD1-CB 3.28Å; N135-T137 WeakPolarHBondContact OD1-CB 3.42Å; N135-T137 PolarHBondContact OD1-N 3.3Å; N135-T137 PolarHBondContact OD1-OG1 3.45Å; N135-T137 VanDerWaalsContact OD1-OG1 3.12Å
136	G	93.7	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.5	-0.6	-176.2	0	0	0	0	0	114.4	T83 D84 L87 H133 H134 V138	T83-G136 CarbonylContact C-O 3.6Å; T83-G136 WeakPolarHBondContact CA-O 3.46Å; D84-G136 PolarHBondContact N-O 3.21Å; D84-G136 WeakPolarHBondContact O-CA 3.42Å; L87-G136 WeakPolarHBondContact O-CA 3.4Å; H133-G136 PolarHBondContact O-N 3.23Å; H134-G136 PolarHBondContact O-N 2.93Å; G136-V138 PolarHBondContact O-N 3.26Å
137	T	96.6	Very high	93.8	Very high	31 Å²	31	44.6 Å²	44.6	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.3	175.1	-57.9	0	0	0	0	110	I81 H133 N135 V139	I81-T137 HydrophobicContact CG2-CG2 3.51Å; H133-T137 WeakPolarHBondContact CB-O 3.3Å; H133-T137 PolarHBondContact CD2-O 3.37Å; H133-T137 PolarHBondContact N-O 3.41Å; N135-T137 PolarHBondContact ND2-OG1 3.08Å; N135-T137 VanDerWaalsContact OD1-CB 3.28Å; N135-T137 WeakPolarHBondContact OD1-CB 3.42Å; N135-T137 PolarHBondContact OD1-N 3.3Å; N135-T137 PolarHBondContact OD1-OG1 3.45Å; N135-T137 VanDerWaalsContact OD1-OG1 3.12Å; T137-V139 HydrophobicContact CG2-CG2 4.36Å
138	V	97	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.4	175.9	-173.8	0	0	0	0	108.5	I81 W82 D84 L87 L107 A130 L131 V132 G136	I81-V138 VanDerWaalsContact CA-O 3.29Å; I81-V138 WeakPolarHBondContact CA-O 3.32Å; W82-V138 HydrophobicContact CD2-CB 4.01Å; W82-V138 HydrophobicContact CD2-CG1 4.42Å; W82-V138 HydrophobicContact CE3-CB 4.46Å; W82-V138 HydrophobicContact CH2-CB 4.25Å; W82-V138 HydrophobicContact CH2-CG1 3.59Å; W82-V138 HydrophobicContact CZ2-CB 3.77Å; W82-V138 HydrophobicContact CZ2-CG1 3.36Å; W82-V138 HydrophobicContact CZ2-CG2 4.37Å; W82-V138 HydrophobicContact CZ3-CG1 4.2Å; W82-V138 PolarHBondContact N-O 3.15Å; W82-V138 VanDerWaalsContact N-O 3.14Å; W82-V138 PolarHBondContact O-N 3.4Å; D84-V138 HydrophobicContact CB-CG2 4.18Å; L87-V138 HydrophobicContact CD1-CG2 3.74Å; L107-V138 HydrophobicContact CD1-CG1 4.15Å; A130-V138 HydrophobicContact CB-CG1 3.86Å; L131-V138 CarbonylContact O-C 3.59Å; L131-V138 WeakPolarHBondContact O-CA 3.32Å; V132-V138 HydrophobicContact CG1-CG2 4.32Å; V132-V138 HydrophobicContact CG2-CG1 4.38Å; V132-V138 HydrophobicContact CG2-CG2 4.36Å; G136-V138 PolarHBondContact O-N 3.26Å
139	V	96.6	Very high	94.5	Very high	15 Å²	15	42.2 Å²	42.2	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.5	175.2	-179.5	0	0	0	0	108.2	I81 L131 T137 E141	I81-V139 HydrophobicContact CD1-CG2 4.27Å; I81-V139 HydrophobicContact CG1-CG1 4.28Å; I81-V139 HydrophobicContact CG1-CG2 4.11Å; I81-V139 HydrophobicContact CG2-CG2 4.09Å; L131-V139 HydrophobicContact CB-CB 4.19Å; L131-V139 PolarHBondContact N-O 3.21Å; L131-V139 PolarHBondContact O-N 3.27Å; T137-V139 HydrophobicContact CG2-CG2 4.36Å; V139-E141 HydrophobicContact CG1-CG 4.04Å
140	W	95.5	Very high	94.5	Very high	19 Å²	19	35.7 Å²	35.7	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.9	178.3	-175	43.9	0	0	0	110.1	Q80 W82 A104 T109 T128 A130 P142	Q80-W140 PolarHBondContact N-O 3.45Å; Q80-W140 PolarHBondContact O-N 3.44Å; W82-W140 HydrophobicContact CH2-CB 3.81Å; W82-W140 HydrophobicContact CH2-CE3 4.45Å; W82-W140 HydrophobicContact CZ3-CB 3.76Å; A104-W140 HydrophobicContact CB-CD2 4.19Å; A104-W140 HydrophobicContact CB-CG 4.36Å; A104-W140 HydrophobicContact CB-CZ2 4.02Å; T109-W140 HydrophobicContact CG2-CE3 4.34Å; T109-W140 HydrophobicContact CG2-CZ3 4.28Å; T128-W140 PolarHBondContact OG1-NE1 3.34Å; T128-W140 VanDerWaalsContact OG1-NE1 3.13Å; A130-W140 HydrophobicContact CB-CB 4.07Å; A130-W140 HydrophobicContact CB-CG 4.27Å; W140-P142 HydrophobicContact CD2-CG 4.03Å; W140-P142 HydrophobicContact CE3-CG 4.32Å; W140-P142 HydrophobicContact CH2-CG 4.02Å; W140-P142 HydrophobicContact CZ2-CB 3.91Å; W140-P142 HydrophobicContact CZ2-CG 3.68Å; W140-P142 HydrophobicContact CZ3-CG 4.32Å
141	E	93.7	Very high	94.4	Very high	59 Å²	59	40 Å²	40	28%	0.276	20%	0.202	S	C	.	.			trans	-128.3	70.7	-174.7	-54.6	-171.2	175.9	0	0	110.6	I78 K79 V139	I78-E141 WeakPolarHBondContact O-CA 3.26Å; K79-E141 HydrophobicContact CB-CG 3.93Å; K79-E141 WeakPolarHBondContact CD-OE1 3.35Å; K79-E141 WeakPolarHBondContact CE-OE1 3.4Å; K79-E141 HydrophobicContact CG-CG 3.87Å; K79-E141 VanDerWaalsContact CG-OE1 3.27Å; K79-E141 WeakPolarHBondContact CG-OE1 3.33Å; K79-E141 IonicContact NZ-OE1 3.22Å; K79-E141 PolarHBondContact NZ-OE1 3.01Å; V139-E141 HydrophobicContact CG1-CG 4.04Å
142	P	94.1	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.			trans	-75.9	141	178	32.9	-38.8	0	0	0	111.7	I78 V124 W140	I78-P142 PolarHBondContact N-O 3.35Å; I78-P142 VanDerWaalsContact O-CD 3.28Å; I78-P142 WeakPolarHBondContact O-CD 3.35Å; V124-P142 HydrophobicContact CG1-CB 3.71Å; V124-P142 HydrophobicContact CG1-CG 4.03Å; W140-P142 HydrophobicContact CD2-CG 4.03Å; W140-P142 HydrophobicContact CE3-CG 4.32Å; W140-P142 HydrophobicContact CH2-CG 4.02Å; W140-P142 HydrophobicContact CZ2-CB 3.91Å; W140-P142 HydrophobicContact CZ2-CG 3.68Å; W140-P142 HydrophobicContact CZ3-CG 4.32Å
143	P	93.1	Very high	93.9	Very high	32 Å²	32	40.9 Å²	40.9	21%	0.208	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.3	168.9	31.9	-31.7	0	0	0	110.3	W77 A126 T128	W77-P143 HydrophobicContact CD2-CB 3.97Å; W77-P143 HydrophobicContact CE3-CB 3.92Å; W77-P143 HydrophobicContact CE3-CG 4.37Å; W77-P143 HydrophobicContact CH2-CB 3.99Å; W77-P143 HydrophobicContact CH2-CG 4.12Å; W77-P143 HydrophobicContact CZ2-CB 4.03Å; W77-P143 HydrophobicContact CZ3-CB 3.93Å; W77-P143 HydrophobicContact CZ3-CG 3.98Å; A126-P143 HydrophobicContact CB-CG 4.18Å; T128-P143 HydrophobicContact CG2-CG 4.44Å
144	A	90.9	Very high	93.7	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.3	-179.6	0	0	0	0	0	111.9	I76 V124 Y146	I76-A144 PolarHBondContact N-O 3.06Å; I76-A144 PolarHBondContact O-N 3.41Å; V124-A144 HydrophobicContact CG1-CB 4.11Å; A144-Y146 HydrophobicContact CB-CD2 3.92Å; A144-Y146 HydrophobicContact CB-CE2 3.32Å
145	F	90.5	Very high	93.4	Very high	118 Å²	118	37.3 Å²	37.3	52%	0.518	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.2	165.2	-62.1	-72.6	0	0	0	107.9	L63 T74 N75	L63-F145 HydrophobicContact CD1-CD1 3.53Å; L63-F145 HydrophobicContact CD1-CE1 3.75Å; T74-F145 WeakPolarHBondContact O-CA 3.45Å; N75-F145 HydrophobicContact CB-CD1 3.97Å; N75-F145 HydrophobicContact CB-CE1 3.81Å
146	Y	92.4	Very high	93.2	Very high	8 Å²	8	36.5 Å²	36.5	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.6	175.9	-74.9	-68.5	0	0	0	110.5	T73 T74 I76 I78 L114 A144 F168	T73-Y146 WeakPolarHBondContact CA-O 3.39Å; T74-Y146 PolarHBondContact N-O 3.24Å; T74-Y146 PolarHBondContact O-N 3.46Å; I76-Y146 HydrophobicContact CB-CD2 4.49Å; I78-Y146 HydrophobicContact CD1-CE2 3.43Å; I78-Y146 VanDerWaalsContact CD1-CE2 3.43Å; I78-Y146 WeakPolarHBondContact CD1-OH 3.33Å; I78-Y146 HydrophobicContact CG1-CE2 4.08Å; L114-Y146 HydrophobicContact CB-CD1 4.09Å; L114-Y146 HydrophobicContact CB-CE1 4.09Å; L114-Y146 HydrophobicContact CD2-CD1 3.64Å; L114-Y146 HydrophobicContact CD2-CE1 4.46Å; L114-Y146 HydrophobicContact CD2-CG 4.08Å; L114-Y146 HydrophobicContact CG-CD1 4.48Å; A144-Y146 HydrophobicContact CB-CD2 3.92Å; A144-Y146 HydrophobicContact CB-CE2 3.32Å; Y146-F168 HydrophobicContact CD2-CZ 4.01Å; Y146-F168 HydrophobicContact CE1-CE1 4.19Å; Y146-F168 AromaticContact CE2-CE1 3.95Å; Y146-F168 HydrophobicContact CE2-CE1 3.95Å; Y146-F168 AromaticContact CE2-CZ 3.8Å; Y146-F168 HydrophobicContact CE2-CZ 3.8Å; Y146-F168 HydrophobicContact CG-CZ 4.47Å; Y146-F168 AromaticContact CZ-CE1 3.77Å
147	K	93.9	Very high	92.9	Very high	77 Å²	77	36.8 Å²	36.8	34%	0.335	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107	164.6	-65.6	-174.9	-170.6	160.8	0	107.5	I71 I72 T73 N117 A118 D119	I71-K147 HydrophobicContact CG2-CB 3.75Å; I71-K147 HydrophobicContact CG2-CD 4.43Å; I71-K147 HydrophobicContact CG2-CG 4.26Å; I72-K147 CarbonylContact O-C 3.6Å; I72-K147 VanDerWaalsContact O-CA 3.28Å; I72-K147 WeakPolarHBondContact O-CA 3.43Å; T73-K147 HydrophobicContact CG2-CG 4.2Å; N117-K147 PolarHBondContact OD1-O 2.86Å; N117-K147 VanDerWaalsContact OD1-O 3.05Å; A118-K147 HydrophobicContact CB-CB 4.4Å; A118-K147 PolarHBondContact N-O 3.24Å; D119-K147 HydrophobicContact CB-CB 4.22Å; D119-K147 HydrophobicContact CB-CD 4.07Å; D119-K147 HydrophobicContact CB-CG 4.45Å; D119-K147 IonicContact OD1-NZ 3.21Å; D119-K147 PolarHBondContact OD1-NZ 3.49Å
148	S	94.3	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	150	175.5	73.4	0	0	0	0	111.5	I71 I72 N116 C150 D165 L166	I71-S148 CarbonylContact C-O 3.55Å; I71-S148 VanDerWaalsContact CA-O 3.32Å; I71-S148 WeakPolarHBondContact CA-O 3.39Å; I72-S148 WeakPolarHBondContact CG2-OG 3.5Å; I72-S148 PolarHBondContact N-O 3.39Å; I72-S148 PolarHBondContact O-N 2.9Å; N116-S148 CarbonylContact O-C 3.48Å; N116-S148 VanDerWaalsContact O-CA 3.26Å; N116-S148 WeakPolarHBondContact O-CA 3.19Å; S148-C150 PolarHBondContact O-N 3.02Å; S148-D165 PolarHBondContact OG-O 3.44Å; S148-L166 VanDerWaalsContact OG-CD2 3.3Å; S148-L166 WeakPolarHBondContact OG-CD2 3.42Å
149	M	94.3	Very high	92.2	Very high	106 Å²	106	37.3 Å²	37.3	52%	0.522	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.6	170.4	-61	-179.1	-176.2	0	0	108.1	Q70 N116 A118	Q70-M149 WeakPolarHBondContact O-CA 3.24Å; N116-M149 PolarHBondContact ND2-O 3.41Å; N116-M149 PolarHBondContact O-N 2.97Å; A118-M149 HydrophobicContact CB-CE 4.23Å; A118-M149 HydrophobicContact CB-CG 3.86Å
150	C	94.5	Very high	91.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.181	C	C	.	.			trans	-131.3	111.4	176.7	176.2	0	0	0	0	108.9	Q70 I72 S148 I152 C164	Q70-C150 CarbonylContact C-O 3.57Å; Q70-C150 WeakPolarHBondContact CB-O 3.27Å; Q70-C150 PolarHBondContact O-N 3.22Å; I72-C150 HydrophobicContact CB-CB 4.33Å; I72-C150 HydrophobicContact CG2-CB 3.93Å; S148-C150 PolarHBondContact O-N 3.02Å; C150-I152 PolarHBondContact O-N 3.29Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.48Å; C150-C164 WeakPolarHBondContact SG-CA 3.29Å; C150-C164 WeakPolarHBondContact SG-CB 3.45Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.3Å
151	P	92.5	Very high	91.7	Very high	89 Å²	89	39.9 Å²	39.9	58%	0.578	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-67.4	117.7	176.7	27.9	-32.2	0	0	0	109.7
152	I	92	Very high	91.7	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.051	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-87.1	125.5	-178.2	-57.8	-55.7	0	0	0	110.3	V65 E67 C150 I154 Q162	V65-I152 HydrophobicContact CG1-CD1 3.93Å; E67-I152 HydrophobicContact CB-CG1 4.48Å; E67-I152 HydrophobicContact CB-CG2 4.36Å; E67-I152 HydrophobicContact CG-CG2 4.19Å; C150-I152 PolarHBondContact O-N 3.29Å; I152-I154 HydrophobicContact CG2-CG2 4.02Å; I152-Q162 HydrophobicContact CD1-CG 4.31Å
153	D	90.8	Very high	91.8	Very high	72 Å²	72	40.7 Å²	40.7	39%	0.385	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-88.2	116	171.4	-172.7	-1.9	0	0	0	110.4	E155 Q162	D153-E155 WeakPolarHBondContact OD1-CB 2.66Å; D153-E155 PolarHBondContact OD1-N 3.49Å; D153-Q162 PolarHBondContact O-NE2 3.11Å
154	I	90.6	Very high	91.9	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.036	19%	0.192	C	C	.	.			trans	-100.4	2.3	-175.9	62.4	174.3	0	0	0	113.4	I152 W156 F157 P304 P311	I152-I154 HydrophobicContact CG2-CG2 4.02Å; I154-W156 PolarHBondContact O-N 3.45Å; I154-W156 VanDerWaalsContact O-N 3.13Å; I154-F157 WeakPolarHBondContact O-CB 3.27Å; I154-F157 PolarHBondContact O-N 3.43Å; I154-P304 HydrophobicContact CG2-CG 3.81Å; I154-P311 HydrophobicContact CB-CB 4.41Å; I154-P311 HydrophobicContact CD1-CG 4.34Å; I154-P311 HydrophobicContact CG1-CB 4.48Å; I154-P311 VanDerWaalsContact O-CA 3.31Å; I154-P311 WeakPolarHBondContact O-CA 3.22Å; I154-P311 WeakPolarHBondContact O-CB 3.31Å
155	E	89.6	Confident	92.1	Very high	59 Å²	59	41.1 Å²	41.1	28%	0.276	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-45.1	-173.4	-176.5	171.4	-151.7	0	0	112.3	D153 I309 L312	D153-E155 WeakPolarHBondContact OD1-CB 2.66Å; D153-E155 PolarHBondContact OD1-N 3.49Å; E155-I309 HydrophobicContact CB-CD1 4.46Å; E155-I309 HydrophobicContact CB-CG2 3.9Å; E155-I309 HydrophobicContact CG-CG2 3.9Å; E155-L312 PolarHBondContact O-N 3.25Å
156	W	89.6	Confident	92.4	Very high	60 Å²	60	35.6 Å²	35.6	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	8.5	-173.8	-58.6	107.3	0	0	0	114.6	I154 F159 L312 Q484 A485 P486	I154-W156 PolarHBondContact O-N 3.45Å; I154-W156 VanDerWaalsContact O-N 3.13Å; W156-F159 WeakPolarHBondContact CB-O 3.34Å; W156-F159 CarbonylContact O-C 3.58Å; W156-F159 VanDerWaalsContact O-CA 3.28Å; W156-F159 WeakPolarHBondContact O-CA 3.36Å; W156-F159 VanDerWaalsContact O-CB 3.31Å; W156-F159 WeakPolarHBondContact O-CB 3.49Å; W156-F159 PolarHBondContact O-N 2.72Å; W156-L312 HydrophobicContact CE3-CD1 4.36Å; W156-L312 HydrophobicContact CE3-CD2 4.24Å; W156-L312 HydrophobicContact CZ3-CD1 3.96Å; W156-L312 HydrophobicContact CZ3-CD2 4.44Å; W156-Q484 HydrophobicContact CH2-CB 3.9Å; W156-Q484 WeakPolarHBondContact CH2-O 3.5Å; W156-Q484 HydrophobicContact CZ3-CB 3.69Å; W156-Q484 WeakPolarHBondContact CZ3-O 3.38Å; W156-A485 HydrophobicContact CE3-CB 4.43Å; W156-P486 VanDerWaalsContact CD2-CD 3.46Å; W156-P486 HydrophobicContact CD2-CG 4.14Å; W156-P486 HydrophobicContact CG-CG 4.24Å
157	F	89	Confident	92.5	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.026	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	132.7	-177.2	-179.1	-88.3	0	0	0	112.7	I154 Y253 L299 I302 P311 I313	I154-F157 WeakPolarHBondContact O-CB 3.27Å; I154-F157 PolarHBondContact O-N 3.43Å; F157-Y253 HydrophobicContact CE1-CD1 4.42Å; F157-Y253 AromaticContact CZ-CD1 3.94Å; F157-Y253 HydrophobicContact CZ-CD1 3.94Å; F157-Y253 AromaticContact CZ-CE1 3.8Å; F157-Y253 HydrophobicContact CZ-CE1 3.8Å; F157-Y253 HydrophobicContact CZ-CG 4.39Å; F157-L299 HydrophobicContact CD1-CD1 4.38Å; F157-L299 HydrophobicContact CE1-CD1 4.17Å; F157-I302 HydrophobicContact CZ-CG2 4.2Å; F157-P311 HydrophobicContact CB-CB 4.37Å; F157-I313 HydrophobicContact CD1-CG2 3.85Å; F157-I313 HydrophobicContact CE1-CG2 4.48Å
158	P	89.3	Confident	92.5	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.026	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.6	11.8	4	38.4	-38.1	0	0	0	114.6	D160 T250 Y253 I258	P158-D160 WeakPolarHBondContact CA-OD1 3.44Å; P158-D160 PolarHBondContact O-N 3.43Å; P158-T250 WeakPolarHBondContact O-CG2 3.4Å; P158-Y253 HydrophobicContact CB-CD2 4.07Å; P158-Y253 HydrophobicContact CB-CG 3.97Å; P158-I258 HydrophobicContact CG-CD1 3.99Å
159	F	88.1	Confident	92.5	Very high	39 Å²	39	33.8 Å²	33.8	17%	0.171	17%	0.17	C	C	.	.	S	Bend	trans	-92.3	39.2	178.8	-62.6	-70.6	0	0	0	111.1	W156 T250 I258 A485 S487	W156-F159 WeakPolarHBondContact CB-O 3.34Å; W156-F159 CarbonylContact O-C 3.58Å; W156-F159 VanDerWaalsContact O-CA 3.28Å; W156-F159 WeakPolarHBondContact O-CA 3.36Å; W156-F159 VanDerWaalsContact O-CB 3.31Å; W156-F159 WeakPolarHBondContact O-CB 3.49Å; W156-F159 PolarHBondContact O-N 2.72Å; F159-T250 HydrophobicContact CD1-CG2 3.51Å; F159-T250 HydrophobicContact CE1-CG2 3.86Å; F159-T250 HydrophobicContact CG-CG2 4.29Å; F159-I258 HydrophobicContact CE2-CD1 3.8Å; F159-I258 HydrophobicContact CZ-CD1 4.01Å; F159-A485 HydrophobicContact CB-CB 4.46Å; F159-A485 HydrophobicContact CD2-CB 4.22Å; F159-A485 HydrophobicContact CG-CB 4.47Å; F159-S487 VanDerWaalsContact CB-OG 3.24Å; F159-S487 WeakPolarHBondContact CB-OG 3.16Å; F159-S487 VanDerWaalsContact CD1-OG 3.24Å; F159-S487 WeakPolarHBondContact CD1-OG 3.34Å
160	D	90.5	Very high	92.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.			trans	-95.2	149.5	-170.7	55.9	-54.6	0	0	0	113.4	P158 Q162 R248	P158-D160 WeakPolarHBondContact CA-OD1 3.44Å; P158-D160 PolarHBondContact O-N 3.43Å; D160-Q162 PolarHBondContact OD2-NE2 3.05Å; D160-R248 PolarHBondContact O-N 3.33Å; D160-R248 WeakPolarHBondContact OD1-CD 3.28Å; D160-R248 IonicContact OD1-CZ 2.8Å; D160-R248 IonicContact OD1-NE 3.87Å; D160-R248 PolarHBondContact OD1-NE 3.4Å; D160-R248 IonicContact OD1-NH2 3.58Å; D160-R248 IonicContact OD2-CZ 3.72Å; D160-R248 IonicContact OD2-NE 3.11Å; D160-R248 PolarHBondContact OD2-NE 3.02Å; D160-R248 IonicContact OD2-NH2 2.9Å; D160-R248 PolarHBondContact OD2-NH2 2.93Å; D160-R248 VanDerWaalsContact OD2-NH2 3.1Å
161	E	91.7	Very high	92.3	Very high	84 Å²	84	36.5 Å²	36.5	39%	0.393	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.6	165.4	-57.5	-161.5	128.8	0	0	108.6	L246 R247 R492	E161-L246 CarbonylContact C-O 3.49Å; E161-L246 VanDerWaalsContact CA-O 3.31Å; E161-L246 WeakPolarHBondContact CA-O 3.43Å; E161-R247 HydrophobicContact CG-CG 4.49Å; E161-R492 IonicContact OE1-CZ 2.7Å; E161-R492 IonicContact OE1-NH2 3.87Å; E161-R492 PolarHBondContact OE1-NH2 3.26Å; E161-R492 IonicContact OE2-NH2 3.13Å; E161-R492 PolarHBondContact OE2-NH2 2.89Å; E161-R492 VanDerWaalsContact OE2-NH2 3.12Å
162	Q	94.5	Very high	92.3	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.3	-179.2	-55.5	-58.3	-26.3	0	0	110.1	I152 D153 D160 W216 L246	I152-Q162 HydrophobicContact CD1-CG 4.31Å; D153-Q162 PolarHBondContact O-NE2 3.11Å; D160-Q162 PolarHBondContact OD2-NE2 3.05Å; Q162-W216 HydrophobicContact CB-CZ3 4.42Å; Q162-W216 HydrophobicContact CG-CH2 3.62Å; Q162-W216 HydrophobicContact CG-CZ3 3.73Å; Q162-L246 HydrophobicContact CB-CB 4.3Å; Q162-L246 PolarHBondContact N-O 2.83Å; Q162-L246 PolarHBondContact O-N 3.48Å
163	L	95	Very high	92.3	Very high	71 Å²	71	37.9 Å²	37.9	37%	0.372	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	102.1	173.7	178.2	57.1	0	0	0	108.8	Y243 Y245	L163-Y243 HydrophobicContact CD1-CD1 3.87Å; L163-Y243 HydrophobicContact CD1-CG 4.35Å; L163-Y243 HydrophobicContact CD2-CD1 4.45Å; L163-Y243 HydrophobicContact CG-CD1 4.23Å; L163-Y245 HydrophobicContact CD1-CD1 3.85Å; L163-Y245 HydrophobicContact CD1-CD2 3.72Å; L163-Y245 HydrophobicContact CD1-CE1 3.61Å; L163-Y245 HydrophobicContact CD1-CE2 3.45Å; L163-Y245 VanDerWaalsContact CD1-CE2 3.45Å; L163-Y245 HydrophobicContact CD1-CG 3.9Å; L163-Y245 VanDerWaalsContact CD1-CZ 3.4Å; L163-Y245 HydrophobicContact CD2-CE1 4.08Å; L163-Y245 HydrophobicContact CG-CE1 4.28Å
164	C	96.4	Very high	92.4	Very high	1 Å²	1	36 Å²	36	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.2	178	-62.8	0	0	0	0	110.9	I72 C150 Y243 I244	I72-C164 HydrophobicContact CD1-CB 3.85Å; I72-C164 HydrophobicContact CG2-CB 4.17Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.48Å; C150-C164 WeakPolarHBondContact SG-CA 3.29Å; C150-C164 WeakPolarHBondContact SG-CB 3.45Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.3Å; C164-Y243 CarbonylContact O-C 3.55Å; C164-I244 PolarHBondContact N-O 3.19Å; C164-I244 PolarHBondContact O-N 3.41Å
165	D	95.6	Very high	92.4	Very high	42 Å²	42	36.2 Å²	36.2	23%	0.225	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.5	177.4	67.8	-59.5	0	0	0	112.7	N116 S148 T241 F242 Y243	N116-D165 PolarHBondContact ND2-O 3.33Å; S148-D165 PolarHBondContact OG-O 3.44Å; D165-T241 HydrophobicContact CB-CG2 3.74Å; D165-F242 CarbonylContact C-O 3.51Å; D165-F242 WeakPolarHBondContact CA-O 3.45Å; D165-Y243 HydrophobicContact CB-CD1 3.83Å; D165-Y243 HydrophobicContact CB-CE1 3.77Å
166	L	95.2	Very high	92.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	100	172.9	-68.2	164.3	0	0	0	107.7	I76 L114 S148 F168 T241 F242 I244	I76-L166 HydrophobicContact CD1-CD1 3.5Å; I76-L166 VanDerWaalsContact CD1-CD1 3.5Å; L114-L166 HydrophobicContact CD1-CB 4.07Å; L114-L166 HydrophobicContact CD1-CD2 3.95Å; L114-L166 HydrophobicContact CD2-CD2 4.28Å; S148-L166 VanDerWaalsContact OG-CD2 3.3Å; S148-L166 WeakPolarHBondContact OG-CD2 3.42Å; L166-F168 HydrophobicContact CB-CD2 4.34Å; L166-F168 HydrophobicContact CB-CE2 3.87Å; L166-F168 PolarHBondContact O-N 3.21Å; L166-T241 WeakPolarHBondContact O-CA 3.32Å; L166-F242 HydrophobicContact CB-CB 4.29Å; L166-F242 PolarHBondContact N-O 3.35Å; L166-F242 PolarHBondContact O-N 2.78Å; L166-I244 HydrophobicContact CD1-CD1 3.84Å
167	K	95.1	Very high	92.7	Very high	45 Å²	45	39.5 Å²	39.5	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	100.7	-174.5	-173	172.7	-169	178.9	0	111.2	L114 Y115 N116 Y230 D239 T241	L114-K167 WeakPolarHBondContact CA-O 3.01Å; Y115-K167 HydrophobicContact CD2-CD 3.9Å; Y115-K167 HydrophobicContact CD2-CG 4Å; Y115-K167 HydrophobicContact CG-CG 4.49Å; Y115-K167 PolarHBondContact N-O 3.26Å; N116-K167 PolarHBondContact OD1-N 3.05Å; N116-K167 VanDerWaalsContact OD1-N 3.09Å; K167-Y230 PolarHBondContact NZ-OH 3.26Å; K167-D239 WeakPolarHBondContact CE-OD1 3.26Å; K167-D239 WeakPolarHBondContact CE-OD2 3.46Å; K167-D239 HydrophobicContact CG-CB 4.22Å; K167-D239 IonicContact NZ-OD1 2.8Å; K167-D239 PolarHBondContact NZ-OD1 3.49Å; K167-D239 VanDerWaalsContact NZ-OD1 3.15Å; K167-D239 IonicContact NZ-OD2 2.86Å; K167-T241 HydrophobicContact CB-CG2 4.47Å
168	F	95.2	Very high	93	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.7	177.9	-72.8	-81.1	0	0	0	111.7	L57 I78 I112 V113 L114 Y146 L166 D239 I240 F242	L57-F168 HydrophobicContact CD1-CD2 4.15Å; L57-F168 HydrophobicContact CD1-CE2 3.61Å; L57-F168 HydrophobicContact CD1-CZ 4.5Å; L57-F168 HydrophobicContact CD2-CE2 4.17Å; L57-F168 HydrophobicContact CG-CE2 4.49Å; I78-F168 HydrophobicContact CD1-CD1 4.37Å; I78-F168 HydrophobicContact CD1-CE1 3.62Å; I78-F168 HydrophobicContact CD1-CZ 3.99Å; I112-F168 HydrophobicContact CG2-CB 3.98Å; I112-F168 HydrophobicContact CG2-CD1 4.02Å; I112-F168 HydrophobicContact CG2-CG 4.41Å; V113-F168 WeakPolarHBondContact O-CA 3.37Å; L114-F168 HydrophobicContact CB-CD1 4.34Å; L114-F168 HydrophobicContact CB-CE1 4.01Å; L114-F168 HydrophobicContact CD1-CD2 4.4Å; L114-F168 HydrophobicContact CD1-CE1 4.27Å; L114-F168 HydrophobicContact CD1-CE2 4.13Å; L114-F168 HydrophobicContact CD1-CZ 4.06Å; Y146-F168 HydrophobicContact CD2-CZ 4.01Å; Y146-F168 HydrophobicContact CE1-CE1 4.19Å; Y146-F168 AromaticContact CE2-CE1 3.95Å; Y146-F168 HydrophobicContact CE2-CE1 3.95Å; Y146-F168 AromaticContact CE2-CZ 3.8Å; Y146-F168 HydrophobicContact CE2-CZ 3.8Å; Y146-F168 HydrophobicContact CG-CZ 4.47Å; Y146-F168 AromaticContact CZ-CE1 3.77Å; L166-F168 HydrophobicContact CB-CD2 4.34Å; L166-F168 HydrophobicContact CB-CE2 3.87Å; L166-F168 PolarHBondContact O-N 3.21Å; F168-D239 CarbonylContact O-C 3.37Å; F168-D239 VanDerWaalsContact O-CA 3.31Å; F168-D239 WeakPolarHBondContact O-CA 3.42Å; F168-D239 WeakPolarHBondContact O-CB 3.48Å; F168-I240 PolarHBondContact N-O 3.18Å; F168-I240 PolarHBondContact O-N 3.4Å; F168-F242 AromaticContact CD2-CD2 3.8Å; F168-F242 HydrophobicContact CD2-CD2 3.8Å; F168-F242 AromaticContact CD2-CE2 3.99Å; F168-F242 HydrophobicContact CD2-CE2 3.99Å; F168-F242 HydrophobicContact CE2-CD2 4.36Å
169	G	94.2	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.3	177.5	0	0	0	0	0	112.3	I112 V113	I112-G169 WeakPolarHBondContact CA-O 3.43Å; V113-G169 PolarHBondContact N-O 2.87Å; V113-G169 PolarHBondContact O-N 3.49Å
170	S	93.8	Very high	93.6	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.6	169.8	178.3	0	0	0	0	109.9	N111 Y115 Y173	N111-S170 PolarHBondContact OD1-OG 3.26Å; Y115-S170 PolarHBondContact OH-O 3.15Å; S170-Y173 WeakPolarHBondContact OG-CB 3.45Å; S170-Y173 PolarHBondContact OG-N 3.06Å; S170-Y173 VanDerWaalsContact OG-N 3.16Å
171	W	90.9	Very high	93.7	Very high	161 Å²	161	39.5 Å²	39.5	61%	0.61	19%	0.19	S	C	*	.	S	Bend	trans	-73.8	-33.3	179.1	-169.8	-101.3	0	0	0	113.8	N111 V113 Y115	N111-W171 PolarHBondContact O-N 3.07Å; V113-W171 HydrophobicContact CG1-CB 4.37Å; V113-W171 HydrophobicContact CG2-CB 3.78Å; V113-W171 HydrophobicContact CG2-CD2 4.34Å; V113-W171 HydrophobicContact CG2-CE3 3.77Å; V113-W171 HydrophobicContact CG2-CG 4.4Å; Y115-W171 HydrophobicContact CD1-CE3 4.14Å; Y115-W171 HydrophobicContact CD1-CZ3 4.22Å; Y115-W171 AromaticContact CE1-CE3 3.9Å; Y115-W171 HydrophobicContact CE1-CE3 3.9Å; Y115-W171 HydrophobicContact CE1-CZ3 4.34Å
172	T	91.3	Very high	93.9	Very high	86 Å²	86	35.7 Å²	35.7	53%	0.528	17%	0.172	S	C	.	.	S	Bend	trans	-107.8	-43.4	-169.1	-57.6	0	0	0	0	111.8	N111	N111-T172 WeakPolarHBondContact ND2-CB 3.21Å; N111-T172 PolarHBondContact ND2-N 3.1Å; N111-T172 PolarHBondContact ND2-OG1 3.43Å
173	Y	92.5	Very high	93.8	Very high	41 Å²	41	39.9 Å²	39.9	16%	0.161	19%	0.188	C	C	.	.			trans	-86.3	135.2	-173	-58.7	-68.8	0	0	0	110	R42 W108 N111 S170 E177 V178 Y237	R42-Y173 HydrophobicContact CG-CD1 4.32Å; R42-Y173 HydrophobicContact CG-CE1 3.65Å; W108-Y173 AromaticContact CZ2-CE2 3.97Å; W108-Y173 HydrophobicContact CZ2-CE2 3.97Å; W108-Y173 AromaticContact NE1-CZ 3.94Å; W108-Y173 PolarHBondContact NE1-OH 2.92Å; W108-Y173 VanDerWaalsContact NE1-OH 3.16Å; N111-Y173 WeakPolarHBondContact OD1-CD2 3.19Å; S170-Y173 WeakPolarHBondContact OG-CB 3.45Å; S170-Y173 PolarHBondContact OG-N 3.06Å; S170-Y173 VanDerWaalsContact OG-N 3.16Å; Y173-E177 HydrophobicContact CD1-CB 4.08Å; Y173-E177 WeakPolarHBondContact CD1-OE2 3.41Å; Y173-E177 HydrophobicContact CG-CB 4.4Å; Y173-V178 VanDerWaalsContact CB-CG2 3.46Å; Y173-V178 HydrophobicContact CD1-CG2 4.43Å; Y173-V178 HydrophobicContact CD2-CG2 3.65Å; Y173-V178 HydrophobicContact CG-CB 4.48Å; Y173-V178 HydrophobicContact CG-CG2 3.6Å; Y173-Y237 WeakPolarHBondContact O-CE1 3.28Å
174	D	92.4	Very high	93.5	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.171	18%	0.178	C	C	.	.			trans	-76.6	176.5	171.9	70.5	26.5	0	0	0	111.5	F176 E177 V178 A235	D174-F176 PolarHBondContact O-N 2.93Å; D174-F176 WeakPolarHBondContact OD1-CA 3.45Å; D174-F176 WeakPolarHBondContact OD1-CB 3.45Å; D174-F176 PolarHBondContact OD1-N 3.46Å; D174-E177 PolarHBondContact O-N 3.27Å; D174-E177 VanDerWaalsContact O-N 3.08Å; D174-E177 WeakPolarHBondContact OD1-CG 3.49Å; D174-E177 PolarHBondContact OD1-N 3.22Å; D174-V178 PolarHBondContact O-N 3.32Å; D174-A235 HydrophobicContact CB-CB 3.58Å; D174-A235 VanDerWaalsContact OD2-CB 3.22Å; D174-A235 WeakPolarHBondContact OD2-CB 3.46Å
175	G	91.5	Very high	92.9	Very high	12 Å²	12	42.8 Å²	42.8	12%	0.124	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.1	-179.9	0	0	0	0	0	115	P236	G175-P236 PolarHBondContact N-O 3.34Å
176	F	91.8	Very high	92.4	Very high	130 Å²	130	48.6 Å²	48.6	57%	0.57	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-20.3	172.4	-57.3	-64.5	0	0	0	112.1	A50 D174 A235 P236	A50-F176 WeakPolarHBondContact CA-O 3.41Å; A50-F176 WeakPolarHBondContact CB-O 3.48Å; D174-F176 PolarHBondContact O-N 2.93Å; D174-F176 WeakPolarHBondContact OD1-CA 3.45Å; D174-F176 WeakPolarHBondContact OD1-CB 3.45Å; D174-F176 PolarHBondContact OD1-N 3.46Å; F176-A235 HydrophobicContact CD2-CB 4.26Å; F176-A235 HydrophobicContact CE2-CB 4.27Å; F176-P236 HydrophobicContact CE2-CG 4.11Å; F176-P236 HydrophobicContact CZ-CG 4.13Å
177	E	93.2	Very high	92	Very high	58 Å²	58	55.6 Å²	55.6	27%	0.271	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-39.3	179.3	-67.4	-162.7	110	0	0	113.2	R42 A50 V51 Y173 D174	R42-E177 IonicContact CZ-OE1 3.76Å; R42-E177 VanDerWaalsContact CZ-OE1 3.3Å; R42-E177 IonicContact NE-OE1 3.89Å; R42-E177 PolarHBondContact NE-OE1 3Å; R42-E177 VanDerWaalsContact NH1-CA 3.34Å; R42-E177 PolarHBondContact NH1-O 2.87Å; R42-E177 IonicContact NH2-OE1 2.8Å; R42-E177 PolarHBondContact NH2-OE1 3.16Å; A50-E177 WeakPolarHBondContact CA-O 3.14Å; V51-E177 PolarHBondContact N-O 3.47Å; Y173-E177 HydrophobicContact CD1-CB 4.08Å; Y173-E177 WeakPolarHBondContact CD1-OE2 3.41Å; Y173-E177 HydrophobicContact CG-CB 4.4Å; D174-E177 PolarHBondContact O-N 3.27Å; D174-E177 VanDerWaalsContact O-N 3.08Å; D174-E177 WeakPolarHBondContact OD1-CG 3.49Å; D174-E177 PolarHBondContact OD1-N 3.22Å
178	V	94.6	Very high	91.5	Very high	3 Å²	3	55 Å²	55	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.4	177.8	172.6	0	0	0	0	109.6	V51 V53 W108 Y173 D174 L180	V51-V178 WeakPolarHBondContact O-CA 3.4Å; V53-V178 HydrophobicContact CG2-CG1 3.93Å; W108-V178 HydrophobicContact CH2-CG2 4.37Å; W108-V178 HydrophobicContact CZ2-CG2 4.41Å; Y173-V178 VanDerWaalsContact CB-CG2 3.46Å; Y173-V178 HydrophobicContact CD1-CG2 4.43Å; Y173-V178 HydrophobicContact CD2-CG2 3.65Å; Y173-V178 HydrophobicContact CG-CB 4.48Å; Y173-V178 HydrophobicContact CG-CG2 3.6Å; D174-V178 PolarHBondContact O-N 3.32Å; V178-L180 HydrophobicContact CG1-CD2 3.64Å; V178-L180 HydrophobicContact CG1-CG 4.36Å
179	D	94.7	Very high	91.1	Very high	37 Å²	37	61.6 Å²	61.6	20%	0.198	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.2	174.9	-179.7	28.5	0	0	0	109.8	A50 V51 T52 V53 R225 I238	A50-D179 HydrophobicContact CB-CB 4.29Å; V51-D179 PolarHBondContact O-N 3.47Å; T52-D179 WeakPolarHBondContact CA-O 3.17Å; V53-D179 PolarHBondContact N-O 2.95Å; D179-R225 IonicContact OD1-CZ 3.22Å; D179-R225 IonicContact OD1-NE 3.12Å; D179-R225 IonicContact OD1-NH2 2.79Å; D179-R225 PolarHBondContact OD1-NH2 3.33Å; D179-I238 HydrophobicContact CB-CD1 4.43Å; D179-I238 WeakPolarHBondContact OD1-CD1 3.41Å
180	L	95.1	Very high	90.7	Very high	2 Å²	2	66 Å²	66	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.7	176.3	-55.7	-175.3	0	0	0	109.9	V53 I112 V178 R225 I238 I240	V53-L180 HydrophobicContact CB-CD2 3.9Å; V53-L180 HydrophobicContact CG1-CD2 4.42Å; V53-L180 HydrophobicContact CG2-CD2 4.49Å; I112-L180 HydrophobicContact CD1-CD1 4.07Å; I112-L180 HydrophobicContact CD1-CD2 3.45Å; I112-L180 VanDerWaalsContact CD1-CD2 3.45Å; I112-L180 HydrophobicContact CD1-CG 4.42Å; V178-L180 HydrophobicContact CG1-CD2 3.64Å; V178-L180 HydrophobicContact CG1-CG 4.36Å; L180-R225 WeakPolarHBondContact O-CD 3.32Å; L180-R225 PolarHBondContact O-NE 3.26Å; L180-I238 HydrophobicContact CB-CG2 3.94Å; L180-I238 WeakPolarHBondContact CD1-O 3.43Å; L180-I240 HydrophobicContact CB-CD1 3.75Å; L180-I240 HydrophobicContact CB-CG1 3.99Å
181	I	94	Very high	90.3	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.6	174.8	58.8	166.7	0	0	0	110.5	T52 V53 K54 V55 K185	T52-I181 HydrophobicContact CG2-CD1 3.36Å; T52-I181 HydrophobicContact CG2-CG1 3.65Å; T52-I181 HydrophobicContact CG2-CG2 4.46Å; V53-I181 PolarHBondContact O-N 3.33Å; K54-I181 CarbonylContact C-O 3.52Å; K54-I181 VanDerWaalsContact CA-O 3.29Å; K54-I181 WeakPolarHBondContact CA-O 3.46Å; K54-I181 HydrophobicContact CB-CG1 4.42Å; K54-I181 HydrophobicContact CD-CD1 4.38Å; K54-I181 HydrophobicContact CG-CD1 3.58Å; K54-I181 HydrophobicContact CG-CG1 3.7Å; V55-I181 PolarHBondContact N-O 3.4Å; I181-K185 HydrophobicContact CD1-CD 4.21Å
182	H	94.6	Very high	90	Very high	3 Å²	3	66.8 Å²	66.8	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	146.6	172.4	-170.5	-103.8	0	0	0	110.5	V55 D184 K185 V201 G204	V55-H182 PolarHBondContact O-CD2 2.92Å; H182-D184 VanDerWaalsContact C-N 3.33Å; H182-D184 IonicContact CE1-OD2 3.69Å; H182-D184 PolarHBondContact ND1-N 2.89Å; H182-D184 VanDerWaalsContact ND1-N 3.14Å; H182-D184 PolarHBondContact O-N 2.81Å; H182-K185 PolarHBondContact O-N 3.42Å; H182-V201 HydrophobicContact CB-CG2 4.38Å; H182-G204 PolarHBondContact NE2-O 2.84Å
183	Y	92	Very high	89.6	Confident	93 Å²	93	66.3 Å²	66.3	37%	0.365	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.3	179	178.8	-91.3	0	0	0	112.6	V55 K56 I81 K185	V55-Y183 PolarHBondContact O-N 3.42Å; K56-Y183 HydrophobicContact CB-CG 4.32Å; K56-Y183 HydrophobicContact CD-CD1 3.78Å; K56-Y183 HydrophobicContact CD-CG 4.02Å; I81-Y183 HydrophobicContact CD1-CD2 3.58Å; I81-Y183 HydrophobicContact CD1-CE2 3.34Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.15Å
184	D	89	Confident	89.1	Confident	29 Å²	29	72.5 Å²	72.5	16%	0.155	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	48.6	177.6	-59.6	-56.2	0	0	0	111.8	K56 H182 D186 K187	K56-D184 IonicContact NZ-OD1 3.64Å; K56-D184 IonicContact NZ-OD2 2.9Å; K56-D184 PolarHBondContact NZ-OD2 2.69Å; H182-D184 VanDerWaalsContact C-N 3.33Å; H182-D184 IonicContact CE1-OD2 3.69Å; H182-D184 PolarHBondContact ND1-N 2.89Å; H182-D184 VanDerWaalsContact ND1-N 3.14Å; H182-D184 PolarHBondContact O-N 2.81Å; D184-D186 PolarHBondContact O-N 3.27Å; D184-D186 VanDerWaalsContact O-N 3.15Å; D184-K187 PolarHBondContact O-N 3.47Å; D184-K187 VanDerWaalsContact O-N 3.11Å
185	K	84.9	Confident	88.5	Confident	104 Å²	104	74.3 Å²	74.3	45%	0.452	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-54.7	-30.3	180	-174.6	-179.5	178.4	176.3	0	113.2	I181 H182 Y183 K187 E188	I181-K185 HydrophobicContact CD1-CD 4.21Å; H182-K185 PolarHBondContact O-N 3.42Å; Y183-K185 PolarHBondContact O-N 3.29Å; Y183-K185 VanDerWaalsContact O-N 3.15Å; K185-K187 PolarHBondContact O-N 2.95Å; K185-E188 WeakPolarHBondContact O-CB 3.39Å; K185-E188 PolarHBondContact O-N 3.33Å
186	D	85.4	Confident	88	Confident	164 Å²	164	80.4 Å²	80.4	88%	0.877	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.9	-177.8	-54.3	-38.4	0	0	0	113.4	D184	D184-D186 PolarHBondContact O-N 3.27Å; D184-D186 VanDerWaalsContact O-N 3.15Å
187	K	85	Confident	87.7	Confident	151 Å²	151	80.6 Å²	80.6	66%	0.657	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-106.6	14.4	179.1	-60.3	-179.2	-177.8	173.8	0	112.7	D184 K185	D184-K187 PolarHBondContact O-N 3.47Å; D184-K187 VanDerWaalsContact O-N 3.11Å; K185-K187 PolarHBondContact O-N 2.95Å
188	E	84.6	Confident	87.4	Confident	31 Å²	31	78.1 Å²	78.1	15%	0.145	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-83.6	124.2	-172.6	-163.8	175.8	-146.3	0	0	110.7	K185 W199 V201	K185-E188 WeakPolarHBondContact O-CB 3.39Å; K185-E188 PolarHBondContact O-N 3.33Å; E188-W199 HydrophobicContact CB-CE3 4.46Å; E188-W199 HydrophobicContact CG-CB 3.59Å; E188-W199 HydrophobicContact CG-CD2 4.35Å; E188-W199 HydrophobicContact CG-CE3 3.72Å; E188-W199 HydrophobicContact CG-CG 4.37Å; E188-W199 WeakPolarHBondContact OE1-CB 3.45Å; E188-V201 HydrophobicContact CB-CG2 4.14Å; E188-V201 HydrophobicContact CG-CG2 4.11Å
189	E	87.5	Confident	87.2	Confident	140 Å²	140	81.6 Å²	81.6	65%	0.654	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.4	175.1	-66.8	-178.7	-177.4	0	0	109.5	I200	E189-I200 PolarHBondContact N-O 3.46Å; E189-I200 PolarHBondContact O-N 3.09Å
190	I	86.1	Confident	87	Confident	94 Å²	94	81.3 Å²	81.3	48%	0.482	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.2	178.5	-50.5	168.8	0	0	0	108.8	M197 W199	I190-M197 HydrophobicContact CG2-CB 4.48Å; I190-W199 HydrophobicContact CD1-CD2 4.49Å; I190-W199 HydrophobicContact CD1-CE3 3.89Å; I190-W199 HydrophobicContact CD1-CH2 3.17Å; I190-W199 HydrophobicContact CD1-CZ2 3.86Å; I190-W199 HydrophobicContact CD1-CZ3 3.2Å; I190-W199 HydrophobicContact CG1-CD2 3.86Å; I190-W199 HydrophobicContact CG1-CE3 3.31Å; I190-W199 HydrophobicContact CG1-CH2 3.63Å; I190-W199 HydrophobicContact CG1-CZ2 4.13Å; I190-W199 HydrophobicContact CG1-CZ3 3.2Å
191	T	86.3	Confident	86.8	Confident	48 Å²	48	81.4 Å²	81.4	29%	0.294	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.4	173.4	62.7	0	0	0	0	110.7	V198 I200	T191-V198 PolarHBondContact N-O 3.03Å; T191-V198 PolarHBondContact O-N 3.35Å; T191-I200 HydrophobicContact CG2-CD1 4.17Å; T191-I200 VanDerWaalsContact OG1-CD1 3.22Å; T191-I200 WeakPolarHBondContact OG1-CD1 3.41Å
192	L	84.1	Confident	86.6	Confident	132 Å²	132	84 Å²	84	69%	0.691	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	101.1	173	-84.4	156.2	0	0	0	108.4	R196 M197	L192-R196 WeakPolarHBondContact CA-O 3.33Å; L192-M197 HydrophobicContact CD2-CG 4.19Å
193	E	82	Confident	86.3	Confident	76 Å²	76	89.1 Å²	89.1	36%	0.355	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.2	172.1	-68.7	-172.6	163.8	0	0	108.8	G195 R196 V198 K224	E193-G195 PolarHBondContact O-N 2.91Å; E193-G195 VanDerWaalsContact O-N 3.09Å; E193-R196 PolarHBondContact N-O 3.29Å; E193-R196 PolarHBondContact O-N 3.49Å; E193-V198 HydrophobicContact CB-CG2 3.96Å; E193-V198 HydrophobicContact CG-CG2 4.44Å; E193-K224 IonicContact OE1-NZ 2.84Å; E193-K224 PolarHBondContact OE1-NZ 3.32Å; E193-K224 IonicContact OE2-NZ 3.3Å; E193-K224 PolarHBondContact OE2-NZ 3Å
194	N	81.7	Confident	86.1	Confident	172 Å²	172	84.7 Å²	84.7	92%	0.92	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.4	179.1	-61.5	-22.3	0	0	0	114.9	R196	N194-R196 VanDerWaalsContact C-N 3.3Å; N194-R196 PolarHBondContact O-N 3.46Å
195	G	80.3	Confident	86.3	Confident	70 Å²	70	84 Å²	84	72%	0.722	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	7.1	-178.9	0	0	0	0	0	115	E193	E193-G195 PolarHBondContact O-N 2.91Å; E193-G195 VanDerWaalsContact O-N 3.09Å
196	R	82.2	Confident	86.7	Confident	139 Å²	139	80.8 Å²	80.8	53%	0.525	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.7	174.5	-60.4	179.3	-176.7	-177.9	-5	110	L192 E193 N194 V198 E228	L192-R196 WeakPolarHBondContact CA-O 3.33Å; E193-R196 PolarHBondContact N-O 3.29Å; E193-R196 PolarHBondContact O-N 3.49Å; N194-R196 VanDerWaalsContact C-N 3.3Å; N194-R196 PolarHBondContact O-N 3.46Å; R196-V198 PolarHBondContact O-N 3.43Å; R196-E228 IonicContact CZ-OE2 2.66Å; R196-E228 IonicContact NH1-OE1 3.65Å; R196-E228 PolarHBondContact NH1-OE1 2.87Å; R196-E228 IonicContact NH1-OE2 2.74Å; R196-E228 PolarHBondContact NH1-OE2 2.81Å
197	M	83.9	Confident	87.1	Confident	134 Å²	134	74.3 Å²	74.3	66%	0.66	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.3	173.6	-67.7	-178.4	-70.9	0	0	108.8	I190 L192	I190-M197 HydrophobicContact CG2-CB 4.48Å; L192-M197 HydrophobicContact CD2-CG 4.19Å
198	V	88	Confident	87.4	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.2	177.4	-177.1	0	0	0	0	108	T191 E193 R196 I200 K224	T191-V198 PolarHBondContact N-O 3.03Å; T191-V198 PolarHBondContact O-N 3.35Å; E193-V198 HydrophobicContact CB-CG2 3.96Å; E193-V198 HydrophobicContact CG-CG2 4.44Å; R196-V198 PolarHBondContact O-N 3.43Å; V198-I200 HydrophobicContact CG1-CG1 4.06Å; V198-K224 HydrophobicContact CG1-CB 3.93Å; V198-K224 HydrophobicContact CG1-CD 3.98Å; V198-K224 HydrophobicContact CG1-CG 4.24Å
199	W	89.5	Confident	87.6	Confident	75 Å²	75	73.8 Å²	73.8	28%	0.284	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.9	179.5	-55.6	75.7	0	0	0	109.4	E188 I190 K224 R225	E188-W199 HydrophobicContact CB-CE3 4.46Å; E188-W199 HydrophobicContact CG-CB 3.59Å; E188-W199 HydrophobicContact CG-CD2 4.35Å; E188-W199 HydrophobicContact CG-CE3 3.72Å; E188-W199 HydrophobicContact CG-CG 4.37Å; E188-W199 WeakPolarHBondContact OE1-CB 3.45Å; I190-W199 HydrophobicContact CD1-CD2 4.49Å; I190-W199 HydrophobicContact CD1-CE3 3.89Å; I190-W199 HydrophobicContact CD1-CH2 3.17Å; I190-W199 HydrophobicContact CD1-CZ2 3.86Å; I190-W199 HydrophobicContact CD1-CZ3 3.2Å; I190-W199 HydrophobicContact CG1-CD2 3.86Å; I190-W199 HydrophobicContact CG1-CE3 3.31Å; I190-W199 HydrophobicContact CG1-CH2 3.63Å; I190-W199 HydrophobicContact CG1-CZ2 4.13Å; I190-W199 HydrophobicContact CG1-CZ3 3.2Å; W199-K224 CarbonylContact O-C 3.55Å; W199-K224 VanDerWaalsContact O-CA 3.25Å; W199-K224 WeakPolarHBondContact O-CA 3.15Å; W199-R225 HydrophobicContact CB-CB 4.16Å; W199-R225 PolarHBondContact O-N 3.09Å
200	I	90.9	Very high	87.9	Confident	31 Å²	31	68.2 Å²	68.2	16%	0.159	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.1	-169.5	-50.8	-174.2	0	0	0	110.3	E189 T191 V198 V223 K224	E189-I200 PolarHBondContact N-O 3.46Å; E189-I200 PolarHBondContact O-N 3.09Å; T191-I200 HydrophobicContact CG2-CD1 4.17Å; T191-I200 VanDerWaalsContact OG1-CD1 3.22Å; T191-I200 WeakPolarHBondContact OG1-CD1 3.41Å; V198-I200 HydrophobicContact CG1-CG1 4.06Å; I200-V223 CarbonylContact C-O 3.53Å; I200-V223 WeakPolarHBondContact CA-O 3.23Å; I200-K224 HydrophobicContact CD1-CD 4.42Å; I200-K224 HydrophobicContact CG1-CD 4.49Å; I200-K224 HydrophobicContact CG1-CG 4.13Å
201	V	91	Very high	88.2	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.3	168.4	-178.2	0	0	0	0	108	H182 E188 N203 P222 V223	H182-V201 HydrophobicContact CB-CG2 4.38Å; E188-V201 HydrophobicContact CB-CG2 4.14Å; E188-V201 HydrophobicContact CG-CG2 4.11Å; V201-N203 PolarHBondContact O-N 2.65Å; V201-P222 CarbonylContact O-C 3.59Å; V201-P222 VanDerWaalsContact O-CA 3.31Å; V201-P222 WeakPolarHBondContact O-CA 3.5Å; V201-V223 PolarHBondContact N-O 3.48Å; V201-V223 PolarHBondContact O-N 2.96Å
202	A	89.2	Confident	88.5	Confident	67 Å²	67	70.3 Å²	70.3	55%	0.554	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.8	-172.8	0	0	0	0	0	113.8	V221 P222	A202-V221 CarbonylContact O-C 3.56Å; A202-P222 VanDerWaalsContact O-CA 3.28Å; A202-P222 WeakPolarHBondContact O-CA 3.25Å
203	N	89.2	Confident	88.8	Confident	111 Å²	111	65.2 Å²	65.2	59%	0.594	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-119.4	71.9	176.6	-69.8	-20.1	0	0	0	109.4	V201	V201-N203 PolarHBondContact O-N 2.65Å
204	G	88.3	Confident	89.2	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.384	C	S	.	.			trans	-92.5	-15.7	-176	0	0	0	0	0	114.6	H182 V221 V223	H182-G204 PolarHBondContact NE2-O 2.84Å; G204-V221 PolarHBondContact N-O 3.28Å; G204-V223 VanDerWaalsContact CA-CG2 3.49Å
205	V	93	Very high	89.6	Confident	14 Å²	14	60.4 Å²	60.4	9%	0.085	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.5	174.1	-176.2	0	0	0	0	110.3	L57 L59 L207 V221 V223 F242	L57-V205 HydrophobicContact CB-CG1 4.4Å; L59-V205 HydrophobicContact CB-CG1 3.78Å; V205-L207 HydrophobicContact CG1-CD2 4.1Å; V205-L207 PolarHBondContact O-N 2.91Å; V205-V221 HydrophobicContact CB-CB 3.81Å; V205-V221 HydrophobicContact CB-CG1 4.3Å; V205-V221 HydrophobicContact CB-CG2 3.89Å; V205-V221 HydrophobicContact CG2-CB 3.87Å; V205-V221 HydrophobicContact CG2-CG1 4.42Å; V205-V221 HydrophobicContact CG2-CG2 4.45Å; V205-V223 HydrophobicContact CG2-CG2 4.46Å; V205-F242 HydrophobicContact CG2-CB 4.39Å; V205-F242 HydrophobicContact CG2-CD1 3.7Å
206	D	93.6	Very high	90.3	Very high	37 Å²	37	57.3 Å²	57.3	20%	0.198	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.4	171.8	-174.4	9.3	0	0	0	110.3	L57 R58 L59 S208	L57-D206 PolarHBondContact O-N 3.39Å; R58-D206 VanDerWaalsContact CA-O 3.29Å; R58-D206 WeakPolarHBondContact CA-O 3.39Å; R58-D206 HydrophobicContact CB-CB 3.94Å; R58-D206 HydrophobicContact CG-CB 4.08Å; R58-D206 WeakPolarHBondContact CG-O 3.22Å; R58-D206 IonicContact CZ-OD2 2.88Å; R58-D206 IonicContact NE-OD2 2.77Å; R58-D206 PolarHBondContact NE-OD2 3.27Å; R58-D206 IonicContact NH2-OD2 3.96Å; R58-D206 PolarHBondContact NH2-OD2 2.94Å; R58-D206 VanDerWaalsContact NH2-OD2 3.13Å; L59-D206 PolarHBondContact N-O 3.49Å; D206-S208 WeakPolarHBondContact OD1-CB 3.42Å; D206-S208 PolarHBondContact OD1-N 3.16Å; D206-S208 VanDerWaalsContact OD1-N 3.13Å; D206-S208 PolarHBondContact OD1-OG 3.04Å
207	L	93.1	Very high	90.8	Very high	27 Å²	27	51.8 Å²	51.8	14%	0.141	30%	0.3	C	S	.	.			trans	-110.7	13.3	-179.7	-61.3	176.5	0	0	0	112.3	L59 V205 D209 F210 I218 V221 L495 V496	L59-L207 HydrophobicContact CB-CD2 3.93Å; L59-L207 HydrophobicContact CD2-CD2 4.02Å; L59-L207 HydrophobicContact CG-CD2 4.46Å; V205-L207 HydrophobicContact CG1-CD2 4.1Å; V205-L207 PolarHBondContact O-N 2.91Å; L207-D209 PolarHBondContact O-N 3.48Å; L207-F210 HydrophobicContact CB-CB 4.15Å; L207-F210 HydrophobicContact CD2-CB 4.3Å; L207-F210 HydrophobicContact CD2-CD2 4.4Å; L207-F210 HydrophobicContact CD2-CG 4.34Å; L207-F210 VanDerWaalsContact O-CB 3.27Å; L207-F210 WeakPolarHBondContact O-CB 3.38Å; L207-F210 PolarHBondContact O-N 2.92Å; L207-F210 VanDerWaalsContact O-N 3.14Å; L207-I218 HydrophobicContact CD1-CG2 4.39Å; L207-I218 HydrophobicContact CD2-CD1 4.28Å; L207-V221 HydrophobicContact CD1-CG1 4.35Å; L207-V221 HydrophobicContact CD1-CG2 3.96Å; L207-V221 HydrophobicContact CG-CG2 4.47Å; L207-L495 HydrophobicContact CD1-CD2 3.68Å; L207-L495 HydrophobicContact CD1-CG 4.38Å; L207-V496 HydrophobicContact CB-CG2 4.27Å; L207-V496 HydrophobicContact CD1-CG2 3.89Å
208	S	91	Very high	91.3	Very high	80 Å²	80	45.6 Å²	45.6	56%	0.559	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.8	-175.1	70.2	0	0	0	0	113.9	D206	D206-S208 WeakPolarHBondContact OD1-CB 3.42Å; D206-S208 PolarHBondContact OD1-N 3.16Å; D206-S208 VanDerWaalsContact OD1-N 3.13Å; D206-S208 PolarHBondContact OD1-OG 3.04Å
209	D	89.6	Confident	91.4	Very high	91 Å²	91	46.4 Å²	46.4	49%	0.487	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	19.9	-176.5	-53.6	-23.7	0	0	0	111.3	R58 L207 L211	R58-D209 WeakPolarHBondContact CD-OD2 3.3Å; R58-D209 IonicContact CZ-OD2 2.84Å; R58-D209 IonicContact NE-OD2 3.56Å; R58-D209 IonicContact NH1-OD2 2.73Å; R58-D209 PolarHBondContact NH1-OD2 2.87Å; L207-D209 PolarHBondContact O-N 3.48Å; D209-L211 PolarHBondContact O-N 2.72Å
210	F	93	Very high	91.6	Very high	23 Å²	23	44.5 Å²	44.5	10%	0.101	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-73.1	123.6	-175.5	179.6	-109.2	0	0	0	111.4	L59 S60 L62 L207 P212 I218 V496	L59-F210 HydrophobicContact CD2-CD2 4.03Å; L59-F210 HydrophobicContact CD2-CE2 3.85Å; L59-F210 HydrophobicContact CG-CD2 3.96Å; L59-F210 HydrophobicContact CG-CE2 4.09Å; S60-F210 WeakPolarHBondContact O-CA 3.47Å; L62-F210 HydrophobicContact CB-CE2 4.44Å; L207-F210 HydrophobicContact CB-CB 4.15Å; L207-F210 HydrophobicContact CD2-CB 4.3Å; L207-F210 HydrophobicContact CD2-CD2 4.4Å; L207-F210 HydrophobicContact CD2-CG 4.34Å; L207-F210 VanDerWaalsContact O-CB 3.27Å; L207-F210 WeakPolarHBondContact O-CB 3.38Å; L207-F210 PolarHBondContact O-N 2.92Å; L207-F210 VanDerWaalsContact O-N 3.14Å; F210-P212 HydrophobicContact CE1-CB 4.44Å; F210-I218 HydrophobicContact CD1-CD1 4.36Å; F210-I218 HydrophobicContact CD2-CD1 4.16Å; F210-I218 HydrophobicContact CE1-CD1 3.73Å; F210-I218 HydrophobicContact CE1-CG1 4.29Å; F210-I218 HydrophobicContact CE2-CD1 3.51Å; F210-I218 HydrophobicContact CZ-CD1 3.27Å; F210-I218 HydrophobicContact CZ-CG1 3.96Å; F210-V496 HydrophobicContact CD1-CB 4.3Å; F210-V496 HydrophobicContact CD1-CG1 4.18Å; F210-V496 HydrophobicContact CD1-CG2 4.01Å
211	L	93.5	Very high	91.8	Very high	103 Å²	103	43 Å²	43	54%	0.539	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-86.5	118.1	169.3	-173.3	71.4	0	0	0	109.2	S60 D209 S213	S60-L211 PolarHBondContact O-N 3.37Å; D209-L211 PolarHBondContact O-N 2.72Å; L211-S213 PolarHBondContact O-N 2.99Å
212	P	91.7	Very high	92	Very high	84 Å²	84	43.8 Å²	43.8	55%	0.545	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-61.6	137.9	-178.8	24.3	-33.9	0	0	0	111.7	F210	F210-P212 HydrophobicContact CE1-CB 4.44Å
213	S	90.5	Very high	92.3	Very high	24 Å²	24	40.7 Å²	40.7	17%	0.168	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-77.5	151.8	174.6	-178.9	0	0	0	0	111	L211 E215	L211-S213 PolarHBondContact O-N 2.99Å; S213-E215 VanDerWaalsContact C-N 3.33Å; S213-E215 PolarHBondContact OG-N 2.87Å
214	A	90.3	Very high	92.6	Very high	92 Å²	92	37.1 Å²	37.1	76%	0.76	22%	0.224	S	C	*	.	S	Bend	trans	-75.9	-23.2	176.7	0	0	0	0	0	112.9	R249	A214-R249 VanDerWaalsContact O-CD 3.31Å; A214-R249 WeakPolarHBondContact O-CD 3.31Å
215	E	90.9	Very high	92.9	Very high	55 Å²	55	38.8 Å²	38.8	26%	0.257	23%	0.23	S	C	.	.	S	Bend	trans	-109.2	-28.7	-174	-175.7	169.4	-164.4	0	0	113.4	S213 R248 R249 Y253	S213-E215 VanDerWaalsContact C-N 3.33Å; S213-E215 PolarHBondContact OG-N 2.87Å; E215-R248 HydrophobicContact CG-CG 4.36Å; E215-R248 IonicContact OE1-NH1 3.64Å; E215-R248 PolarHBondContact OE1-NH1 2.94Å; E215-R249 WeakPolarHBondContact O-CB 3.37Å; E215-R249 PolarHBondContact O-N 3Å; E215-Y253 PolarHBondContact OE1-OH 3.33Å
216	W	93.7	Very high	92.8	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.1	-170.3	-64.8	99	0	0	0	112.2	L62 V65 Q162 L246 R248	L62-W216 HydrophobicContact CD2-CB 3.72Å; L62-W216 HydrophobicContact CD2-CG 4.08Å; V65-W216 HydrophobicContact CB-CZ2 3.99Å; V65-W216 HydrophobicContact CG1-CZ2 3.98Å; V65-W216 HydrophobicContact CG2-CD2 4.33Å; V65-W216 HydrophobicContact CG2-CG 4.34Å; V65-W216 HydrophobicContact CG2-CZ2 4.29Å; Q162-W216 HydrophobicContact CB-CZ3 4.42Å; Q162-W216 HydrophobicContact CG-CH2 3.62Å; Q162-W216 HydrophobicContact CG-CZ3 3.73Å; W216-L246 HydrophobicContact CE3-CB 3.82Å; W216-L246 HydrophobicContact CZ3-CB 4.27Å; W216-R248 HydrophobicContact CE3-CB 4.04Å; W216-R248 HydrophobicContact CH2-CB 4.14Å; W216-R248 HydrophobicContact CH2-CG 4.46Å; W216-R248 VanDerWaalsContact CZ2-NH1 3.32Å; W216-R248 HydrophobicContact CZ3-CB 3.71Å; W216-R248 HydrophobicContact CZ3-CG 4.41Å
217	D	93.1	Very high	92.7	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.7	167.4	-69	-24.1	0	0	0	109.9	M219 L246 R247 R249	D217-M219 HydrophobicContact CB-SD 4.4Å; D217-L246 CarbonylContact O-C 3.56Å; D217-L246 WeakPolarHBondContact O-CA 3.33Å; D217-R247 HydrophobicContact CB-CB 4.49Å; D217-R247 PolarHBondContact N-O 3.38Å; D217-R247 PolarHBondContact O-N 3.37Å; D217-R247 IonicContact OD2-CZ 3.15Å; D217-R247 IonicContact OD2-NE 2.89Å; D217-R247 IonicContact OD2-NH2 3.56Å; D217-R247 PolarHBondContact OD2-NH2 3.49Å; D217-R249 IonicContact OD1-CZ 3.72Å; D217-R249 VanDerWaalsContact OD1-CZ 3.22Å; D217-R249 IonicContact OD1-NE 3.26Å; D217-R249 PolarHBondContact OD1-NE 3.03Å; D217-R249 IonicContact OD1-NH2 3.43Å; D217-R249 PolarHBondContact OD1-NH2 2.95Å; D217-R249 IonicContact OD2-NE 3.97Å
218	I	93.5	Very high	92.5	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.4	170.2	-61.6	-179.6	0	0	0	108.5	L59 L207 F210 V221 L246 L495	L59-I218 HydrophobicContact CD2-CD1 3.57Å; L207-I218 HydrophobicContact CD1-CG2 4.39Å; L207-I218 HydrophobicContact CD2-CD1 4.28Å; F210-I218 HydrophobicContact CD1-CD1 4.36Å; F210-I218 HydrophobicContact CD2-CD1 4.16Å; F210-I218 HydrophobicContact CE1-CD1 3.73Å; F210-I218 HydrophobicContact CE1-CG1 4.29Å; F210-I218 HydrophobicContact CE2-CD1 3.51Å; F210-I218 HydrophobicContact CZ-CD1 3.27Å; F210-I218 HydrophobicContact CZ-CG1 3.96Å; I218-V221 HydrophobicContact CG2-CG1 3.65Å; I218-L246 HydrophobicContact CG1-CD2 3.88Å; I218-L495 HydrophobicContact CG2-CD2 4.46Å; I218-L495 VanDerWaalsContact O-CB 3.31Å; I218-L495 WeakPolarHBondContact O-CB 3.47Å; I218-L495 PolarHBondContact O-N 3.16Å
219	M	91.9	Very high	92.5	Very high	25 Å²	25	48 Å²	48	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-39.7	-178.9	-59.4	-55	-67	0	0	112.5	D217 Y245 R247 R492 S493	D217-M219 HydrophobicContact CB-SD 4.4Å; M219-Y245 PolarHBondContact N-O 3.38Å; M219-R247 HydrophobicContact CG-CB 3.74Å; M219-R247 HydrophobicContact SD-CB 3.98Å; M219-R492 HydrophobicContact CE-CB 3.57Å; M219-S493 WeakPolarHBondContact CE-O 3.3Å
220	A	93.4	Very high	92.5	Very high	34 Å²	34	47.4 Å²	47.4	28%	0.281	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	151.1	-178.8	0	0	0	0	0	110.8	Y245	A220-Y245 HydrophobicContact CB-CD2 3.81Å; A220-Y245 HydrophobicContact CB-CG 4.11Å; A220-Y245 WeakPolarHBondContact O-CB 3.42Å; A220-Y245 PolarHBondContact O-N 3.07Å
221	V	95	Very high	92.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-135.2	60.6	-179.9	-71.3	0	0	0	0	113.2	A202 G204 V205 L207 I218 Y243 I244 L495	A202-V221 CarbonylContact O-C 3.56Å; G204-V221 PolarHBondContact N-O 3.28Å; V205-V221 HydrophobicContact CB-CB 3.81Å; V205-V221 HydrophobicContact CB-CG1 4.3Å; V205-V221 HydrophobicContact CB-CG2 3.89Å; V205-V221 HydrophobicContact CG2-CB 3.87Å; V205-V221 HydrophobicContact CG2-CG1 4.42Å; V205-V221 HydrophobicContact CG2-CG2 4.45Å; L207-V221 HydrophobicContact CD1-CG1 4.35Å; L207-V221 HydrophobicContact CD1-CG2 3.96Å; L207-V221 HydrophobicContact CG-CG2 4.47Å; I218-V221 HydrophobicContact CG2-CG1 3.65Å; V221-Y243 CarbonylContact C-O 3.53Å; V221-Y243 VanDerWaalsContact CA-O 3.25Å; V221-Y243 WeakPolarHBondContact CA-O 3.35Å; V221-I244 HydrophobicContact CG1-CG2 4.47Å; V221-L495 HydrophobicContact CG2-CD2 3.86Å
222	P	95.1	Very high	92.4	Very high	19 Å²	19	56.4 Å²	56.4	12%	0.123	30%	0.296	C	S	.	.			trans	-76.4	153.5	-178.9	31.9	-31.5	0	0	0	111.8	V201 A202 Y243 Y245	V201-P222 CarbonylContact O-C 3.59Å; V201-P222 VanDerWaalsContact O-CA 3.31Å; V201-P222 WeakPolarHBondContact O-CA 3.5Å; A202-P222 VanDerWaalsContact O-CA 3.28Å; A202-P222 WeakPolarHBondContact O-CA 3.25Å; P222-Y243 WeakPolarHBondContact CD-O 3.5Å; P222-Y243 PolarHBondContact O-N 3.48Å; P222-Y245 HydrophobicContact CG-CD2 4.09Å; P222-Y245 HydrophobicContact CG-CE2 3.54Å
223	V	95.5	Very high	92.3	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.9	179.8	-178.6	0	0	0	0	108.8	I200 V201 G204 V205 I240 T241 F242	I200-V223 CarbonylContact C-O 3.53Å; I200-V223 WeakPolarHBondContact CA-O 3.23Å; V201-V223 PolarHBondContact N-O 3.48Å; V201-V223 PolarHBondContact O-N 2.96Å; G204-V223 VanDerWaalsContact CA-CG2 3.49Å; V205-V223 HydrophobicContact CG2-CG2 4.46Å; V223-I240 HydrophobicContact CG1-CG2 3.37Å; V223-T241 WeakPolarHBondContact CA-O 3.4Å; V223-F242 HydrophobicContact CB-CD1 4.19Å; V223-F242 HydrophobicContact CB-CE1 4.32Å; V223-F242 HydrophobicContact CG1-CD1 3.95Å; V223-F242 HydrophobicContact CG1-CE1 3.82Å; V223-F242 HydrophobicContact CG1-CE2 4.5Å; V223-F242 HydrophobicContact CG1-CG 4.3Å; V223-F242 HydrophobicContact CG1-CZ 4.1Å; V223-F242 HydrophobicContact CG2-CB 4.4Å; V223-F242 HydrophobicContact CG2-CD1 3.15Å; V223-F242 HydrophobicContact CG2-CE1 3.49Å; V223-F242 VanDerWaalsContact CG2-CE1 3.49Å; V223-F242 HydrophobicContact CG2-CG 3.96Å
224	K	94.4	Very high	92.2	Very high	36 Å²	36	65.2 Å²	65.2	16%	0.157	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135	176.9	-57.1	-170.3	176.8	-171.5	0	110.8	E193 V198 W199 I200 T241 Y243	E193-K224 IonicContact OE1-NZ 2.84Å; E193-K224 PolarHBondContact OE1-NZ 3.32Å; E193-K224 IonicContact OE2-NZ 3.3Å; E193-K224 PolarHBondContact OE2-NZ 3Å; V198-K224 HydrophobicContact CG1-CB 3.93Å; V198-K224 HydrophobicContact CG1-CD 3.98Å; V198-K224 HydrophobicContact CG1-CG 4.24Å; W199-K224 CarbonylContact O-C 3.55Å; W199-K224 VanDerWaalsContact O-CA 3.25Å; W199-K224 WeakPolarHBondContact O-CA 3.15Å; I200-K224 HydrophobicContact CD1-CD 4.42Å; I200-K224 HydrophobicContact CG1-CD 4.49Å; I200-K224 HydrophobicContact CG1-CG 4.13Å; K224-T241 PolarHBondContact N-O 3.48Å; K224-T241 PolarHBondContact O-N 2.98Å; K224-Y243 HydrophobicContact CB-CE2 3.97Å; K224-Y243 HydrophobicContact CD-CD2 4.38Å; K224-Y243 HydrophobicContact CD-CE2 3.66Å; K224-Y243 HydrophobicContact CG-CD2 4.1Å; K224-Y243 HydrophobicContact CG-CE2 3.66Å
225	R	94.4	Very high	92.3	Very high	34 Å²	34	61.7 Å²	61.7	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.1	169.8	-179	-175.1	174.4	-83	3.5	109.6	D179 L180 W199 I238 D239	D179-R225 IonicContact OD1-CZ 3.22Å; D179-R225 IonicContact OD1-NE 3.12Å; D179-R225 IonicContact OD1-NH2 2.79Å; D179-R225 PolarHBondContact OD1-NH2 3.33Å; L180-R225 WeakPolarHBondContact O-CD 3.32Å; L180-R225 PolarHBondContact O-NE 3.26Å; W199-R225 HydrophobicContact CB-CB 4.16Å; W199-R225 PolarHBondContact O-N 3.09Å; R225-I238 HydrophobicContact CG-CG2 4.09Å; R225-D239 WeakPolarHBondContact CA-O 3.45Å
226	H	92.2	Very high	92.4	Very high	26 Å²	26	59.2 Å²	59.2	12%	0.12	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.5	177.6	-47.6	98.9	0	0	0	111.1	E228 I238 D239 T241	H226-E228 HydrophobicContact CB-CG 4.11Å; H226-I238 WeakPolarHBondContact O-CA 3.46Å; H226-D239 IonicContact CG-OD2 2.72Å; H226-D239 PolarHBondContact N-O 3.39Å; H226-D239 IonicContact ND1-OD2 3.72Å; H226-D239 PolarHBondContact ND1-OD2 2.97Å; H226-D239 PolarHBondContact O-N 3Å; H226-T241 PolarHBondContact ND1-OG1 3.32Å
227	E	91.3	Very high	92.4	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.491	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	104	166.9	-174.3	-176.4	157.1	0	0	107.7	P236	E227-P236 HydrophobicContact CG-CB 3.65Å; E227-P236 HydrophobicContact CG-CG 4.38Å; E227-P236 WeakPolarHBondContact OE1-CB 3.45Å; E227-P236 WeakPolarHBondContact OE1-CG 3.45Å
228	E	88.2	Confident	92.4	Very high	43 Å²	43	60.3 Å²	60.3	20%	0.201	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.7	-173.2	-71.1	-63.7	159.4	0	0	111.2	R196 H226 Y230 P236 Y237	R196-E228 IonicContact CZ-OE2 2.66Å; R196-E228 IonicContact NH1-OE1 3.65Å; R196-E228 PolarHBondContact NH1-OE1 2.87Å; R196-E228 IonicContact NH1-OE2 2.74Å; R196-E228 PolarHBondContact NH1-OE2 2.81Å; H226-E228 HydrophobicContact CB-CG 4.11Å; E228-Y230 HydrophobicContact CB-CE2 4.19Å; E228-P236 WeakPolarHBondContact O-CA 3.14Å; E228-Y237 PolarHBondContact N-O 3.49Å; E228-Y237 PolarHBondContact O-N 3.3Å
229	R	90.8	Very high	92.5	Very high	178 Å²	178	60.1 Å²	60.1	67%	0.672	28%	0.282	S	S	*	.			trans	-101.3	106.3	170.9	-73.3	-174.4	-179	-179.3	0.8	109.3	P236	R229-P236 HydrophobicContact CG-CB 3.82Å
230	Y	90.6	Very high	92.6	Very high	78 Å²	78	59 Å²	59	31%	0.306	28%	0.277	S	S	.	.			trans	-78	145.6	177	-63.7	-77.6	0	0	0	111.4	K167 E228 C232 C233 Y237	K167-Y230 PolarHBondContact NZ-OH 3.26Å; E228-Y230 HydrophobicContact CB-CE2 4.19Å; Y230-C232 PolarHBondContact O-N 2.89Å; Y230-C232 VanDerWaalsContact O-N 3.11Å; Y230-C233 PolarHBondContact O-N 3.16Å; Y230-Y237 AromaticContact CD2-CD2 4Å; Y230-Y237 HydrophobicContact CD2-CD2 4Å; Y230-Y237 HydrophobicContact CD2-CG 4.22Å; Y230-Y237 HydrophobicContact CE2-CG 4.32Å
231	E	92.6	Very high	92.8	Very high	211 Å²	211	57.6 Å²	57.6	99%	0.986	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27	-177.5	-63.8	-179.3	174.1	0	0	113.9	C233	E231-C233 PolarHBondContact O-N 2.94Å
232	C	91.2	Very high	92.8	Very high	105 Å²	105	57.5 Å²	57.5	71%	0.709	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.7	176.9	61.9	0	0	0	0	113.8	Y230	Y230-C232 PolarHBondContact O-N 2.89Å; Y230-C232 VanDerWaalsContact O-N 3.11Å
233	C	90.3	Very high	92.9	Very high	41 Å²	41	58.8 Å²	58.8	28%	0.277	27%	0.267	S	S	.	.			trans	-137.3	133.8	-147.6	-57.8	0	0	0	0	110.7	Y230 E231 Y237	Y230-C233 PolarHBondContact O-N 3.16Å; E231-C233 PolarHBondContact O-N 2.94Å; C233-Y237 HydrophobicContact CB-CD2 4.49Å; C233-Y237 HydrophobicContact CB-CE2 3.77Å
234	R	88.9	Confident	92.9	Very high	252 Å²	252	58.8 Å²	58.8	95%	0.951	27%	0.267	S	S	*	.	S	Bend	trans	-75.6	-29.4	-176.1	-65	-178.9	-177.3	169.7	1.2	112.8
235	A	91.5	Very high	92.9	Very high	18 Å²	18	61.4 Å²	61.4	15%	0.149	28%	0.276	C	S	.	.	S	Bend	trans	-92.6	148.3	-178.4	0	0	0	0	0	111.2	D174 F176	D174-A235 HydrophobicContact CB-CB 3.58Å; D174-A235 VanDerWaalsContact OD2-CB 3.22Å; D174-A235 WeakPolarHBondContact OD2-CB 3.46Å; F176-A235 HydrophobicContact CD2-CB 4.26Å; F176-A235 HydrophobicContact CE2-CB 4.27Å
236	P	92.9	Very high	92.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.013	27%	0.27	C	S	.	.			trans	-69.8	145.1	170.4	30.9	-32	0	0	0	110.4	G175 F176 E227 E228 R229	G175-P236 PolarHBondContact N-O 3.34Å; F176-P236 HydrophobicContact CE2-CG 4.11Å; F176-P236 HydrophobicContact CZ-CG 4.13Å; E227-P236 HydrophobicContact CG-CB 3.65Å; E227-P236 HydrophobicContact CG-CG 4.38Å; E227-P236 WeakPolarHBondContact OE1-CB 3.45Å; E227-P236 WeakPolarHBondContact OE1-CG 3.45Å; E228-P236 WeakPolarHBondContact O-CA 3.14Å; R229-P236 HydrophobicContact CG-CB 3.82Å
237	Y	93.9	Very high	92.9	Very high	40 Å²	40	60.5 Å²	60.5	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.9	170.1	-78.2	-99.1	0	0	0	108.8	Y173 E228 Y230 C233	Y173-Y237 WeakPolarHBondContact O-CE1 3.28Å; E228-Y237 PolarHBondContact N-O 3.49Å; E228-Y237 PolarHBondContact O-N 3.3Å; Y230-Y237 AromaticContact CD2-CD2 4Å; Y230-Y237 HydrophobicContact CD2-CD2 4Å; Y230-Y237 HydrophobicContact CD2-CG 4.22Å; Y230-Y237 HydrophobicContact CE2-CG 4.32Å; C233-Y237 HydrophobicContact CB-CD2 4.49Å; C233-Y237 HydrophobicContact CB-CE2 3.77Å
238	I	93.8	Very high	92.9	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.5	179.1	-59.3	164.8	0	0	0	108.3	D179 L180 R225 H226	D179-I238 HydrophobicContact CB-CD1 4.43Å; D179-I238 WeakPolarHBondContact OD1-CD1 3.41Å; L180-I238 HydrophobicContact CB-CG2 3.94Å; L180-I238 WeakPolarHBondContact CD1-O 3.43Å; R225-I238 HydrophobicContact CG-CG2 4.09Å; H226-I238 WeakPolarHBondContact O-CA 3.46Å
239	D	94.6	Very high	93.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.1	172.8	64.4	-105.2	0	0	0	111.6	Y115 K167 F168 R225 H226 T241	Y115-D239 HydrophobicContact CE2-CB 4.42Å; K167-D239 WeakPolarHBondContact CE-OD1 3.26Å; K167-D239 WeakPolarHBondContact CE-OD2 3.46Å; K167-D239 HydrophobicContact CG-CB 4.22Å; K167-D239 IonicContact NZ-OD1 2.8Å; K167-D239 PolarHBondContact NZ-OD1 3.49Å; K167-D239 VanDerWaalsContact NZ-OD1 3.15Å; K167-D239 IonicContact NZ-OD2 2.86Å; F168-D239 CarbonylContact O-C 3.37Å; F168-D239 VanDerWaalsContact O-CA 3.31Å; F168-D239 WeakPolarHBondContact O-CA 3.42Å; F168-D239 WeakPolarHBondContact O-CB 3.48Å; R225-D239 WeakPolarHBondContact CA-O 3.45Å; H226-D239 IonicContact CG-OD2 2.72Å; H226-D239 PolarHBondContact N-O 3.39Å; H226-D239 IonicContact ND1-OD2 3.72Å; H226-D239 PolarHBondContact ND1-OD2 2.97Å; H226-D239 PolarHBondContact O-N 3Å; D239-T241 PolarHBondContact OD2-OG1 3.22Å
240	I	95.3	Very high	93	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	113.5	172.4	-59.5	178.7	0	0	0	107	V55 F168 L180 V223 F242	V55-I240 HydrophobicContact CB-CD1 4.01Å; V55-I240 HydrophobicContact CG2-CD1 4.26Å; F168-I240 PolarHBondContact N-O 3.18Å; F168-I240 PolarHBondContact O-N 3.4Å; L180-I240 HydrophobicContact CB-CD1 3.75Å; L180-I240 HydrophobicContact CB-CG1 3.99Å; V223-I240 HydrophobicContact CG1-CG2 3.37Å; I240-F242 HydrophobicContact CB-CE2 4.16Å; I240-F242 HydrophobicContact CG2-CD2 4.07Å; I240-F242 HydrophobicContact CG2-CE1 4.48Å; I240-F242 HydrophobicContact CG2-CE2 3.4Å; I240-F242 HydrophobicContact CG2-CZ 3.62Å
241	T	96	Very high	92.9	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.6	-179.5	-54.5	0	0	0	0	109.7	D165 L166 K167 V223 K224 H226 D239 Y243	D165-T241 HydrophobicContact CB-CG2 3.74Å; L166-T241 WeakPolarHBondContact O-CA 3.32Å; K167-T241 HydrophobicContact CB-CG2 4.47Å; V223-T241 WeakPolarHBondContact CA-O 3.4Å; K224-T241 PolarHBondContact N-O 3.48Å; K224-T241 PolarHBondContact O-N 2.98Å; H226-T241 PolarHBondContact ND1-OG1 3.32Å; D239-T241 PolarHBondContact OD2-OG1 3.22Å; T241-Y243 HydrophobicContact CG2-CD2 4.2Å; T241-Y243 HydrophobicContact CG2-CE1 4.1Å; T241-Y243 HydrophobicContact CG2-CE2 3.6Å
242	F	96.3	Very high	92.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.5	174.6	-61.6	-101.8	0	0	0	108.5	V55 L57 D165 L166 F168 V205 V223 I240	V55-F242 HydrophobicContact CG1-CE2 4.48Å; V55-F242 HydrophobicContact CG1-CZ 4.27Å; L57-F242 HydrophobicContact CB-CD1 4.06Å; L57-F242 HydrophobicContact CB-CE1 3.95Å; L57-F242 HydrophobicContact CB-CZ 4.4Å; L57-F242 HydrophobicContact CD1-CB 3.87Å; L57-F242 HydrophobicContact CD1-CD1 3.55Å; L57-F242 HydrophobicContact CD1-CD2 3.37Å; L57-F242 HydrophobicContact CD1-CE1 3.92Å; L57-F242 HydrophobicContact CD1-CE2 3.71Å; L57-F242 HydrophobicContact CD1-CG 3.3Å; L57-F242 HydrophobicContact CD1-CZ 4Å; L57-F242 HydrophobicContact CD2-CE2 4.37Å; L57-F242 HydrophobicContact CD2-CZ 4.39Å; L57-F242 HydrophobicContact CG-CD1 3.7Å; L57-F242 HydrophobicContact CG-CD2 3.9Å; L57-F242 HydrophobicContact CG-CE1 3.54Å; L57-F242 HydrophobicContact CG-CE2 3.7Å; L57-F242 HydrophobicContact CG-CG 3.92Å; L57-F242 HydrophobicContact CG-CZ 3.55Å; D165-F242 CarbonylContact C-O 3.51Å; D165-F242 WeakPolarHBondContact CA-O 3.45Å; L166-F242 HydrophobicContact CB-CB 4.29Å; L166-F242 PolarHBondContact N-O 3.35Å; L166-F242 PolarHBondContact O-N 2.78Å; F168-F242 AromaticContact CD2-CD2 3.8Å; F168-F242 HydrophobicContact CD2-CD2 3.8Å; F168-F242 AromaticContact CD2-CE2 3.99Å; F168-F242 HydrophobicContact CD2-CE2 3.99Å; F168-F242 HydrophobicContact CE2-CD2 4.36Å; V205-F242 HydrophobicContact CG2-CB 4.39Å; V205-F242 HydrophobicContact CG2-CD1 3.7Å; V223-F242 HydrophobicContact CB-CD1 4.19Å; V223-F242 HydrophobicContact CB-CE1 4.32Å; V223-F242 HydrophobicContact CG1-CD1 3.95Å; V223-F242 HydrophobicContact CG1-CE1 3.82Å; V223-F242 HydrophobicContact CG1-CE2 4.5Å; V223-F242 HydrophobicContact CG1-CG 4.3Å; V223-F242 HydrophobicContact CG1-CZ 4.1Å; V223-F242 HydrophobicContact CG2-CB 4.4Å; V223-F242 HydrophobicContact CG2-CD1 3.15Å; V223-F242 HydrophobicContact CG2-CE1 3.49Å; V223-F242 VanDerWaalsContact CG2-CE1 3.49Å; V223-F242 HydrophobicContact CG2-CG 3.96Å; I240-F242 HydrophobicContact CB-CE2 4.16Å; I240-F242 HydrophobicContact CG2-CD2 4.07Å; I240-F242 HydrophobicContact CG2-CE1 4.48Å; I240-F242 HydrophobicContact CG2-CE2 3.4Å; I240-F242 HydrophobicContact CG2-CZ 3.62Å
243	Y	96	Very high	92.8	Very high	45 Å²	45	47.8 Å²	47.8	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.9	176.8	-66.2	-87.5	0	0	0	109.5	L163 C164 D165 V221 P222 K224 T241	L163-Y243 HydrophobicContact CD1-CD1 3.87Å; L163-Y243 HydrophobicContact CD1-CG 4.35Å; L163-Y243 HydrophobicContact CD2-CD1 4.45Å; L163-Y243 HydrophobicContact CG-CD1 4.23Å; C164-Y243 CarbonylContact O-C 3.55Å; D165-Y243 HydrophobicContact CB-CD1 3.83Å; D165-Y243 HydrophobicContact CB-CE1 3.77Å; V221-Y243 CarbonylContact C-O 3.53Å; V221-Y243 VanDerWaalsContact CA-O 3.25Å; V221-Y243 WeakPolarHBondContact CA-O 3.35Å; P222-Y243 WeakPolarHBondContact CD-O 3.5Å; P222-Y243 PolarHBondContact O-N 3.48Å; K224-Y243 HydrophobicContact CB-CE2 3.97Å; K224-Y243 HydrophobicContact CD-CD2 4.38Å; K224-Y243 HydrophobicContact CD-CE2 3.66Å; K224-Y243 HydrophobicContact CG-CD2 4.1Å; K224-Y243 HydrophobicContact CG-CE2 3.66Å; T241-Y243 HydrophobicContact CG2-CD2 4.2Å; T241-Y243 HydrophobicContact CG2-CE1 4.1Å; T241-Y243 HydrophobicContact CG2-CE2 3.6Å
244	I	95.3	Very high	92.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.7	175.1	-52.6	177.5	0	0	0	107	L59 T74 C164 L166 V221 L246	L59-I244 HydrophobicContact CD2-CD1 4.45Å; T74-I244 HydrophobicContact CG2-CD1 4.38Å; C164-I244 PolarHBondContact N-O 3.19Å; C164-I244 PolarHBondContact O-N 3.41Å; L166-I244 HydrophobicContact CD1-CD1 3.84Å; V221-I244 HydrophobicContact CG1-CG2 4.47Å; I244-L246 HydrophobicContact CG2-CD2 3.56Å; I244-L246 HydrophobicContact CG2-CG 3.87Å
245	Y	94.7	Very high	92.8	Very high	92 Å²	92	38.8 Å²	38.8	36%	0.361	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117	172.3	-72	-98.8	0	0	0	108.8	L163 M219 A220 P222	L163-Y245 HydrophobicContact CD1-CD1 3.85Å; L163-Y245 HydrophobicContact CD1-CD2 3.72Å; L163-Y245 HydrophobicContact CD1-CE1 3.61Å; L163-Y245 HydrophobicContact CD1-CE2 3.45Å; L163-Y245 VanDerWaalsContact CD1-CE2 3.45Å; L163-Y245 HydrophobicContact CD1-CG 3.9Å; L163-Y245 VanDerWaalsContact CD1-CZ 3.4Å; L163-Y245 HydrophobicContact CD2-CE1 4.08Å; L163-Y245 HydrophobicContact CG-CE1 4.28Å; M219-Y245 PolarHBondContact N-O 3.38Å; A220-Y245 HydrophobicContact CB-CD2 3.81Å; A220-Y245 HydrophobicContact CB-CG 4.11Å; A220-Y245 WeakPolarHBondContact O-CB 3.42Å; A220-Y245 PolarHBondContact O-N 3.07Å; P222-Y245 HydrophobicContact CG-CD2 4.09Å; P222-Y245 HydrophobicContact CG-CE2 3.54Å
246	L	93.7	Very high	92.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.5	-177.4	-60.5	173.9	0	0	0	110.3	L62 V65 I72 E161 Q162 W216 D217 I218 I244	L62-L246 HydrophobicContact CD2-CD1 3.99Å; L62-L246 HydrophobicContact CD2-CD2 3.72Å; V65-L246 HydrophobicContact CG2-CD1 4.08Å; I72-L246 HydrophobicContact CD1-CD1 3.84Å; E161-L246 CarbonylContact C-O 3.49Å; E161-L246 VanDerWaalsContact CA-O 3.31Å; E161-L246 WeakPolarHBondContact CA-O 3.43Å; Q162-L246 HydrophobicContact CB-CB 4.3Å; Q162-L246 PolarHBondContact N-O 2.83Å; Q162-L246 PolarHBondContact O-N 3.48Å; W216-L246 HydrophobicContact CE3-CB 3.82Å; W216-L246 HydrophobicContact CZ3-CB 4.27Å; D217-L246 CarbonylContact O-C 3.56Å; D217-L246 WeakPolarHBondContact O-CA 3.33Å; I218-L246 HydrophobicContact CG1-CD2 3.88Å; I244-L246 HydrophobicContact CG2-CD2 3.56Å; I244-L246 HydrophobicContact CG2-CG 3.87Å
247	R	92.7	Very high	92.5	Very high	40 Å²	40	42.4 Å²	42.4	15%	0.151	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.4	172.5	178.5	-174.9	63.7	-176.3	-4	109.9	E161 D217 M219 R492	E161-R247 HydrophobicContact CG-CG 4.49Å; D217-R247 HydrophobicContact CB-CB 4.49Å; D217-R247 PolarHBondContact N-O 3.38Å; D217-R247 PolarHBondContact O-N 3.37Å; D217-R247 IonicContact OD2-CZ 3.15Å; D217-R247 IonicContact OD2-NE 2.89Å; D217-R247 IonicContact OD2-NH2 3.56Å; D217-R247 PolarHBondContact OD2-NH2 3.49Å; M219-R247 HydrophobicContact CG-CB 3.74Å; M219-R247 HydrophobicContact SD-CB 3.98Å; R247-R492 PolarHBondContact NH1-O 3.46Å
248	R	92.3	Very high	92.2	Very high	8 Å²	8	42 Å²	42	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.1	-178.3	-167.2	-177.3	-59.7	-89.3	2.1	112.4	E67 D160 E215 W216 T250	E67-R248 IonicContact OE1-CZ 2.99Å; E67-R248 VanDerWaalsContact OE1-CZ 3.26Å; E67-R248 IonicContact OE1-NH1 2.98Å; E67-R248 PolarHBondContact OE1-NH1 3.05Å; E67-R248 IonicContact OE1-NH2 3.75Å; E67-R248 PolarHBondContact OE1-NH2 3.42Å; D160-R248 PolarHBondContact O-N 3.33Å; D160-R248 WeakPolarHBondContact OD1-CD 3.28Å; D160-R248 IonicContact OD1-CZ 2.8Å; D160-R248 IonicContact OD1-NE 3.87Å; D160-R248 PolarHBondContact OD1-NE 3.4Å; D160-R248 IonicContact OD1-NH2 3.58Å; D160-R248 IonicContact OD2-CZ 3.72Å; D160-R248 IonicContact OD2-NE 3.11Å; D160-R248 PolarHBondContact OD2-NE 3.02Å; D160-R248 IonicContact OD2-NH2 2.9Å; D160-R248 PolarHBondContact OD2-NH2 2.93Å; D160-R248 VanDerWaalsContact OD2-NH2 3.1Å; E215-R248 HydrophobicContact CG-CG 4.36Å; E215-R248 IonicContact OE1-NH1 3.64Å; E215-R248 PolarHBondContact OE1-NH1 2.94Å; W216-R248 HydrophobicContact CE3-CB 4.04Å; W216-R248 HydrophobicContact CH2-CB 4.14Å; W216-R248 HydrophobicContact CH2-CG 4.46Å; W216-R248 VanDerWaalsContact CZ2-NH1 3.32Å; W216-R248 HydrophobicContact CZ3-CB 3.71Å; W216-R248 HydrophobicContact CZ3-CG 4.41Å; R248-T250 PolarHBondContact O-N 3.48Å
249	R	91.2	Very high	92	Very high	115 Å²	115	46.5 Å²	46.5	43%	0.434	22%	0.224	S	C	.	.			trans	-81.2	110	166.8	-67.6	-177.6	171.9	-155.8	0.6	109.9	A214 E215 D217 L251	A214-R249 VanDerWaalsContact O-CD 3.31Å; A214-R249 WeakPolarHBondContact O-CD 3.31Å; E215-R249 WeakPolarHBondContact O-CB 3.37Å; E215-R249 PolarHBondContact O-N 3Å; D217-R249 IonicContact OD1-CZ 3.72Å; D217-R249 VanDerWaalsContact OD1-CZ 3.22Å; D217-R249 IonicContact OD1-NE 3.26Å; D217-R249 PolarHBondContact OD1-NE 3.03Å; D217-R249 IonicContact OD1-NH2 3.43Å; D217-R249 PolarHBondContact OD1-NH2 2.95Å; D217-R249 IonicContact OD2-NE 3.97Å; R249-L251 PolarHBondContact O-N 3.34Å
250	T	89.2	Confident	91.8	Very high	38 Å²	38	48.6 Å²	48.6	23%	0.233	24%	0.237	C	C	.	.			trans	-84.7	-5.9	-165.5	63.6	0	0	0	0	115.4	P158 F159 R248 F252 Y253 S254	P158-T250 WeakPolarHBondContact O-CG2 3.4Å; F159-T250 HydrophobicContact CD1-CG2 3.51Å; F159-T250 HydrophobicContact CE1-CG2 3.86Å; F159-T250 HydrophobicContact CG-CG2 4.29Å; R248-T250 PolarHBondContact O-N 3.48Å; T250-F252 PolarHBondContact O-N 3.25Å; T250-Y253 PolarHBondContact O-N 3.36Å; T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.36Å; T250-S254 PolarHBondContact O-N 3.25Å; T250-S254 PolarHBondContact O-OG 3.3Å
251	L	89.1	Confident	91.5	Very high	136 Å²	136	48.6 Å²	48.6	71%	0.712	24%	0.237	S	C	*	.	H	α-helix	trans	-61.5	-43.2	-170	-175	147.3	0	0	0	112.6	R249 S254 V255	R249-L251 PolarHBondContact O-N 3.34Å; L251-S254 PolarHBondContact O-N 3.25Å; L251-V255 WeakPolarHBondContact O-CG2 3.46Å; L251-V255 PolarHBondContact O-N 2.74Å; L251-V255 VanDerWaalsContact O-N 3.07Å
252	F	91.9	Very high	91	Very high	129 Å²	129	51.6 Å²	51.6	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-60.6	-49.8	179.8	177.9	-97.1	0	0	0	111.8	T250 N256	T250-F252 PolarHBondContact O-N 3.25Å; F252-N256 VanDerWaalsContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.45Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.44Å; F252-N256 WeakPolarHBondContact O-CB 3.33Å; F252-N256 PolarHBondContact O-N 3.3Å; F252-N256 PolarHBondContact O-ND2 2.92Å
253	Y	90	Very high	90.7	Very high	27 Å²	27	53.4 Å²	53.4	11%	0.106	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-33.9	179.6	-64.2	-77.7	0	0	0	112.3	F157 P158 E215 T250 V255 L257 I258	F157-Y253 HydrophobicContact CE1-CD1 4.42Å; F157-Y253 AromaticContact CZ-CD1 3.94Å; F157-Y253 HydrophobicContact CZ-CD1 3.94Å; F157-Y253 AromaticContact CZ-CE1 3.8Å; F157-Y253 HydrophobicContact CZ-CE1 3.8Å; F157-Y253 HydrophobicContact CZ-CG 4.39Å; P158-Y253 HydrophobicContact CB-CD2 4.07Å; P158-Y253 HydrophobicContact CB-CG 3.97Å; E215-Y253 PolarHBondContact OE1-OH 3.33Å; T250-Y253 PolarHBondContact O-N 3.36Å; Y253-V255 PolarHBondContact O-N 3.03Å; Y253-L257 WeakPolarHBondContact O-CA 3.31Å; Y253-L257 VanDerWaalsContact O-CB 3.23Å; Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 2.95Å; Y253-I258 PolarHBondContact O-N 3.33Å
254	S	87.8	Confident	90.4	Very high	28 Å²	28	52.3 Å²	52.3	20%	0.196	27%	0.268	C	S	.	.	I	π-helix	trans	-60.4	-47.1	175.5	-63.8	0	0	0	0	111.8	T250 L251 I258 I259	T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.36Å; T250-S254 PolarHBondContact O-N 3.25Å; T250-S254 PolarHBondContact O-OG 3.3Å; L251-S254 PolarHBondContact O-N 3.25Å; S254-I258 WeakPolarHBondContact O-CB 3.47Å; S254-I258 PolarHBondContact O-N 3.47Å; S254-I259 WeakPolarHBondContact O-CG1 3.15Å; S254-I259 PolarHBondContact O-N 3.4Å
255	V	91.3	Very high	89.9	Confident	75 Å²	75	52.1 Å²	52.1	46%	0.455	27%	0.267	S	S	.	.	I	π-helix	trans	-75.9	-42.6	-177.6	175.9	0	0	0	0	112.3	L251 Y253 P260	L251-V255 WeakPolarHBondContact O-CG2 3.46Å; L251-V255 PolarHBondContact O-N 2.74Å; L251-V255 VanDerWaalsContact O-N 3.07Å; Y253-V255 PolarHBondContact O-N 3.03Å; V255-P260 VanDerWaalsContact O-CD 3.3Å; V255-P260 WeakPolarHBondContact O-CD 3.34Å
256	N	90.2	Very high	89.5	Confident	86 Å²	86	53.4 Å²	53.4	46%	0.46	28%	0.275	S	S	.	.	I	π-helix	trans	-90.9	-21	-171.1	-64.8	-38.5	0	0	0	114.1	F252	F252-N256 VanDerWaalsContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.45Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.44Å; F252-N256 WeakPolarHBondContact O-CB 3.33Å; F252-N256 PolarHBondContact O-N 3.3Å; F252-N256 PolarHBondContact O-ND2 2.92Å
257	L	88	Confident	89.3	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.052	29%	0.293	C	S	.	.	I	π-helix	trans	-119.3	-52.6	-175.6	-164.2	158.2	0	0	0	111.6	Y253 C261 I313	Y253-L257 WeakPolarHBondContact O-CA 3.31Å; Y253-L257 VanDerWaalsContact O-CB 3.23Å; Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 2.95Å; L257-C261 VanDerWaalsContact O-CB 3.28Å; L257-C261 WeakPolarHBondContact O-CB 3.45Å; L257-C261 PolarHBondContact O-N 2.82Å; L257-I313 HydrophobicContact CD2-CD1 3.66Å; L257-I313 HydrophobicContact CD2-CG1 3.5Å; L257-I313 VanDerWaalsContact CD2-CG1 3.5Å
258	I	86.9	Confident	89	Confident	32 Å²	32	55.9 Å²	55.9	16%	0.164	29%	0.291	C	S	.	.	I	π-helix	trans	-70.3	-52.8	-173.7	-58	-179.2	0	0	0	111.8	P158 F159 Y253 S254 C261 I262	P158-I258 HydrophobicContact CG-CD1 3.99Å; F159-I258 HydrophobicContact CE2-CD1 3.8Å; F159-I258 HydrophobicContact CZ-CD1 4.01Å; Y253-I258 PolarHBondContact O-N 3.33Å; S254-I258 WeakPolarHBondContact O-CB 3.47Å; S254-I258 PolarHBondContact O-N 3.47Å; I258-C261 PolarHBondContact O-N 3.41Å; I258-I262 HydrophobicContact CG2-CD1 3.67Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 3.28Å
259	I	88.7	Confident	88.8	Confident	107 Å²	107	56.1 Å²	56.1	55%	0.549	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-48.9	-176.8	-69.7	174.5	0	0	0	112.2	S254 C261 I262 G263	S254-I259 WeakPolarHBondContact O-CG1 3.15Å; S254-I259 PolarHBondContact O-N 3.4Å; I259-C261 VanDerWaalsContact C-N 3.31Å; I259-C261 PolarHBondContact O-N 2.84Å; I259-I262 PolarHBondContact O-N 3.26Å; I259-G263 PolarHBondContact O-N 3.48Å
260	P	91	Very high	88.7	Confident	44 Å²	44	54.1 Å²	54.1	29%	0.286	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-39.8	176.4	-26.7	36.7	0	0	0	112.8	V255 G263 I264 F295	V255-P260 VanDerWaalsContact O-CD 3.3Å; V255-P260 WeakPolarHBondContact O-CD 3.34Å; P260-G263 PolarHBondContact O-N 3.2Å; P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.45Å; P260-I264 PolarHBondContact O-N 3.14Å; P260-F295 HydrophobicContact CB-CE1 4.27Å; P260-F295 HydrophobicContact CB-CZ 3.9Å
261	C	88.3	Confident	88.8	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-42.2	179.7	-169	0	0	0	0	112.5	L257 I258 I259 S265 Y316 L317	L257-C261 VanDerWaalsContact O-CB 3.28Å; L257-C261 WeakPolarHBondContact O-CB 3.45Å; L257-C261 PolarHBondContact O-N 2.82Å; I258-C261 PolarHBondContact O-N 3.41Å; I259-C261 VanDerWaalsContact C-N 3.31Å; I259-C261 PolarHBondContact O-N 2.84Å; C261-S265 WeakPolarHBondContact O-CB 3.38Å; C261-S265 PolarHBondContact O-N 2.94Å; C261-S265 PolarHBondContact O-OG 3.4Å; C261-Y316 HydrophobicContact CB-CE1 4.33Å; C261-Y316 WeakPolarHBondContact SG-CE1 3.12Å; C261-L317 WeakPolarHBondContact SG-CD2 3.39Å
262	I	87.2	Confident	88.8	Confident	66 Å²	66	46.2 Å²	46.2	34%	0.338	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-42.7	174.2	-65.9	172.4	0	0	0	110.1	I258 I259 S265 F266 Y316	I258-I262 HydrophobicContact CG2-CD1 3.67Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 3.28Å; I259-I262 PolarHBondContact O-N 3.26Å; I262-S265 PolarHBondContact O-N 3.29Å; I262-F266 PolarHBondContact O-N 3.42Å; I262-Y316 HydrophobicContact CG1-CE1 4.49Å
263	G	89.2	Confident	88.7	Confident	38 Å²	38	48.9 Å²	48.9	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-46.5	178.1	0	0	0	0	0	113.2	I259 P260 S265 F266 L267	I259-G263 PolarHBondContact O-N 3.48Å; P260-G263 PolarHBondContact O-N 3.2Å; G263-S265 VanDerWaalsContact C-N 3.3Å; G263-S265 PolarHBondContact O-N 3.05Å; G263-F266 WeakPolarHBondContact O-CB 3.44Å; G263-F266 PolarHBondContact O-N 2.92Å; G263-L267 PolarHBondContact O-N 3.49Å
264	I	89.6	Confident	88.8	Confident	22 Å²	22	50 Å²	50	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-39.2	175.7	-70.4	158.3	0	0	0	111	P260 F266 L267 I288 C291 L292 F295	P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.45Å; P260-I264 PolarHBondContact O-N 3.14Å; I264-F266 VanDerWaalsContact C-N 3.27Å; I264-F266 PolarHBondContact O-N 2.97Å; I264-L267 WeakPolarHBondContact O-CB 3.35Å; I264-L267 PolarHBondContact O-N 3.34Å; I264-L267 VanDerWaalsContact O-N 3.08Å; I264-I288 HydrophobicContact CG2-CG2 3.65Å; I264-C291 WeakPolarHBondContact CD1-SG 3.43Å; I264-L292 HydrophobicContact CG2-CD2 3.97Å; I264-L292 HydrophobicContact CG2-CG 4.11Å; I264-F295 HydrophobicContact CD1-CD2 3.83Å; I264-F295 HydrophobicContact CD1-CE2 3.22Å; I264-F295 HydrophobicContact CD1-CZ 4.05Å
265	S	84.5	Confident	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-31.9	178.6	-55.5	0	0	0	0	112	C261 I262 G263 L267 T268 Y316	C261-S265 WeakPolarHBondContact O-CB 3.38Å; C261-S265 PolarHBondContact O-N 2.94Å; C261-S265 PolarHBondContact O-OG 3.4Å; I262-S265 PolarHBondContact O-N 3.29Å; G263-S265 VanDerWaalsContact C-N 3.3Å; G263-S265 PolarHBondContact O-N 3.05Å; S265-L267 VanDerWaalsContact C-N 3.33Å; S265-L267 PolarHBondContact O-N 2.93Å; S265-T268 WeakPolarHBondContact O-CB 3.43Å; S265-T268 WeakPolarHBondContact O-CG2 3.43Å; S265-T268 PolarHBondContact O-N 3.34Å; S265-T268 PolarHBondContact O-OG1 3.24Å; S265-Y316 PolarHBondContact OG-OH 3.26Å
266	F	86.1	Confident	88.8	Confident	119 Å²	119	48.6 Å²	48.6	52%	0.522	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-34.7	171.3	-175.8	-102.6	0	0	0	112.9	I262 G263 I264 T268 I269 L270	I262-F266 PolarHBondContact O-N 3.42Å; G263-F266 WeakPolarHBondContact O-CB 3.44Å; G263-F266 PolarHBondContact O-N 2.92Å; I264-F266 VanDerWaalsContact C-N 3.27Å; I264-F266 PolarHBondContact O-N 2.97Å; F266-T268 PolarHBondContact O-N 3.23Å; F266-I269 PolarHBondContact O-N 3.44Å; F266-I269 VanDerWaalsContact O-N 3.15Å; F266-L270 HydrophobicContact CD1-CD1 4.17Å; F266-L270 HydrophobicContact CD1-CG 4.44Å; F266-L270 HydrophobicContact CE1-CD1 3.96Å; F266-L270 HydrophobicContact CE1-CD2 4.28Å; F266-L270 HydrophobicContact CE1-CG 4.14Å
267	L	90.2	Very high	88.8	Confident	74 Å²	74	49.2 Å²	49.2	39%	0.387	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-27.1	175.6	-59.5	179.2	0	0	0	112.5	G263 I264 S265 I269 L270 V271 I288	G263-L267 PolarHBondContact O-N 3.49Å; I264-L267 WeakPolarHBondContact O-CB 3.35Å; I264-L267 PolarHBondContact O-N 3.34Å; I264-L267 VanDerWaalsContact O-N 3.08Å; S265-L267 VanDerWaalsContact C-N 3.33Å; S265-L267 PolarHBondContact O-N 2.93Å; L267-I269 VanDerWaalsContact C-N 3.26Å; L267-I269 PolarHBondContact O-N 3.17Å; L267-L270 HydrophobicContact CD2-CD1 3.93Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.24Å; L267-V271 PolarHBondContact O-N 2.82Å; L267-I288 HydrophobicContact CB-CD1 3.76Å; L267-I288 HydrophobicContact CB-CG1 4.36Å
268	T	87	Confident	88.8	Confident	18 Å²	18	51.8 Å²	51.8	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-32.8	178.1	73.3	0	0	0	0	112.5	S265 F266 V271 I288 V324	S265-T268 WeakPolarHBondContact O-CB 3.43Å; S265-T268 WeakPolarHBondContact O-CG2 3.43Å; S265-T268 PolarHBondContact O-N 3.34Å; S265-T268 PolarHBondContact O-OG1 3.24Å; F266-T268 PolarHBondContact O-N 3.23Å; T268-V271 WeakPolarHBondContact O-CB 3.34Å; T268-I288 HydrophobicContact CG2-CD1 4.42Å; T268-I288 HydrophobicContact CG2-CG2 3.67Å; T268-V324 HydrophobicContact CG2-CG2 3.31Å
269	I	88.1	Confident	89	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	29%	0.293	C	S	.	.	H	α-helix	trans	-73.8	-38.1	177.1	-59.8	168.5	0	0	0	109.8	F266 L267 V271 F272 L467 F474	F266-I269 PolarHBondContact O-N 3.44Å; F266-I269 VanDerWaalsContact O-N 3.15Å; L267-I269 VanDerWaalsContact C-N 3.26Å; L267-I269 PolarHBondContact O-N 3.17Å; I269-V271 PolarHBondContact O-N 3.06Å; I269-F272 PolarHBondContact O-N 2.93Å; I269-L467 HydrophobicContact CG2-CG 4.36Å; I269-F474 HydrophobicContact CD1-CB 4.21Å; I269-F474 HydrophobicContact CD1-CD1 3.74Å; I269-F474 HydrophobicContact CD1-CG 4.19Å
270	L	88.6	Confident	89.1	Confident	73 Å²	73	53.2 Å²	53.2	38%	0.382	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-23.4	178.9	-65.9	177.8	0	0	0	113.3	F266 L267 F272 Y273 L274	F266-L270 HydrophobicContact CD1-CD1 4.17Å; F266-L270 HydrophobicContact CD1-CG 4.44Å; F266-L270 HydrophobicContact CE1-CD1 3.96Å; F266-L270 HydrophobicContact CE1-CD2 4.28Å; F266-L270 HydrophobicContact CE1-CG 4.14Å; L267-L270 HydrophobicContact CD2-CD1 3.93Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.24Å; L270-F272 VanDerWaalsContact C-N 3.27Å; L270-F272 PolarHBondContact O-N 3.37Å; L270-Y273 WeakPolarHBondContact O-CB 3.3Å; L270-Y273 PolarHBondContact O-N 3.21Å; L270-L274 PolarHBondContact O-N 2.86Å
271	V	90.6	Very high	89.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-42.6	174.2	172.5	0	0	0	0	111.7	L267 T268 I269 Y273 L274 L284 S285 I288 T331	L267-V271 PolarHBondContact O-N 2.82Å; T268-V271 WeakPolarHBondContact O-CB 3.34Å; I269-V271 PolarHBondContact O-N 3.06Å; V271-Y273 PolarHBondContact O-N 3.4Å; V271-L274 WeakPolarHBondContact O-CB 3.29Å; V271-L274 PolarHBondContact O-N 3Å; V271-L284 HydrophobicContact CG2-CD2 3.86Å; V271-L284 HydrophobicContact CG2-CG 4.03Å; V271-S285 WeakPolarHBondContact CG1-OG 3.47Å; V271-I288 HydrophobicContact CG2-CD1 4.07Å; V271-T331 HydrophobicContact CG1-CG2 3.75Å
272	F	90.4	Very high	89.4	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.5	-179.8	-65.1	-66.3	0	0	0	113.2	I269 L270 S327 V330 T331 F466 L467 F470	I269-F272 PolarHBondContact O-N 2.93Å; L270-F272 VanDerWaalsContact C-N 3.27Å; L270-F272 PolarHBondContact O-N 3.37Å; F272-S327 WeakPolarHBondContact CE2-OG 3.34Å; F272-S327 WeakPolarHBondContact CZ-OG 3.41Å; F272-V330 HydrophobicContact CE1-CB 4.46Å; F272-V330 HydrophobicContact CE1-CG1 3.87Å; F272-V330 HydrophobicContact CZ-CG1 4.36Å; F272-T331 HydrophobicContact CD1-CG2 4.32Å; F272-T331 HydrophobicContact CE1-CG2 3.85Å; F272-F466 HydrophobicContact CD1-CB 4.04Å; F272-F466 HydrophobicContact CE1-CB 3.86Å; F272-F466 HydrophobicContact CZ-CB 4.19Å; F272-L467 HydrophobicContact CB-CB 3.78Å; F272-L467 HydrophobicContact CB-CD1 4.29Å; F272-L467 HydrophobicContact CB-CG 4.28Å; F272-F470 HydrophobicContact CD2-CD2 4.37Å; F272-F470 HydrophobicContact CE2-CB 3.98Å; F272-F470 HydrophobicContact CE2-CD1 4.49Å; F272-F470 AromaticContact CE2-CD2 3.39Å; F272-F470 HydrophobicContact CE2-CD2 3.39Å; F272-F470 AromaticContact CE2-CE2 3.96Å; F272-F470 HydrophobicContact CE2-CE2 3.96Å; F272-F470 AromaticContact CE2-CG 3.71Å; F272-F470 HydrophobicContact CE2-CG 3.71Å; F272-F470 AromaticContact CZ-CD2 3.5Å; F272-F470 HydrophobicContact CZ-CD2 3.5Å; F272-F470 VanDerWaalsContact CZ-CD2 3.5Å; F272-F470 AromaticContact CZ-CE2 3.57Å; F272-F470 HydrophobicContact CZ-CE2 3.57Å; F272-F470 HydrophobicContact CZ-CG 4.21Å; F272-F470 HydrophobicContact CZ-CZ 4.33Å
273	Y	89.6	Confident	89.7	Confident	185 Å²	185	52.6 Å²	52.6	73%	0.725	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.3	175.1	-171.4	-100.9	0	0	0	112.7	L270 V271 L467	L270-Y273 WeakPolarHBondContact O-CB 3.3Å; L270-Y273 PolarHBondContact O-N 3.21Å; V271-Y273 PolarHBondContact O-N 3.4Å; Y273-L467 HydrophobicContact CD2-CD1 4.36Å
274	L	90.9	Very high	89.8	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.267	29%	0.293	S	S	.	.	S	Bend	trans	-61	141.5	177.1	-164.8	69.6	0	0	0	109.9	L270 V271 E280 K281	L270-L274 PolarHBondContact O-N 2.86Å; V271-L274 WeakPolarHBondContact O-CB 3.29Å; V271-L274 PolarHBondContact O-N 3Å; L274-E280 HydrophobicContact CD2-CB 4.15Å; L274-K281 HydrophobicContact CB-CG 4.22Å; L274-K281 HydrophobicContact CD2-CG 3.92Å; L274-K281 HydrophobicContact CG-CG 4.37Å; L274-K281 WeakPolarHBondContact O-CE 3.48Å; L274-K281 PolarHBondContact O-NZ 3.11Å
275	P	90.9	Very high	89.9	Confident	70 Å²	70	52.9 Å²	52.9	46%	0.455	29%	0.289	S	S	.	.			trans	-74	145.6	173.9	27.7	-32.5	0	0	0	111.6	D277 S278	P275-D277 VanDerWaalsContact C-N 3.25Å; P275-D277 PolarHBondContact O-N 3.38Å; P275-S278 PolarHBondContact O-N 3.15Å
276	S	89.5	Confident	90.4	Very high	2 Å²	2	56 Å²	56	1%	0.014	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-68.5	-21.5	-179.3	-64.7	0	0	0	0	113.8	S278 K281	S276-S278 PolarHBondContact O-N 3.06Å; S276-K281 PolarHBondContact OG-NZ 3.33Å
277	D	89.2	Confident	90.8	Very high	100 Å²	100	53.8 Å²	53.8	54%	0.535	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-68	-20.6	179.2	-70.9	-47.2	0	0	0	113.4	P275 G279 H338 R456	P275-D277 VanDerWaalsContact C-N 3.25Å; P275-D277 PolarHBondContact O-N 3.38Å; D277-G279 VanDerWaalsContact C-N 3.31Å; D277-G279 PolarHBondContact O-N 3.08Å; D277-H338 IonicContact OD1-CE1 3.58Å; D277-H338 PolarHBondContact OD1-CE1 3.35Å; D277-H338 IonicContact OD1-NE2 3.29Å; D277-R456 IonicContact OD1-NH2 3.93Å
278	S	89.1	Confident	90.9	Very high	64 Å²	64	50.6 Å²	50.6	45%	0.448	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.9	-19.8	-178.8	-61.2	0	0	0	0	114.1	P275 S276 E280	P275-S278 PolarHBondContact O-N 3.15Å; S276-S278 PolarHBondContact O-N 3.06Å; S278-E280 PolarHBondContact O-N 3.2Å
279	G	89.7	Confident	91.2	Very high	50 Å²	50	51.9 Å²	51.9	52%	0.515	30%	0.296	S	S	.	.	S	Bend	trans	72.7	-14.6	-174.8	0	0	0	0	0	115.7	D277 K281	D277-G279 VanDerWaalsContact C-N 3.31Å; D277-G279 PolarHBondContact O-N 3.08Å; G279-K281 PolarHBondContact O-N 2.59Å
280	E	92.3	Very high	91.6	Very high	118 Å²	118	55.1 Å²	55.1	55%	0.551	32%	0.316	S	S	*	.			trans	-83.7	-3.6	-173	-65.2	-55.5	138.2	0	0	115.6	L274 S278 V282 A283 L284	L274-E280 HydrophobicContact CD2-CB 4.15Å; S278-E280 PolarHBondContact O-N 3.2Å; E280-V282 PolarHBondContact O-N 2.89Å; E280-A283 PolarHBondContact O-N 3.45Å; E280-L284 PolarHBondContact O-N 3.02Å
281	K	92	Very high	91.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-56.3	-52.5	-176.5	-79.5	-172.6	169.3	178	0	113.1	L274 S276 G279 L284 S285 D463	L274-K281 HydrophobicContact CB-CG 4.22Å; L274-K281 HydrophobicContact CD2-CG 3.92Å; L274-K281 HydrophobicContact CG-CG 4.37Å; L274-K281 WeakPolarHBondContact O-CE 3.48Å; L274-K281 PolarHBondContact O-NZ 3.11Å; S276-K281 PolarHBondContact OG-NZ 3.33Å; G279-K281 PolarHBondContact O-N 2.59Å; K281-L284 PolarHBondContact O-N 3.23Å; K281-S285 PolarHBondContact O-N 3.17Å; K281-S285 VanDerWaalsContact O-N 3.09Å; K281-S285 PolarHBondContact O-OG 3.42Å; K281-D463 IonicContact NZ-OD1 3.53Å; K281-D463 IonicContact NZ-OD2 3.04Å; K281-D463 PolarHBondContact NZ-OD2 3.39Å
282	V	92.4	Very high	92	Very high	51 Å²	51	53.6 Å²	53.6	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-40.4	-177.1	179.7	0	0	0	0	110.4	E280 L284 S285 V286 L335	E280-V282 PolarHBondContact O-N 2.89Å; V282-L284 PolarHBondContact O-N 3.35Å; V282-S285 PolarHBondContact O-N 2.93Å; V282-V286 HydrophobicContact CG1-CG2 4.08Å; V282-V286 WeakPolarHBondContact O-CB 3.37Å; V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.48Å; V282-V286 PolarHBondContact O-N 3.38Å; V282-L335 HydrophobicContact CG2-CD1 3.46Å; V282-L335 VanDerWaalsContact CG2-CD1 3.46Å
283	A	93.3	Very high	92.1	Very high	45 Å²	45	56 Å²	56	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-45.3	178.2	0	0	0	0	0	111.6	E280 S287	E280-A283 PolarHBondContact O-N 3.45Å; A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 2.85Å; A283-S287 PolarHBondContact O-OG 3.04Å
284	L	92.5	Very high	92.3	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.335	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-47.4	175.5	-178.9	61.9	0	0	0	111.7	V271 E280 K281 V282 V286 S287 I288	V271-L284 HydrophobicContact CG2-CD2 3.86Å; V271-L284 HydrophobicContact CG2-CG 4.03Å; E280-L284 PolarHBondContact O-N 3.02Å; K281-L284 PolarHBondContact O-N 3.23Å; V282-L284 PolarHBondContact O-N 3.35Å; L284-V286 PolarHBondContact O-N 3.01Å; L284-S287 PolarHBondContact O-N 3.49Å; L284-I288 HydrophobicContact CD1-CD1 4.23Å; L284-I288 HydrophobicContact CG-CD1 4.08Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 3.32Å
285	S	91.9	Very high	92.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-42.8	-179.6	-53.7	0	0	0	0	113.2	V271 K281 V282 I288 L289	V271-S285 WeakPolarHBondContact CG1-OG 3.47Å; K281-S285 PolarHBondContact O-N 3.17Å; K281-S285 VanDerWaalsContact O-N 3.09Å; K281-S285 PolarHBondContact O-OG 3.42Å; V282-S285 PolarHBondContact O-N 2.93Å; S285-I288 PolarHBondContact O-N 3.3Å; S285-L289 PolarHBondContact O-N 2.98Å; S285-L289 VanDerWaalsContact O-N 3.07Å
286	V	93.5	Very high	92.3	Very high	65 Å²	65	52.8 Å²	52.8	39%	0.394	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-40.6	177.3	172.1	0	0	0	0	110.6	V282 L284 I288 L289 V290 I328	V282-V286 HydrophobicContact CG1-CG2 4.08Å; V282-V286 WeakPolarHBondContact O-CB 3.37Å; V282-V286 VanDerWaalsContact O-CG2 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.48Å; V282-V286 PolarHBondContact O-N 3.38Å; L284-V286 PolarHBondContact O-N 3.01Å; V286-I288 VanDerWaalsContact C-N 3.31Å; V286-I288 PolarHBondContact O-N 3.47Å; V286-L289 WeakPolarHBondContact O-CB 3.37Å; V286-L289 PolarHBondContact O-N 3.37Å; V286-V290 HydrophobicContact CG1-CG2 4.5Å; V286-V290 WeakPolarHBondContact O-CG2 3.23Å; V286-V290 PolarHBondContact O-N 3.36Å; V286-I328 HydrophobicContact CG2-CD1 4.49Å
287	S	94.2	Very high	92.5	Very high	74 Å²	74	56.9 Å²	56.9	52%	0.517	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-39.8	176.8	-59.1	0	0	0	0	112	A283 L284 V290 C291	A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 2.85Å; A283-S287 PolarHBondContact O-OG 3.04Å; L284-S287 PolarHBondContact O-N 3.49Å; S287-V290 PolarHBondContact O-N 3.21Å; S287-C291 WeakPolarHBondContact O-CB 3.39Å; S287-C291 PolarHBondContact O-N 2.97Å
288	I	93.7	Very high	92.6	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-43.5	174.8	-66.7	162.5	0	0	0	111.1	I264 L267 T268 V271 L284 S285 V286 V290 C291 L292 V324	I264-I288 HydrophobicContact CG2-CG2 3.65Å; L267-I288 HydrophobicContact CB-CD1 3.76Å; L267-I288 HydrophobicContact CB-CG1 4.36Å; T268-I288 HydrophobicContact CG2-CD1 4.42Å; T268-I288 HydrophobicContact CG2-CG2 3.67Å; V271-I288 HydrophobicContact CG2-CD1 4.07Å; L284-I288 HydrophobicContact CD1-CD1 4.23Å; L284-I288 HydrophobicContact CG-CD1 4.08Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 3.32Å; S285-I288 PolarHBondContact O-N 3.3Å; V286-I288 VanDerWaalsContact C-N 3.31Å; V286-I288 PolarHBondContact O-N 3.47Å; I288-V290 PolarHBondContact O-N 3.26Å; I288-C291 WeakPolarHBondContact O-CB 3.33Å; I288-C291 PolarHBondContact O-N 3.36Å; I288-L292 HydrophobicContact CG2-CD1 4.17Å; I288-L292 HydrophobicContact CG2-CG 4.41Å; I288-L292 WeakPolarHBondContact O-CG 3.16Å; I288-L292 PolarHBondContact O-N 3.18Å; I288-V324 HydrophobicContact CG2-CG2 4.25Å
289	L	93.9	Very high	92.7	Very high	45 Å²	45	52.7 Å²	52.7	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-47.7	177.3	-178	62.5	0	0	0	111.5	S285 V286 C291 L292 T293 V324 I328	S285-L289 PolarHBondContact O-N 2.98Å; S285-L289 VanDerWaalsContact O-N 3.07Å; V286-L289 WeakPolarHBondContact O-CB 3.37Å; V286-L289 PolarHBondContact O-N 3.37Å; L289-C291 VanDerWaalsContact C-N 3.31Å; L289-C291 PolarHBondContact O-N 3.44Å; L289-L292 PolarHBondContact O-N 2.98Å; L289-T293 PolarHBondContact O-N 2.93Å; L289-T293 PolarHBondContact O-OG1 2.89Å; L289-T293 VanDerWaalsContact O-OG1 3.05Å; L289-V324 HydrophobicContact CB-CG1 3.89Å; L289-V324 HydrophobicContact CD1-CG1 4.19Å; L289-I328 HydrophobicContact CB-CD1 4.25Å; L289-I328 HydrophobicContact CD2-CD1 3.87Å
290	V	95.3	Very high	92.7	Very high	81 Å²	81	53.9 Å²	53.9	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-43.1	177	173.4	0	0	0	0	110.9	V286 S287 I288 T293 M294	V286-V290 HydrophobicContact CG1-CG2 4.5Å; V286-V290 WeakPolarHBondContact O-CG2 3.23Å; V286-V290 PolarHBondContact O-N 3.36Å; S287-V290 PolarHBondContact O-N 3.21Å; I288-V290 PolarHBondContact O-N 3.26Å; V290-T293 WeakPolarHBondContact O-CB 3.21Å; V290-T293 PolarHBondContact O-N 3.43Å; V290-M294 WeakPolarHBondContact O-CG 3.44Å; V290-M294 PolarHBondContact O-N 2.92Å
291	C	94.3	Very high	92.7	Very high	42 Å²	42	54.8 Å²	54.8	28%	0.284	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-47	177.2	-163.5	0	0	0	0	111.7	I264 S287 I288 L289 T293 M294 F295	I264-C291 WeakPolarHBondContact CD1-SG 3.43Å; S287-C291 WeakPolarHBondContact O-CB 3.39Å; S287-C291 PolarHBondContact O-N 2.97Å; I288-C291 WeakPolarHBondContact O-CB 3.33Å; I288-C291 PolarHBondContact O-N 3.36Å; L289-C291 VanDerWaalsContact C-N 3.31Å; L289-C291 PolarHBondContact O-N 3.44Å; C291-T293 VanDerWaalsContact C-N 3.31Å; C291-T293 PolarHBondContact O-N 3.32Å; C291-M294 WeakPolarHBondContact O-CB 3.29Å; C291-M294 PolarHBondContact O-N 2.83Å; C291-M294 VanDerWaalsContact O-N 3.14Å; C291-F295 VanDerWaalsContact O-CD2 3.26Å; C291-F295 WeakPolarHBondContact O-CD2 3.34Å; C291-F295 PolarHBondContact O-N 2.94Å
292	L	92.6	Very high	92.5	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-38.6	175.2	-70.4	174.8	0	0	0	112	I264 I288 L289 M294 F295 F296 L317 M321 V324	I264-L292 HydrophobicContact CG2-CD2 3.97Å; I264-L292 HydrophobicContact CG2-CG 4.11Å; I288-L292 HydrophobicContact CG2-CD1 4.17Å; I288-L292 HydrophobicContact CG2-CG 4.41Å; I288-L292 WeakPolarHBondContact O-CG 3.16Å; I288-L292 PolarHBondContact O-N 3.18Å; L289-L292 PolarHBondContact O-N 2.98Å; L292-M294 VanDerWaalsContact C-N 3.33Å; L292-M294 PolarHBondContact O-N 3.48Å; L292-F295 PolarHBondContact O-N 3.43Å; L292-F296 PolarHBondContact O-N 3.26Å; L292-L317 HydrophobicContact CD2-CD2 4.19Å; L292-M321 HydrophobicContact CB-CE 4.15Å; L292-M321 HydrophobicContact CB-CG 4.21Å; L292-M321 WeakPolarHBondContact O-CE 3.47Å; L292-V324 HydrophobicContact CD1-CB 4.46Å; L292-V324 HydrophobicContact CD1-CG2 3.8Å
293	T	93.1	Very high	92.4	Very high	58 Å²	58	55.7 Å²	55.7	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-38.8	174.6	-56.2	0	0	0	0	112	L289 V290 C291 F296 N297 M321	L289-T293 PolarHBondContact O-N 2.93Å; L289-T293 PolarHBondContact O-OG1 2.89Å; L289-T293 VanDerWaalsContact O-OG1 3.05Å; V290-T293 WeakPolarHBondContact O-CB 3.21Å; V290-T293 PolarHBondContact O-N 3.43Å; C291-T293 VanDerWaalsContact C-N 3.31Å; C291-T293 PolarHBondContact O-N 3.32Å; T293-F296 PolarHBondContact O-N 3.01Å; T293-N297 PolarHBondContact O-N 3.49Å; T293-N297 PolarHBondContact O-ND2 3.05Å; T293-M321 VanDerWaalsContact CA-CE 3.5Å
294	M	93.4	Very high	92.2	Very high	129 Å²	129	53.8 Å²	53.8	64%	0.635	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-43.6	173.8	-68.1	-177.2	73.8	0	0	112.1	V290 C291 L292 F296 N297 L298	V290-M294 WeakPolarHBondContact O-CG 3.44Å; V290-M294 PolarHBondContact O-N 2.92Å; C291-M294 WeakPolarHBondContact O-CB 3.29Å; C291-M294 PolarHBondContact O-N 2.83Å; C291-M294 VanDerWaalsContact O-N 3.14Å; L292-M294 VanDerWaalsContact C-N 3.33Å; L292-M294 PolarHBondContact O-N 3.48Å; M294-F296 VanDerWaalsContact C-N 3.3Å; M294-F296 PolarHBondContact O-N 3.45Å; M294-N297 PolarHBondContact O-N 2.7Å; M294-L298 PolarHBondContact O-N 3.23Å
295	F	91.8	Very high	92	Very high	40 Å²	40	56.8 Å²	56.8	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-36.1	175.1	-82	-72.6	0	0	0	112.8	P260 I264 C291 L292 L298 L299 L317	P260-F295 HydrophobicContact CB-CE1 4.27Å; P260-F295 HydrophobicContact CB-CZ 3.9Å; I264-F295 HydrophobicContact CD1-CD2 3.83Å; I264-F295 HydrophobicContact CD1-CE2 3.22Å; I264-F295 HydrophobicContact CD1-CZ 4.05Å; C291-F295 VanDerWaalsContact O-CD2 3.26Å; C291-F295 WeakPolarHBondContact O-CD2 3.34Å; C291-F295 PolarHBondContact O-N 2.94Å; L292-F295 PolarHBondContact O-N 3.43Å; F295-L298 PolarHBondContact O-N 3.44Å; F295-L299 PolarHBondContact O-N 3.01Å; F295-L317 HydrophobicContact CB-CD2 4.27Å
296	F	91.7	Very high	91.7	Very high	70 Å²	70	58.8 Å²	58.8	31%	0.307	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-40.7	174.5	-176.7	-97.8	0	0	0	112.4	L292 T293 M294 L299 V300 L317 M321	L292-F296 PolarHBondContact O-N 3.26Å; T293-F296 PolarHBondContact O-N 3.01Å; M294-F296 VanDerWaalsContact C-N 3.3Å; M294-F296 PolarHBondContact O-N 3.45Å; F296-L299 WeakPolarHBondContact O-CB 3.44Å; F296-L299 PolarHBondContact O-N 3.01Å; F296-V300 HydrophobicContact CD1-CG2 4.16Å; F296-V300 HydrophobicContact CE1-CG2 3.78Å; F296-V300 HydrophobicContact CZ-CG2 4.02Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.23Å; F296-L317 HydrophobicContact CB-CD1 4.44Å; F296-L317 HydrophobicContact CD2-CB 4.29Å; F296-L317 HydrophobicContact CD2-CD1 4.43Å; F296-M321 HydrophobicContact CB-CE 3.35Å; F296-M321 HydrophobicContact CD2-CE 4.41Å; F296-M321 HydrophobicContact CG-CE 3.91Å
297	N	92.4	Very high	91.3	Very high	87 Å²	87	61.5 Å²	61.5	47%	0.465	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-43.4	173.8	-72.3	-23.9	0	0	0	111.7	T293 M294 L299 V300 E301	T293-N297 PolarHBondContact O-N 3.49Å; T293-N297 PolarHBondContact O-ND2 3.05Å; M294-N297 PolarHBondContact O-N 2.7Å; N297-L299 VanDerWaalsContact C-N 3.27Å; N297-L299 PolarHBondContact O-N 3.46Å; N297-V300 PolarHBondContact O-N 3.47Å; N297-E301 PolarHBondContact O-N 3.3Å
298	L	92.1	Very high	91	Very high	75 Å²	75	65.5 Å²	65.5	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-56.9	-43.1	174.1	-177.8	72.5	0	0	0	111.3	M294 F295 E301 I302	M294-L298 PolarHBondContact O-N 3.23Å; F295-L298 PolarHBondContact O-N 3.44Å; L298-E301 PolarHBondContact O-N 3.21Å; L298-I302 HydrophobicContact CD1-CD1 4.46Å; L298-I302 HydrophobicContact CG-CD1 4.13Å; L298-I302 WeakPolarHBondContact O-CD1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.27Å
299	L	90.7	Very high	90.7	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-46.4	176.8	179.5	67.6	0	0	0	111.6	F157 F295 F296 N297 E301 I302 I303 I313 L317	F157-L299 HydrophobicContact CD1-CD1 4.38Å; F157-L299 HydrophobicContact CE1-CD1 4.17Å; F295-L299 PolarHBondContact O-N 3.01Å; F296-L299 WeakPolarHBondContact O-CB 3.44Å; F296-L299 PolarHBondContact O-N 3.01Å; N297-L299 VanDerWaalsContact C-N 3.27Å; N297-L299 PolarHBondContact O-N 3.46Å; L299-E301 PolarHBondContact O-N 3.39Å; L299-I302 PolarHBondContact O-N 2.96Å; L299-I302 VanDerWaalsContact O-N 3.14Å; L299-I303 HydrophobicContact CD1-CG2 3.79Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 HydrophobicContact CG-CG2 4.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.48Å; L299-I303 PolarHBondContact O-N 3.36Å; L299-I313 HydrophobicContact CD1-CG2 3.54Å; L299-I313 HydrophobicContact CD2-CG2 3.81Å; L299-I313 HydrophobicContact CG-CG2 4.35Å; L299-L317 HydrophobicContact CB-CD1 4.4Å; L299-L317 HydrophobicContact CD2-CD1 3.91Å
300	V	90.5	Very high	90.4	Very high	75 Å²	75	70.7 Å²	70.7	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-28.9	179.8	171.7	0	0	0	0	112.4	F296 N297	F296-V300 HydrophobicContact CD1-CG2 4.16Å; F296-V300 HydrophobicContact CE1-CG2 3.78Å; F296-V300 HydrophobicContact CZ-CG2 4.02Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.23Å; N297-V300 PolarHBondContact O-N 3.47Å
301	E	91	Very high	90.2	Very high	138 Å²	138	67.1 Å²	67.1	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-73.2	-29.3	175.7	-73.9	-178	179.2	0	0	113.4	N297 L298 L299	N297-E301 PolarHBondContact O-N 3.3Å; L298-E301 PolarHBondContact O-N 3.21Å; L299-E301 PolarHBondContact O-N 3.39Å
302	I	88.5	Confident	89.9	Confident	47 Å²	47	65.7 Å²	65.7	24%	0.241	36%	0.362	C	S	.	.	H	α-helix	trans	-86.3	-44.8	-177.4	-62.8	164.4	0	0	0	111.2	F157 L298 L299	F157-I302 HydrophobicContact CZ-CG2 4.2Å; L298-I302 HydrophobicContact CD1-CD1 4.46Å; L298-I302 HydrophobicContact CG-CD1 4.13Å; L298-I302 WeakPolarHBondContact O-CD1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.27Å; L299-I302 PolarHBondContact O-N 2.96Å; L299-I302 VanDerWaalsContact O-N 3.14Å
303	I	89.4	Confident	89.6	Confident	25 Å²	25	66.2 Å²	66.2	13%	0.128	37%	0.365	C	S	.	.	S	Bend	trans	-78.2	150.5	-175.5	68.7	-178.8	0	0	0	112	L299 P311	L299-I303 HydrophobicContact CD1-CG2 3.79Å; L299-I303 HydrophobicContact CG-CD1 4.26Å; L299-I303 HydrophobicContact CG-CG2 4.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.48Å; L299-I303 PolarHBondContact O-N 3.36Å; I303-P311 HydrophobicContact CD1-CG 3.99Å
304	P	90.5	Very high	89.5	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.026	35%	0.35	C	S	.	.			trans	-62.3	149.7	167.6	25.4	-33.6	0	0	0	111.6	E67 Q70 I154 T306	E67-P304 WeakPolarHBondContact O-CB 3.48Å; Q70-P304 HydrophobicContact CG-CB 4.47Å; I154-P304 HydrophobicContact CG2-CG 3.81Å; P304-T306 HydrophobicContact CB-CG2 4.22Å; P304-T306 PolarHBondContact O-N 2.99Å
305	S	87	Confident	89.3	Confident	127 Å²	127	61.3 Å²	61.3	89%	0.888	34%	0.336	S	S	*	.			trans	-78.3	43.3	177.4	61.4	0	0	0	0	112.8
306	T	85.5	Confident	89.2	Confident	44 Å²	44	60 Å²	60	27%	0.27	33%	0.33	S	S	.	.			trans	-82.3	138.6	178.6	49.5	0	0	0	0	111	P304	P304-T306 HydrophobicContact CB-CG2 4.22Å; P304-T306 PolarHBondContact O-N 2.99Å
307	S	86.3	Confident	89.2	Confident	123 Å²	123	56.7 Å²	56.7	86%	0.86	32%	0.316	S	S	*	.	S	Bend	trans	-101.7	10.8	179.7	66.1	0	0	0	0	113.6
308	L	86.6	Confident	89.1	Confident	157 Å²	157	57 Å²	57	82%	0.822	32%	0.317	S	S	*	.	S	Bend	trans	-74.3	-47.3	-176.1	-65.8	175.1	0	0	0	111.2
309	I	87.9	Confident	89.1	Confident	63 Å²	63	56.2 Å²	56.2	32%	0.323	31%	0.31	S	S	.	.			trans	-144.8	142.5	-174	-54.5	173	0	0	0	108.4	E155	E155-I309 HydrophobicContact CB-CD1 4.46Å; E155-I309 HydrophobicContact CB-CG2 3.9Å; E155-I309 HydrophobicContact CG-CG2 3.9Å
310	I	87	Confident	89.1	Confident	99 Å²	99	56.3 Å²	56.3	51%	0.508	31%	0.311	S	S	.	.			trans	-90.4	129.7	173.4	-57.2	171.7	0	0	0	108.5	K315	I310-K315 HydrophobicContact CB-CG 4.28Å; I310-K315 HydrophobicContact CG2-CG 3.91Å; I310-K315 VanDerWaalsContact O-CE 3.23Å; I310-K315 WeakPolarHBondContact O-CE 3.38Å
311	P	91.2	Very high	89.2	Confident	6 Å²	6	54 Å²	54	4%	0.039	30%	0.296	C	S	.	.			trans	-64	151.6	-178.3	26.6	-34.8	0	0	0	112	I154 F157 I303 I313 G314 K315	I154-P311 HydrophobicContact CB-CB 4.41Å; I154-P311 HydrophobicContact CD1-CG 4.34Å; I154-P311 HydrophobicContact CG1-CB 4.48Å; I154-P311 VanDerWaalsContact O-CA 3.31Å; I154-P311 WeakPolarHBondContact O-CA 3.22Å; I154-P311 WeakPolarHBondContact O-CB 3.31Å; F157-P311 HydrophobicContact CB-CB 4.37Å; I303-P311 HydrophobicContact CD1-CG 3.99Å; P311-I313 VanDerWaalsContact C-N 3.3Å; P311-I313 HydrophobicContact CB-CG2 4.3Å; P311-I313 PolarHBondContact O-N 2.97Å; P311-G314 CarbonylContact O-C 3.49Å; P311-G314 WeakPolarHBondContact O-CA 3.25Å; P311-G314 PolarHBondContact O-N 2.88Å; P311-K315 PolarHBondContact O-N 3Å
312	L	87.9	Confident	89.3	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-52.2	-46.8	179.1	-170.3	72.5	0	0	0	112.5	E155 W156 G314 K315 Y316 I481 Q484 A485	E155-L312 PolarHBondContact O-N 3.25Å; W156-L312 HydrophobicContact CE3-CD1 4.36Å; W156-L312 HydrophobicContact CE3-CD2 4.24Å; W156-L312 HydrophobicContact CZ3-CD1 3.96Å; W156-L312 HydrophobicContact CZ3-CD2 4.44Å; L312-G314 VanDerWaalsContact C-N 3.3Å; L312-G314 PolarHBondContact O-N 3.44Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 3.38Å; L312-Y316 PolarHBondContact O-N 3.03Å; L312-I481 HydrophobicContact CD1-CG2 3.62Å; L312-I481 HydrophobicContact CD2-CG2 4.43Å; L312-I481 HydrophobicContact CG-CG2 3.76Å; L312-Q484 HydrophobicContact CD1-CB 4.47Å; L312-A485 HydrophobicContact CD2-CB 3.93Å
313	I	87.5	Confident	89.4	Confident	11 Å²	11	50.1 Å²	50.1	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-32.8	177	-171.9	62.3	0	0	0	112.6	F157 L257 L299 P311 Y316 L317	F157-I313 HydrophobicContact CD1-CG2 3.85Å; F157-I313 HydrophobicContact CE1-CG2 4.48Å; L257-I313 HydrophobicContact CD2-CD1 3.66Å; L257-I313 HydrophobicContact CD2-CG1 3.5Å; L257-I313 VanDerWaalsContact CD2-CG1 3.5Å; L299-I313 HydrophobicContact CD1-CG2 3.54Å; L299-I313 HydrophobicContact CD2-CG2 3.81Å; L299-I313 HydrophobicContact CG-CG2 4.35Å; P311-I313 VanDerWaalsContact C-N 3.3Å; P311-I313 HydrophobicContact CB-CG2 4.3Å; P311-I313 PolarHBondContact O-N 2.97Å; I313-Y316 HydrophobicContact CD1-CD1 4.21Å; I313-Y316 WeakPolarHBondContact O-CB 3.37Å; I313-Y316 PolarHBondContact O-N 2.93Å; I313-L317 HydrophobicContact CG1-CD1 4.5Å; I313-L317 WeakPolarHBondContact O-CG 3.25Å; I313-L317 PolarHBondContact O-N 3.43Å
314	G	89.9	Confident	89.6	Confident	4 Å²	4	49.2 Å²	49.2	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-41.6	173.7	0	0	0	0	0	111.8	P311 L312 Y316 L317 L318	P311-G314 CarbonylContact O-C 3.49Å; P311-G314 WeakPolarHBondContact O-CA 3.25Å; P311-G314 PolarHBondContact O-N 2.88Å; L312-G314 VanDerWaalsContact C-N 3.3Å; L312-G314 PolarHBondContact O-N 3.44Å; G314-Y316 VanDerWaalsContact C-N 3.32Å; G314-Y316 PolarHBondContact O-N 3.48Å; G314-L317 PolarHBondContact O-N 3.26Å; G314-L318 WeakPolarHBondContact O-CB 3.21Å; G314-L318 PolarHBondContact O-N 2.87Å
315	K	89.6	Confident	89.7	Confident	80 Å²	80	52.6 Å²	52.6	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-42.3	172	-67.3	173.1	-178.9	160.1	0	111.1	I310 P311 L312 F319	I310-K315 HydrophobicContact CB-CG 4.28Å; I310-K315 HydrophobicContact CG2-CG 3.91Å; I310-K315 VanDerWaalsContact O-CE 3.23Å; I310-K315 WeakPolarHBondContact O-CE 3.38Å; P311-K315 PolarHBondContact O-N 3Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 3.38Å; K315-F319 VanDerWaalsContact O-CB 3.29Å; K315-F319 WeakPolarHBondContact O-CB 3.24Å; K315-F319 PolarHBondContact O-N 3.14Å
316	Y	90.1	Very high	90	Very high	12 Å²	12	51 Å²	51	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-51.4	176	-177.8	-110.8	0	0	0	112.4	C261 I262 S265 L312 I313 G314 L318 F319 T320 F474 T478 I481	C261-Y316 HydrophobicContact CB-CE1 4.33Å; C261-Y316 WeakPolarHBondContact SG-CE1 3.12Å; I262-Y316 HydrophobicContact CG1-CE1 4.49Å; S265-Y316 PolarHBondContact OG-OH 3.26Å; L312-Y316 PolarHBondContact O-N 3.03Å; I313-Y316 HydrophobicContact CD1-CD1 4.21Å; I313-Y316 WeakPolarHBondContact O-CB 3.37Å; I313-Y316 PolarHBondContact O-N 2.93Å; G314-Y316 VanDerWaalsContact C-N 3.32Å; G314-Y316 PolarHBondContact O-N 3.48Å; Y316-L318 VanDerWaalsContact C-N 3.35Å; Y316-L318 PolarHBondContact O-N 2.75Å; Y316-F319 WeakPolarHBondContact O-CB 3.28Å; Y316-F319 PolarHBondContact O-N 3.2Å; Y316-T320 HydrophobicContact CD2-CG2 4.39Å; Y316-T320 HydrophobicContact CE1-CG2 4.15Å; Y316-T320 HydrophobicContact CE2-CG2 4Å; Y316-T320 WeakPolarHBondContact O-CG2 3.32Å; Y316-T320 PolarHBondContact O-N 2.99Å; Y316-T320 PolarHBondContact O-OG1 2.93Å; Y316-F474 HydrophobicContact CE2-CE2 4.48Å; Y316-F474 WeakPolarHBondContact OH-CZ 3.44Å; Y316-T478 HydrophobicContact CE2-CG2 4.15Å; Y316-I481 HydrophobicContact CD2-CD1 4.06Å
317	L	91.3	Very high	90.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-40.8	178.6	-77	171.8	0	0	0	112.3	C261 L292 F295 F296 L299 I313 G314 T320 M321	C261-L317 WeakPolarHBondContact SG-CD2 3.39Å; L292-L317 HydrophobicContact CD2-CD2 4.19Å; F295-L317 HydrophobicContact CB-CD2 4.27Å; F296-L317 HydrophobicContact CB-CD1 4.44Å; F296-L317 HydrophobicContact CD2-CB 4.29Å; F296-L317 HydrophobicContact CD2-CD1 4.43Å; L299-L317 HydrophobicContact CB-CD1 4.4Å; L299-L317 HydrophobicContact CD2-CD1 3.91Å; I313-L317 HydrophobicContact CG1-CD1 4.5Å; I313-L317 WeakPolarHBondContact O-CG 3.25Å; I313-L317 PolarHBondContact O-N 3.43Å; G314-L317 PolarHBondContact O-N 3.26Å; L317-T320 WeakPolarHBondContact CA-OG1 3.47Å; L317-T320 PolarHBondContact O-N 2.92Å; L317-T320 PolarHBondContact O-OG1 3.36Å; L317-M321 WeakPolarHBondContact O-CB 3.41Å; L317-M321 WeakPolarHBondContact O-CG 3.48Å; L317-M321 PolarHBondContact O-N 2.94Å
318	L	91.4	Very high	90.6	Very high	94 Å²	94	44.7 Å²	44.7	49%	0.492	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-44.4	176.3	-172.1	75.4	0	0	0	111.3	G314 Y316 M321 V322	G314-L318 WeakPolarHBondContact O-CB 3.21Å; G314-L318 PolarHBondContact O-N 2.87Å; Y316-L318 VanDerWaalsContact C-N 3.35Å; Y316-L318 PolarHBondContact O-N 2.75Å; L318-M321 PolarHBondContact O-N 2.91Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.46Å
319	F	91.1	Very high	91	Very high	58 Å²	58	40.1 Å²	40.1	25%	0.254	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-46.9	176.3	170.1	-104.8	0	0	0	111.8	K315 Y316 V322 L323 T473 I481	K315-F319 VanDerWaalsContact O-CB 3.29Å; K315-F319 WeakPolarHBondContact O-CB 3.24Å; K315-F319 PolarHBondContact O-N 3.14Å; Y316-F319 WeakPolarHBondContact O-CB 3.28Å; Y316-F319 PolarHBondContact O-N 3.2Å; F319-V322 PolarHBondContact O-N 3Å; F319-L323 HydrophobicContact CD1-CD1 4.09Å; F319-L323 HydrophobicContact CE1-CD1 3.44Å; F319-L323 VanDerWaalsContact CE1-CD1 3.44Å; F319-L323 HydrophobicContact CE1-CG 4.38Å; F319-L323 HydrophobicContact CE2-CD1 3.94Å; F319-L323 HydrophobicContact CE2-CG 4.17Å; F319-L323 HydrophobicContact CZ-CD1 3.37Å; F319-L323 HydrophobicContact CZ-CG 4.11Å; F319-L323 WeakPolarHBondContact O-CG 3.46Å; F319-L323 PolarHBondContact O-N 2.99Å; F319-T473 HydrophobicContact CE2-CG2 4.44Å; F319-T473 HydrophobicContact CZ-CG2 4.12Å; F319-I481 HydrophobicContact CB-CD1 4.48Å; F319-I481 HydrophobicContact CD1-CD1 4.39Å
320	T	90.6	Very high	91.2	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-38.8	178.5	57.3	0	0	0	0	111.9	Y316 L317 V322 L323 V324 F474	Y316-T320 HydrophobicContact CD2-CG2 4.39Å; Y316-T320 HydrophobicContact CE1-CG2 4.15Å; Y316-T320 HydrophobicContact CE2-CG2 4Å; Y316-T320 WeakPolarHBondContact O-CG2 3.32Å; Y316-T320 PolarHBondContact O-N 2.99Å; Y316-T320 PolarHBondContact O-OG1 2.93Å; L317-T320 WeakPolarHBondContact CA-OG1 3.47Å; L317-T320 PolarHBondContact O-N 2.92Å; L317-T320 PolarHBondContact O-OG1 3.36Å; T320-V322 PolarHBondContact O-N 2.92Å; T320-L323 PolarHBondContact O-N 3.41Å; T320-V324 WeakPolarHBondContact O-CB 3.21Å; T320-V324 VanDerWaalsContact O-CG2 3.28Å; T320-V324 WeakPolarHBondContact O-CG2 3.28Å; T320-V324 PolarHBondContact O-N 3.22Å; T320-F474 HydrophobicContact CG2-CE2 4.14Å
321	M	92.3	Very high	91.5	Very high	27 Å²	27	33.6 Å²	33.6	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-44.1	173.7	-76.9	179	179	0	0	113	L292 T293 F296 L317 L318 V324 T325	L292-M321 HydrophobicContact CB-CE 4.15Å; L292-M321 HydrophobicContact CB-CG 4.21Å; L292-M321 WeakPolarHBondContact O-CE 3.47Å; T293-M321 VanDerWaalsContact CA-CE 3.5Å; F296-M321 HydrophobicContact CB-CE 3.35Å; F296-M321 HydrophobicContact CD2-CE 4.41Å; F296-M321 HydrophobicContact CG-CE 3.91Å; L317-M321 WeakPolarHBondContact O-CB 3.41Å; L317-M321 WeakPolarHBondContact O-CG 3.48Å; L317-M321 PolarHBondContact O-N 2.94Å; L318-M321 PolarHBondContact O-N 2.91Å; M321-V324 PolarHBondContact O-N 3.45Å; M321-T325 WeakPolarHBondContact O-CB 3.49Å; M321-T325 PolarHBondContact O-N 3.04Å; M321-T325 PolarHBondContact O-OG1 2.91Å
322	V	92.9	Very high	91.6	Very high	81 Å²	81	37.1 Å²	37.1	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176.5	171.4	0	0	0	0	110.4	L318 F319 T320 V324 T325 L326	L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.46Å; F319-V322 PolarHBondContact O-N 3Å; T320-V322 PolarHBondContact O-N 2.92Å; V322-V324 PolarHBondContact O-N 3.5Å; V322-T325 PolarHBondContact O-N 3.07Å; V322-L326 HydrophobicContact CG1-CD1 4.13Å; V322-L326 WeakPolarHBondContact O-CG 3.24Å; V322-L326 PolarHBondContact O-N 3.06Å
323	L	91.8	Very high	91.9	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.5	-74.3	-177	0	0	0	112.7	F319 T320 L326 S327 F470 T473	F319-L323 HydrophobicContact CD1-CD1 4.09Å; F319-L323 HydrophobicContact CE1-CD1 3.44Å; F319-L323 VanDerWaalsContact CE1-CD1 3.44Å; F319-L323 HydrophobicContact CE1-CG 4.38Å; F319-L323 HydrophobicContact CE2-CD1 3.94Å; F319-L323 HydrophobicContact CE2-CG 4.17Å; F319-L323 HydrophobicContact CZ-CD1 3.37Å; F319-L323 HydrophobicContact CZ-CG 4.11Å; F319-L323 WeakPolarHBondContact O-CG 3.46Å; F319-L323 PolarHBondContact O-N 2.99Å; T320-L323 PolarHBondContact O-N 3.41Å; L323-L326 PolarHBondContact O-N 2.92Å; L323-S327 VanDerWaalsContact O-CB 3.31Å; L323-S327 WeakPolarHBondContact O-CB 3.48Å; L323-S327 PolarHBondContact O-N 3.12Å; L323-F470 HydrophobicContact CD2-CD1 4.25Å; L323-F470 HydrophobicContact CD2-CE1 4.18Å; L323-F470 WeakPolarHBondContact O-CE1 3.09Å; L323-T473 HydrophobicContact CD1-CG2 4.29Å; L323-T473 HydrophobicContact CD2-CG2 3.85Å
324	V	92.5	Very high	92.1	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-40	177.3	171.4	0	0	0	0	111.1	T268 I288 L289 L292 T320 M321 V322 S327 I328	T268-V324 HydrophobicContact CG2-CG2 3.31Å; I288-V324 HydrophobicContact CG2-CG2 4.25Å; L289-V324 HydrophobicContact CB-CG1 3.89Å; L289-V324 HydrophobicContact CD1-CG1 4.19Å; L292-V324 HydrophobicContact CD1-CB 4.46Å; L292-V324 HydrophobicContact CD1-CG2 3.8Å; T320-V324 WeakPolarHBondContact O-CB 3.21Å; T320-V324 VanDerWaalsContact O-CG2 3.28Å; T320-V324 WeakPolarHBondContact O-CG2 3.28Å; T320-V324 PolarHBondContact O-N 3.22Å; M321-V324 PolarHBondContact O-N 3.45Å; V322-V324 PolarHBondContact O-N 3.5Å; V324-S327 WeakPolarHBondContact O-CB 3.23Å; V324-S327 PolarHBondContact O-N 3.4Å; V324-I328 HydrophobicContact CG1-CD1 4.15Å; V324-I328 WeakPolarHBondContact O-CG1 3.18Å; V324-I328 PolarHBondContact O-N 3.43Å
325	T	93.2	Very high	92.2	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-43.5	176.6	-53.5	0	0	0	0	111.2	M321 V322 S327 I328 A329	M321-T325 WeakPolarHBondContact O-CB 3.49Å; M321-T325 PolarHBondContact O-N 3.04Å; M321-T325 PolarHBondContact O-OG1 2.91Å; V322-T325 PolarHBondContact O-N 3.07Å; T325-S327 VanDerWaalsContact C-N 3.33Å; T325-I328 PolarHBondContact O-N 2.9Å; T325-A329 PolarHBondContact O-N 3.06Å; T325-A329 VanDerWaalsContact O-N 3.09Å
326	L	92.9	Very high	92.3	Very high	94 Å²	94	42.5 Å²	42.5	49%	0.492	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-39.7	173	-71.2	173	0	0	0	111.6	V322 L323 I328 A329 V330 F470	V322-L326 HydrophobicContact CG1-CD1 4.13Å; V322-L326 WeakPolarHBondContact O-CG 3.24Å; V322-L326 PolarHBondContact O-N 3.06Å; L323-L326 PolarHBondContact O-N 2.92Å; L326-I328 PolarHBondContact O-N 3.29Å; L326-A329 PolarHBondContact O-N 3.46Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.31Å; L326-V330 PolarHBondContact O-N 3.38Å; L326-F470 HydrophobicContact CB-CE1 4.27Å; L326-F470 HydrophobicContact CB-CZ 4.15Å
327	S	92.5	Very high	92.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-42.8	174.7	175.8	0	0	0	0	111.7	F272 L323 V324 T325 A329 V330 T331	F272-S327 WeakPolarHBondContact CE2-OG 3.34Å; F272-S327 WeakPolarHBondContact CZ-OG 3.41Å; L323-S327 VanDerWaalsContact O-CB 3.31Å; L323-S327 WeakPolarHBondContact O-CB 3.48Å; L323-S327 PolarHBondContact O-N 3.12Å; V324-S327 WeakPolarHBondContact O-CB 3.23Å; V324-S327 PolarHBondContact O-N 3.4Å; T325-S327 VanDerWaalsContact C-N 3.33Å; S327-A329 PolarHBondContact O-N 2.89Å; S327-V330 PolarHBondContact O-N 3.31Å; S327-T331 VanDerWaalsContact O-CG2 3.28Å; S327-T331 WeakPolarHBondContact O-CG2 3.28Å; S327-T331 PolarHBondContact O-N 3.16Å; S327-T331 PolarHBondContact O-OG1 3.11Å
328	I	93.1	Very high	92.2	Very high	30 Å²	30	42.3 Å²	42.3	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174.2	-66.7	163.1	0	0	0	111.2	V286 L289 V324 T325 L326 V330 T331 V332	V286-I328 HydrophobicContact CG2-CD1 4.49Å; L289-I328 HydrophobicContact CB-CD1 4.25Å; L289-I328 HydrophobicContact CD2-CD1 3.87Å; V324-I328 HydrophobicContact CG1-CD1 4.15Å; V324-I328 WeakPolarHBondContact O-CG1 3.18Å; V324-I328 PolarHBondContact O-N 3.43Å; T325-I328 PolarHBondContact O-N 2.9Å; L326-I328 PolarHBondContact O-N 3.29Å; I328-V330 VanDerWaalsContact C-N 3.29Å; I328-V330 PolarHBondContact O-N 3.42Å; I328-T331 WeakPolarHBondContact CA-OG1 3.45Å; I328-T331 PolarHBondContact O-N 3.43Å; I328-T331 PolarHBondContact O-OG1 3.13Å; I328-V332 WeakPolarHBondContact O-CG2 3.07Å; I328-V332 PolarHBondContact O-N 2.79Å
329	A	94.1	Very high	92.1	Very high	62 Å²	62	44.2 Å²	44.2	51%	0.512	24%	0.237	S	C	.	.	H	α-helix	trans	-61.4	-40.6	177.8	0	0	0	0	0	111.9	T325 L326 S327 F333	T325-A329 PolarHBondContact O-N 3.06Å; T325-A329 VanDerWaalsContact O-N 3.09Å; L326-A329 PolarHBondContact O-N 3.46Å; S327-A329 PolarHBondContact O-N 2.89Å; A329-F333 PolarHBondContact O-N 3.48Å
330	V	92.7	Very high	92	Very high	24 Å²	24	43.9 Å²	43.9	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-43.3	176.5	170.8	0	0	0	0	111.7	F272 L326 S327 I328 V332 F333 T334 F466 F470	F272-V330 HydrophobicContact CE1-CB 4.46Å; F272-V330 HydrophobicContact CE1-CG1 3.87Å; F272-V330 HydrophobicContact CZ-CG1 4.36Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.31Å; L326-V330 PolarHBondContact O-N 3.38Å; S327-V330 PolarHBondContact O-N 3.31Å; I328-V330 VanDerWaalsContact C-N 3.29Å; I328-V330 PolarHBondContact O-N 3.42Å; V330-V332 PolarHBondContact O-N 2.88Å; V330-F333 CarbonylContact O-C 3.55Å; V330-F333 WeakPolarHBondContact O-CA 3.24Å; V330-F333 WeakPolarHBondContact O-CB 3.31Å; V330-F333 PolarHBondContact O-N 2.96Å; V330-F333 VanDerWaalsContact O-N 3.1Å; V330-T334 HydrophobicContact CG1-CG2 4.31Å; V330-T334 WeakPolarHBondContact O-CG2 3.24Å; V330-T334 PolarHBondContact O-N 3.4Å; V330-F466 HydrophobicContact CG1-CB 4.08Å; V330-F466 HydrophobicContact CG1-CD1 3.79Å; V330-F466 HydrophobicContact CG1-CD2 3.19Å; V330-F466 HydrophobicContact CG1-CE1 3.97Å; V330-F466 HydrophobicContact CG1-CE2 3.41Å; V330-F466 VanDerWaalsContact CG1-CE2 3.41Å; V330-F466 HydrophobicContact CG1-CG 3.42Å; V330-F466 VanDerWaalsContact CG1-CG 3.42Å; V330-F466 HydrophobicContact CG1-CZ 3.79Å; V330-F466 HydrophobicContact CG2-CD1 4.39Å; V330-F466 HydrophobicContact CG2-CE1 4.17Å; V330-F466 HydrophobicContact CG2-CZ 4.37Å; V330-F470 HydrophobicContact CG2-CE2 4.28Å; V330-F470 HydrophobicContact CG2-CZ 4.41Å
331	T	92.1	Very high	91.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-38.5	178.5	56.9	0	0	0	0	111.7	V271 F272 S327 I328 F333 T334 L335	V271-T331 HydrophobicContact CG1-CG2 3.75Å; F272-T331 HydrophobicContact CD1-CG2 4.32Å; F272-T331 HydrophobicContact CE1-CG2 3.85Å; S327-T331 VanDerWaalsContact O-CG2 3.28Å; S327-T331 WeakPolarHBondContact O-CG2 3.28Å; S327-T331 PolarHBondContact O-N 3.16Å; S327-T331 PolarHBondContact O-OG1 3.11Å; I328-T331 WeakPolarHBondContact CA-OG1 3.45Å; I328-T331 PolarHBondContact O-N 3.43Å; I328-T331 PolarHBondContact O-OG1 3.13Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.93Å; T331-T334 PolarHBondContact O-N 2.8Å; T331-T334 PolarHBondContact O-OG1 2.9Å; T331-L335 WeakPolarHBondContact O-CB 3.38Å; T331-L335 WeakPolarHBondContact O-CG 3.42Å; T331-L335 PolarHBondContact O-N 3.36Å
332	V	94.1	Very high	91	Very high	80 Å²	80	49.3 Å²	49.3	49%	0.485	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-38.8	171.7	172.9	0	0	0	0	111	I328 V330 N336	I328-V332 WeakPolarHBondContact O-CG2 3.07Å; I328-V332 PolarHBondContact O-N 2.79Å; V330-V332 PolarHBondContact O-N 2.88Å; V332-N336 WeakPolarHBondContact O-CB 3.26Å; V332-N336 PolarHBondContact O-N 2.7Å
333	F	93.4	Very high	90.5	Very high	103 Å²	103	50 Å²	50	45%	0.452	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-45.4	174	176.2	-97.3	0	0	0	112.6	A329 V330 T331 L335 N336 V337 L462	A329-F333 PolarHBondContact O-N 3.48Å; V330-F333 CarbonylContact O-C 3.55Å; V330-F333 WeakPolarHBondContact O-CA 3.24Å; V330-F333 WeakPolarHBondContact O-CB 3.31Å; V330-F333 PolarHBondContact O-N 2.96Å; V330-F333 VanDerWaalsContact O-N 3.1Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.93Å; F333-L335 VanDerWaalsContact C-N 3.32Å; F333-L335 PolarHBondContact O-N 3.29Å; F333-N336 WeakPolarHBondContact O-CB 3.02Å; F333-N336 PolarHBondContact O-N 2.79Å; F333-V337 HydrophobicContact CD1-CG2 4.47Å; F333-V337 HydrophobicContact CE1-CG2 4.06Å; F333-V337 HydrophobicContact CE2-CG2 4.4Å; F333-V337 HydrophobicContact CZ-CG2 4.03Å; F333-V337 WeakPolarHBondContact O-CG2 3.06Å; F333-V337 PolarHBondContact O-N 2.78Å; F333-L462 HydrophobicContact CE1-CD1 4Å
334	T	91.9	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-34.7	178.2	63.2	0	0	0	0	111.8	V330 T331 V337 H338 L462 D463 F466	V330-T334 HydrophobicContact CG1-CG2 4.31Å; V330-T334 WeakPolarHBondContact O-CG2 3.24Å; V330-T334 PolarHBondContact O-N 3.4Å; T331-T334 PolarHBondContact O-N 2.8Å; T331-T334 PolarHBondContact O-OG1 2.9Å; T334-V337 PolarHBondContact O-N 3.37Å; T334-H338 WeakPolarHBondContact O-CB 3.23Å; T334-H338 PolarHBondContact O-N 3.03Å; T334-L462 HydrophobicContact CG2-CB 3.9Å; T334-D463 WeakPolarHBondContact CB-OD1 3.39Å; T334-D463 WeakPolarHBondContact CG2-OD1 3.48Å; T334-D463 PolarHBondContact OG1-OD1 2.85Å; T334-F466 HydrophobicContact CG2-CD2 4.1Å; T334-F466 HydrophobicContact CG2-CE2 4.15Å
335	L	92.6	Very high	89.7	Confident	29 Å²	29	56.9 Å²	56.9	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-42.4	170.9	-72.3	170.7	0	0	0	112.2	V282 T331 F333 V337 H338 Y339	V282-L335 HydrophobicContact CG2-CD1 3.46Å; V282-L335 VanDerWaalsContact CG2-CD1 3.46Å; T331-L335 WeakPolarHBondContact O-CB 3.38Å; T331-L335 WeakPolarHBondContact O-CG 3.42Å; T331-L335 PolarHBondContact O-N 3.36Å; F333-L335 VanDerWaalsContact C-N 3.32Å; F333-L335 PolarHBondContact O-N 3.29Å; L335-V337 VanDerWaalsContact C-N 3.3Å; L335-V337 PolarHBondContact O-N 3.41Å; L335-H338 PolarHBondContact O-N 3.18Å; L335-Y339 HydrophobicContact CD2-CE2 4.15Å; L335-Y339 VanDerWaalsContact O-CD2 3.32Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.08Å
336	N	92.1	Very high	89	Confident	88 Å²	88	64.6 Å²	64.6	47%	0.471	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-46.7	174	-178	-66.4	0	0	0	110.5	V332 F333 R340	V332-N336 WeakPolarHBondContact O-CB 3.26Å; V332-N336 PolarHBondContact O-N 2.7Å; F333-N336 WeakPolarHBondContact O-CB 3.02Å; F333-N336 PolarHBondContact O-N 2.79Å; N336-R340 VanDerWaalsContact O-CG 3.3Å; N336-R340 WeakPolarHBondContact O-CG 3.3Å; N336-R340 PolarHBondContact O-N 2.93Å; N336-R340 PolarHBondContact OD1-NE 2.92Å; N336-R340 PolarHBondContact OD1-NH2 2.77Å
337	V	89.7	Confident	88.1	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-41.9	177.7	174.2	0	0	0	0	111.6	F333 T334 L335 Y339 R340 W455 I458 A459 L462	F333-V337 HydrophobicContact CD1-CG2 4.47Å; F333-V337 HydrophobicContact CE1-CG2 4.06Å; F333-V337 HydrophobicContact CE2-CG2 4.4Å; F333-V337 HydrophobicContact CZ-CG2 4.03Å; F333-V337 WeakPolarHBondContact O-CG2 3.06Å; F333-V337 PolarHBondContact O-N 2.78Å; T334-V337 PolarHBondContact O-N 3.37Å; L335-V337 VanDerWaalsContact C-N 3.3Å; L335-V337 PolarHBondContact O-N 3.41Å; V337-Y339 PolarHBondContact O-N 2.86Å; V337-R340 PolarHBondContact O-N 3.22Å; V337-W455 HydrophobicContact CG1-CE3 3.75Å; V337-W455 HydrophobicContact CG1-CZ3 4.03Å; V337-I458 HydrophobicContact CG1-CG2 4.06Å; V337-A459 HydrophobicContact CG1-CB 4.31Å; V337-L462 HydrophobicContact CB-CD1 4.46Å; V337-L462 HydrophobicContact CG1-CD1 4.15Å; V337-L462 HydrophobicContact CG2-CD1 4.26Å
338	H	90.1	Very high	87.5	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.028	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-40.1	-179.8	-178.8	-95.3	0	0	0	113.1	D277 T334 L335 A459	D277-H338 IonicContact OD1-CE1 3.58Å; D277-H338 PolarHBondContact OD1-CE1 3.35Å; D277-H338 IonicContact OD1-NE2 3.29Å; T334-H338 WeakPolarHBondContact O-CB 3.23Å; T334-H338 PolarHBondContact O-N 3.03Å; L335-H338 PolarHBondContact O-N 3.18Å; H338-A459 HydrophobicContact CB-CB 3.71Å
339	Y	89.3	Confident	86.9	Confident	133 Å²	133	73 Å²	73	52%	0.522	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	17.9	-179.1	-68.3	-69.3	0	0	0	113.9	L335 V337 L341	L335-Y339 HydrophobicContact CD2-CE2 4.15Å; L335-Y339 VanDerWaalsContact O-CD2 3.32Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.08Å; V337-Y339 PolarHBondContact O-N 2.86Å; Y339-L341 WeakPolarHBondContact O-CD1 3.3Å; Y339-L341 PolarHBondContact O-N 3.47Å
340	R	88.1	Confident	86.5	Confident	52 Å²	52	78.1 Å²	78.1	20%	0.196	38%	0.383	C	S	.	.			trans	-72	126.1	172.3	-72.4	-177	-176.4	-176.9	-1.3	111.2	N336 V337 W455	N336-R340 VanDerWaalsContact O-CG 3.3Å; N336-R340 WeakPolarHBondContact O-CG 3.3Å; N336-R340 PolarHBondContact O-N 2.93Å; N336-R340 PolarHBondContact OD1-NE 2.92Å; N336-R340 PolarHBondContact OD1-NH2 2.77Å; V337-R340 PolarHBondContact O-N 3.22Å; R340-W455 HydrophobicContact CB-CD2 3.82Å; R340-W455 HydrophobicContact CB-CE3 4.3Å; R340-W455 HydrophobicContact CB-CG 4Å; R340-W455 HydrophobicContact CB-CZ2 4.45Å
341	L	83.9	Confident	86	Confident	101 Å²	101	78.9 Å²	78.9	53%	0.529	39%	0.385	S	S	.	.			trans	-93	149	173.1	-79	82.2	0	0	0	111.2	Y339 A343 T344 H345	Y339-L341 WeakPolarHBondContact O-CD1 3.3Å; Y339-L341 PolarHBondContact O-N 3.47Å; L341-A343 PolarHBondContact O-N 3.13Å; L341-A343 VanDerWaalsContact O-N 3.14Å; L341-T344 PolarHBondContact N-OG1 3.5Å; L341-T344 PolarHBondContact O-N 3.18Å; L341-T344 PolarHBondContact O-OG1 3.25Å; L341-H345 PolarHBondContact O-N 2.79Å
342	P	78.9	Confident	85.4	Confident	42 Å²	42	85.4 Å²	85.4	27%	0.273	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.2	174.9	20.9	-32.4	0	0	0	113.6	T344 E448 V451	P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 3.35Å; P342-E448 HydrophobicContact CG-CB 3.98Å; P342-E448 HydrophobicContact CG-CG 3.99Å; P342-V451 HydrophobicContact CB-CB 4.19Å; P342-V451 HydrophobicContact CB-CG1 3.81Å
343	A	80.8	Confident	84.8	Confident	97 Å²	97	85.5 Å²	85.5	80%	0.802	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.6	177.3	0	0	0	0	0	113.8	L341	L341-A343 PolarHBondContact O-N 3.13Å; L341-A343 VanDerWaalsContact O-N 3.14Å
344	T	85	Confident	84.4	Confident	95 Å²	95	83.8 Å²	83.8	58%	0.583	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-34.4	-172.5	60.6	0	0	0	0	113.2	L341 P342	L341-T344 PolarHBondContact N-OG1 3.5Å; L341-T344 PolarHBondContact O-N 3.18Å; L341-T344 PolarHBondContact O-OG1 3.25Å; P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 3.35Å
345	H	83.3	Confident	84	Confident	76 Å²	76	85.4 Å²	85.4	35%	0.352	41%	0.411	S	S	.	.			trans	-135.7	128.3	-172.7	-67.7	81.1	0	0	0	110.8	L341 W455	L341-H345 PolarHBondContact O-N 2.79Å; H345-W455 HydrophobicContact CB-CZ2 4Å
346	R	78	Confident	83.3	Confident	237 Å²	237	84.4 Å²	84.4	89%	0.894	41%	0.405	S	S	*	.			trans	-91.2	139.4	173.6	-66.1	-174.3	178.9	-175.5	-0	110.5	S348	R346-S348 PolarHBondContact O-N 2.94Å
347	F	73.3	Confident	82.6	Confident	52 Å²	52	83.6 Å²	83.6	23%	0.228	40%	0.401	C	S	.	.			trans	-68.9	114.4	173.7	-91.4	-73.8	0	0	0	111.2	I351 V451 D454 W455 I458	F347-I351 HydrophobicContact CD1-CG2 4.23Å; F347-I351 HydrophobicContact CE1-CG2 4.26Å; F347-V451 HydrophobicContact CD2-CG1 3.77Å; F347-V451 HydrophobicContact CE2-CG1 3.63Å; F347-D454 HydrophobicContact CE2-CB 4.24Å; F347-D454 HydrophobicContact CZ-CB 4.05Å; F347-W455 HydrophobicContact CD1-CH2 4.45Å; F347-W455 HydrophobicContact CD1-CZ2 4.2Å; F347-W455 HydrophobicContact CD2-CZ2 4.3Å; F347-W455 AromaticContact CD2-NE1 3.78Å; F347-W455 AromaticContact CE1-CD2 3.95Å; F347-W455 HydrophobicContact CE1-CD2 3.95Å; F347-W455 AromaticContact CE1-CE2 3.85Å; F347-W455 HydrophobicContact CE1-CE3 4.11Å; F347-W455 HydrophobicContact CE1-CH2 4.08Å; F347-W455 AromaticContact CE1-CZ2 3.93Å; F347-W455 HydrophobicContact CE1-CZ2 3.93Å; F347-W455 HydrophobicContact CE1-CZ3 4.18Å; F347-W455 AromaticContact CE2-CD1 3.36Å; F347-W455 AromaticContact CE2-CD2 3.84Å; F347-W455 HydrophobicContact CE2-CD2 3.84Å; F347-W455 AromaticContact CE2-CE2 3.44Å; F347-W455 VanDerWaalsContact CE2-CE2 3.44Å; F347-W455 AromaticContact CE2-CG 3.79Å; F347-W455 HydrophobicContact CE2-CG 3.79Å; F347-W455 HydrophobicContact CE2-CZ2 4.08Å; F347-W455 AromaticContact CE2-NE1 3.14Å; F347-W455 HydrophobicContact CG-CZ2 4.37Å; F347-W455 HydrophobicContact CZ-CB 4.34Å; F347-W455 AromaticContact CZ-CD1 3.62Å; F347-W455 AromaticContact CZ-CD2 3.33Å; F347-W455 HydrophobicContact CZ-CD2 3.33Å; F347-W455 AromaticContact CZ-CE2 3.34Å; F347-W455 AromaticContact CZ-CE3 3.89Å; F347-W455 HydrophobicContact CZ-CE3 3.89Å; F347-W455 AromaticContact CZ-CG 3.52Å; F347-W455 HydrophobicContact CZ-CG 3.52Å; F347-W455 HydrophobicContact CZ-CH2 4.38Å; F347-W455 AromaticContact CZ-CZ2 3.9Å; F347-W455 HydrophobicContact CZ-CZ2 3.9Å; F347-W455 HydrophobicContact CZ-CZ3 4.38Å; F347-W455 AromaticContact CZ-NE1 3.52Å; F347-I458 HydrophobicContact CD1-CD1 4.46Å; F347-I458 HydrophobicContact CE1-CD1 3.36Å; F347-I458 HydrophobicContact CZ-CD1 3.88Å
348	S	80.5	Confident	82.3	Confident	63 Å²	63	89.1 Å²	89.1	44%	0.441	43%	0.425	S	S	.	.			trans	-67.4	137.5	164.1	178	0	0	0	0	109.2	R346 W350 I351 R352	R346-S348 PolarHBondContact O-N 2.94Å; S348-W350 PolarHBondContact O-N 3.1Å; S348-W350 VanDerWaalsContact O-N 3.15Å; S348-I351 PolarHBondContact O-N 3.34Å; S348-R352 PolarHBondContact O-N 2.88Å
349	K	80.6	Confident	81.9	Confident	189 Å²	189	89.4 Å²	89.4	82%	0.822	43%	0.427	S	S	*	.	H	α-helix	trans	-54.7	-35.6	179.2	-67.5	-175.1	179.9	-179.7	0	111.7	R352 T353	K349-R352 PolarHBondContact O-N 2.78Å; K349-T353 PolarHBondContact O-N 3.38Å; K349-T353 PolarHBondContact O-OG1 2.77Å
350	W	85.3	Confident	81.5	Confident	170 Å²	170	83.2 Å²	83.2	64%	0.644	40%	0.403	S	S	*	.	H	α-helix	trans	-65	-43.4	177.6	179.7	81.8	0	0	0	113.1	S348 R352 T353 F354	S348-W350 PolarHBondContact O-N 3.1Å; S348-W350 VanDerWaalsContact O-N 3.15Å; W350-R352 VanDerWaalsContact C-N 3.27Å; W350-R352 PolarHBondContact O-N 3.24Å; W350-T353 PolarHBondContact O-N 2.95Å; W350-F354 HydrophobicContact CZ2-CG 4.37Å; W350-F354 WeakPolarHBondContact O-CB 2.91Å; W350-F354 PolarHBondContact O-N 2.92Å
351	I	82.6	Confident	81.1	Confident	39 Å²	39	88.8 Å²	88.8	20%	0.2	43%	0.428	C	S	.	.	H	α-helix	trans	-60	-42.7	177.9	-66.8	174.3	0	0	0	109.8	F347 S348 F355 I458	F347-I351 HydrophobicContact CD1-CG2 4.23Å; F347-I351 HydrophobicContact CE1-CG2 4.26Å; S348-I351 PolarHBondContact O-N 3.34Å; I351-F355 HydrophobicContact CB-CD2 4.5Å; I351-F355 HydrophobicContact CG2-CD2 3.8Å; I351-F355 HydrophobicContact CG2-CE2 4.39Å; I351-F355 WeakPolarHBondContact O-CB 3.31Å; I351-F355 PolarHBondContact O-N 2.78Å; I351-I458 HydrophobicContact CG2-CD1 4.18Å
352	R	80.7	Confident	81.1	Confident	137 Å²	137	88.4 Å²	88.4	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-60.6	-51.7	179	-164.7	-179.1	175.2	175.8	-1.4	111.2	S348 K349 W350 F354 L356	S348-R352 PolarHBondContact O-N 2.88Å; K349-R352 PolarHBondContact O-N 2.78Å; W350-R352 VanDerWaalsContact C-N 3.27Å; W350-R352 PolarHBondContact O-N 3.24Å; R352-F354 PolarHBondContact O-N 2.77Å; R352-L356 HydrophobicContact CG-CD1 3.6Å; R352-L356 HydrophobicContact CG-CG 4.36Å; R352-L356 WeakPolarHBondContact O-CA 3.44Å; R352-L356 WeakPolarHBondContact O-CB 3.12Å; R352-L356 PolarHBondContact O-N 3.38Å
353	T	80.5	Confident	81.1	Confident	82 Å²	82	87.1 Å²	87.1	50%	0.503	42%	0.421	S	S	.	.	I	π-helix	trans	-65.1	-41.1	-179.3	-52.8	0	0	0	0	112.3	K349 W350 D357 F358	K349-T353 PolarHBondContact O-N 3.38Å; K349-T353 PolarHBondContact O-OG1 2.77Å; W350-T353 PolarHBondContact O-N 2.95Å; T353-D357 WeakPolarHBondContact O-CB 3.36Å; T353-D357 PolarHBondContact O-N 3.47Å; T353-F358 PolarHBondContact O-N 3.43Å; T353-F358 VanDerWaalsContact O-N 3.16Å
354	F	85.5	Confident	81	Confident	68 Å²	68	90.4 Å²	90.4	30%	0.298	42%	0.422	S	S	.	.	I	π-helix	trans	-71.3	-51.6	-177.6	-174.7	-101.3	0	0	0	112.6	W350 R352 F358 L359	W350-F354 HydrophobicContact CZ2-CG 4.37Å; W350-F354 WeakPolarHBondContact O-CB 2.91Å; W350-F354 PolarHBondContact O-N 2.92Å; R352-F354 PolarHBondContact O-N 2.77Å; F354-F358 HydrophobicContact CD2-CD1 4.13Å; F354-F358 AromaticContact CE2-CD1 3.89Å; F354-F358 HydrophobicContact CE2-CD1 3.89Å; F354-F358 HydrophobicContact CE2-CE1 4.24Å; F354-F358 PolarHBondContact O-N 2.75Å; F354-L359 WeakPolarHBondContact O-CB 3.49Å; F354-L359 PolarHBondContact O-N 3.11Å
355	F	83.3	Confident	80.5	Confident	34 Å²	34	88.1 Å²	88.1	15%	0.149	41%	0.405	C	S	.	.	I	π-helix	trans	-85.8	-25.6	-174	-71.7	-75.3	0	0	0	114.7	I351 L359 P360 I458 L462	I351-F355 HydrophobicContact CB-CD2 4.5Å; I351-F355 HydrophobicContact CG2-CD2 3.8Å; I351-F355 HydrophobicContact CG2-CE2 4.39Å; I351-F355 WeakPolarHBondContact O-CB 3.31Å; I351-F355 PolarHBondContact O-N 2.78Å; F355-L359 HydrophobicContact CD1-CD2 3.77Å; F355-L359 HydrophobicContact CE1-CD2 3.97Å; F355-P360 WeakPolarHBondContact O-CD 3Å; F355-P360 WeakPolarHBondContact O-CG 3.45Å; F355-I458 HydrophobicContact CB-CB 4.38Å; F355-I458 HydrophobicContact CB-CD1 4.12Å; F355-I458 HydrophobicContact CB-CG1 3.79Å; F355-I458 HydrophobicContact CB-CG2 3.89Å; F355-I458 HydrophobicContact CD1-CG2 4.09Å; F355-I458 HydrophobicContact CD2-CG2 4.32Å; F355-I458 HydrophobicContact CG-CG2 3.85Å; F355-L462 HydrophobicContact CD1-CD2 4.2Å; F355-L462 HydrophobicContact CD1-CG 4.27Å; F355-L462 HydrophobicContact CE1-CD2 3.35Å; F355-L462 HydrophobicContact CE1-CG 3.86Å; F355-L462 HydrophobicContact CZ-CD2 3.94Å
356	L	77.6	Confident	79.8	Confident	7 Å²	7	93.5 Å²	93.5	4%	0.037	43%	0.43	C	S	.	.	I	π-helix	trans	-96.3	-30.4	179.3	-57	-177	0	0	0	113.5	R352 P360 D454 Y457 I458	R352-L356 HydrophobicContact CG-CD1 3.6Å; R352-L356 HydrophobicContact CG-CG 4.36Å; R352-L356 WeakPolarHBondContact O-CA 3.44Å; R352-L356 WeakPolarHBondContact O-CB 3.12Å; R352-L356 PolarHBondContact O-N 3.38Å; L356-P360 WeakPolarHBondContact O-CG 3.22Å; L356-D454 HydrophobicContact CD1-CB 4.45Å; L356-Y457 HydrophobicContact CD2-CD1 3.49Å; L356-Y457 VanDerWaalsContact CD2-CD1 3.49Å; L356-Y457 HydrophobicContact CD2-CE1 4.09Å; L356-I458 HydrophobicContact CD2-CD1 4.08Å; L356-I458 HydrophobicContact CD2-CG1 3.58Å; L356-I458 HydrophobicContact CG-CD1 4.35Å; L356-I458 HydrophobicContact CG-CG1 4.28Å
357	D	78.5	Confident	79.3	Confident	72 Å²	72	86.1 Å²	86.1	39%	0.385	40%	0.402	S	S	.	.	I	π-helix	trans	-108.6	-43.5	-173.6	-56.3	-43	0	0	0	113.4	T353 K361	T353-D357 WeakPolarHBondContact O-CB 3.36Å; T353-D357 PolarHBondContact O-N 3.47Å; D357-K361 WeakPolarHBondContact O-CD 3.39Å; D357-K361 VanDerWaalsContact O-CE 3.23Å; D357-K361 WeakPolarHBondContact O-CE 3.04Å; D357-K361 VanDerWaalsContact O-CG 3.25Å; D357-K361 WeakPolarHBondContact O-CG 3.37Å
358	F	81.9	Confident	78.8	Confident	120 Å²	120	88.4 Å²	88.4	53%	0.526	42%	0.423	S	S	.	.	I	π-helix	trans	-84.5	-57.7	-175.5	178.8	-99.9	0	0	0	112.7	T353 F354 K361 V362	T353-F358 PolarHBondContact O-N 3.43Å; T353-F358 VanDerWaalsContact O-N 3.16Å; F354-F358 HydrophobicContact CD2-CD1 4.13Å; F354-F358 AromaticContact CE2-CD1 3.89Å; F354-F358 HydrophobicContact CE2-CD1 3.89Å; F354-F358 HydrophobicContact CE2-CE1 4.24Å; F354-F358 PolarHBondContact O-N 2.75Å; F358-K361 WeakPolarHBondContact O-CB 3.49Å; F358-K361 PolarHBondContact O-N 3.05Å; F358-V362 HydrophobicContact CE1-CG2 4.15Å; F358-V362 HydrophobicContact CE2-CG2 4.48Å; F358-V362 HydrophobicContact CZ-CG2 4.11Å; F358-V362 PolarHBondContact O-N 2.84Å
359	L	82.9	Confident	77.5	Confident	11 Å²	11	91 Å²	91	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-64.6	-39	-172.2	-162.6	64.5	0	0	0	114.1	F354 F355 K361 V362 L363 V461 L465	F354-L359 WeakPolarHBondContact O-CB 3.49Å; F354-L359 PolarHBondContact O-N 3.11Å; F355-L359 HydrophobicContact CD1-CD2 3.77Å; F355-L359 HydrophobicContact CE1-CD2 3.97Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.78Å; L359-V362 PolarHBondContact O-N 3.3Å; L359-L363 HydrophobicContact CD1-CD1 4.43Å; L359-L363 HydrophobicContact CD2-CD1 4.47Å; L359-L363 HydrophobicContact CG-CD1 3.91Å; L359-L363 HydrophobicContact CG-CG 4.49Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.92Å; L359-V461 HydrophobicContact CB-CG1 3.95Å; L359-V461 HydrophobicContact CD2-CG1 3.49Å; L359-V461 VanDerWaalsContact CD2-CG1 3.49Å; L359-V461 HydrophobicContact CG-CG1 3.73Å; L359-L465 HydrophobicContact CD1-CD1 4.14Å; L359-L465 HydrophobicContact CD1-CD2 4.45Å; L359-L465 HydrophobicContact CD2-CB 4.45Å; L359-L465 HydrophobicContact CD2-CD2 4.03Å
360	P	80	Confident	76.1	Confident	4 Å²	4	85 Å²	85	3%	0.026	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-32.5	176.5	-25	38.1	0	0	0	113.2	F355 L356 L363 M364 M365 Y457 V461	F355-P360 WeakPolarHBondContact O-CD 3Å; F355-P360 WeakPolarHBondContact O-CG 3.45Å; L356-P360 WeakPolarHBondContact O-CG 3.22Å; P360-L363 CarbonylContact O-C 3.54Å; P360-L363 PolarHBondContact O-N 2.84Å; P360-M364 PolarHBondContact O-N 2.03Å; P360-M365 HydrophobicContact CB-CB 4.01Å; P360-M365 PolarHBondContact O-N 3.33Å; P360-Y457 HydrophobicContact CB-CE1 4.47Å; P360-Y457 HydrophobicContact CG-CE1 3.87Å; P360-V461 HydrophobicContact CG-CG1 4.22Å; P360-V461 HydrophobicContact CG-CG2 3.89Å
361	K	79.9	Confident	74.2	Confident	168 Å²	168	79.7 Å²	79.7	73%	0.73	41%	0.407	S	S	*	.	H	α-helix	trans	-65.4	-40.5	174.1	-69.6	177.6	-170.8	170.8	0	111.3	D357 F358 L359	D357-K361 WeakPolarHBondContact O-CD 3.39Å; D357-K361 VanDerWaalsContact O-CE 3.23Å; D357-K361 WeakPolarHBondContact O-CE 3.04Å; D357-K361 VanDerWaalsContact O-CG 3.25Å; D357-K361 WeakPolarHBondContact O-CG 3.37Å; F358-K361 WeakPolarHBondContact O-CB 3.49Å; F358-K361 PolarHBondContact O-N 3.05Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.78Å
362	V	83.2	Confident	72.5	Confident	93 Å²	93	85.4 Å²	85.4	56%	0.564	44%	0.438	S	S	*	.	H	α-helix	trans	-66.7	-40.8	175.2	177.4	0	0	0	0	111.2	F358 L359 M364	F358-V362 HydrophobicContact CE1-CG2 4.15Å; F358-V362 HydrophobicContact CE2-CG2 4.48Å; F358-V362 HydrophobicContact CZ-CG2 4.11Å; F358-V362 PolarHBondContact O-N 2.84Å; L359-V362 PolarHBondContact O-N 3.3Å; V362-M364 VanDerWaalsContact C-N 3.32Å; V362-M364 PolarHBondContact O-N 3.47Å
363	L	79.5	Confident	71	Confident	15 Å²	15	82.8 Å²	82.8	8%	0.079	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6.2	-177.7	-65.2	174	0	0	0	114.5	L359 P360 M365 V461 R464 L465	L359-L363 HydrophobicContact CD1-CD1 4.43Å; L359-L363 HydrophobicContact CD2-CD1 4.47Å; L359-L363 HydrophobicContact CG-CD1 3.91Å; L359-L363 HydrophobicContact CG-CG 4.49Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.92Å; P360-L363 CarbonylContact O-C 3.54Å; P360-L363 PolarHBondContact O-N 2.84Å; L363-M365 VanDerWaalsContact C-N 3.29Å; L363-M365 PolarHBondContact O-N 2.82Å; L363-V461 HydrophobicContact CD1-CG1 4.05Å; L363-R464 HydrophobicContact CD1-CB 4.35Å; L363-R464 HydrophobicContact CD1-CG 4.48Å; L363-R464 PolarHBondContact O-NE 2.9Å; L363-R464 PolarHBondContact O-NH2 3.39Å; L363-R464 VanDerWaalsContact O-NH2 3.11Å; L363-L465 HydrophobicContact CD1-CB 4.04Å
364	M	78.3	Confident	69.7	Low	167 Å²	167	82.6 Å²	82.6	82%	0.823	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	46.2	-175.8	-59.1	-176.1	-178.5	0	0	113.2	P360 V362	P360-M364 PolarHBondContact O-N 2.03Å; V362-M364 VanDerWaalsContact C-N 3.32Å; V362-M364 PolarHBondContact O-N 3.47Å
365	M	76	Confident	67.9	Low	46 Å²	46	85.3 Å²	85.3	23%	0.227	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-99.9	125.9	171	-81.3	177.5	140.1	0	0	109.7	P360 L363 V461 R464	P360-M365 HydrophobicContact CB-CB 4.01Å; P360-M365 PolarHBondContact O-N 3.33Å; L363-M365 VanDerWaalsContact C-N 3.29Å; L363-M365 PolarHBondContact O-N 2.82Å; M365-V461 HydrophobicContact SD-CG2 3.95Å; M365-R464 HydrophobicContact CE-CB 3.86Å; M365-R464 HydrophobicContact CE-CG 4.24Å; M365-R464 HydrophobicContact SD-CB 4.22Å; M365-R464 HydrophobicContact SD-CG 4.5Å
366	Q	68.6	Low	66.5	Low	189 Å²	189	86.9 Å²	86.9	88%	0.883	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-82	127.8	165.8	-70.2	-179.4	-1	0	0	108.5
367	R	66.2	Low	65.5	Low	82 Å²	82	89.8 Å²	89.8	31%	0.309	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-66.7	135.5	168.8	-167.9	175.4	-177.4	-168.1	-0.2	107.4	T369 D454 Y457	R367-T369 PolarHBondContact O-N 3.29Å; R367-D454 IonicContact CZ-OD1 2.65Å; R367-D454 IonicContact NH2-OD1 3.97Å; R367-D454 PolarHBondContact NH2-OD1 3.29Å; R367-D454 IonicContact NH2-OD2 2.73Å; R367-D454 PolarHBondContact NH2-OD2 3.47Å; R367-Y457 HydrophobicContact CG-CE1 4.42Å; R367-Y457 HydrophobicContact CG-CE2 4.41Å
368	P	62.3	Low	64.4	Low	101 Å²	101	93.4 Å²	93.4	66%	0.656	49%	0.492	S	S	*	.			trans	-58	107.5	167.4	-13.4	25.3	0	0	0	106.6	T370	P368-T370 PolarHBondContact O-N 3.27Å
369	T	53.8	Low	63.1	Low	116 Å²	116	96.6 Å²	96.6	71%	0.712	50%	0.501	S	S	*	.			trans	-66.2	113.7	-172.1	-33.5	0	0	0	0	107.9	R367 A371	R367-T369 PolarHBondContact O-N 3.29Å; T369-A371 HydrophobicContact CG2-CB 3.42Å; T369-A371 VanDerWaalsContact CG2-CB 3.42Å; T369-A371 PolarHBondContact O-N 3.22Å
370	T	51.8	Low	61.9	Low	64 Å²	64	103.6 Å²	103.6	39%	0.393	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-64	27.9	165.1	-28.7	0	0	0	0	111.9	P368 L372 I373	P368-T370 PolarHBondContact O-N 3.27Å; T370-L372 VanDerWaalsContact C-N 3.33Å; T370-L372 PolarHBondContact O-N 3.25Å; T370-I373 HydrophobicContact CG2-CB 4.34Å; T370-I373 HydrophobicContact CG2-CD1 4.34Å
371	A	45.5	Very low	61	Low	58 Å²	58	108.7 Å²	108.7	48%	0.479	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-78.6	-12.8	-174.5	0	0	0	0	0	113.4	T369	T369-A371 HydrophobicContact CG2-CB 3.42Å; T369-A371 VanDerWaalsContact CG2-CB 3.42Å; T369-A371 PolarHBondContact O-N 3.22Å
372	L	46	Very low	60.1	Low	160 Å²	160	103.1 Å²	103.1	84%	0.838	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-87.6	-12.5	174.7	-68.9	171.8	0	0	0	113.4	T370 S376	T370-L372 VanDerWaalsContact C-N 3.33Å; T370-L372 PolarHBondContact O-N 3.25Å; L372-S376 PolarHBondContact O-OG 2.92Å
373	I	50.5	Low	59.1	Low	82 Å²	82	102.6 Å²	102.6	42%	0.421	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-30.5	-176.9	-58.1	174.3	0	0	0	111.5	T370 D375 S376 D377	T370-I373 HydrophobicContact CG2-CB 4.34Å; T370-I373 HydrophobicContact CG2-CD1 4.34Å; I373-D375 PolarHBondContact O-N 2.96Å; I373-S376 PolarHBondContact O-N 3.41Å; I373-S376 PolarHBondContact O-OG 2.85Å; I373-S376 VanDerWaalsContact O-OG 3.08Å; I373-D377 HydrophobicContact CG2-CB 4.11Å; I373-D377 WeakPolarHBondContact O-CB 3.31Å; I373-D377 PolarHBondContact O-N 2.85Å
374	T	52.3	Low	58.2	Low	77 Å²	77	103.1 Å²	103.1	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-68.7	-27.6	-173.5	43.9	0	0	0	0	115.7	K378	T374-K378 WeakPolarHBondContact O-CB 3.32Å; T374-K378 WeakPolarHBondContact O-CD 3.2Å; T374-K378 WeakPolarHBondContact O-CG 3.39Å; T374-K378 PolarHBondContact O-N 3Å
375	D	48.7	Very low	57.6	Low	125 Å²	125	101.3 Å²	101.3	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-85.8	-36.1	177.2	-99.6	-1.3	0	0	0	112.5	I373 R379	I373-D375 PolarHBondContact O-N 2.96Å; D375-R379 PolarHBondContact O-N 3.18Å
376	S	53.5	Low	57	Low	68 Å²	68	104.7 Å²	104.7	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-69.7	-40.1	174.6	48.5	0	0	0	0	111.4	L372 I373 R379 Y380	L372-S376 PolarHBondContact O-OG 2.92Å; I373-S376 PolarHBondContact O-N 3.41Å; I373-S376 PolarHBondContact O-OG 2.85Å; I373-S376 VanDerWaalsContact O-OG 3.08Å; S376-R379 PolarHBondContact O-N 3.22Å; S376-Y380 WeakPolarHBondContact O-CB 3.27Å; S376-Y380 PolarHBondContact O-N 3.43Å
377	D	56.1	Low	56.8	Low	67 Å²	67	99.9 Å²	99.9	36%	0.358	52%	0.524	S	S	.	.	H	α-helix	trans	-76.4	-30.1	-177.3	-157.7	42.9	0	0	0	112.9	I373 K381	I373-D377 HydrophobicContact CG2-CB 4.11Å; I373-D377 WeakPolarHBondContact O-CB 3.31Å; I373-D377 PolarHBondContact O-N 2.85Å; D377-K381 WeakPolarHBondContact O-CB 3.42Å; D377-K381 WeakPolarHBondContact O-CG 3.25Å; D377-K381 PolarHBondContact O-N 2.83Å
378	K	55.7	Low	56.7	Low	148 Å²	148	100.8 Å²	100.8	64%	0.643	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-42.4	169.7	-81.1	177.3	-175.2	178.2	0	112.1	T374 A382	T374-K378 WeakPolarHBondContact O-CB 3.32Å; T374-K378 WeakPolarHBondContact O-CD 3.2Å; T374-K378 WeakPolarHBondContact O-CG 3.39Å; T374-K378 PolarHBondContact O-N 3Å; K378-A382 PolarHBondContact O-N 3.49Å; K378-A382 VanDerWaalsContact O-N 3.15Å
379	R	54.9	Low	56.8	Low	187 Å²	187	102.3 Å²	102.3	71%	0.706	53%	0.53	S	S	*	.	H	α-helix	trans	-68	-42.5	178.4	-162.4	167.5	-178.9	173.6	-0.5	111	D375 S376 K381 A382 D383	D375-R379 PolarHBondContact O-N 3.18Å; S376-R379 PolarHBondContact O-N 3.22Å; R379-K381 PolarHBondContact O-N 2.93Å; R379-A382 PolarHBondContact O-N 2.9Å; R379-D383 VanDerWaalsContact O-CG 3.28Å; R379-D383 PolarHBondContact O-N 2.79Å
380	Y	57.7	Low	57.3	Low	159 Å²	159	101.4 Å²	101.4	62%	0.624	52%	0.52	S	S	*	.	H	α-helix	trans	-67.8	-33.5	177.1	-155.1	-95.5	0	0	0	113.4	S376 A384	S376-Y380 WeakPolarHBondContact O-CB 3.27Å; S376-Y380 PolarHBondContact O-N 3.43Å; Y380-A384 VanDerWaalsContact O-CB 3.24Å; Y380-A384 WeakPolarHBondContact O-CB 3.45Å; Y380-A384 PolarHBondContact O-N 3.43Å
381	K	61	Low	57.8	Low	110 Å²	110	101.2 Å²	101.2	48%	0.478	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-44.5	171.1	-86.7	-179.1	178.1	172	0	112.4	D377 R379 A384 E385	D377-K381 WeakPolarHBondContact O-CB 3.42Å; D377-K381 WeakPolarHBondContact O-CG 3.25Å; D377-K381 PolarHBondContact O-N 2.83Å; R379-K381 PolarHBondContact O-N 2.93Å; K381-A384 PolarHBondContact O-N 2.88Å; K381-E385 WeakPolarHBondContact O-CG 3.48Å; K381-E385 PolarHBondContact O-N 3.09Å
382	A	60.2	Low	58.6	Low	52 Å²	52	103.6 Å²	103.6	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-45.6	177.1	0	0	0	0	0	111.7	K378 R379 A384 E385 Q386	K378-A382 PolarHBondContact O-N 3.49Å; K378-A382 VanDerWaalsContact O-N 3.15Å; R379-A382 PolarHBondContact O-N 2.9Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.35Å; A382-E385 PolarHBondContact O-N 2.8Å; A382-Q386 WeakPolarHBondContact O-CB 3.03Å; A382-Q386 PolarHBondContact O-N 2.79Å; A382-Q386 VanDerWaalsContact O-N 3.09Å
383	D	61.6	Low	59.5	Low	81 Å²	81	100.3 Å²	100.3	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-36.9	178.7	-65.8	-19.6	0	0	0	111.8	R379 T387	R379-D383 VanDerWaalsContact O-CG 3.28Å; R379-D383 PolarHBondContact O-N 2.79Å; D383-T387 PolarHBondContact O-N 2.9Å; D383-T387 PolarHBondContact O-OG1 2.9Å
384	A	62.4	Low	60.1	Low	26 Å²	26	101.8 Å²	101.8	22%	0.215	51%	0.513	C	S	.	.	H	α-helix	trans	-71.7	-41.9	178.5	0	0	0	0	0	113.3	Y380 K381 A382 Q386 T387 E388	Y380-A384 VanDerWaalsContact O-CB 3.24Å; Y380-A384 WeakPolarHBondContact O-CB 3.45Å; Y380-A384 PolarHBondContact O-N 3.43Å; K381-A384 PolarHBondContact O-N 2.88Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.35Å; A384-Q386 VanDerWaalsContact C-N 3.27Å; A384-Q386 PolarHBondContact O-N 2.87Å; A384-T387 PolarHBondContact O-N 3.01Å; A384-E388 PolarHBondContact O-N 3.06Å
385	E	64.8	Low	60.3	Low	130 Å²	130	103.4 Å²	103.4	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-60.4	-41.2	173.9	-76.5	173.5	-178.7	0	0	110.6	K381 A382 T387 E388 E389	K381-E385 WeakPolarHBondContact O-CG 3.48Å; K381-E385 PolarHBondContact O-N 3.09Å; A382-E385 PolarHBondContact O-N 2.8Å; E385-T387 PolarHBondContact O-N 3.37Å; E385-E388 PolarHBondContact O-N 2.85Å; E385-E389 PolarHBondContact O-N 3.19Å
386	Q	63.2	Low	60.8	Low	116 Å²	116	100.8 Å²	100.8	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-37.8	176.4	-153.9	170.2	33.3	0	0	112.2	A382 A384 I390	A382-Q386 WeakPolarHBondContact O-CB 3.03Å; A382-Q386 PolarHBondContact O-N 2.79Å; A382-Q386 VanDerWaalsContact O-N 3.09Å; A384-Q386 VanDerWaalsContact C-N 3.27Å; A384-Q386 PolarHBondContact O-N 2.87Å; Q386-I390 WeakPolarHBondContact O-CD1 3.31Å; Q386-I390 WeakPolarHBondContact O-CG1 3.44Å; Q386-I390 PolarHBondContact O-N 2.73Å
387	T	64.9	Low	60.7	Low	89 Å²	89	101.5 Å²	101.5	55%	0.546	51%	0.512	S	S	.	.	H	α-helix	trans	-69.6	-36.9	176.6	-48.5	0	0	0	0	111.8	D383 A384 E385 I390 M391	D383-T387 PolarHBondContact O-N 2.9Å; D383-T387 PolarHBondContact O-OG1 2.9Å; A384-T387 PolarHBondContact O-N 3.01Å; E385-T387 PolarHBondContact O-N 3.37Å; T387-I390 PolarHBondContact O-N 2.65Å; T387-M391 WeakPolarHBondContact O-CB 3.44Å; T387-M391 PolarHBondContact O-N 3.04Å
388	E	63.4	Low	60.3	Low	101 Å²	101	106.2 Å²	106.2	47%	0.472	53%	0.532	S	S	.	.	H	α-helix	trans	-67.8	-40.1	176.5	-138.5	176.7	-174.4	0	0	111.6	A384 E385 M391 M392	A384-E388 PolarHBondContact O-N 3.06Å; E385-E388 PolarHBondContact O-N 2.85Å; E388-M391 PolarHBondContact O-N 3.12Å; E388-M392 HydrophobicContact CG-CE 4.39Å; E388-M392 PolarHBondContact O-N 2.99Å
389	E	64.3	Low	59.7	Low	132 Å²	132	110.1 Å²	110.1	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-60.6	-47	171.2	-87.4	-170.4	153.3	0	0	112	E385 M391 M392 T393	E385-E389 PolarHBondContact O-N 3.19Å; E389-M391 VanDerWaalsContact C-N 3.3Å; E389-M391 PolarHBondContact O-N 3.21Å; E389-M392 PolarHBondContact O-N 3.01Å; E389-T393 WeakPolarHBondContact O-CB 3.06Å; E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 2.83Å
390	I	65.9	Low	59	Low	98 Å²	98	106.8 Å²	106.8	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-42.3	178.4	-69	163.3	0	0	0	110.2	Q386 T387 T393 L394	Q386-I390 WeakPolarHBondContact O-CD1 3.31Å; Q386-I390 WeakPolarHBondContact O-CG1 3.44Å; Q386-I390 PolarHBondContact O-N 2.73Å; T387-I390 PolarHBondContact O-N 2.65Å; I390-T393 PolarHBondContact O-N 2.99Å; I390-L394 HydrophobicContact CG2-CD1 3.81Å; I390-L394 WeakPolarHBondContact O-CG 3.46Å; I390-L394 PolarHBondContact O-N 3.01Å
391	M	62	Low	58	Low	59 Å²	59	102.4 Å²	102.4	29%	0.291	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-42.3	179.4	-178.7	151.2	171.6	0	0	113.1	T387 E388 E389 T393 L394 M395 V432	T387-M391 WeakPolarHBondContact O-CB 3.44Å; T387-M391 PolarHBondContact O-N 3.04Å; E388-M391 PolarHBondContact O-N 3.12Å; E389-M391 VanDerWaalsContact C-N 3.3Å; E389-M391 PolarHBondContact O-N 3.21Å; M391-T393 VanDerWaalsContact C-N 3.28Å; M391-T393 PolarHBondContact O-N 2.86Å; M391-L394 PolarHBondContact O-N 2.87Å; M391-M395 HydrophobicContact CE-CE 4.47Å; M391-M395 HydrophobicContact CE-SD 3.91Å; M391-M395 HydrophobicContact CG-CE 4.45Å; M391-M395 WeakPolarHBondContact O-CG 3.43Å; M391-M395 PolarHBondContact O-N 3.49Å; M391-V432 HydrophobicContact CE-CB 3.49Å; M391-V432 VanDerWaalsContact CE-CB 3.49Å; M391-V432 HydrophobicContact CE-CG1 3.22Å; M391-V432 HydrophobicContact CE-CG2 3.74Å; M391-V432 HydrophobicContact SD-CB 4.08Å; M391-V432 HydrophobicContact SD-CG1 3.26Å; M391-V432 WeakPolarHBondContact SD-CG1 3.44Å; M391-V432 HydrophobicContact SD-CG2 4.1Å
392	M	61.5	Low	56.9	Low	109 Å²	109	104.9 Å²	104.9	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-34.8	173.2	-82.9	-167.6	-94.7	0	0	112.3	E388 E389 S396	E388-M392 HydrophobicContact CG-CE 4.39Å; E388-M392 PolarHBondContact O-N 2.99Å; E389-M392 PolarHBondContact O-N 3.01Å; M392-S396 WeakPolarHBondContact O-CB 3.35Å; M392-S396 PolarHBondContact O-N 2.75Å; M392-S396 PolarHBondContact O-OG 2.64Å
393	T	64.2	Low	55.8	Low	90 Å²	90	108.1 Å²	108.1	55%	0.552	58%	0.579	S	S	*	*	H	α-helix	trans	-66.9	-42.3	174.9	-53.6	0	0	0	0	111.1	E389 I390 M391 S396 S397	E389-T393 WeakPolarHBondContact O-CB 3.06Å; E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 2.83Å; I390-T393 PolarHBondContact O-N 2.99Å; M391-T393 VanDerWaalsContact C-N 3.28Å; M391-T393 PolarHBondContact O-N 2.86Å; T393-S396 WeakPolarHBondContact CA-OG 3.39Å; T393-S396 PolarHBondContact O-N 3.14Å; T393-S396 PolarHBondContact O-OG 3.33Å; T393-S396 VanDerWaalsContact O-OG 3.08Å; T393-S397 WeakPolarHBondContact O-CB 3.25Å; T393-S397 PolarHBondContact O-N 3.01Å
394	L	63.5	Low	54.6	Low	114 Å²	114	110.6 Å²	110.6	60%	0.597	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-43.7	176.3	-75.5	161.3	0	0	0	111.8	I390 M391 S396 S397	I390-L394 HydrophobicContact CG2-CD1 3.81Å; I390-L394 WeakPolarHBondContact O-CG 3.46Å; I390-L394 PolarHBondContact O-N 3.01Å; M391-L394 PolarHBondContact O-N 2.87Å; L394-S396 VanDerWaalsContact C-N 3.32Å; L394-S396 PolarHBondContact O-N 3.21Å; L394-S397 PolarHBondContact O-N 3.11Å
395	M	56.8	Low	53.6	Low	111 Å²	111	117.7 Å²	117.7	55%	0.547	62%	0.621	S	S	.	*	H	α-helix	trans	-69.9	-25.4	178	-67.7	-165.4	-54.6	0	0	113.7	M391	M391-M395 HydrophobicContact CE-CE 4.47Å; M391-M395 HydrophobicContact CE-SD 3.91Å; M391-M395 HydrophobicContact CG-CE 4.45Å; M391-M395 WeakPolarHBondContact O-CG 3.43Å; M391-M395 PolarHBondContact O-N 3.49Å
396	S	58.9	Low	52.4	Low	70 Å²	70	117.4 Å²	117.4	49%	0.49	63%	0.628	S	S	.	*	H	α-helix	trans	-85.2	-28.2	175.8	51.5	0	0	0	0	113	M392 T393 L394 E398 R399	M392-S396 WeakPolarHBondContact O-CB 3.35Å; M392-S396 PolarHBondContact O-N 2.75Å; M392-S396 PolarHBondContact O-OG 2.64Å; T393-S396 WeakPolarHBondContact CA-OG 3.39Å; T393-S396 PolarHBondContact O-N 3.14Å; T393-S396 PolarHBondContact O-OG 3.33Å; T393-S396 VanDerWaalsContact O-OG 3.08Å; L394-S396 VanDerWaalsContact C-N 3.32Å; L394-S396 PolarHBondContact O-N 3.21Å; S396-E398 VanDerWaalsContact C-N 3.34Å; S396-E398 PolarHBondContact O-N 2.99Å; S396-R399 PolarHBondContact O-N 2.84Å
397	S	52.3	Low	51	Low	82 Å²	82	119.8 Å²	119.8	57%	0.573	64%	0.639	S	S	*	*	H	α-helix	trans	-67.2	-30	179.2	-167.7	0	0	0	0	113.3	T393 L394 R399	T393-S397 WeakPolarHBondContact O-CB 3.25Å; T393-S397 PolarHBondContact O-N 3.01Å; L394-S397 PolarHBondContact O-N 3.11Å; S397-R399 PolarHBondContact O-N 3.09Å; S397-R399 VanDerWaalsContact O-N 3.15Å
398	E	47.5	Very low	49.5	Very low	166 Å²	166	123.2 Å²	123.2	78%	0.776	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-9.5	175.3	-75.5	-173.2	155.8	0	0	114.1	S396	S396-E398 VanDerWaalsContact C-N 3.34Å; S396-E398 PolarHBondContact O-N 2.99Å
399	R	42.9	Very low	48.2	Very low	231 Å²	231	123.5 Å²	123.5	87%	0.872	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-3.5	-177.3	-116	177.8	-172.5	176.9	3.7	115.8	S396 S397	S396-R399 PolarHBondContact O-N 2.84Å; S397-R399 PolarHBondContact O-N 3.09Å; S397-R399 VanDerWaalsContact O-N 3.15Å
400	T	39.3	Very low	46.7	Very low	116 Å²	116	123.4 Å²	123.4	71%	0.712	67%	0.67	S	S	*	*			trans	-134.2	87.6	-178.2	48.4	0	0	0	0	111.6
401	G	36.9	Very low	45.1	Very low	68 Å²	68	123.7 Å²	123.7	70%	0.701	68%	0.681	S	S	*	*			trans	-88.6	133.6	170.8	0	0	0	0	0	113.2
402	L	37.7	Very low	43.7	Very low	162 Å²	162	126.2 Å²	126.2	85%	0.848	71%	0.705	S	S	*	*			trans	71.1	109.9	157.7	-85.4	84.6	0	0	0	119.5
403	T	37.4	Very low	42.4	Very low	119 Å²	119	128.1 Å²	128.1	73%	0.73	72%	0.722	S	S	*	*				174	126.9	87.1	41.4	0	0	0	0	113
404	D	37.6	Very low	40.9	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	74%	0.735	S	S	*	*			trans	53.2	113.1	142.1	-58.7	-22.5	0	0	0	123.9
405	H	40.9	Very low	39.8	Very low	175 Å²	175	127.9 Å²	127.9	81%	0.81	74%	0.739	S	S	*	*				167.3	145.5	90.2	-98.9	-58.2	0	0	0	114.1
406	V	40.1	Very low	38.9	Very low	125 Å²	125	131.3 Å²	131.3	76%	0.758	75%	0.753	S	S	*	*			trans	100.6	89.8	156.8	-161.2	0	0	0	0	119.1
407	E	33.1	Very low	38.1	Very low	165 Å²	165	136 Å²	136	77%	0.771	77%	0.767	S	S	*	*				14.7	141.6	124.8	-70.2	-177.6	151.7	0	0	118.7
408	Q	33.8	Very low	37.7	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	77%	0.77	S	S	*	*			cis	-162.3	139.2	21.2	-103.6	152.4	8.4	0	0	104.6
409	S	35.1	Very low	37.7	Very low	108 Å²	108	140 Å²	140	76%	0.755	78%	0.776	S	S	*	*				178.7	132	97.9	-59.1	0	0	0	0	111.4
410	T	33	Very low	38.2	Very low	129 Å²	129	134.1 Å²	134.1	79%	0.791	76%	0.756	S	S	*	*			trans	72.7	91.7	147.8	48.8	0	0	0	0	121.6
411	S	33.3	Very low	39	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	75%	0.753	S	S	*	*				70.5	95.4	120.9	62	0	0	0	0	121.5
412	S	31.2	Very low	40.3	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	76%	0.759	S	S	*	*				61.4	91.5	123.2	68.3	0	0	0	0	120.1
413	V	34.1	Very low	41.8	Very low	149 Å²	149	139 Å²	139	90%	0.903	75%	0.752	S	S	*	*			trans	-129.3	119.8	135.7	178.9	0	0	0	0	107.4	A415	V413-A415 PolarHBondContact O-N 3.16Å
414	S	33.4	Very low	43.5	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	74%	0.736	S	S	*	*			trans	-68	111	-174.5	-160.9	0	0	0	0	110.9	H416	S414-H416 PolarHBondContact O-N 2.72Å
415	A	39.8	Very low	45.1	Very low	83 Å²	83	133.6 Å²	133.6	69%	0.686	72%	0.72	S	S	*	*			trans	-86.3	99.9	170.4	0	0	0	0	0	109.1	V413 H417	V413-A415 PolarHBondContact O-N 3.16Å; A415-H417 VanDerWaalsContact C-N 3.34Å; A415-H417 PolarHBondContact O-N 3.28Å
416	H	38.4	Very low	46.8	Very low	183 Å²	183	131 Å²	131	85%	0.847	71%	0.71	S	S	*	*			trans	-58.7	98.7	159.3	-112.4	-86.3	0	0	0	107.6	S414 M418	S414-H416 PolarHBondContact O-N 2.72Å; H416-M418 VanDerWaalsContact C-N 3.3Å; H416-M418 PolarHBondContact O-N 2.9Å
417	H	42.9	Very low	48.8	Very low	168 Å²	168	127.7 Å²	127.7	78%	0.778	70%	0.696	S	S	*	*			trans	-68.1	94.2	165.3	-101.5	-88.3	0	0	0	107.7	A415 F419	A415-H417 VanDerWaalsContact C-N 3.34Å; A415-H417 PolarHBondContact O-N 3.28Å; H417-F419 PolarHBondContact O-N 2.98Å
418	M	43.6	Very low	51.2	Low	131 Å²	131	123.8 Å²	123.8	65%	0.645	68%	0.679	S	S	*	*			trans	-69.3	113.6	162.8	-162.2	163.3	169.1	0	0	105.5	H416 F420	H416-M418 VanDerWaalsContact C-N 3.3Å; H416-M418 PolarHBondContact O-N 2.9Å; M418-F420 WeakPolarHBondContact O-CD2 3.27Å; M418-F420 PolarHBondContact O-N 3.15Å
419	F	46.8	Very low	53.4	Low	202 Å²	202	118.5 Å²	118.5	89%	0.886	66%	0.663	S	S	*	*			trans	-59.8	95.4	167.6	-88.6	-96	0	0	0	106.3	H417 D421	H417-F419 PolarHBondContact O-N 2.98Å; F419-D421 PolarHBondContact O-N 3.15Å
420	F	52.9	Low	55.7	Low	106 Å²	106	116.6 Å²	116.6	47%	0.465	65%	0.647	S	S	.	*			trans	-60.1	122.6	165.2	-84	-89.7	0	0	0	106	M418 E424 I428	M418-F420 WeakPolarHBondContact O-CD2 3.27Å; M418-F420 PolarHBondContact O-N 3.15Å; F420-E424 HydrophobicContact CB-CB 4.28Å; F420-E424 HydrophobicContact CD1-CB 3.79Å; F420-E424 VanDerWaalsContact CD1-CD 3.44Å; F420-E424 HydrophobicContact CD1-CG 3.6Å; F420-E424 WeakPolarHBondContact CD1-OE2 3.49Å; F420-E424 HydrophobicContact CE1-CG 4.08Å; F420-I428 HydrophobicContact CD1-CD1 3.73Å; F420-I428 HydrophobicContact CE1-CD1 3.57Å; F420-I428 HydrophobicContact CZ-CD1 4.18Å
421	D	56.9	Low	58.3	Low	120 Å²	120	112.8 Å²	112.8	64%	0.642	63%	0.629	S	S	*	*			trans	-52.6	146.9	170.2	-107.2	-38.4	0	0	0	108.1	F419 E423 E424 S425	F419-D421 PolarHBondContact O-N 3.15Å; D421-E423 HydrophobicContact CB-CB 4.48Å; D421-E423 PolarHBondContact O-N 3.43Å; D421-E424 HydrophobicContact CB-CB 4.22Å; D421-E424 WeakPolarHBondContact O-CA 3.28Å; D421-E424 VanDerWaalsContact O-CB 3.31Å; D421-E424 WeakPolarHBondContact O-CB 3.37Å; D421-E424 PolarHBondContact O-N 2.93Å; D421-S425 PolarHBondContact O-N 2.93Å
422	E	63.5	Low	60.8	Low	180 Å²	180	110.1 Å²	110.1	84%	0.841	61%	0.608	S	S	*	*	H	α-helix	trans	-54.7	-29.1	178.6	-152.8	174.8	-173.2	0	0	110.9	M426	E422-M426 WeakPolarHBondContact O-CB 3.39Å; E422-M426 PolarHBondContact O-N 2.9Å; E422-M426 VanDerWaalsContact O-N 3.14Å
423	E	70.7	Confident	63.2	Low	150 Å²	150	110.2 Å²	110.2	70%	0.701	60%	0.599	S	S	*	*	H	α-helix	trans	-65.8	-36.8	171.1	-167.1	170.7	-169.4	0	0	113.4	D421 A427	D421-E423 HydrophobicContact CB-CB 4.48Å; D421-E423 PolarHBondContact O-N 3.43Å; E423-A427 WeakPolarHBondContact O-CB 3.46Å; E423-A427 PolarHBondContact O-N 3.45Å
424	E	71.7	Confident	65.8	Low	84 Å²	84	107.2 Å²	107.2	39%	0.393	58%	0.579	S	S	.	*	H	α-helix	trans	-79.5	-37.8	-177.1	-143.4	-179.6	-160.4	0	0	111.5	F420 D421 A427 I428	F420-E424 HydrophobicContact CB-CB 4.28Å; F420-E424 HydrophobicContact CD1-CB 3.79Å; F420-E424 VanDerWaalsContact CD1-CD 3.44Å; F420-E424 HydrophobicContact CD1-CG 3.6Å; F420-E424 WeakPolarHBondContact CD1-OE2 3.49Å; F420-E424 HydrophobicContact CE1-CG 4.08Å; D421-E424 HydrophobicContact CB-CB 4.22Å; D421-E424 WeakPolarHBondContact O-CA 3.28Å; D421-E424 VanDerWaalsContact O-CB 3.31Å; D421-E424 WeakPolarHBondContact O-CB 3.37Å; D421-E424 PolarHBondContact O-N 2.93Å; E424-A427 WeakPolarHBondContact O-CB 3.29Å; E424-A427 PolarHBondContact O-N 2.88Å; E424-I428 WeakPolarHBondContact O-CG1 3.5Å; E424-I428 PolarHBondContact O-N 2.8Å
425	S	71.4	Confident	68.4	Low	53 Å²	53	106 Å²	106	37%	0.371	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-42.3	169.4	-179.8	0	0	0	0	111.8	D421 A427 I428 A429	D421-S425 PolarHBondContact O-N 2.93Å; S425-A427 VanDerWaalsContact C-N 3.31Å; S425-A427 PolarHBondContact O-N 3.48Å; S425-I428 PolarHBondContact O-N 2.84Å; S425-A429 WeakPolarHBondContact O-CB 3.41Å; S425-A429 PolarHBondContact O-N 2.94Å
426	M	78	Confident	70.7	Confident	120 Å²	120	104 Å²	104	59%	0.591	55%	0.547	S	S	*	.	H	α-helix	trans	-62.7	-37.7	173.3	-176	174.4	62.8	0	0	112	E422 T430	E422-M426 WeakPolarHBondContact O-CB 3.39Å; E422-M426 PolarHBondContact O-N 2.9Å; E422-M426 VanDerWaalsContact O-N 3.14Å; M426-T430 WeakPolarHBondContact O-CB 3.38Å; M426-T430 PolarHBondContact O-N 3.27Å; M426-T430 PolarHBondContact O-OG1 3.13Å
427	A	82	Confident	73	Confident	56 Å²	56	102.1 Å²	102.1	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-42.5	175.2	0	0	0	0	0	112.3	E423 E424 S425 T430 A431	E423-A427 WeakPolarHBondContact O-CB 3.46Å; E423-A427 PolarHBondContact O-N 3.45Å; E424-A427 WeakPolarHBondContact O-CB 3.29Å; E424-A427 PolarHBondContact O-N 2.88Å; S425-A427 VanDerWaalsContact C-N 3.31Å; S425-A427 PolarHBondContact O-N 3.48Å; A427-T430 PolarHBondContact O-N 3.25Å; A427-A431 WeakPolarHBondContact O-CB 3.14Å; A427-A431 PolarHBondContact O-N 3.2Å
428	I	82	Confident	75.2	Confident	84 Å²	84	98.4 Å²	98.4	43%	0.431	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-46.9	175.6	-67.6	166.1	0	0	0	110.9	F420 E424 S425 T430 A431 V432	F420-I428 HydrophobicContact CD1-CD1 3.73Å; F420-I428 HydrophobicContact CE1-CD1 3.57Å; F420-I428 HydrophobicContact CZ-CD1 4.18Å; E424-I428 WeakPolarHBondContact O-CG1 3.5Å; E424-I428 PolarHBondContact O-N 2.8Å; S425-I428 PolarHBondContact O-N 2.84Å; I428-T430 VanDerWaalsContact C-N 3.27Å; I428-T430 PolarHBondContact O-N 3.37Å; I428-A431 PolarHBondContact O-N 2.83Å; I428-A431 VanDerWaalsContact O-N 3.11Å; I428-V432 WeakPolarHBondContact O-CG2 3.32Å; I428-V432 PolarHBondContact O-N 2.91Å
429	A	81	Confident	77.4	Confident	50 Å²	50	94.2 Å²	94.2	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-59	-40.8	177.4	0	0	0	0	0	111.6	S425 N433	S425-A429 WeakPolarHBondContact O-CB 3.41Å; S425-A429 PolarHBondContact O-N 2.94Å; A429-N433 WeakPolarHBondContact O-CB 3.47Å; A429-N433 PolarHBondContact O-N 3.16Å
430	T	83.1	Confident	79.3	Confident	67 Å²	67	88.5 Å²	88.5	41%	0.411	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.7	-56.3	0	0	0	0	111.7	M426 A427 I428 N433 N434	M426-T430 WeakPolarHBondContact O-CB 3.38Å; M426-T430 PolarHBondContact O-N 3.27Å; M426-T430 PolarHBondContact O-OG1 3.13Å; A427-T430 PolarHBondContact O-N 3.25Å; I428-T430 VanDerWaalsContact C-N 3.27Å; I428-T430 PolarHBondContact O-N 3.37Å; T430-N433 PolarHBondContact O-N 3.33Å; T430-N434 WeakPolarHBondContact O-CB 3.41Å; T430-N434 PolarHBondContact O-N 2.77Å; T430-N434 PolarHBondContact O-ND2 2.89Å
431	A	86.8	Confident	81	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-40.6	178.3	0	0	0	0	0	112.5	A427 I428 N434 T435	A427-A431 WeakPolarHBondContact O-CB 3.14Å; A427-A431 PolarHBondContact O-N 3.2Å; I428-A431 PolarHBondContact O-N 2.83Å; I428-A431 VanDerWaalsContact O-N 3.11Å; A431-N434 PolarHBondContact O-N 2.98Å; A431-T435 WeakPolarHBondContact O-CB 3.47Å; A431-T435 PolarHBondContact O-N 3.49Å; A431-T435 PolarHBondContact O-OG1 2.78Å
432	V	86.3	Confident	82.5	Confident	49 Å²	49	88.6 Å²	88.6	30%	0.297	48%	0.483	S	S	.	.	H	α-helix	trans	-71.2	-40.6	176	-176.7	0	0	0	0	111.5	M391 I428 N434 T435 C436	M391-V432 HydrophobicContact CE-CB 3.49Å; M391-V432 VanDerWaalsContact CE-CB 3.49Å; M391-V432 HydrophobicContact CE-CG1 3.22Å; M391-V432 HydrophobicContact CE-CG2 3.74Å; M391-V432 HydrophobicContact SD-CB 4.08Å; M391-V432 HydrophobicContact SD-CG1 3.26Å; M391-V432 WeakPolarHBondContact SD-CG1 3.44Å; M391-V432 HydrophobicContact SD-CG2 4.1Å; I428-V432 WeakPolarHBondContact O-CG2 3.32Å; I428-V432 PolarHBondContact O-N 2.91Å; V432-N434 VanDerWaalsContact C-N 3.28Å; V432-N434 PolarHBondContact O-N 3.49Å; V432-T435 PolarHBondContact O-N 3.13Å; V432-T435 VanDerWaalsContact O-N 3.12Å; V432-C436 WeakPolarHBondContact O-CB 3.25Å; V432-C436 PolarHBondContact O-N 3.34Å
433	N	82.7	Confident	83.7	Confident	114 Å²	114	84.9 Å²	84.9	61%	0.61	46%	0.461	S	S	*	.	H	α-helix	trans	-58.4	-42.4	173.4	-170.6	34	0	0	0	111.5	A429 T430 C436 F437	A429-N433 WeakPolarHBondContact O-CB 3.47Å; A429-N433 PolarHBondContact O-N 3.16Å; T430-N433 PolarHBondContact O-N 3.33Å; N433-C436 PolarHBondContact O-N 2.83Å; N433-F437 VanDerWaalsContact O-CB 3.31Å; N433-F437 WeakPolarHBondContact O-CB 3.22Å; N433-F437 PolarHBondContact O-N 3.21Å
434	N	87.9	Confident	84.4	Confident	87 Å²	87	84.3 Å²	84.3	47%	0.465	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-41.5	174.1	-71.2	-19	0	0	0	112.4	T430 A431 V432 F437 I438	T430-N434 WeakPolarHBondContact O-CB 3.41Å; T430-N434 PolarHBondContact O-N 2.77Å; T430-N434 PolarHBondContact O-ND2 2.89Å; A431-N434 PolarHBondContact O-N 2.98Å; V432-N434 VanDerWaalsContact C-N 3.28Å; V432-N434 PolarHBondContact O-N 3.49Å; N434-F437 WeakPolarHBondContact O-CB 3.37Å; N434-F437 PolarHBondContact O-N 3.13Å; N434-I438 WeakPolarHBondContact O-CD1 3.48Å; N434-I438 VanDerWaalsContact O-CG1 3.24Å; N434-I438 WeakPolarHBondContact O-CG1 3.33Å; N434-I438 PolarHBondContact O-N 2.81Å
435	T	87.4	Confident	85.2	Confident	89 Å²	89	85.2 Å²	85.2	55%	0.546	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-42.4	178.9	-54.1	0	0	0	0	111.4	A431 V432 F437 I438 A439	A431-T435 WeakPolarHBondContact O-CB 3.47Å; A431-T435 PolarHBondContact O-N 3.49Å; A431-T435 PolarHBondContact O-OG1 2.78Å; V432-T435 PolarHBondContact O-N 3.13Å; V432-T435 VanDerWaalsContact O-N 3.12Å; T435-F437 VanDerWaalsContact C-N 3.34Å; T435-I438 PolarHBondContact O-N 2.82Å; T435-A439 WeakPolarHBondContact O-CB 3.45Å; T435-A439 PolarHBondContact O-N 2.86Å
436	C	88.4	Confident	86	Confident	43 Å²	43	86.2 Å²	86.2	29%	0.291	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-41.3	173.7	-174.5	0	0	0	0	111.1	V432 N433 I438 A439 N440	V432-C436 WeakPolarHBondContact O-CB 3.25Å; V432-C436 PolarHBondContact O-N 3.34Å; N433-C436 PolarHBondContact O-N 2.83Å; C436-I438 PolarHBondContact O-N 2.72Å; C436-A439 PolarHBondContact O-N 2.9Å; C436-N440 VanDerWaalsContact O-CB 3.32Å; C436-N440 WeakPolarHBondContact O-CB 3.33Å; C436-N440 PolarHBondContact O-N 3.04Å; C436-N440 PolarHBondContact O-ND2 2.84Å; C436-N440 PolarHBondContact SG-ND2 2.73Å
437	F	87.3	Confident	86.3	Confident	142 Å²	142	82.9 Å²	82.9	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-59.5	-45.4	173.2	-179.2	-93.9	0	0	0	112.2	N433 N434 T435 N440 H441	N433-F437 VanDerWaalsContact O-CB 3.31Å; N433-F437 WeakPolarHBondContact O-CB 3.22Å; N433-F437 PolarHBondContact O-N 3.21Å; N434-F437 WeakPolarHBondContact O-CB 3.37Å; N434-F437 PolarHBondContact O-N 3.13Å; T435-F437 VanDerWaalsContact C-N 3.34Å; F437-N440 PolarHBondContact O-N 3.41Å; F437-H441 WeakPolarHBondContact O-CB 3.31Å; F437-H441 PolarHBondContact O-N 3.07Å
438	I	89.9	Confident	86.5	Confident	91 Å²	91	84.2 Å²	84.2	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176.2	-68.3	163.1	0	0	0	110.9	N434 T435 C436 N440 H441 F442	N434-I438 WeakPolarHBondContact O-CD1 3.48Å; N434-I438 VanDerWaalsContact O-CG1 3.24Å; N434-I438 WeakPolarHBondContact O-CG1 3.33Å; N434-I438 PolarHBondContact O-N 2.81Å; T435-I438 PolarHBondContact O-N 2.82Å; C436-I438 PolarHBondContact O-N 2.72Å; I438-N440 PolarHBondContact O-N 2.92Å; I438-H441 WeakPolarHBondContact O-CB 3.28Å; I438-H441 PolarHBondContact O-N 3.2Å; I438-F442 HydrophobicContact CG2-CD2 3.7Å; I438-F442 HydrophobicContact CG2-CE2 3.65Å; I438-F442 VanDerWaalsContact O-CD2 3.3Å; I438-F442 WeakPolarHBondContact O-CD2 3.2Å; I438-F442 PolarHBondContact O-N 2.8Å
439	A	88.2	Confident	86.7	Confident	43 Å²	43	83.4 Å²	83.4	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-61.4	-44.5	179	0	0	0	0	0	111.8	T435 C436 H441 F442 R443	T435-A439 WeakPolarHBondContact O-CB 3.45Å; T435-A439 PolarHBondContact O-N 2.86Å; C436-A439 PolarHBondContact O-N 2.9Å; A439-H441 VanDerWaalsContact C-N 3.34Å; A439-H441 PolarHBondContact O-N 3.09Å; A439-F442 PolarHBondContact O-N 3.16Å; A439-R443 WeakPolarHBondContact O-CB 3.32Å; A439-R443 WeakPolarHBondContact O-CG 3.39Å; A439-R443 PolarHBondContact O-N 3.26Å
440	N	87.8	Confident	86.9	Confident	82 Å²	82	85.1 Å²	85.1	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-37.3	175.6	-77.5	-28.7	0	0	0	112.2	C436 F437 I438 K444	C436-N440 VanDerWaalsContact O-CB 3.32Å; C436-N440 WeakPolarHBondContact O-CB 3.33Å; C436-N440 PolarHBondContact O-N 3.04Å; C436-N440 PolarHBondContact O-ND2 2.84Å; C436-N440 PolarHBondContact SG-ND2 2.73Å; F437-N440 PolarHBondContact O-N 3.41Å; I438-N440 PolarHBondContact O-N 2.92Å; N440-K444 VanDerWaalsContact O-CB 3.32Å; N440-K444 WeakPolarHBondContact O-CB 3.29Å; N440-K444 PolarHBondContact O-N 2.63Å
441	H	87.6	Confident	87	Confident	106 Å²	106	84.1 Å²	84.1	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-46.2	173.7	177.9	-86.1	0	0	0	112	F437 I438 A439 K444 K445	F437-H441 WeakPolarHBondContact O-CB 3.31Å; F437-H441 PolarHBondContact O-N 3.07Å; I438-H441 WeakPolarHBondContact O-CB 3.28Å; I438-H441 PolarHBondContact O-N 3.2Å; A439-H441 VanDerWaalsContact C-N 3.34Å; A439-H441 PolarHBondContact O-N 3.09Å; H441-K444 PolarHBondContact O-N 2.96Å; H441-K445 WeakPolarHBondContact O-CB 3.44Å; H441-K445 PolarHBondContact O-N 2.89Å
442	F	89.1	Confident	87	Confident	122 Å²	122	85.6 Å²	85.6	54%	0.535	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-43.8	176	-84	-73	0	0	0	112.5	I438 A439 K444 K445 T446	I438-F442 HydrophobicContact CG2-CD2 3.7Å; I438-F442 HydrophobicContact CG2-CE2 3.65Å; I438-F442 VanDerWaalsContact O-CD2 3.3Å; I438-F442 WeakPolarHBondContact O-CD2 3.2Å; I438-F442 PolarHBondContact O-N 2.8Å; A439-F442 PolarHBondContact O-N 3.16Å; F442-K444 VanDerWaalsContact C-N 3.34Å; F442-K444 PolarHBondContact O-N 2.87Å; F442-K445 PolarHBondContact O-N 2.89Å; F442-T446 PolarHBondContact O-N 2.93Å; F442-T446 PolarHBondContact O-OG1 3.4Å; F442-T446 VanDerWaalsContact O-OG1 3.05Å
443	R	87.9	Confident	87.1	Confident	102 Å²	102	87.3 Å²	87.3	39%	0.385	45%	0.445	S	S	.	.	H	α-helix	trans	-58.3	-45.5	175.5	-76.6	176.1	174.5	172.7	-2.6	111.9	A439 T446 A447	A439-R443 WeakPolarHBondContact O-CB 3.32Å; A439-R443 WeakPolarHBondContact O-CG 3.39Å; A439-R443 PolarHBondContact O-N 3.26Å; R443-T446 PolarHBondContact O-N 3.37Å; R443-A447 WeakPolarHBondContact O-CB 3.06Å; R443-A447 PolarHBondContact O-N 2.61Å
444	K	86.5	Confident	87.3	Confident	137 Å²	137	83.3 Å²	83.3	60%	0.596	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-44.5	176.5	-174	179.8	176.2	-174.2	0	111.4	N440 H441 F442 A447 E448	N440-K444 VanDerWaalsContact O-CB 3.32Å; N440-K444 WeakPolarHBondContact O-CB 3.29Å; N440-K444 PolarHBondContact O-N 2.63Å; H441-K444 PolarHBondContact O-N 2.96Å; F442-K444 VanDerWaalsContact C-N 3.34Å; F442-K444 PolarHBondContact O-N 2.87Å; K444-A447 PolarHBondContact O-N 3.06Å; K444-E448 WeakPolarHBondContact CE-OE1 3.39Å; K444-E448 WeakPolarHBondContact O-CG 3.27Å; K444-E448 PolarHBondContact O-N 3.5Å
445	K	87.5	Confident	87.3	Confident	104 Å²	104	79.4 Å²	79.4	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.3	-173.9	178.1	178.4	-179.6	0	112.3	H441 F442 A447 E448 D449	H441-K445 WeakPolarHBondContact O-CB 3.44Å; H441-K445 PolarHBondContact O-N 2.89Å; F442-K445 PolarHBondContact O-N 2.89Å; K445-A447 PolarHBondContact O-N 3.3Å; K445-E448 PolarHBondContact O-N 3.14Å; K445-D449 WeakPolarHBondContact O-CB 3.4Å; K445-D449 PolarHBondContact O-N 2.9Å
446	T	88.9	Confident	87.4	Confident	73 Å²	73	78.6 Å²	78.6	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.2	-57	0	0	0	0	111.4	F442 R443 E448 D449 E450	F442-T446 PolarHBondContact O-N 2.93Å; F442-T446 PolarHBondContact O-OG1 3.4Å; F442-T446 VanDerWaalsContact O-OG1 3.05Å; R443-T446 PolarHBondContact O-N 3.37Å; T446-E448 VanDerWaalsContact C-N 3.32Å; T446-E448 PolarHBondContact O-N 2.85Å; T446-D449 PolarHBondContact O-N 2.99Å; T446-E450 WeakPolarHBondContact O-CG 3.45Å; T446-E450 PolarHBondContact O-N 3Å
447	A	84.5	Confident	87.4	Confident	50 Å²	50	77.8 Å²	77.8	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-38.7	176.1	0	0	0	0	0	112.3	R443 K444 K445 V451	R443-A447 WeakPolarHBondContact O-CB 3.06Å; R443-A447 PolarHBondContact O-N 2.61Å; K444-A447 PolarHBondContact O-N 3.06Å; K445-A447 PolarHBondContact O-N 3.3Å; A447-V451 WeakPolarHBondContact O-CG2 3.33Å; A447-V451 PolarHBondContact O-N 2.98Å
448	E	86.1	Confident	87.5	Confident	84 Å²	84	71.1 Å²	71.1	39%	0.393	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-40.5	174.2	-73.8	175.4	-179	0	0	112.2	P342 K444 K445 T446 V451 K452	P342-E448 HydrophobicContact CG-CB 3.98Å; P342-E448 HydrophobicContact CG-CG 3.99Å; K444-E448 WeakPolarHBondContact CE-OE1 3.39Å; K444-E448 WeakPolarHBondContact O-CG 3.27Å; K444-E448 PolarHBondContact O-N 3.5Å; K445-E448 PolarHBondContact O-N 3.14Å; T446-E448 VanDerWaalsContact C-N 3.32Å; T446-E448 PolarHBondContact O-N 2.85Å; E448-V451 PolarHBondContact O-N 2.89Å; E448-K452 WeakPolarHBondContact O-CB 3.5Å; E448-K452 PolarHBondContact O-N 3.47Å
449	D	86.2	Confident	87.5	Confident	67 Å²	67	66.8 Å²	66.8	36%	0.358	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-37.3	177.1	-77.7	-30.2	0	0	0	112.3	K445 T446 K452 N453	K445-D449 WeakPolarHBondContact O-CB 3.4Å; K445-D449 PolarHBondContact O-N 2.9Å; T446-D449 PolarHBondContact O-N 2.99Å; D449-K452 WeakPolarHBondContact O-CB 3.22Å; D449-K452 PolarHBondContact O-N 3.41Å; D449-N453 WeakPolarHBondContact O-CB 3.08Å; D449-N453 VanDerWaalsContact O-CG 3.22Å; D449-N453 PolarHBondContact O-N 3.16Å; D449-N453 PolarHBondContact O-ND2 2.81Å
450	E	85.4	Confident	87.5	Confident	86 Å²	86	68 Å²	68	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-47.1	172.6	-76.1	-172.9	164.1	0	0	111.8	T446 K452 N453 D454	T446-E450 WeakPolarHBondContact O-CG 3.45Å; T446-E450 PolarHBondContact O-N 3Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.14Å; E450-N453 PolarHBondContact O-N 2.85Å; E450-D454 PolarHBondContact O-N 3.42Å
451	V	85.5	Confident	87.6	Confident	46 Å²	46	64 Å²	64	28%	0.279	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-38.2	177.8	176.5	0	0	0	0	110.9	P342 F347 A447 E448 D454 W455	P342-V451 HydrophobicContact CB-CB 4.19Å; P342-V451 HydrophobicContact CB-CG1 3.81Å; F347-V451 HydrophobicContact CD2-CG1 3.77Å; F347-V451 HydrophobicContact CE2-CG1 3.63Å; A447-V451 WeakPolarHBondContact O-CG2 3.33Å; A447-V451 PolarHBondContact O-N 2.98Å; E448-V451 PolarHBondContact O-N 2.89Å; V451-D454 PolarHBondContact O-N 2.66Å; V451-W455 VanDerWaalsContact O-CD1 3.3Å; V451-W455 PolarHBondContact O-N 2.98Å; V451-W455 VanDerWaalsContact O-N 3.11Å
452	K	86.4	Confident	87.7	Confident	80 Å²	80	59.4 Å²	59.4	35%	0.348	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-43.2	174.1	-176.1	-177.6	179.4	-177.6	0	111.8	E448 D449 E450 D454 W455 R456	E448-K452 WeakPolarHBondContact O-CB 3.5Å; E448-K452 PolarHBondContact O-N 3.47Å; D449-K452 WeakPolarHBondContact O-CB 3.22Å; D449-K452 PolarHBondContact O-N 3.41Å; E450-K452 VanDerWaalsContact C-N 3.29Å; E450-K452 PolarHBondContact O-N 3.14Å; K452-D454 VanDerWaalsContact C-N 3.33Å; K452-D454 PolarHBondContact O-N 2.74Å; K452-W455 PolarHBondContact O-N 3.33Å; K452-R456 WeakPolarHBondContact O-CG 3.44Å; K452-R456 PolarHBondContact O-N 3.43Å
453	N	87	Confident	87.8	Confident	86 Å²	86	53.8 Å²	53.8	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-36.5	177.3	-72.5	-25.7	0	0	0	112.1	D449 E450 R456 Y457	D449-N453 WeakPolarHBondContact O-CB 3.08Å; D449-N453 VanDerWaalsContact O-CG 3.22Å; D449-N453 PolarHBondContact O-N 3.16Å; D449-N453 PolarHBondContact O-ND2 2.81Å; E450-N453 PolarHBondContact O-N 2.85Å; N453-R456 PolarHBondContact O-N 3.08Å; N453-Y457 WeakPolarHBondContact O-CB 3.36Å; N453-Y457 PolarHBondContact O-N 2.82Å
454	D	87.3	Confident	87.9	Confident	30 Å²	30	53 Å²	53	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-43.2	173.2	-83.8	-6.3	0	0	0	111.6	F347 L356 R367 E450 V451 K452 R456 Y457 I458	F347-D454 HydrophobicContact CE2-CB 4.24Å; F347-D454 HydrophobicContact CZ-CB 4.05Å; L356-D454 HydrophobicContact CD1-CB 4.45Å; R367-D454 IonicContact CZ-OD1 2.65Å; R367-D454 IonicContact NH2-OD1 3.97Å; R367-D454 PolarHBondContact NH2-OD1 3.29Å; R367-D454 IonicContact NH2-OD2 2.73Å; R367-D454 PolarHBondContact NH2-OD2 3.47Å; E450-D454 PolarHBondContact O-N 3.42Å; V451-D454 PolarHBondContact O-N 2.66Å; K452-D454 VanDerWaalsContact C-N 3.33Å; K452-D454 PolarHBondContact O-N 2.74Å; D454-R456 PolarHBondContact O-N 3.49Å; D454-Y457 PolarHBondContact O-N 3Å; D454-I458 VanDerWaalsContact O-CG1 3.27Å; D454-I458 WeakPolarHBondContact O-CG1 3.38Å; D454-I458 PolarHBondContact O-N 3.39Å
455	W	88.4	Confident	88.2	Confident	5 Å²	5	48.9 Å²	48.9	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-43.9	174	-82.3	118.4	0	0	0	112.7	V337 R340 H345 F347 V451 K452 Y457 I458 A459	V337-W455 HydrophobicContact CG1-CE3 3.75Å; V337-W455 HydrophobicContact CG1-CZ3 4.03Å; R340-W455 HydrophobicContact CB-CD2 3.82Å; R340-W455 HydrophobicContact CB-CE3 4.3Å; R340-W455 HydrophobicContact CB-CG 4Å; R340-W455 HydrophobicContact CB-CZ2 4.45Å; H345-W455 HydrophobicContact CB-CZ2 4Å; F347-W455 HydrophobicContact CD1-CH2 4.45Å; F347-W455 HydrophobicContact CD1-CZ2 4.2Å; F347-W455 HydrophobicContact CD2-CZ2 4.3Å; F347-W455 AromaticContact CD2-NE1 3.78Å; F347-W455 AromaticContact CE1-CD2 3.95Å; F347-W455 HydrophobicContact CE1-CD2 3.95Å; F347-W455 AromaticContact CE1-CE2 3.85Å; F347-W455 HydrophobicContact CE1-CE3 4.11Å; F347-W455 HydrophobicContact CE1-CH2 4.08Å; F347-W455 AromaticContact CE1-CZ2 3.93Å; F347-W455 HydrophobicContact CE1-CZ2 3.93Å; F347-W455 HydrophobicContact CE1-CZ3 4.18Å; F347-W455 AromaticContact CE2-CD1 3.36Å; F347-W455 AromaticContact CE2-CD2 3.84Å; F347-W455 HydrophobicContact CE2-CD2 3.84Å; F347-W455 AromaticContact CE2-CE2 3.44Å; F347-W455 VanDerWaalsContact CE2-CE2 3.44Å; F347-W455 AromaticContact CE2-CG 3.79Å; F347-W455 HydrophobicContact CE2-CG 3.79Å; F347-W455 HydrophobicContact CE2-CZ2 4.08Å; F347-W455 AromaticContact CE2-NE1 3.14Å; F347-W455 HydrophobicContact CG-CZ2 4.37Å; F347-W455 HydrophobicContact CZ-CB 4.34Å; F347-W455 AromaticContact CZ-CD1 3.62Å; F347-W455 AromaticContact CZ-CD2 3.33Å; F347-W455 HydrophobicContact CZ-CD2 3.33Å; F347-W455 AromaticContact CZ-CE2 3.34Å; F347-W455 AromaticContact CZ-CE3 3.89Å; F347-W455 HydrophobicContact CZ-CE3 3.89Å; F347-W455 AromaticContact CZ-CG 3.52Å; F347-W455 HydrophobicContact CZ-CG 3.52Å; F347-W455 HydrophobicContact CZ-CH2 4.38Å; F347-W455 AromaticContact CZ-CZ2 3.9Å; F347-W455 HydrophobicContact CZ-CZ2 3.9Å; F347-W455 HydrophobicContact CZ-CZ3 4.38Å; F347-W455 AromaticContact CZ-NE1 3.52Å; V451-W455 VanDerWaalsContact O-CD1 3.3Å; V451-W455 PolarHBondContact O-N 2.98Å; V451-W455 VanDerWaalsContact O-N 3.11Å; K452-W455 PolarHBondContact O-N 3.33Å; W455-Y457 VanDerWaalsContact C-N 3.35Å; W455-I458 PolarHBondContact O-N 3.49Å; W455-A459 PolarHBondContact O-N 2.91Å
456	R	89.1	Confident	88.4	Confident	72 Å²	72	45.9 Å²	45.9	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-42.5	175.9	-71	175.5	157.8	179.9	-15.5	112.1	D277 K452 N453 D454 A459 N460	D277-R456 IonicContact OD1-NH2 3.93Å; K452-R456 WeakPolarHBondContact O-CG 3.44Å; K452-R456 PolarHBondContact O-N 3.43Å; N453-R456 PolarHBondContact O-N 3.08Å; D454-R456 PolarHBondContact O-N 3.49Å; R456-A459 WeakPolarHBondContact O-CB 3.21Å; R456-A459 PolarHBondContact O-N 3.48Å; R456-N460 PolarHBondContact O-N 2.93Å
457	Y	88.9	Confident	88.5	Confident	25 Å²	25	44.1 Å²	44.1	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-43.2	176.3	-174.6	-97	0	0	0	111.3	L356 P360 R367 N453 D454 W455 A459 N460 V461	L356-Y457 HydrophobicContact CD2-CD1 3.49Å; L356-Y457 VanDerWaalsContact CD2-CD1 3.49Å; L356-Y457 HydrophobicContact CD2-CE1 4.09Å; P360-Y457 HydrophobicContact CB-CE1 4.47Å; P360-Y457 HydrophobicContact CG-CE1 3.87Å; R367-Y457 HydrophobicContact CG-CE1 4.42Å; R367-Y457 HydrophobicContact CG-CE2 4.41Å; N453-Y457 WeakPolarHBondContact O-CB 3.36Å; N453-Y457 PolarHBondContact O-N 2.82Å; D454-Y457 PolarHBondContact O-N 3Å; W455-Y457 VanDerWaalsContact C-N 3.35Å; Y457-A459 VanDerWaalsContact C-N 3.32Å; Y457-A459 PolarHBondContact O-N 2.96Å; Y457-N460 PolarHBondContact O-N 3.09Å; Y457-N460 VanDerWaalsContact O-N 3.16Å; Y457-V461 HydrophobicContact CD1-CG2 3.86Å; Y457-V461 HydrophobicContact CE1-CG2 3.56Å; Y457-V461 VanDerWaalsContact O-CG2 3.27Å; Y457-V461 WeakPolarHBondContact O-CG2 3.34Å; Y457-V461 PolarHBondContact O-N 3.15Å
458	I	88.8	Confident	88.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175.3	-68.2	172.3	0	0	0	111.5	V337 F347 I351 F355 L356 D454 W455 N460 V461 L462	V337-I458 HydrophobicContact CG1-CG2 4.06Å; F347-I458 HydrophobicContact CD1-CD1 4.46Å; F347-I458 HydrophobicContact CE1-CD1 3.36Å; F347-I458 HydrophobicContact CZ-CD1 3.88Å; I351-I458 HydrophobicContact CG2-CD1 4.18Å; F355-I458 HydrophobicContact CB-CB 4.38Å; F355-I458 HydrophobicContact CB-CD1 4.12Å; F355-I458 HydrophobicContact CB-CG1 3.79Å; F355-I458 HydrophobicContact CB-CG2 3.89Å; F355-I458 HydrophobicContact CD1-CG2 4.09Å; F355-I458 HydrophobicContact CD2-CG2 4.32Å; F355-I458 HydrophobicContact CG-CG2 3.85Å; L356-I458 HydrophobicContact CD2-CD1 4.08Å; L356-I458 HydrophobicContact CD2-CG1 3.58Å; L356-I458 HydrophobicContact CG-CD1 4.35Å; L356-I458 HydrophobicContact CG-CG1 4.28Å; D454-I458 VanDerWaalsContact O-CG1 3.27Å; D454-I458 WeakPolarHBondContact O-CG1 3.38Å; D454-I458 PolarHBondContact O-N 3.39Å; W455-I458 PolarHBondContact O-N 3.49Å; I458-N460 VanDerWaalsContact C-N 3.33Å; I458-N460 PolarHBondContact O-N 3.12Å; I458-V461 PolarHBondContact O-N 3.4Å; I458-L462 HydrophobicContact CG2-CD1 4.15Å; I458-L462 HydrophobicContact CG2-CG 4.49Å; I458-L462 WeakPolarHBondContact O-CB 3.41Å; I458-L462 WeakPolarHBondContact O-CG 3.43Å; I458-L462 PolarHBondContact O-N 3.28Å
459	A	90	Very high	89	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-43	175	0	0	0	0	0	111.8	V337 H338 W455 R456 Y457 V461 L462 D463	V337-A459 HydrophobicContact CG1-CB 4.31Å; H338-A459 HydrophobicContact CB-CB 3.71Å; W455-A459 PolarHBondContact O-N 2.91Å; R456-A459 WeakPolarHBondContact O-CB 3.21Å; R456-A459 PolarHBondContact O-N 3.48Å; Y457-A459 VanDerWaalsContact C-N 3.32Å; Y457-A459 PolarHBondContact O-N 2.96Å; A459-V461 PolarHBondContact O-N 2.84Å; A459-L462 WeakPolarHBondContact O-CB 3.39Å; A459-L462 PolarHBondContact O-N 3.22Å; A459-D463 PolarHBondContact O-N 3.48Å
460	N	88.3	Confident	89.3	Confident	68 Å²	68	45.2 Å²	45.2	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-65.9	-36.7	176.1	-69	-19.9	0	0	0	112.9	R456 Y457 I458 D463 R464	R456-N460 PolarHBondContact O-N 2.93Å; Y457-N460 PolarHBondContact O-N 3.09Å; Y457-N460 VanDerWaalsContact O-N 3.16Å; I458-N460 VanDerWaalsContact C-N 3.33Å; I458-N460 PolarHBondContact O-N 3.12Å; N460-D463 PolarHBondContact O-N 3.08Å; N460-R464 PolarHBondContact O-N 2.85Å
461	V	90.1	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-41.8	175.2	175.8	0	0	0	0	110.3	L359 P360 L363 M365 Y457 I458 A459 R464 L465	L359-V461 HydrophobicContact CB-CG1 3.95Å; L359-V461 HydrophobicContact CD2-CG1 3.49Å; L359-V461 VanDerWaalsContact CD2-CG1 3.49Å; L359-V461 HydrophobicContact CG-CG1 3.73Å; P360-V461 HydrophobicContact CG-CG1 4.22Å; P360-V461 HydrophobicContact CG-CG2 3.89Å; L363-V461 HydrophobicContact CD1-CG1 4.05Å; M365-V461 HydrophobicContact SD-CG2 3.95Å; Y457-V461 HydrophobicContact CD1-CG2 3.86Å; Y457-V461 HydrophobicContact CE1-CG2 3.56Å; Y457-V461 VanDerWaalsContact O-CG2 3.27Å; Y457-V461 WeakPolarHBondContact O-CG2 3.34Å; Y457-V461 PolarHBondContact O-N 3.15Å; I458-V461 PolarHBondContact O-N 3.4Å; A459-V461 PolarHBondContact O-N 2.84Å; V461-R464 PolarHBondContact O-N 3.05Å; V461-L465 PolarHBondContact O-N 2.84Å
462	L	90.4	Very high	89.9	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-48.5	173.2	-78.1	169.4	0	0	0	111.4	F333 T334 V337 F355 I458 A459 R464 L465 F466	F333-L462 HydrophobicContact CE1-CD1 4Å; T334-L462 HydrophobicContact CG2-CB 3.9Å; V337-L462 HydrophobicContact CB-CD1 4.46Å; V337-L462 HydrophobicContact CG1-CD1 4.15Å; V337-L462 HydrophobicContact CG2-CD1 4.26Å; F355-L462 HydrophobicContact CD1-CD2 4.2Å; F355-L462 HydrophobicContact CD1-CG 4.27Å; F355-L462 HydrophobicContact CE1-CD2 3.35Å; F355-L462 HydrophobicContact CE1-CG 3.86Å; F355-L462 HydrophobicContact CZ-CD2 3.94Å; I458-L462 HydrophobicContact CG2-CD1 4.15Å; I458-L462 HydrophobicContact CG2-CG 4.49Å; I458-L462 WeakPolarHBondContact O-CB 3.41Å; I458-L462 WeakPolarHBondContact O-CG 3.43Å; I458-L462 PolarHBondContact O-N 3.28Å; A459-L462 WeakPolarHBondContact O-CB 3.39Å; A459-L462 PolarHBondContact O-N 3.22Å; L462-R464 VanDerWaalsContact C-N 3.29Å; L462-R464 PolarHBondContact O-N 2.97Å; L462-L465 WeakPolarHBondContact O-CB 3.38Å; L462-L465 PolarHBondContact O-N 3.02Å; L462-L465 VanDerWaalsContact O-N 3.16Å; L462-F466 HydrophobicContact CB-CD2 4.33Å; L462-F466 HydrophobicContact CB-CE2 4.19Å; L462-F466 HydrophobicContact CD2-CE2 3.95Å; L462-F466 WeakPolarHBondContact O-CD2 3.39Å; L462-F466 PolarHBondContact O-N 2.9Å
463	D	91.6	Very high	90.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-43.1	177.2	-78.5	-29.3	0	0	0	111.3	K281 T334 A459 N460 F466 L467	K281-D463 IonicContact NZ-OD1 3.53Å; K281-D463 IonicContact NZ-OD2 3.04Å; K281-D463 PolarHBondContact NZ-OD2 3.39Å; T334-D463 WeakPolarHBondContact CB-OD1 3.39Å; T334-D463 WeakPolarHBondContact CG2-OD1 3.48Å; T334-D463 PolarHBondContact OG1-OD1 2.85Å; A459-D463 PolarHBondContact O-N 3.48Å; N460-D463 PolarHBondContact O-N 3.08Å; D463-F466 PolarHBondContact O-N 3.04Å; D463-L467 VanDerWaalsContact O-CB 3.32Å; D463-L467 WeakPolarHBondContact O-CB 3.41Å; D463-L467 PolarHBondContact O-N 3.23Å
464	R	90	Very high	90.3	Very high	84 Å²	84	41 Å²	41	32%	0.317	20%	0.197	S	C	.	.	H	α-helix	trans	-69.2	-36.6	177.4	-170.1	164.1	-179.8	-178.9	-7.1	113	L363 M365 N460 V461 L462 W468	L363-R464 HydrophobicContact CD1-CB 4.35Å; L363-R464 HydrophobicContact CD1-CG 4.48Å; L363-R464 PolarHBondContact O-NE 2.9Å; L363-R464 PolarHBondContact O-NH2 3.39Å; L363-R464 VanDerWaalsContact O-NH2 3.11Å; M365-R464 HydrophobicContact CE-CB 3.86Å; M365-R464 HydrophobicContact CE-CG 4.24Å; M365-R464 HydrophobicContact SD-CB 4.22Å; M365-R464 HydrophobicContact SD-CG 4.5Å; N460-R464 PolarHBondContact O-N 2.85Å; V461-R464 PolarHBondContact O-N 3.05Å; L462-R464 VanDerWaalsContact C-N 3.29Å; L462-R464 PolarHBondContact O-N 2.97Å; R464-W468 PolarHBondContact O-N 2.86Å
465	L	91.2	Very high	90.4	Very high	51 Å²	51	44.5 Å²	44.5	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-52	172.1	178.4	65.6	0	0	0	110	L359 L363 V461 L462 L467 W468 T469	L359-L465 HydrophobicContact CD1-CD1 4.14Å; L359-L465 HydrophobicContact CD1-CD2 4.45Å; L359-L465 HydrophobicContact CD2-CB 4.45Å; L359-L465 HydrophobicContact CD2-CD2 4.03Å; L363-L465 HydrophobicContact CD1-CB 4.04Å; V461-L465 PolarHBondContact O-N 2.84Å; L462-L465 WeakPolarHBondContact O-CB 3.38Å; L462-L465 PolarHBondContact O-N 3.02Å; L462-L465 VanDerWaalsContact O-N 3.16Å; L465-L467 VanDerWaalsContact C-N 3.33Å; L465-L467 PolarHBondContact O-N 2.8Å; L465-W468 PolarHBondContact O-N 2.83Å; L465-T469 WeakPolarHBondContact O-CG2 3.22Å; L465-T469 PolarHBondContact O-N 3.41Å; L465-T469 PolarHBondContact O-OG1 2.8Å
466	F	91.5	Very high	90.5	Very high	42 Å²	42	47 Å²	47	18%	0.184	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-39.9	-178.6	-70.5	-58.9	0	0	0	111.7	F272 V330 T334 L462 D463 W468 T469 F470	F272-F466 HydrophobicContact CD1-CB 4.04Å; F272-F466 HydrophobicContact CE1-CB 3.86Å; F272-F466 HydrophobicContact CZ-CB 4.19Å; V330-F466 HydrophobicContact CG1-CB 4.08Å; V330-F466 HydrophobicContact CG1-CD1 3.79Å; V330-F466 HydrophobicContact CG1-CD2 3.19Å; V330-F466 HydrophobicContact CG1-CE1 3.97Å; V330-F466 HydrophobicContact CG1-CE2 3.41Å; V330-F466 VanDerWaalsContact CG1-CE2 3.41Å; V330-F466 HydrophobicContact CG1-CG 3.42Å; V330-F466 VanDerWaalsContact CG1-CG 3.42Å; V330-F466 HydrophobicContact CG1-CZ 3.79Å; V330-F466 HydrophobicContact CG2-CD1 4.39Å; V330-F466 HydrophobicContact CG2-CE1 4.17Å; V330-F466 HydrophobicContact CG2-CZ 4.37Å; T334-F466 HydrophobicContact CG2-CD2 4.1Å; T334-F466 HydrophobicContact CG2-CE2 4.15Å; L462-F466 HydrophobicContact CB-CD2 4.33Å; L462-F466 HydrophobicContact CB-CE2 4.19Å; L462-F466 HydrophobicContact CD2-CE2 3.95Å; L462-F466 WeakPolarHBondContact O-CD2 3.39Å; L462-F466 PolarHBondContact O-N 2.9Å; D463-F466 PolarHBondContact O-N 3.04Å; F466-W468 VanDerWaalsContact C-N 3.34Å; F466-W468 PolarHBondContact O-N 2.88Å; F466-T469 WeakPolarHBondContact CA-OG1 3.33Å; F466-T469 PolarHBondContact O-N 3Å; F466-T469 VanDerWaalsContact O-N 3.17Å; F466-T469 PolarHBondContact O-OG1 3Å; F466-F470 HydrophobicContact CB-CD2 4.1Å; F466-F470 HydrophobicContact CB-CE2 4.3Å; F466-F470 HydrophobicContact CD1-CE2 4.19Å; F466-F470 WeakPolarHBondContact O-CB 3.45Å; F466-F470 VanDerWaalsContact O-CD2 3.3Å; F466-F470 WeakPolarHBondContact O-CD2 3.39Å; F466-F470 PolarHBondContact O-N 2.88Å
467	L	91.8	Very high	90.6	Very high	35 Å²	35	44 Å²	44	18%	0.183	22%	0.224	C	C	.	.	H	α-helix	trans	-51.1	-51.3	172.8	-173.1	157.5	0	0	0	111.9	I269 F272 Y273 D463 L465 S471	I269-L467 HydrophobicContact CG2-CG 4.36Å; F272-L467 HydrophobicContact CB-CB 3.78Å; F272-L467 HydrophobicContact CB-CD1 4.29Å; F272-L467 HydrophobicContact CB-CG 4.28Å; Y273-L467 HydrophobicContact CD2-CD1 4.36Å; D463-L467 VanDerWaalsContact O-CB 3.32Å; D463-L467 WeakPolarHBondContact O-CB 3.41Å; D463-L467 PolarHBondContact O-N 3.23Å; L465-L467 VanDerWaalsContact C-N 3.33Å; L465-L467 PolarHBondContact O-N 2.8Å; L467-S471 WeakPolarHBondContact O-CB 3.4Å; L467-S471 PolarHBondContact O-N 2.87Å
468	W	90.5	Very high	90.5	Very high	135 Å²	135	43.8 Å²	43.8	51%	0.511	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-43.9	178.7	-78.7	108.4	0	0	0	112.4	R464 L465 F466 L472	R464-W468 PolarHBondContact O-N 2.86Å; L465-W468 PolarHBondContact O-N 2.83Å; F466-W468 VanDerWaalsContact C-N 3.34Å; F466-W468 PolarHBondContact O-N 2.88Å; W468-L472 WeakPolarHBondContact O-CB 2.92Å; W468-L472 WeakPolarHBondContact O-CG 3.37Å; W468-L472 PolarHBondContact O-N 2.79Å
469	T	91.2	Very high	90.4	Very high	62 Å²	62	46.8 Å²	46.8	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-50.4	179.4	60.4	0	0	0	0	112.1	L465 F466 S471 L472 T473	L465-T469 WeakPolarHBondContact O-CG2 3.22Å; L465-T469 PolarHBondContact O-N 3.41Å; L465-T469 PolarHBondContact O-OG1 2.8Å; F466-T469 WeakPolarHBondContact CA-OG1 3.33Å; F466-T469 PolarHBondContact O-N 3Å; F466-T469 VanDerWaalsContact O-N 3.17Å; F466-T469 PolarHBondContact O-OG1 3Å; T469-S471 PolarHBondContact O-N 3.45Å; T469-L472 PolarHBondContact O-N 3.38Å; T469-T473 WeakPolarHBondContact O-CB 3.29Å; T469-T473 PolarHBondContact O-N 2.84Å; T469-T473 PolarHBondContact O-OG1 3.11Å
470	F	91.9	Very high	90.3	Very high	28 Å²	28	52.2 Å²	52.2	12%	0.123	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-37.3	179.6	-81.8	-80.7	0	0	0	111.8	F272 L323 L326 V330 F466 T473 F474	F272-F470 HydrophobicContact CD2-CD2 4.37Å; F272-F470 HydrophobicContact CE2-CB 3.98Å; F272-F470 HydrophobicContact CE2-CD1 4.49Å; F272-F470 AromaticContact CE2-CD2 3.39Å; F272-F470 HydrophobicContact CE2-CD2 3.39Å; F272-F470 AromaticContact CE2-CE2 3.96Å; F272-F470 HydrophobicContact CE2-CE2 3.96Å; F272-F470 AromaticContact CE2-CG 3.71Å; F272-F470 HydrophobicContact CE2-CG 3.71Å; F272-F470 AromaticContact CZ-CD2 3.5Å; F272-F470 HydrophobicContact CZ-CD2 3.5Å; F272-F470 VanDerWaalsContact CZ-CD2 3.5Å; F272-F470 AromaticContact CZ-CE2 3.57Å; F272-F470 HydrophobicContact CZ-CE2 3.57Å; F272-F470 HydrophobicContact CZ-CG 4.21Å; F272-F470 HydrophobicContact CZ-CZ 4.33Å; L323-F470 HydrophobicContact CD2-CD1 4.25Å; L323-F470 HydrophobicContact CD2-CE1 4.18Å; L323-F470 WeakPolarHBondContact O-CE1 3.09Å; L326-F470 HydrophobicContact CB-CE1 4.27Å; L326-F470 HydrophobicContact CB-CZ 4.15Å; V330-F470 HydrophobicContact CG2-CE2 4.28Å; V330-F470 HydrophobicContact CG2-CZ 4.41Å; F466-F470 HydrophobicContact CB-CD2 4.1Å; F466-F470 HydrophobicContact CB-CE2 4.3Å; F466-F470 HydrophobicContact CD1-CE2 4.19Å; F466-F470 WeakPolarHBondContact O-CB 3.45Å; F466-F470 VanDerWaalsContact O-CD2 3.3Å; F466-F470 WeakPolarHBondContact O-CD2 3.39Å; F466-F470 PolarHBondContact O-N 2.88Å; F470-T473 PolarHBondContact O-N 3.36Å; F470-F474 WeakPolarHBondContact O-CB 3.46Å; F470-F474 PolarHBondContact O-N 3.41Å
471	S	91.1	Very high	90.2	Very high	24 Å²	24	50.2 Å²	50.2	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-44.1	174.8	-174.7	0	0	0	0	111.7	L467 T469 I475	L467-S471 WeakPolarHBondContact O-CB 3.4Å; L467-S471 PolarHBondContact O-N 2.87Å; T469-S471 PolarHBondContact O-N 3.45Å; S471-I475 WeakPolarHBondContact O-CB 3.43Å; S471-I475 WeakPolarHBondContact O-CD1 3.28Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.32Å
472	L	92.2	Very high	89.8	Confident	110 Å²	110	53.1 Å²	53.1	58%	0.576	28%	0.281	S	S	*	.	H	α-helix	trans	-67.1	-45.2	177.9	-74.3	172.3	0	0	0	111.6	W468 T469 F474 I475 S476	W468-L472 WeakPolarHBondContact O-CB 2.92Å; W468-L472 WeakPolarHBondContact O-CG 3.37Å; W468-L472 PolarHBondContact O-N 2.79Å; T469-L472 PolarHBondContact O-N 3.38Å; L472-F474 VanDerWaalsContact C-N 3.31Å; L472-F474 PolarHBondContact O-N 3.14Å; L472-I475 PolarHBondContact O-N 2.83Å; L472-S476 WeakPolarHBondContact O-CB 3.47Å; L472-S476 PolarHBondContact O-N 2.96Å; L472-S476 PolarHBondContact O-OG 2.89Å
473	T	91.7	Very high	89.3	Confident	59 Å²	59	58.1 Å²	58.1	36%	0.362	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-39.1	176.9	-58.2	0	0	0	0	111.8	F319 L323 T469 F470 S476 G477	F319-T473 HydrophobicContact CE2-CG2 4.44Å; F319-T473 HydrophobicContact CZ-CG2 4.12Å; L323-T473 HydrophobicContact CD1-CG2 4.29Å; L323-T473 HydrophobicContact CD2-CG2 3.85Å; T469-T473 WeakPolarHBondContact O-CB 3.29Å; T469-T473 PolarHBondContact O-N 2.84Å; T469-T473 PolarHBondContact O-OG1 3.11Å; F470-T473 PolarHBondContact O-N 3.36Å; T473-S476 PolarHBondContact O-OG 3.15Å; T473-G477 PolarHBondContact O-N 3.15Å
474	F	90.1	Very high	88.9	Confident	17 Å²	17	62.9 Å²	62.9	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-68.4	-47.2	178.2	179.2	-103.7	0	0	0	112.2	I269 Y316 T320 F470 L472 T478	I269-F474 HydrophobicContact CD1-CB 4.21Å; I269-F474 HydrophobicContact CD1-CD1 3.74Å; I269-F474 HydrophobicContact CD1-CG 4.19Å; Y316-F474 HydrophobicContact CE2-CE2 4.48Å; Y316-F474 WeakPolarHBondContact OH-CZ 3.44Å; T320-F474 HydrophobicContact CG2-CE2 4.14Å; F470-F474 WeakPolarHBondContact O-CB 3.46Å; F470-F474 PolarHBondContact O-N 3.41Å; L472-F474 VanDerWaalsContact C-N 3.31Å; L472-F474 PolarHBondContact O-N 3.14Å; F474-T478 WeakPolarHBondContact CE2-OG1 3.45Å; F474-T478 WeakPolarHBondContact CZ-OG1 3.41Å; F474-T478 VanDerWaalsContact O-CB 3.28Å; F474-T478 WeakPolarHBondContact O-CB 3.44Å; F474-T478 PolarHBondContact O-N 3.04Å; F474-T478 PolarHBondContact O-OG1 2.9Å
475	I	89.8	Confident	88.2	Confident	102 Å²	102	59 Å²	59	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-45.6	179.3	-67.6	166.1	0	0	0	110.3	S471 L472 C479	S471-I475 WeakPolarHBondContact O-CB 3.43Å; S471-I475 WeakPolarHBondContact O-CD1 3.28Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.32Å; L472-I475 PolarHBondContact O-N 2.83Å; I475-C479 WeakPolarHBondContact O-CB 3.2Å; I475-C479 PolarHBondContact O-N 2.83Å
476	S	91.3	Very high	87.2	Confident	59 Å²	59	60 Å²	60	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-44.2	179.2	67.8	0	0	0	0	111.8	L472 T473 C479 L480	L472-S476 WeakPolarHBondContact O-CB 3.47Å; L472-S476 PolarHBondContact O-N 2.96Å; L472-S476 PolarHBondContact O-OG 2.89Å; T473-S476 PolarHBondContact O-OG 3.15Å; S476-C479 PolarHBondContact O-N 2.93Å; S476-L480 WeakPolarHBondContact O-CB 3.5Å; S476-L480 VanDerWaalsContact O-CG 3.24Å; S476-L480 WeakPolarHBondContact O-CG 3.46Å; S476-L480 PolarHBondContact O-N 3.49Å
477	G	90.3	Very high	86	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-45	176.4	0	0	0	0	0	112.5	T473 L480 I481	T473-G477 PolarHBondContact O-N 3.15Å; G477-L480 PolarHBondContact O-N 3.28Å; G477-I481 WeakPolarHBondContact O-CB 3.41Å; G477-I481 VanDerWaalsContact O-CG1 3.25Å; G477-I481 WeakPolarHBondContact O-CG1 3.35Å; G477-I481 PolarHBondContact O-N 2.9Å
478	T	87.4	Confident	84.8	Confident	21 Å²	21	61.9 Å²	61.9	13%	0.129	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-45.5	176.8	-56	0	0	0	0	111	Y316 F474 I481 V482	Y316-T478 HydrophobicContact CE2-CG2 4.15Å; F474-T478 WeakPolarHBondContact CE2-OG1 3.45Å; F474-T478 WeakPolarHBondContact CZ-OG1 3.41Å; F474-T478 VanDerWaalsContact O-CB 3.28Å; F474-T478 WeakPolarHBondContact O-CB 3.44Å; F474-T478 PolarHBondContact O-N 3.04Å; F474-T478 PolarHBondContact O-OG1 2.9Å; T478-I481 PolarHBondContact O-N 2.84Å; T478-V482 HydrophobicContact CG2-CG2 4.23Å; T478-V482 WeakPolarHBondContact O-CB 3.26Å; T478-V482 VanDerWaalsContact O-CG2 3.25Å; T478-V482 WeakPolarHBondContact O-CG2 3.29Å; T478-V482 PolarHBondContact O-N 3.18Å
479	C	86.7	Confident	83.5	Confident	64 Å²	64	62.3 Å²	62.3	43%	0.432	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-46.3	178.8	-167.6	0	0	0	0	111.7	I475 S476 I481 V482 L483	I475-C479 WeakPolarHBondContact O-CB 3.2Å; I475-C479 PolarHBondContact O-N 2.83Å; S476-C479 PolarHBondContact O-N 2.93Å; C479-I481 VanDerWaalsContact C-N 3.35Å; C479-I481 PolarHBondContact O-N 2.89Å; C479-V482 PolarHBondContact O-N 3.27Å; C479-L483 VanDerWaalsContact O-CB 3.24Å; C479-L483 WeakPolarHBondContact O-CB 3.47Å; C479-L483 WeakPolarHBondContact O-CG 3.12Å; C479-L483 PolarHBondContact O-N 3.13Å; C479-L483 WeakPolarHBondContact SG-CD1 3.4Å
480	L	88.1	Confident	82.5	Confident	115 Å²	115	61.6 Å²	61.6	60%	0.602	34%	0.34	S	S	*	.	H	α-helix	trans	-61.2	-41.2	178.6	-75.2	170.9	0	0	0	112.6	S476 G477 Q484	S476-L480 WeakPolarHBondContact O-CB 3.5Å; S476-L480 VanDerWaalsContact O-CG 3.24Å; S476-L480 WeakPolarHBondContact O-CG 3.46Å; S476-L480 PolarHBondContact O-N 3.49Å; G477-L480 PolarHBondContact O-N 3.28Å; L480-Q484 VanDerWaalsContact O-CG 3.23Å; L480-Q484 WeakPolarHBondContact O-CG 3.22Å; L480-Q484 PolarHBondContact O-N 3.08Å
481	I	86.1	Confident	81.6	Confident	25 Å²	25	66 Å²	66	13%	0.128	37%	0.374	C	S	.	.	H	α-helix	trans	-73.6	-45.1	-178.8	-66.5	169.9	0	0	0	110.6	L312 Y316 F319 G477 T478 C479 Q484	L312-I481 HydrophobicContact CD1-CG2 3.62Å; L312-I481 HydrophobicContact CD2-CG2 4.43Å; L312-I481 HydrophobicContact CG-CG2 3.76Å; Y316-I481 HydrophobicContact CD2-CD1 4.06Å; F319-I481 HydrophobicContact CB-CD1 4.48Å; F319-I481 HydrophobicContact CD1-CD1 4.39Å; G477-I481 WeakPolarHBondContact O-CB 3.41Å; G477-I481 VanDerWaalsContact O-CG1 3.25Å; G477-I481 WeakPolarHBondContact O-CG1 3.35Å; G477-I481 PolarHBondContact O-N 2.9Å; T478-I481 PolarHBondContact O-N 2.84Å; C479-I481 VanDerWaalsContact C-N 3.35Å; C479-I481 PolarHBondContact O-N 2.89Å; I481-Q484 PolarHBondContact O-N 3.18Å
482	V	80.1	Confident	81.2	Confident	62 Å²	62	70.9 Å²	70.9	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-41.3	-178.5	173.7	0	0	0	0	111.5	T478 C479 Q484 A485 I488	T478-V482 HydrophobicContact CG2-CG2 4.23Å; T478-V482 WeakPolarHBondContact O-CB 3.26Å; T478-V482 VanDerWaalsContact O-CG2 3.25Å; T478-V482 WeakPolarHBondContact O-CG2 3.29Å; T478-V482 PolarHBondContact O-N 3.18Å; C479-V482 PolarHBondContact O-N 3.27Å; V482-Q484 PolarHBondContact O-N 3.22Å; V482-A485 PolarHBondContact O-N 3.4Å; V482-I488 HydrophobicContact CG1-CD1 3.78Å; V482-I488 WeakPolarHBondContact O-CD1 3.34Å
483	L	81.7	Confident	80.5	Confident	112 Å²	112	70.5 Å²	70.5	59%	0.586	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.4	-179.8	-69.3	177.1	0	0	0	114	C479 A485	C479-L483 VanDerWaalsContact O-CB 3.24Å; C479-L483 WeakPolarHBondContact O-CB 3.47Å; C479-L483 WeakPolarHBondContact O-CG 3.12Å; C479-L483 PolarHBondContact O-N 3.13Å; C479-L483 WeakPolarHBondContact SG-CD1 3.4Å; L483-A485 VanDerWaalsContact C-N 3.31Å
484	Q	82.2	Confident	80	Confident	105 Å²	105	69.7 Å²	69.7	49%	0.491	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.6	174.4	-80.2	173.1	-1.6	0	0	112.5	W156 L312 L480 I481 V482 P486	W156-Q484 HydrophobicContact CH2-CB 3.9Å; W156-Q484 WeakPolarHBondContact CH2-O 3.5Å; W156-Q484 HydrophobicContact CZ3-CB 3.69Å; W156-Q484 WeakPolarHBondContact CZ3-O 3.38Å; L312-Q484 HydrophobicContact CD1-CB 4.47Å; L480-Q484 VanDerWaalsContact O-CG 3.23Å; L480-Q484 WeakPolarHBondContact O-CG 3.22Å; L480-Q484 PolarHBondContact O-N 3.08Å; I481-Q484 PolarHBondContact O-N 3.18Å; V482-Q484 PolarHBondContact O-N 3.22Å; Q484-P486 VanDerWaalsContact O-CD 3.23Å; Q484-P486 WeakPolarHBondContact O-CD 3.38Å
485	A	75.3	Confident	79.5	Confident	2 Å²	2	72.4 Å²	72.4	2%	0.017	41%	0.406	C	S	.	.			trans	-68	111.7	-176.1	0	0	0	0	0	111.1	W156 F159 L312 V482 L483 S487 I488	W156-A485 HydrophobicContact CE3-CB 4.43Å; F159-A485 HydrophobicContact CB-CB 4.46Å; F159-A485 HydrophobicContact CD2-CB 4.22Å; F159-A485 HydrophobicContact CG-CB 4.47Å; L312-A485 HydrophobicContact CD2-CB 3.93Å; V482-A485 PolarHBondContact O-N 3.4Å; L483-A485 VanDerWaalsContact C-N 3.31Å; A485-S487 PolarHBondContact O-N 3.04Å; A485-I488 HydrophobicContact CB-CD1 3.98Å; A485-I488 HydrophobicContact CB-CG1 4.13Å; A485-I488 PolarHBondContact O-N 3.18Å
486	P	70.1	Confident	78.6	Confident	73 Å²	73	72.6 Å²	72.6	47%	0.474	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-66	-29.9	-174.5	25.5	-32.6	0	0	0	112.1	W156 Q484 I488 H489	W156-P486 VanDerWaalsContact CD2-CD 3.46Å; W156-P486 HydrophobicContact CD2-CG 4.14Å; W156-P486 HydrophobicContact CG-CG 4.24Å; Q484-P486 VanDerWaalsContact O-CD 3.23Å; Q484-P486 WeakPolarHBondContact O-CD 3.38Å; P486-I488 VanDerWaalsContact C-N 3.25Å; P486-I488 PolarHBondContact O-N 3.44Å; P486-H489 PolarHBondContact O-N 3.12Å
487	S	65.5	Low	77.9	Confident	32 Å²	32	73.3 Å²	73.3	22%	0.224	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-71.3	-15.4	-174.4	108.9	0	0	0	0	114	F159 A485 H489 D490	F159-S487 VanDerWaalsContact CB-OG 3.24Å; F159-S487 WeakPolarHBondContact CB-OG 3.16Å; F159-S487 VanDerWaalsContact CD1-OG 3.24Å; F159-S487 WeakPolarHBondContact CD1-OG 3.34Å; A485-S487 PolarHBondContact O-N 3.04Å; S487-H489 PolarHBondContact O-N 2.74Å; S487-D490 PolarHBondContact O-N 2.8Å
488	I	67.3	Low	77.3	Confident	84 Å²	84	76.7 Å²	76.7	43%	0.431	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-63.1	-25.1	175.5	-65.5	176.4	0	0	0	110.4	V482 A485 P486	V482-I488 HydrophobicContact CG1-CD1 3.78Å; V482-I488 WeakPolarHBondContact O-CD1 3.34Å; A485-I488 HydrophobicContact CB-CD1 3.98Å; A485-I488 HydrophobicContact CB-CG1 4.13Å; A485-I488 PolarHBondContact O-N 3.18Å; P486-I488 VanDerWaalsContact C-N 3.25Å; P486-I488 PolarHBondContact O-N 3.44Å
489	H	63.7	Low	76.7	Confident	145 Å²	145	79.8 Å²	79.8	67%	0.671	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-102.7	0.5	179.1	-62.8	-56.3	0	0	0	113.9	P486 S487 S491	P486-H489 PolarHBondContact O-N 3.12Å; S487-H489 PolarHBondContact O-N 2.74Å; H489-S491 PolarHBondContact O-N 3.09Å
490	D	70	Confident	76.1	Confident	47 Å²	47	80.7 Å²	80.7	25%	0.251	45%	0.447	S	S	.	.			trans	-81.1	115.2	-178	-170.8	7.9	0	0	0	111.3	S487 R492	S487-D490 PolarHBondContact O-N 2.8Å; D490-R492 WeakPolarHBondContact OD1-CB 3.32Å; D490-R492 WeakPolarHBondContact OD1-CG 3.45Å; D490-R492 IonicContact OD1-CZ 2.79Å; D490-R492 PolarHBondContact OD1-N 3.08Å; D490-R492 IonicContact OD1-NE 3.34Å; D490-R492 PolarHBondContact OD1-NE 3.19Å; D490-R492 IonicContact OD1-NH2 3.1Å; D490-R492 IonicContact OD2-CZ 2.88Å; D490-R492 VanDerWaalsContact OD2-CZ 3.29Å; D490-R492 IonicContact OD2-NE 3.97Å; D490-R492 PolarHBondContact OD2-NE 2.81Å; D490-R492 IonicContact OD2-NH2 3.66Å; D490-R492 PolarHBondContact OD2-NH2 3.18Å
491	S	73.6	Confident	75.4	Confident	120 Å²	120	78.6 Å²	78.6	84%	0.839	44%	0.437	S	S	*	.			trans	-103.4	8.4	179.7	59.6	0	0	0	0	113.6	H489 S493	H489-S491 PolarHBondContact O-N 3.09Å; S491-S493 PolarHBondContact O-N 3.36Å
492	R	81.1	Confident	74.7	Confident	127 Å²	127	82.1 Å²	82.1	48%	0.479	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.2	135.1	179.5	-69.6	177.9	-66.1	168.9	0.1	111.3	E161 M219 R247 D490	E161-R492 IonicContact OE1-CZ 2.7Å; E161-R492 IonicContact OE1-NH2 3.87Å; E161-R492 PolarHBondContact OE1-NH2 3.26Å; E161-R492 IonicContact OE2-NH2 3.13Å; E161-R492 PolarHBondContact OE2-NH2 2.89Å; E161-R492 VanDerWaalsContact OE2-NH2 3.12Å; M219-R492 HydrophobicContact CE-CB 3.57Å; R247-R492 PolarHBondContact NH1-O 3.46Å; D490-R492 WeakPolarHBondContact OD1-CB 3.32Å; D490-R492 WeakPolarHBondContact OD1-CG 3.45Å; D490-R492 IonicContact OD1-CZ 2.79Å; D490-R492 PolarHBondContact OD1-N 3.08Å; D490-R492 IonicContact OD1-NE 3.34Å; D490-R492 PolarHBondContact OD1-NE 3.19Å; D490-R492 IonicContact OD1-NH2 3.1Å; D490-R492 IonicContact OD2-CZ 2.88Å; D490-R492 VanDerWaalsContact OD2-CZ 3.29Å; D490-R492 IonicContact OD2-NE 3.97Å; D490-R492 PolarHBondContact OD2-NE 2.81Å; D490-R492 IonicContact OD2-NH2 3.66Å; D490-R492 PolarHBondContact OD2-NH2 3.18Å
493	S	78.5	Confident	74.3	Confident	102 Å²	102	83.6 Å²	83.6	71%	0.713	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-75.2	154.1	169.9	56.5	0	0	0	0	110.9	M219 S491	M219-S493 WeakPolarHBondContact CE-O 3.3Å; S491-S493 PolarHBondContact O-N 3.36Å
494	S	80.7	Confident	73.7	Confident	41 Å²	41	81.4 Å²	81.4	29%	0.287	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-61.3	157.7	166.3	50.4	0	0	0	0	110.7	V496	S494-V496 VanDerWaalsContact C-N 3.27Å; S494-V496 WeakPolarHBondContact CB-O 3.49Å; S494-V496 PolarHBondContact OG-O 3.32Å
495	L	79.5	Confident	73	Confident	74 Å²	74	79.4 Å²	79.4	39%	0.387	45%	0.451	S	S	.	.			trans	-72.4	-23.4	176.4	-169.6	65.5	0	0	0	112.6	L207 I218 V221	L207-L495 HydrophobicContact CD1-CD2 3.68Å; L207-L495 HydrophobicContact CD1-CG 4.38Å; I218-L495 HydrophobicContact CG2-CD2 4.46Å; I218-L495 VanDerWaalsContact O-CB 3.31Å; I218-L495 WeakPolarHBondContact O-CB 3.47Å; I218-L495 PolarHBondContact O-N 3.16Å; V221-L495 HydrophobicContact CG2-CD2 3.86Å
496	V	71.2	Confident	72.8	Confident	106 Å²	106	86.5 Å²	86.5	64%	0.642	49%	0.491	S	S	*	.			trans	-118.4	0	179.3	-173.3	0	0	0	0	110.5	L207 F210 S494	L207-V496 HydrophobicContact CB-CG2 4.27Å; L207-V496 HydrophobicContact CD1-CG2 3.89Å; F210-V496 HydrophobicContact CD1-CB 4.3Å; F210-V496 HydrophobicContact CD1-CG1 4.18Å; F210-V496 HydrophobicContact CD1-CG2 4.01Å; S494-V496 VanDerWaalsContact C-N 3.27Å; S494-V496 WeakPolarHBondContact CB-O 3.49Å; S494-V496 PolarHBondContact OG-O 3.32Å

Retrieved 496 of 496 residues in 353.9 ms (Link to these results)

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