A0A087Y6N8_POEFO Loading...

N-terminal EF-hand calcium-binding protein 1

AlphaFold DB , UniProt , Accession A0A087Y6N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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	39	Very low	32.3	Very low	251 Å²	251	153 Å²	153	100%	1.236	84%	0.844	S	S	*	*				0	98.4	0	-83.1	172.7	168.9	0	0	104.7
2	D	35.1	Very low	32.4	Very low	145 Å²	145	155.8 Å²	155.8	78%	0.775	85%	0.846	S	S	*	*			trans	-108.8	119.3	-168.4	-162.5	3.2	0	0	0	104.6
3	C	31.8	Very low	32.1	Very low	129 Å²	129	157.3 Å²	157.3	87%	0.872	84%	0.844	S	S	*	*			trans	-138.8	76.2	176.5	-79.1	0	0	0	0	107.5
4	S	34.6	Very low	32.1	Very low	104 Å²	104	154.5 Å²	154.5	73%	0.727	84%	0.838	S	S	*	*			trans	-89.2	107.3	161.3	-59.1	0	0	0	0	106.8	E6	S4-E6 PolarHBondContact O-N 3.2Å
5	E	38.8	Very low	32	Very low	189 Å²	189	151.9 Å²	151.9	88%	0.883	83%	0.834	S	S	*	*			trans	-76.1	112.6	169.3	-78.1	178	160.2	0	0	108.5	L7	E5-L7 PolarHBondContact O-N 3.24Å
6	E	33.4	Very low	31.9	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	83%	0.831	S	S	*	*			trans	-66	103.9	168.3	-73.6	177.2	152	0	0	109.3	S4 Q8	S4-E6 PolarHBondContact O-N 3.2Å; E6-Q8 PolarHBondContact O-N 2.68Å
7	L	34.1	Very low	32.3	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	83%	0.831	S	S	*	*			trans	-75	101.3	160.8	-80.1	165.8	0	0	0	107.9	E5 S9	E5-L7 PolarHBondContact O-N 3.24Å; L7-S9 PolarHBondContact O-N 3.44Å
8	Q	28.5	Very low	33	Very low	177 Å²	177	149.7 Å²	149.7	83%	0.827	82%	0.817	S	S	*	*			trans	-55.5	109.6	167.1	-85.1	166.6	-32.5	0	0	109.5	E6 V10	E6-Q8 PolarHBondContact O-N 2.68Å; Q8-V10 PolarHBondContact O-N 2.99Å
9	S	26	Very low	34	Very low	101 Å²	101	152.5 Å²	152.5	71%	0.706	82%	0.824	S	S	*	*			trans	-64	112.8	164.9	57.5	0	0	0	0	108.3	L7 S11	L7-S9 PolarHBondContact O-N 3.44Å; S9-S11 PolarHBondContact O-N 3.17Å
10	V	27.6	Very low	35.5	Very low	136 Å²	136	147.5 Å²	147.5	82%	0.824	80%	0.796	S	S	*	*			trans	-65.7	103.4	164.9	177.6	0	0	0	0	106.6	Q8 E12	Q8-V10 PolarHBondContact O-N 2.99Å; V10-E12 PolarHBondContact O-N 2.8Å; V10-E12 VanDerWaalsContact O-N 3.14Å
11	S	26.6	Very low	37.3	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	79%	0.788	S	S	*	*			trans	-66	104.1	170.3	-46	0	0	0	0	107.8	S9 E13	S9-S11 PolarHBondContact O-N 3.17Å; S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 VanDerWaalsContact O-N 3.17Å
12	E	33.8	Very low	39.1	Very low	186 Å²	186	140.8 Å²	140.8	87%	0.869	75%	0.753	S	S	*	*			trans	-63.8	110.5	161.5	-75.1	179.4	165.7	0	0	107.2	V10	V10-E12 PolarHBondContact O-N 2.8Å; V10-E12 VanDerWaalsContact O-N 3.14Å
13	E	28.2	Very low	41.1	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	72%	0.716	S	S	*	*			trans	-63.5	135.1	172.9	-68	-152.6	156	0	0	109.7	S11 C15	S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 VanDerWaalsContact O-N 3.17Å; E13-C15 PolarHBondContact O-N 3.06Å; E13-C15 VanDerWaalsContact O-N 3.08Å
14	P	32.6	Very low	43.4	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	68%	0.677	S	S	*	*			trans	-69	111.4	172	28.2	-29.4	0	0	0	107.6	T16	P14-T16 PolarHBondContact O-N 3.34Å; P14-T16 VanDerWaalsContact O-N 3.1Å
15	C	29.3	Very low	45.8	Very low	115 Å²	115	125.6 Å²	125.6	78%	0.777	66%	0.659	S	S	*	*			trans	-47.6	121	170.5	-170.8	0	0	0	0	108.4	E13 Q17	E13-C15 PolarHBondContact O-N 3.06Å; E13-C15 VanDerWaalsContact O-N 3.08Å; C15-Q17 PolarHBondContact O-N 2.84Å
16	T	30.5	Very low	48	Very low	126 Å²	126	118.9 Å²	118.9	77%	0.773	63%	0.629	S	S	*	*			trans	-54.2	102	179.9	43.9	0	0	0	0	109.1	P14 L18	P14-T16 PolarHBondContact O-N 3.34Å; P14-T16 VanDerWaalsContact O-N 3.1Å; T16-L18 VanDerWaalsContact C-N 3.3Å; T16-L18 PolarHBondContact O-N 3.38Å
17	Q	38.9	Very low	50.4	Low	178 Å²	178	110.6 Å²	110.6	83%	0.832	59%	0.59	S	S	*	*			trans	-65.1	94.3	169.6	-75	177.6	-28.1	0	0	107.3	C15 E19	C15-Q17 PolarHBondContact O-N 2.84Å; Q17-E19 PolarHBondContact O-N 3.19Å
18	L	45.8	Very low	52.8	Low	112 Å²	112	105.7 Å²	105.7	59%	0.586	56%	0.564	S	S	*	*			trans	-46.7	126.7	145.7	-84.1	152.3	0	0	0	105.7	T16 L20	T16-L18 VanDerWaalsContact C-N 3.3Å; T16-L18 PolarHBondContact O-N 3.38Å; L18-L20 HydrophobicContact CB-CG 4.18Å; L18-L20 PolarHBondContact O-N 3.19Å
19	E	50.7	Low	55.6	Low	203 Å²	203	99.7 Å²	99.7	95%	0.949	54%	0.537	S	S	*	.			trans	-65.8	71.5	174.1	-79.8	-173.5	155	0	0	108.8	Q17	Q17-E19 PolarHBondContact O-N 3.19Å
20	L	64	Low	58.5	Low	52 Å²	52	96 Å²	96	27%	0.272	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-68.5	138.3	172.7	-73	173.1	0	0	0	107.4	L18 M24 I28	L18-L20 HydrophobicContact CB-CG 4.18Å; L18-L20 PolarHBondContact O-N 3.19Å; L20-M24 HydrophobicContact CB-CB 4.13Å; L20-I28 HydrophobicContact CD1-CD1 3.5Å; L20-I28 HydrophobicContact CD1-CG1 4.02Å
21	K	73.3	Confident	61.3	Low	145 Å²	145	89.9 Å²	89.9	63%	0.63	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.3	148.7	174.3	-69.3	177.1	-179.8	171.6	0	109.6	G23 M24	K21-G23 PolarHBondContact O-N 3.09Å; K21-M24 HydrophobicContact CB-CG 3.84Å; K21-M24 VanDerWaalsContact O-CB 3.24Å; K21-M24 WeakPolarHBondContact O-CB 3.42Å; K21-M24 VanDerWaalsContact O-CG 3.27Å; K21-M24 WeakPolarHBondContact O-CG 3.44Å; K21-M24 PolarHBondContact O-N 2.98Å
22	K	76.7	Confident	64.2	Low	113 Å²	113	93.4 Å²	93.4	49%	0.491	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	131.9	176.3	-161.2	-177.9	178.8	-173.8	0	109.5	A97 E101	K22-A97 HydrophobicContact CB-CB 4.35Å; K22-A97 HydrophobicContact CD-CB 3.91Å; K22-A97 VanDerWaalsContact CE-O 3.29Å; K22-A97 WeakPolarHBondContact CE-O 3.49Å; K22-A97 HydrophobicContact CG-CB 3.74Å; K22-E101 IonicContact NZ-OE2 2.87Å; K22-E101 PolarHBondContact NZ-OE2 3.03Å
23	G	77	Confident	66.9	Low	0 Å²	0	90.2 Å²	90.2	0%	0	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	-7	-174.9	0	0	0	0	0	115.1	K21 E100	K21-G23 PolarHBondContact O-N 3.09Å; G23-E100 WeakPolarHBondContact CA-OE1 3.14Å; G23-E100 PolarHBondContact N-OE1 2.91Å; G23-E100 VanDerWaalsContact N-OE1 3.15Å; G23-E100 PolarHBondContact N-OE2 3.12Å
24	M	81.8	Confident	69.8	Low	9 Å²	9	81.9 Å²	81.9	4%	0.044	41%	0.412	C	S	.	.			trans	-94.8	-14.3	-176.5	-57.7	-55.6	98.8	0	0	114.3	L20 K21 I26 F27 L89 E100	L20-M24 HydrophobicContact CB-CB 4.13Å; K21-M24 HydrophobicContact CB-CG 3.84Å; K21-M24 VanDerWaalsContact O-CB 3.24Å; K21-M24 WeakPolarHBondContact O-CB 3.42Å; K21-M24 VanDerWaalsContact O-CG 3.27Å; K21-M24 WeakPolarHBondContact O-CG 3.44Å; K21-M24 PolarHBondContact O-N 2.98Å; M24-I26 PolarHBondContact O-N 3.37Å; M24-I26 VanDerWaalsContact O-N 3.12Å; M24-F27 HydrophobicContact CB-CD2 4.24Å; M24-F27 HydrophobicContact CE-CE2 4.27Å; M24-F27 WeakPolarHBondContact O-CB 3.44Å; M24-F27 WeakPolarHBondContact O-CD2 3.44Å; M24-F27 PolarHBondContact O-N 2.82Å; M24-F27 HydrophobicContact SD-CD2 4.09Å; M24-F27 HydrophobicContact SD-CE2 3.73Å; M24-L89 HydrophobicContact CE-CD1 3.09Å; M24-L89 HydrophobicContact SD-CD1 3.87Å; M24-E100 PolarHBondContact N-OE1 2.85Å; M24-E100 VanDerWaalsContact N-OE1 3.08Å
25	S	83.8	Confident	72.6	Confident	51 Å²	51	76.9 Å²	76.9	36%	0.357	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-22.4	-179	68.3	0	0	0	0	112.5	F27 I28 E100	S25-F27 PolarHBondContact O-N 2.94Å; S25-I28 WeakPolarHBondContact O-CB 3.47Å; S25-I28 PolarHBondContact O-N 3.13Å; S25-I28 VanDerWaalsContact O-N 3.14Å; S25-E100 WeakPolarHBondContact CA-OE1 3.42Å; S25-E100 VanDerWaalsContact CB-OE1 3.28Å; S25-E100 WeakPolarHBondContact CB-OE1 3Å; S25-E100 PolarHBondContact N-OE1 3.27Å; S25-E100 WeakPolarHBondContact OG-CG 3.46Å; S25-E100 PolarHBondContact OG-OE1 3.04Å
26	I	84.4	Confident	75.5	Confident	48 Å²	48	78.6 Å²	78.6	25%	0.246	37%	0.373	C	S	.	.	H	α-helix	trans	-61.1	-26.1	173.5	-164.1	166.7	0	0	0	112.9	M24 I28 D29 I30 L96	M24-I26 PolarHBondContact O-N 3.37Å; M24-I26 VanDerWaalsContact O-N 3.12Å; I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 PolarHBondContact O-N 3.43Å; I26-D29 CarbonylContact O-C 3.52Å; I26-D29 WeakPolarHBondContact O-CA 3.35Å; I26-D29 WeakPolarHBondContact O-CB 3.18Å; I26-D29 PolarHBondContact O-N 2.75Å; I26-D29 VanDerWaalsContact O-N 3.09Å; I26-I30 HydrophobicContact CG1-CD1 4.42Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.29Å; I26-L96 HydrophobicContact CD1-CD2 3.64Å; I26-L96 HydrophobicContact CG2-CD1 4.01Å; I26-L96 HydrophobicContact CG2-CD2 4.15Å
27	F	84.9	Confident	78.4	Confident	8 Å²	8	76.9 Å²	76.9	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-69.5	-29.7	178.3	-68.8	-70.4	0	0	0	112.1	M24 S25 D29 I30 L31 L81 C82 F85 L89	M24-F27 HydrophobicContact CB-CD2 4.24Å; M24-F27 HydrophobicContact CE-CE2 4.27Å; M24-F27 WeakPolarHBondContact O-CB 3.44Å; M24-F27 WeakPolarHBondContact O-CD2 3.44Å; M24-F27 PolarHBondContact O-N 2.82Å; M24-F27 HydrophobicContact SD-CD2 4.09Å; M24-F27 HydrophobicContact SD-CE2 3.73Å; S25-F27 PolarHBondContact O-N 2.94Å; F27-D29 VanDerWaalsContact C-N 3.31Å; F27-I30 HydrophobicContact CD1-CD1 3.72Å; F27-I30 HydrophobicContact CE1-CD1 3.97Å; F27-I30 PolarHBondContact O-N 3.12Å; F27-L31 PolarHBondContact O-N 3.42Å; F27-L81 HydrophobicContact CB-CD2 4.46Å; F27-L81 HydrophobicContact CD1-CD2 4.13Å; F27-L81 HydrophobicContact CD1-CG 4.4Å; F27-C82 VanDerWaalsContact CB-SG 3.52Å; F27-F85 HydrophobicContact CD1-CB 4.38Å; F27-F85 HydrophobicContact CD1-CD2 4.09Å; F27-F85 HydrophobicContact CD1-CG 4.42Å; F27-F85 HydrophobicContact CE1-CB 3.44Å; F27-F85 VanDerWaalsContact CE1-CB 3.44Å; F27-F85 HydrophobicContact CE1-CD1 4.25Å; F27-F85 AromaticContact CE1-CD2 3.55Å; F27-F85 HydrophobicContact CE1-CD2 3.55Å; F27-F85 HydrophobicContact CE1-CE2 4.37Å; F27-F85 AromaticContact CE1-CG 3.48Å; F27-F85 HydrophobicContact CE1-CG 3.48Å; F27-F85 VanDerWaalsContact CE1-CG 3.48Å; F27-F85 HydrophobicContact CE2-CB 4.07Å; F27-F85 HydrophobicContact CZ-CB 3.27Å; F27-F85 HydrophobicContact CZ-CD2 4.3Å; F27-F85 AromaticContact CZ-CG 3.82Å; F27-F85 HydrophobicContact CZ-CG 3.82Å; F27-L89 HydrophobicContact CE2-CD1 4.19Å; F27-L89 HydrophobicContact CZ-CD1 4.36Å; F27-L89 HydrophobicContact CZ-CD2 4.19Å
28	I	84.8	Confident	80.6	Confident	68 Å²	68	75 Å²	75	35%	0.349	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-44.2	168.9	-57.8	168.2	0	0	0	109.3	L20 S25 I26 I30 L31 R32 T78	L20-I28 HydrophobicContact CD1-CD1 3.5Å; L20-I28 HydrophobicContact CD1-CG1 4.02Å; S25-I28 WeakPolarHBondContact O-CB 3.47Å; S25-I28 PolarHBondContact O-N 3.13Å; S25-I28 VanDerWaalsContact O-N 3.14Å; I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 PolarHBondContact O-N 3.43Å; I28-I30 VanDerWaalsContact C-N 3.33Å; I28-I30 PolarHBondContact O-N 2.99Å; I28-L31 PolarHBondContact O-N 3.38Å; I28-R32 WeakPolarHBondContact O-CG 3.14Å; I28-R32 PolarHBondContact O-N 3.43Å; I28-T78 HydrophobicContact CG1-CG2 4.01Å
29	D	86.1	Confident	82.7	Confident	51 Å²	51	73.8 Å²	73.8	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-35.6	177.6	-65.5	-14	0	0	0	112.8	I26 F27 R32 R33	I26-D29 CarbonylContact O-C 3.52Å; I26-D29 WeakPolarHBondContact O-CA 3.35Å; I26-D29 WeakPolarHBondContact O-CB 3.18Å; I26-D29 PolarHBondContact O-N 2.75Å; I26-D29 VanDerWaalsContact O-N 3.09Å; F27-D29 VanDerWaalsContact C-N 3.31Å; D29-R32 IonicContact OD1-CZ 3.81Å; D29-R32 IonicContact OD1-NE 3.78Å; D29-R32 IonicContact OD1-NH2 3.1Å; D29-R32 PolarHBondContact OD1-NH2 2.97Å; D29-R33 WeakPolarHBondContact O-CG 3.13Å; D29-R33 PolarHBondContact O-N 2.74Å; D29-R33 PolarHBondContact O-NE 3.19Å
30	I	87.4	Confident	84.3	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-49.6	174.4	-72.6	165.5	0	0	0	109.8	I26 F27 I28 R32 R33 A34 Y50 F51 L81	I26-I30 HydrophobicContact CG1-CD1 4.42Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.29Å; F27-I30 HydrophobicContact CD1-CD1 3.72Å; F27-I30 HydrophobicContact CE1-CD1 3.97Å; F27-I30 PolarHBondContact O-N 3.12Å; I28-I30 VanDerWaalsContact C-N 3.33Å; I28-I30 PolarHBondContact O-N 2.99Å; I30-R32 PolarHBondContact O-N 3.36Å; I30-R33 PolarHBondContact O-N 3.3Å; I30-A34 WeakPolarHBondContact O-CB 3.5Å; I30-A34 PolarHBondContact O-N 3.11Å; I30-Y50 HydrophobicContact CG2-CD1 4.35Å; I30-Y50 HydrophobicContact CG2-CE1 3.61Å; I30-F51 HydrophobicContact CG2-CZ 3.97Å; I30-L81 HydrophobicContact CG2-CD2 4.21Å
31	L	86.9	Confident	85.6	Confident	9 Å²	9	67.7 Å²	67.7	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-47.9	176.7	-97	140	0	0	0	112.1	F27 I28 R33 A34 D35 L42 T78 L81	F27-L31 PolarHBondContact O-N 3.42Å; I28-L31 PolarHBondContact O-N 3.38Å; L31-R33 PolarHBondContact O-N 3.07Å; L31-A34 PolarHBondContact O-N 3.41Å; L31-D35 WeakPolarHBondContact O-CB 3.37Å; L31-D35 PolarHBondContact O-N 2.95Å; L31-L42 HydrophobicContact CD2-CD1 3.87Å; L31-L42 HydrophobicContact CD2-CD2 4.04Å; L31-L42 HydrophobicContact CD2-CG 3.56Å; L31-L42 HydrophobicContact CG-CD1 4.18Å; L31-L42 HydrophobicContact CG-CG 4.38Å; L31-T78 HydrophobicContact CD1-CG2 3.86Å; L31-T78 WeakPolarHBondContact CD1-OG1 3.43Å; L31-L81 HydrophobicContact CD1-CB 4.35Å; L31-L81 HydrophobicContact CD1-CD2 3.69Å; L31-L81 HydrophobicContact CG-CD2 4.09Å
32	R	87.6	Confident	86.5	Confident	171 Å²	171	60.8 Å²	60.8	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-57.8	-24.7	175.4	-69.9	-170.9	-56	163.3	3	114.1	I28 D29 I30	I28-R32 WeakPolarHBondContact O-CG 3.14Å; I28-R32 PolarHBondContact O-N 3.43Å; D29-R32 IonicContact OD1-CZ 3.81Å; D29-R32 IonicContact OD1-NE 3.78Å; D29-R32 IonicContact OD1-NH2 3.1Å; D29-R32 PolarHBondContact OD1-NH2 2.97Å; I30-R32 PolarHBondContact O-N 3.36Å
33	R	89.8	Confident	87.3	Confident	118 Å²	118	57 Å²	57	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-88.1	-32.6	176.1	-72.9	-178	-70.2	-114.9	-6	112.7	D29 I30 L31 K36 Y50	D29-R33 WeakPolarHBondContact O-CG 3.13Å; D29-R33 PolarHBondContact O-N 2.74Å; D29-R33 PolarHBondContact O-NE 3.19Å; I30-R33 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 3.07Å; R33-K36 PolarHBondContact O-NZ 2.92Å; R33-Y50 HydrophobicContact CB-CE2 3.69Å; R33-Y50 PolarHBondContact NE-OH 3.43Å
34	A	90	Very high	87.9	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-84.2	-40.1	-176	0	0	0	0	0	112.3	I30 L31 K36 L42 Y50	I30-A34 WeakPolarHBondContact O-CB 3.5Å; I30-A34 PolarHBondContact O-N 3.11Å; L31-A34 PolarHBondContact O-N 3.41Å; A34-K36 PolarHBondContact O-N 3.21Å; A34-L42 HydrophobicContact CB-CD1 3.94Å; A34-L42 HydrophobicContact CB-CD2 3.53Å; A34-L42 HydrophobicContact CB-CG 4.41Å; A34-Y50 HydrophobicContact CB-CD1 4.05Å; A34-Y50 HydrophobicContact CB-CD2 3.68Å; A34-Y50 HydrophobicContact CB-CE2 4.28Å; A34-Y50 HydrophobicContact CB-CG 3.53Å
35	D	91.1	Very high	88.4	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.07	33%	0.326	C	S	.	.			trans	-68	113.8	175.2	-179.8	-5.9	0	0	0	108.8	L31 N37 D38 D39 G40 L42	L31-D35 WeakPolarHBondContact O-CB 3.37Å; L31-D35 PolarHBondContact O-N 2.95Å; D35-N37 PolarHBondContact OD1-N 2.94Å; D35-N37 PolarHBondContact OD1-OD1 3.29Å; D35-D38 WeakPolarHBondContact OD1-CA 3.38Å; D35-D38 PolarHBondContact OD1-N 2.97Å; D35-D38 WeakPolarHBondContact OD2-CA 3.32Å; D35-D39 PolarHBondContact OD1-N 3.12Å; D35-D39 PolarHBondContact OD2-N 2.87Å; D35-G40 WeakPolarHBondContact OD2-CA 3.37Å; D35-G40 PolarHBondContact OD2-N 2.81Å; D35-L42 HydrophobicContact CB-CD2 3.9Å; D35-L42 VanDerWaalsContact N-CD2 3.28Å
36	K	90.7	Very high	88.8	Confident	151 Å²	151	63.3 Å²	63.3	66%	0.657	31%	0.314	S	S	*	.	S	Bend	trans	-99.7	-17.7	-177.2	-65.7	-51.2	-174.2	-160.4	0	112.6	R33 A34 E46	R33-K36 PolarHBondContact O-NZ 2.92Å; A34-K36 PolarHBondContact O-N 3.21Å; K36-E46 PolarHBondContact N-OE1 3.22Å
37	N	90	Very high	89.2	Confident	90 Å²	90	61 Å²	61	48%	0.481	30%	0.302	S	S	.	.	S	Bend	trans	-104.1	-1.8	-178.3	71.1	1.4	0	0	0	112.7	D35 D39 E46	D35-N37 PolarHBondContact OD1-N 2.94Å; D35-N37 PolarHBondContact OD1-OD1 3.29Å; N37-D39 PolarHBondContact ND2-OD2 3.31Å; N37-D39 PolarHBondContact O-N 3.1Å; N37-D39 WeakPolarHBondContact OD1-CB 3.32Å; N37-D39 PolarHBondContact OD1-N 3.41Å; N37-D39 PolarHBondContact OD1-OD1 2.88Å; N37-D39 PolarHBondContact OD1-OD2 3.25Å; N37-E46 PolarHBondContact N-OE1 2.91Å
38	D	86.8	Confident	89.4	Confident	139 Å²	139	64.7 Å²	64.7	74%	0.743	32%	0.318	S	S	*	.			trans	56.9	33.5	-179.3	-62.7	-56.4	0	0	0	112.6	D35 G40	D35-D38 WeakPolarHBondContact OD1-CA 3.38Å; D35-D38 PolarHBondContact OD1-N 2.97Å; D35-D38 WeakPolarHBondContact OD2-CA 3.32Å; D38-G40 VanDerWaalsContact C-N 3.33Å
39	D	88.8	Confident	89.7	Confident	85 Å²	85	65.7 Å²	65.7	46%	0.455	33%	0.331	S	S	.	.	S	Bend	trans	-86.1	-5	178.8	78.8	16	0	0	0	113.9	D35 N37 K41	D35-D39 PolarHBondContact OD1-N 3.12Å; D35-D39 PolarHBondContact OD2-N 2.87Å; N37-D39 PolarHBondContact ND2-OD2 3.31Å; N37-D39 PolarHBondContact O-N 3.1Å; N37-D39 WeakPolarHBondContact OD1-CB 3.32Å; N37-D39 PolarHBondContact OD1-N 3.41Å; N37-D39 PolarHBondContact OD1-OD1 2.88Å; N37-D39 PolarHBondContact OD1-OD2 3.25Å; D39-K41 WeakPolarHBondContact OD1-CA 3.29Å; D39-K41 PolarHBondContact OD1-N 3.4Å
40	G	85.8	Confident	89.9	Confident	43 Å²	43	67.3 Å²	67.3	44%	0.443	33%	0.334	S	S	.	.	S	Bend	trans	83.9	7.4	177.4	0	0	0	0	0	114.2	D35 D38	D35-G40 WeakPolarHBondContact OD2-CA 3.37Å; D35-G40 PolarHBondContact OD2-N 2.81Å; D38-G40 VanDerWaalsContact C-N 3.33Å
41	K	90.8	Very high	90	Very high	85 Å²	85	68.2 Å²	68.2	37%	0.37	34%	0.337	S	S	.	.	S	Bend	trans	-138	161.8	179.5	-55.7	-176.5	173.7	-168.9	0	110.2	D39 N75 D77	D39-K41 WeakPolarHBondContact OD1-CA 3.29Å; D39-K41 PolarHBondContact OD1-N 3.4Å; K41-N75 HydrophobicContact CB-CB 4.05Å; K41-N75 HydrophobicContact CD-CB 4.18Å; K41-D77 HydrophobicContact CG-CB 4.43Å
42	L	91.6	Very high	90	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-106.6	117.1	175.6	-60	176.1	0	0	0	110.2	L31 A34 D35 E46 F47 F51 N75 V76	L31-L42 HydrophobicContact CD2-CD1 3.87Å; L31-L42 HydrophobicContact CD2-CD2 4.04Å; L31-L42 HydrophobicContact CD2-CG 3.56Å; L31-L42 HydrophobicContact CG-CD1 4.18Å; L31-L42 HydrophobicContact CG-CG 4.38Å; A34-L42 HydrophobicContact CB-CD1 3.94Å; A34-L42 HydrophobicContact CB-CD2 3.53Å; A34-L42 HydrophobicContact CB-CG 4.41Å; D35-L42 HydrophobicContact CB-CD2 3.9Å; D35-L42 VanDerWaalsContact N-CD2 3.28Å; L42-E46 HydrophobicContact CD2-CB 4.23Å; L42-F47 HydrophobicContact CD1-CD2 4.41Å; L42-F51 HydrophobicContact CD1-CE2 4.25Å; L42-N75 VanDerWaalsContact O-CA 3.32Å; L42-N75 WeakPolarHBondContact O-CA 3.33Å; L42-V76 HydrophobicContact CB-CB 4.42Å; L42-V76 PolarHBondContact N-O 2.98Å; L42-V76 PolarHBondContact O-N 3.49Å
43	S	92.7	Very high	89.8	Confident	33 Å²	33	67.7 Å²	67.7	23%	0.231	35%	0.353	C	S	.	.			trans	-66.9	162.1	162.2	65.8	0	0	0	0	110.8	D45 E46 F47	S43-D45 PolarHBondContact O-N 2.81Å; S43-E46 WeakPolarHBondContact CB-OE2 3.46Å; S43-E46 PolarHBondContact N-OE2 3.22Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 WeakPolarHBondContact OG-CG 3.41Å; S43-E46 PolarHBondContact OG-N 2.91Å; S43-E46 PolarHBondContact OG-OE2 3.44Å; S43-F47 WeakPolarHBondContact O-CB 3.32Å; S43-F47 PolarHBondContact O-N 3.01Å
44	F	91.1	Very high	89.3	Confident	49 Å²	49	65.5 Å²	65.5	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-35.1	176.9	177.4	-108.9	0	0	0	112.9	K48 K62 F65	F44-K48 HydrophobicContact CE1-CD 4.09Å; F44-K48 HydrophobicContact CZ-CB 4.42Å; F44-K48 HydrophobicContact CZ-CD 4.17Å; F44-K48 WeakPolarHBondContact O-CB 3.49Å; F44-K48 PolarHBondContact O-N 3.02Å; F44-K62 HydrophobicContact CD2-CG 4.44Å; F44-K62 HydrophobicContact CE2-CB 3.69Å; F44-K62 HydrophobicContact CE2-CG 3.91Å; F44-K62 HydrophobicContact CZ-CB 3.74Å; F44-K62 HydrophobicContact CZ-CD 4.33Å; F44-K62 HydrophobicContact CZ-CG 4.05Å; F44-F65 HydrophobicContact CB-CD1 4.42Å; F44-F65 HydrophobicContact CB-CE1 4.2Å; F44-F65 HydrophobicContact CB-CE2 4.28Å; F44-F65 HydrophobicContact CB-CZ 4.11Å; F44-F65 HydrophobicContact CD2-CB 3.88Å; F44-F65 HydrophobicContact CD2-CD1 4.1Å; F44-F65 HydrophobicContact CD2-CD2 4.09Å; F44-F65 AromaticContact CD2-CG 3.76Å; F44-F65 HydrophobicContact CD2-CG 3.76Å; F44-F65 HydrophobicContact CE2-CB 4.23Å
45	D	91.4	Very high	88.8	Confident	123 Å²	123	67.6 Å²	67.6	66%	0.658	38%	0.38	S	S	*	.	H	α-helix	trans	-69.3	-38.9	-179.9	-72.6	-32.7	0	0	0	111.7	S43 S49	S43-D45 PolarHBondContact O-N 2.81Å; D45-S49 VanDerWaalsContact O-CB 3.32Å; D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.89Å
46	E	93.3	Very high	88.5	Confident	20 Å²	20	70.6 Å²	70.6	9%	0.093	40%	0.395	C	S	.	.	H	α-helix	trans	-69.2	-45.2	174.6	-72.8	164.2	139.3	0	0	111.7	K36 N37 L42 S43 K48 S49 Y50	K36-E46 PolarHBondContact N-OE1 3.22Å; N37-E46 PolarHBondContact N-OE1 2.91Å; L42-E46 HydrophobicContact CD2-CB 4.23Å; S43-E46 WeakPolarHBondContact CB-OE2 3.46Å; S43-E46 PolarHBondContact N-OE2 3.22Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 WeakPolarHBondContact OG-CG 3.41Å; S43-E46 PolarHBondContact OG-N 2.91Å; S43-E46 PolarHBondContact OG-OE2 3.44Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.32Å; E46-S49 PolarHBondContact O-N 2.76Å; E46-Y50 WeakPolarHBondContact O-CB 3.43Å; E46-Y50 PolarHBondContact O-N 2.83Å
47	F	91.7	Very high	88.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-57	-49.6	174.1	-173.8	-88.9	0	0	0	110.5	L42 S43 S49 Y50 F51 L61 L64 F65 I68 L81	L42-F47 HydrophobicContact CD1-CD2 4.41Å; S43-F47 WeakPolarHBondContact O-CB 3.32Å; S43-F47 PolarHBondContact O-N 3.01Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 3.17Å; F47-Y50 PolarHBondContact O-N 3.23Å; F47-F51 HydrophobicContact CB-CD2 4.48Å; F47-F51 HydrophobicContact CD1-CB 4.49Å; F47-F51 HydrophobicContact CD1-CD2 4.08Å; F47-F51 AromaticContact CD2-CD2 3.41Å; F47-F51 HydrophobicContact CD2-CD2 3.41Å; F47-F51 VanDerWaalsContact CD2-CD2 3.41Å; F47-F51 AromaticContact CD2-CE2 3.47Å; F47-F51 HydrophobicContact CD2-CE2 3.47Å; F47-F51 VanDerWaalsContact CD2-CE2 3.47Å; F47-F51 HydrophobicContact CD2-CG 4.43Å; F47-F51 HydrophobicContact CE1-CB 4.22Å; F47-F51 HydrophobicContact CE1-CD2 4.12Å; F47-F51 HydrophobicContact CE1-CG 4.32Å; F47-F51 AromaticContact CE2-CD2 3.45Å; F47-F51 HydrophobicContact CE2-CD2 3.45Å; F47-F51 VanDerWaalsContact CE2-CD2 3.45Å; F47-F51 AromaticContact CE2-CE2 3.48Å; F47-F51 HydrophobicContact CE2-CE2 3.48Å; F47-F51 VanDerWaalsContact CE2-CE2 3.48Å; F47-F51 HydrophobicContact CE2-CG 4.13Å; F47-F51 HydrophobicContact CE2-CZ 4.15Å; F47-F51 AromaticContact CG-CD2 3.74Å; F47-F51 HydrophobicContact CG-CD2 3.74Å; F47-F51 HydrophobicContact CG-CE2 4.23Å; F47-F51 HydrophobicContact CZ-CB 4.41Å; F47-F51 AromaticContact CZ-CD2 3.81Å; F47-F51 HydrophobicContact CZ-CD2 3.81Å; F47-F51 HydrophobicContact CZ-CE2 4.24Å; F47-F51 HydrophobicContact CZ-CG 4.06Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 VanDerWaalsContact O-CD2 3.29Å; F47-F51 WeakPolarHBondContact O-CD2 3.3Å; F47-F51 PolarHBondContact O-N 2.94Å; F47-L61 HydrophobicContact CD1-CD1 4.42Å; F47-L61 HydrophobicContact CD1-CG 4.32Å; F47-L61 HydrophobicContact CE1-CD1 3.8Å; F47-L61 HydrophobicContact CE1-CG 4.09Å; F47-L64 HydrophobicContact CE1-CD2 4.32Å; F47-L64 HydrophobicContact CE1-CG 4.45Å; F47-L64 HydrophobicContact CZ-CD2 4.07Å; F47-L64 HydrophobicContact CZ-CG 4.15Å; F47-F65 HydrophobicContact CB-CD2 3.71Å; F47-F65 HydrophobicContact CB-CE2 3.93Å; F47-F65 HydrophobicContact CD1-CB 4.2Å; F47-F65 AromaticContact CD1-CD2 3.88Å; F47-F65 HydrophobicContact CD1-CD2 3.88Å; F47-F65 AromaticContact CD2-CD2 4Å; F47-F65 HydrophobicContact CD2-CD2 4Å; F47-F65 HydrophobicContact CE1-CB 4.27Å; F47-F65 AromaticContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CE2 4.24Å; F47-I68 HydrophobicContact CE2-CD1 3.8Å; F47-I68 HydrophobicContact CZ-CD1 3.71Å; F47-L81 HydrophobicContact CE2-CD1 4.37Å
48	K	90.4	Very high	88.2	Confident	85 Å²	85	64 Å²	64	37%	0.37	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-44	177.6	176.4	171.3	-178.6	-177.1	0	111.9	F44 E46 Y50 S52 L61	F44-K48 HydrophobicContact CE1-CD 4.09Å; F44-K48 HydrophobicContact CZ-CB 4.42Å; F44-K48 HydrophobicContact CZ-CD 4.17Å; F44-K48 WeakPolarHBondContact O-CB 3.49Å; F44-K48 PolarHBondContact O-N 3.02Å; E46-K48 VanDerWaalsContact C-N 3.33Å; E46-K48 PolarHBondContact O-N 3.32Å; K48-Y50 VanDerWaalsContact C-N 3.28Å; K48-Y50 PolarHBondContact O-N 3.45Å; K48-S52 WeakPolarHBondContact O-CB 3.38Å; K48-S52 PolarHBondContact O-N 2.91Å; K48-S52 VanDerWaalsContact O-N 3.11Å; K48-S52 PolarHBondContact O-OG 2.87Å; K48-L61 HydrophobicContact CB-CD2 4.08Å; K48-L61 HydrophobicContact CG-CD2 3.91Å
49	S	90.8	Very high	88.4	Confident	90 Å²	90	64 Å²	64	63%	0.629	37%	0.371	S	S	*	.	H	α-helix	trans	-66.1	-30.8	-179.3	-173.7	0	0	0	0	113	D45 E46 F47	D45-S49 VanDerWaalsContact O-CB 3.32Å; D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.89Å; E46-S49 PolarHBondContact O-N 2.76Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 3.17Å
50	Y	90.5	Very high	88.5	Confident	85 Å²	85	64.4 Å²	64.4	33%	0.333	37%	0.37	S	S	.	.	H	α-helix	trans	-89.3	-42.2	-177.6	-172.3	-91.1	0	0	0	112.7	I30 R33 A34 E46 F47 K48	I30-Y50 HydrophobicContact CG2-CD1 4.35Å; I30-Y50 HydrophobicContact CG2-CE1 3.61Å; R33-Y50 HydrophobicContact CB-CE2 3.69Å; R33-Y50 PolarHBondContact NE-OH 3.43Å; A34-Y50 HydrophobicContact CB-CD1 4.05Å; A34-Y50 HydrophobicContact CB-CD2 3.68Å; A34-Y50 HydrophobicContact CB-CE2 4.28Å; A34-Y50 HydrophobicContact CB-CG 3.53Å; E46-Y50 WeakPolarHBondContact O-CB 3.43Å; E46-Y50 PolarHBondContact O-N 2.83Å; F47-Y50 PolarHBondContact O-N 3.23Å; K48-Y50 VanDerWaalsContact C-N 3.28Å; K48-Y50 PolarHBondContact O-N 3.45Å
51	F	88.9	Confident	88.8	Confident	41 Å²	41	62.6 Å²	62.6	18%	0.18	35%	0.35	C	S	.	.	H	α-helix	trans	-92.9	-4.1	-174	-68.1	-82.5	0	0	0	114	I30 L42 F47 D53 L61 L81 F85	I30-F51 HydrophobicContact CG2-CZ 3.97Å; L42-F51 HydrophobicContact CD1-CE2 4.25Å; F47-F51 HydrophobicContact CB-CD2 4.48Å; F47-F51 HydrophobicContact CD1-CB 4.49Å; F47-F51 HydrophobicContact CD1-CD2 4.08Å; F47-F51 AromaticContact CD2-CD2 3.41Å; F47-F51 HydrophobicContact CD2-CD2 3.41Å; F47-F51 VanDerWaalsContact CD2-CD2 3.41Å; F47-F51 AromaticContact CD2-CE2 3.47Å; F47-F51 HydrophobicContact CD2-CE2 3.47Å; F47-F51 VanDerWaalsContact CD2-CE2 3.47Å; F47-F51 HydrophobicContact CD2-CG 4.43Å; F47-F51 HydrophobicContact CE1-CB 4.22Å; F47-F51 HydrophobicContact CE1-CD2 4.12Å; F47-F51 HydrophobicContact CE1-CG 4.32Å; F47-F51 AromaticContact CE2-CD2 3.45Å; F47-F51 HydrophobicContact CE2-CD2 3.45Å; F47-F51 VanDerWaalsContact CE2-CD2 3.45Å; F47-F51 AromaticContact CE2-CE2 3.48Å; F47-F51 HydrophobicContact CE2-CE2 3.48Å; F47-F51 VanDerWaalsContact CE2-CE2 3.48Å; F47-F51 HydrophobicContact CE2-CG 4.13Å; F47-F51 HydrophobicContact CE2-CZ 4.15Å; F47-F51 AromaticContact CG-CD2 3.74Å; F47-F51 HydrophobicContact CG-CD2 3.74Å; F47-F51 HydrophobicContact CG-CE2 4.23Å; F47-F51 HydrophobicContact CZ-CB 4.41Å; F47-F51 AromaticContact CZ-CD2 3.81Å; F47-F51 HydrophobicContact CZ-CD2 3.81Å; F47-F51 HydrophobicContact CZ-CE2 4.24Å; F47-F51 HydrophobicContact CZ-CG 4.06Å; F47-F51 WeakPolarHBondContact O-CB 3.33Å; F47-F51 VanDerWaalsContact O-CD2 3.29Å; F47-F51 WeakPolarHBondContact O-CD2 3.3Å; F47-F51 PolarHBondContact O-N 2.94Å; F51-D53 PolarHBondContact O-N 2.84Å; F51-L61 HydrophobicContact CB-CD1 4.15Å; F51-L81 HydrophobicContact CZ-CD1 4.16Å; F51-F85 HydrophobicContact CE1-CE2 4.26Å; F51-F85 HydrophobicContact CE1-CZ 4.04Å
52	S	86.3	Confident	88.8	Confident	72 Å²	72	63.5 Å²	63.5	50%	0.503	35%	0.354	S	S	.	.			trans	-64.1	109.7	174.2	60.7	0	0	0	0	110.8	K48	K48-S52 WeakPolarHBondContact O-CB 3.38Å; K48-S52 PolarHBondContact O-N 2.91Å; K48-S52 VanDerWaalsContact O-N 3.11Å; K48-S52 PolarHBondContact O-OG 2.87Å
53	D	83.5	Confident	88.8	Confident	97 Å²	97	70 Å²	70	52%	0.519	38%	0.384	S	S	.	.			trans	-98.5	-2.7	177.5	65.3	-6.7	0	0	0	112.8	F51 V55 L56	F51-D53 PolarHBondContact O-N 2.84Å; D53-V55 PolarHBondContact O-N 2.95Å; D53-V55 WeakPolarHBondContact OD1-CA 3.44Å; D53-V55 WeakPolarHBondContact OD1-CB 3.41Å; D53-V55 PolarHBondContact OD1-N 2.83Å; D53-V55 WeakPolarHBondContact OD2-CB 3.13Å; D53-L56 PolarHBondContact OD1-N 2.86Å
54	G	78.4	Confident	88.8	Confident	72 Å²	72	70.1 Å²	70.1	74%	0.742	38%	0.382	S	S	*	.	S	Bend	trans	73.9	1.3	-174.1	0	0	0	0	0	114
55	V	81.2	Confident	88.9	Confident	47 Å²	47	68 Å²	68	29%	0.285	37%	0.373	S	S	.	.	S	Bend	trans	-96.7	-49.6	173.9	-178.7	0	0	0	0	109.6	D53 T157 K161	D53-V55 PolarHBondContact O-N 2.95Å; D53-V55 WeakPolarHBondContact OD1-CA 3.44Å; D53-V55 WeakPolarHBondContact OD1-CB 3.41Å; D53-V55 PolarHBondContact OD1-N 2.83Å; D53-V55 WeakPolarHBondContact OD2-CB 3.13Å; V55-T157 HydrophobicContact CB-CG2 4.14Å; V55-T157 HydrophobicContact CG1-CG2 3.41Å; V55-T157 VanDerWaalsContact CG1-CG2 3.41Å; V55-T157 HydrophobicContact CG2-CG2 3.58Å; V55-K161 PolarHBondContact O-NZ 2.83Å
56	L	83.7	Confident	88.9	Confident	75 Å²	75	66 Å²	66	39%	0.393	36%	0.359	S	S	.	.	S	Bend	trans	-75.2	138.3	179	-66.4	172	0	0	0	111.4	D53 E60 L61	D53-L56 PolarHBondContact OD1-N 2.86Å; L56-E60 HydrophobicContact CD2-CB 4.22Å; L56-L61 HydrophobicContact CD1-CD1 4.18Å
57	T	87.8	Confident	88.8	Confident	62 Å²	62	68.7 Å²	68.7	38%	0.38	38%	0.377	S	S	.	.			trans	-70.5	162.2	170.4	59.6	0	0	0	0	110.9	E59 E60 L61	T57-E59 PolarHBondContact O-N 3.29Å; T57-E60 WeakPolarHBondContact CB-OE2 3.39Å; T57-E60 PolarHBondContact N-OE2 2.63Å; T57-E60 PolarHBondContact O-N 3.02Å; T57-E60 WeakPolarHBondContact OG1-CB 3.34Å; T57-E60 WeakPolarHBondContact OG1-CG 3.4Å; T57-E60 PolarHBondContact OG1-N 3.03Å; T57-E60 PolarHBondContact OG1-OE2 2.91Å; T57-L61 WeakPolarHBondContact O-CB 3.48Å; T57-L61 PolarHBondContact O-N 2.78Å
58	A	87.9	Confident	88.8	Confident	40 Å²	40	68.7 Å²	68.7	33%	0.331	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-30.3	178.9	0	0	0	0	0	111.9	K62	A58-K62 WeakPolarHBondContact O-CB 3.47Å; A58-K62 PolarHBondContact O-N 2.82Å; A58-K62 VanDerWaalsContact O-N 3.12Å
59	E	89.8	Confident	88.9	Confident	141 Å²	141	64.8 Å²	64.8	66%	0.659	36%	0.36	S	S	*	.	H	α-helix	trans	-71.7	-48.3	177.2	-64.8	71	-156.9	0	0	111.5	T57 L61 K62 E63	T57-E59 PolarHBondContact O-N 3.29Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 2.92Å; E59-K62 WeakPolarHBondContact O-CB 3.34Å; E59-K62 PolarHBondContact O-N 3.08Å; E59-K62 VanDerWaalsContact O-N 3.13Å; E59-E63 PolarHBondContact O-N 3.36Å
60	E	90.6	Very high	88.8	Confident	93 Å²	93	64.1 Å²	64.1	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176	-71.9	162.4	153.2	0	0	111.4	L56 T57 K62 E63 L64	L56-E60 HydrophobicContact CD2-CB 4.22Å; T57-E60 WeakPolarHBondContact CB-OE2 3.39Å; T57-E60 PolarHBondContact N-OE2 2.63Å; T57-E60 PolarHBondContact O-N 3.02Å; T57-E60 WeakPolarHBondContact OG1-CB 3.34Å; T57-E60 WeakPolarHBondContact OG1-CG 3.4Å; T57-E60 PolarHBondContact OG1-N 3.03Å; T57-E60 PolarHBondContact OG1-OE2 2.91Å; E60-K62 VanDerWaalsContact C-N 3.28Å; E60-K62 PolarHBondContact O-N 3.13Å; E60-E63 PolarHBondContact O-N 3.39Å; E60-L64 PolarHBondContact O-N 3.12Å
61	L	91.8	Very high	88.6	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-67.6	-31	177.1	-164.6	65.8	0	0	0	112.2	F47 K48 F51 L56 T57 E59 L64 F65	F47-L61 HydrophobicContact CD1-CD1 4.42Å; F47-L61 HydrophobicContact CD1-CG 4.32Å; F47-L61 HydrophobicContact CE1-CD1 3.8Å; F47-L61 HydrophobicContact CE1-CG 4.09Å; K48-L61 HydrophobicContact CB-CD2 4.08Å; K48-L61 HydrophobicContact CG-CD2 3.91Å; F51-L61 HydrophobicContact CB-CD1 4.15Å; L56-L61 HydrophobicContact CD1-CD1 4.18Å; T57-L61 WeakPolarHBondContact O-CB 3.48Å; T57-L61 PolarHBondContact O-N 2.78Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 2.92Å; L61-L64 HydrophobicContact CD1-CD2 4.24Å; L61-F65 PolarHBondContact O-N 2.75Å
62	K	91	Very high	88.5	Confident	104 Å²	104	69.9 Å²	69.9	45%	0.452	39%	0.387	S	S	.	.	H	α-helix	trans	-73	-37.8	174	-170.3	171.5	-178	176.1	0	112.4	F44 A58 E59 E60 L64 F65 H66	F44-K62 HydrophobicContact CD2-CG 4.44Å; F44-K62 HydrophobicContact CE2-CB 3.69Å; F44-K62 HydrophobicContact CE2-CG 3.91Å; F44-K62 HydrophobicContact CZ-CB 3.74Å; F44-K62 HydrophobicContact CZ-CD 4.33Å; F44-K62 HydrophobicContact CZ-CG 4.05Å; A58-K62 WeakPolarHBondContact O-CB 3.47Å; A58-K62 PolarHBondContact O-N 2.82Å; A58-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact O-CB 3.34Å; E59-K62 PolarHBondContact O-N 3.08Å; E59-K62 VanDerWaalsContact O-N 3.13Å; E60-K62 VanDerWaalsContact C-N 3.28Å; E60-K62 PolarHBondContact O-N 3.13Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-F65 PolarHBondContact O-N 3.04Å; K62-H66 WeakPolarHBondContact CE-NE2 3.45Å; K62-H66 PolarHBondContact O-CD2 3.06Å; K62-H66 PolarHBondContact O-N 2.79Å
63	E	92.3	Very high	88.5	Confident	137 Å²	137	69.3 Å²	69.3	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-63.6	-41.5	171.9	-172	173.9	-173.2	0	0	111.1	E59 E60 H66 T67	E59-E63 PolarHBondContact O-N 3.36Å; E60-E63 PolarHBondContact O-N 3.39Å; E63-H66 PolarHBondContact O-N 3.06Å; E63-T67 WeakPolarHBondContact O-CB 3.37Å; E63-T67 PolarHBondContact O-N 3.13Å; E63-T67 PolarHBondContact O-OG1 3.48Å
64	L	92.4	Very high	88.7	Confident	34 Å²	34	70.1 Å²	70.1	18%	0.178	39%	0.385	C	S	.	.	H	α-helix	trans	-59.3	-47	173	-179.9	61.5	0	0	0	111.6	F47 E60 L61 K62 H66 T67 I68 Y84	F47-L64 HydrophobicContact CE1-CD2 4.32Å; F47-L64 HydrophobicContact CE1-CG 4.45Å; F47-L64 HydrophobicContact CZ-CD2 4.07Å; F47-L64 HydrophobicContact CZ-CG 4.15Å; E60-L64 PolarHBondContact O-N 3.12Å; L61-L64 HydrophobicContact CD1-CD2 4.24Å; K62-L64 VanDerWaalsContact C-N 3.33Å; L64-H66 PolarHBondContact O-N 3.49Å; L64-T67 WeakPolarHBondContact O-CB 3.45Å; L64-T67 PolarHBondContact O-N 2.93Å; L64-T67 VanDerWaalsContact O-N 3.08Å; L64-I68 HydrophobicContact CD1-CD1 3.96Å; L64-I68 HydrophobicContact CD1-CG1 4.28Å; L64-I68 HydrophobicContact CG-CD1 3.91Å; L64-I68 WeakPolarHBondContact O-CG1 3.18Å; L64-I68 PolarHBondContact O-N 2.84Å; L64-Y84 HydrophobicContact CD1-CE1 3.71Å; L64-Y84 HydrophobicContact CD1-CE2 4.24Å; L64-Y84 VanDerWaalsContact CD1-CZ 3.44Å; L64-Y84 WeakPolarHBondContact CD1-OH 3.42Å
65	F	92.3	Very high	89.3	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-56.4	-48.8	177.3	-178.7	-93.8	0	0	0	112.1	F44 F47 L61 K62 T67 I68 D69 V76	F44-F65 HydrophobicContact CB-CD1 4.42Å; F44-F65 HydrophobicContact CB-CE1 4.2Å; F44-F65 HydrophobicContact CB-CE2 4.28Å; F44-F65 HydrophobicContact CB-CZ 4.11Å; F44-F65 HydrophobicContact CD2-CB 3.88Å; F44-F65 HydrophobicContact CD2-CD1 4.1Å; F44-F65 HydrophobicContact CD2-CD2 4.09Å; F44-F65 AromaticContact CD2-CG 3.76Å; F44-F65 HydrophobicContact CD2-CG 3.76Å; F44-F65 HydrophobicContact CE2-CB 4.23Å; F47-F65 HydrophobicContact CB-CD2 3.71Å; F47-F65 HydrophobicContact CB-CE2 3.93Å; F47-F65 HydrophobicContact CD1-CB 4.2Å; F47-F65 AromaticContact CD1-CD2 3.88Å; F47-F65 HydrophobicContact CD1-CD2 3.88Å; F47-F65 AromaticContact CD2-CD2 4Å; F47-F65 HydrophobicContact CD2-CD2 4Å; F47-F65 HydrophobicContact CE1-CB 4.27Å; F47-F65 AromaticContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CE2 4.24Å; L61-F65 PolarHBondContact O-N 2.75Å; K62-F65 PolarHBondContact O-N 3.04Å; F65-T67 VanDerWaalsContact C-N 3.26Å; F65-T67 PolarHBondContact O-N 3.19Å; F65-I68 PolarHBondContact O-N 2.92Å; F65-D69 WeakPolarHBondContact O-CB 3.45Å; F65-D69 PolarHBondContact O-N 2.8Å; F65-V76 HydrophobicContact CD2-CG2 3.79Å; F65-V76 HydrophobicContact CE2-CB 4.3Å; F65-V76 HydrophobicContact CE2-CG2 3.59Å; F65-V76 HydrophobicContact CG-CG2 4.46Å; F65-V76 HydrophobicContact CZ-CG2 4.11Å
66	H	92.3	Very high	89.7	Confident	81 Å²	81	66.6 Å²	66.6	38%	0.375	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-24.5	177.1	-70.6	-51.5	0	0	0	113.7	K62 E63 L64	K62-H66 WeakPolarHBondContact CE-NE2 3.45Å; K62-H66 PolarHBondContact O-CD2 3.06Å; K62-H66 PolarHBondContact O-N 2.79Å; E63-H66 PolarHBondContact O-N 3.06Å; L64-H66 PolarHBondContact O-N 3.49Å
67	T	91.8	Very high	90	Very high	78 Å²	78	64.7 Å²	64.7	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-72.3	-34.8	174.4	-58.1	0	0	0	0	111.3	E63 L64 F65 Y84	E63-T67 WeakPolarHBondContact O-CB 3.37Å; E63-T67 PolarHBondContact O-N 3.13Å; E63-T67 PolarHBondContact O-OG1 3.48Å; L64-T67 WeakPolarHBondContact O-CB 3.45Å; L64-T67 PolarHBondContact O-N 2.93Å; L64-T67 VanDerWaalsContact O-N 3.08Å; F65-T67 VanDerWaalsContact C-N 3.26Å; F65-T67 PolarHBondContact O-N 3.19Å; T67-Y84 HydrophobicContact CG2-CD2 4.38Å; T67-Y84 HydrophobicContact CG2-CE2 3.89Å
68	I	91.3	Very high	89.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-79.6	-37.8	178.7	-60.1	166.6	0	0	0	111.1	F47 L64 F65 T70 V76 E80 L81 Y84	F47-I68 HydrophobicContact CE2-CD1 3.8Å; F47-I68 HydrophobicContact CZ-CD1 3.71Å; L64-I68 HydrophobicContact CD1-CD1 3.96Å; L64-I68 HydrophobicContact CD1-CG1 4.28Å; L64-I68 HydrophobicContact CG-CD1 3.91Å; L64-I68 WeakPolarHBondContact O-CG1 3.18Å; L64-I68 PolarHBondContact O-N 2.84Å; F65-I68 PolarHBondContact O-N 2.92Å; I68-T70 PolarHBondContact O-N 3.31Å; I68-V76 HydrophobicContact CB-CG2 4.16Å; I68-V76 HydrophobicContact CG2-CB 4.41Å; I68-V76 HydrophobicContact CG2-CG1 3.51Å; I68-V76 HydrophobicContact CG2-CG2 3.97Å; I68-E80 HydrophobicContact CG2-CB 4.22Å; I68-E80 WeakPolarHBondContact O-CB 3.35Å; I68-L81 HydrophobicContact CG2-CD1 4.4Å; I68-Y84 HydrophobicContact CD1-CD1 3.94Å; I68-Y84 HydrophobicContact CD1-CE1 4.23Å; I68-Y84 HydrophobicContact CD1-CG 4.29Å; I68-Y84 HydrophobicContact CG1-CD1 3.76Å; I68-Y84 HydrophobicContact CG1-CD2 3.87Å; I68-Y84 HydrophobicContact CG1-CE1 4.2Å; I68-Y84 HydrophobicContact CG1-CE2 4.3Å; I68-Y84 HydrophobicContact CG1-CG 3.59Å
69	D	91.8	Very high	89.9	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.011	34%	0.337	C	S	.	.			trans	-70.9	67.7	176.1	-179.7	20.3	0	0	0	111.7	F65 H71 N72 T73 D74 V76	F65-D69 WeakPolarHBondContact O-CB 3.45Å; F65-D69 PolarHBondContact O-N 2.8Å; D69-H71 PolarHBondContact O-N 2.94Å; D69-N72 PolarHBondContact O-N 2.88Å; D69-N72 VanDerWaalsContact O-N 3.1Å; D69-N72 VanDerWaalsContact OD1-CA 3.32Å; D69-N72 WeakPolarHBondContact OD1-CA 3.3Å; D69-N72 PolarHBondContact OD1-N 2.85Å; D69-N72 WeakPolarHBondContact OD2-CA 3.39Å; D69-T73 PolarHBondContact OD1-N 3.17Å; D69-T73 PolarHBondContact OD2-N 3.32Å; D69-T73 VanDerWaalsContact OD2-N 3.12Å; D69-D74 WeakPolarHBondContact OD2-CA 3.44Å; D69-D74 PolarHBondContact OD2-N 3.04Å; D69-V76 HydrophobicContact CB-CG2 4.22Å
70	T	88.8	Confident	89.9	Confident	77 Å²	77	59.1 Å²	59.1	47%	0.472	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.9	-179.8	62.3	0	0	0	0	112.4	I68 N72 E80	I68-T70 PolarHBondContact O-N 3.31Å; T70-N72 VanDerWaalsContact C-N 3.3Å; T70-N72 PolarHBondContact O-ND2 3.32Å; T70-E80 PolarHBondContact N-OE1 3.37Å; T70-E80 VanDerWaalsContact N-OE1 3.13Å; T70-E80 PolarHBondContact OG1-OE1 2.98Å
71	H	87.7	Confident	89.8	Confident	117 Å²	117	54.7 Å²	54.7	54%	0.542	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6	177.6	-59.2	115.7	0	0	0	113.3	D69 T73 E80	D69-H71 PolarHBondContact O-N 2.94Å; H71-T73 VanDerWaalsContact C-N 3.3Å; H71-T73 HydrophobicContact CB-CG2 3.76Å; H71-T73 PolarHBondContact O-N 3.15Å; H71-E80 VanDerWaalsContact CB-OE1 3.3Å; H71-E80 WeakPolarHBondContact CB-OE1 3.46Å; H71-E80 IonicContact CE1-OE1 3.55Å; H71-E80 IonicContact CG-OE1 3.56Å; H71-E80 VanDerWaalsContact CG-OE1 3.27Å; H71-E80 PolarHBondContact N-OE1 3.01Å; H71-E80 VanDerWaalsContact ND1-CD 3.3Å; H71-E80 WeakPolarHBondContact ND1-CG 3.37Å; H71-E80 IonicContact ND1-OE1 2.75Å; H71-E80 PolarHBondContact ND1-OE1 3.39Å
72	N	85.8	Confident	89.6	Confident	129 Å²	129	54.9 Å²	54.9	69%	0.69	29%	0.287	S	S	*	.			trans	52.3	45.4	-178	-60.6	-88.5	0	0	0	112.5	D69 T70	D69-N72 PolarHBondContact O-N 2.88Å; D69-N72 VanDerWaalsContact O-N 3.1Å; D69-N72 VanDerWaalsContact OD1-CA 3.32Å; D69-N72 WeakPolarHBondContact OD1-CA 3.3Å; D69-N72 PolarHBondContact OD1-N 2.85Å; D69-N72 WeakPolarHBondContact OD2-CA 3.39Å; T70-N72 VanDerWaalsContact C-N 3.3Å; T70-N72 PolarHBondContact O-ND2 3.32Å
73	T	86.4	Confident	89.5	Confident	60 Å²	60	55.3 Å²	55.3	37%	0.368	29%	0.291	S	S	.	.	S	Bend	trans	-94.2	4.5	179.9	70.2	0	0	0	0	113.5	D69 H71 N75	D69-T73 PolarHBondContact OD1-N 3.17Å; D69-T73 PolarHBondContact OD2-N 3.32Å; D69-T73 VanDerWaalsContact OD2-N 3.12Å; H71-T73 VanDerWaalsContact C-N 3.3Å; H71-T73 HydrophobicContact CB-CG2 3.76Å; H71-T73 PolarHBondContact O-N 3.15Å; T73-N75 PolarHBondContact O-N 3.16Å; T73-N75 VanDerWaalsContact O-N 3.17Å; T73-N75 PolarHBondContact O-ND2 3.03Å; T73-N75 PolarHBondContact OG1-O 3.23Å
74	D	88.4	Confident	89.4	Confident	114 Å²	114	51.3 Å²	51.3	61%	0.61	27%	0.27	S	S	*	.	S	Bend	trans	57	19.5	-170.7	-70.8	-42.9	0	0	0	112.8	D69	D69-D74 WeakPolarHBondContact OD2-CA 3.44Å; D69-D74 PolarHBondContact OD2-N 3.04Å
75	N	90.1	Very high	89.2	Confident	46 Å²	46	52 Å²	52	25%	0.246	27%	0.272	C	S	.	.	S	Bend	trans	-145	148.1	177.3	-61.2	-74.6	0	0	0	108.9	K41 L42 T73	K41-N75 HydrophobicContact CB-CB 4.05Å; K41-N75 HydrophobicContact CD-CB 4.18Å; L42-N75 VanDerWaalsContact O-CA 3.32Å; L42-N75 WeakPolarHBondContact O-CA 3.33Å; T73-N75 PolarHBondContact O-N 3.16Å; T73-N75 VanDerWaalsContact O-N 3.17Å; T73-N75 PolarHBondContact O-ND2 3.03Å; T73-N75 PolarHBondContact OG1-O 3.23Å
76	V	90.8	Very high	89	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-105.1	121.8	176.4	171.1	0	0	0	0	109.8	L42 F65 I68 D69 E80 L81	L42-V76 HydrophobicContact CB-CB 4.42Å; L42-V76 PolarHBondContact N-O 2.98Å; L42-V76 PolarHBondContact O-N 3.49Å; F65-V76 HydrophobicContact CD2-CG2 3.79Å; F65-V76 HydrophobicContact CE2-CB 4.3Å; F65-V76 HydrophobicContact CE2-CG2 3.59Å; F65-V76 HydrophobicContact CG-CG2 4.46Å; F65-V76 HydrophobicContact CZ-CG2 4.11Å; I68-V76 HydrophobicContact CB-CG2 4.16Å; I68-V76 HydrophobicContact CG2-CB 4.41Å; I68-V76 HydrophobicContact CG2-CG1 3.51Å; I68-V76 HydrophobicContact CG2-CG2 3.97Å; D69-V76 HydrophobicContact CB-CG2 4.22Å; V76-E80 WeakPolarHBondContact CA-OE2 3.37Å; V76-E80 HydrophobicContact CG1-CB 4.4Å; V76-L81 HydrophobicContact CG1-CB 4.06Å; V76-L81 HydrophobicContact CG1-CD1 3.92Å
77	D	89.4	Confident	88.8	Confident	35 Å²	35	56.4 Å²	56.4	19%	0.187	30%	0.298	C	S	.	.			trans	-94.1	179.8	175	71.3	38	0	0	0	113.6	K41 D79 E80 L81	K41-D77 HydrophobicContact CG-CB 4.43Å; D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.34Å; D77-D79 PolarHBondContact OD1-N 2.84Å; D77-E80 PolarHBondContact N-OE2 3.48Å; D77-E80 VanDerWaalsContact N-OE2 3.12Å; D77-E80 WeakPolarHBondContact OD1-CG 3.35Å; D77-E80 PolarHBondContact OD1-N 3.37Å; D77-L81 WeakPolarHBondContact O-CB 3.35Å; D77-L81 PolarHBondContact O-N 3.35Å; D77-L81 VanDerWaalsContact O-N 3.13Å
78	T	85.6	Confident	88.6	Confident	40 Å²	40	58 Å²	58	25%	0.245	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-38.8	-178.3	-49.3	0	0	0	0	112.7	I28 L31 C82	I28-T78 HydrophobicContact CG1-CG2 4.01Å; L31-T78 HydrophobicContact CD1-CG2 3.86Å; L31-T78 WeakPolarHBondContact CD1-OG1 3.43Å; T78-C82 VanDerWaalsContact O-CB 3.3Å; T78-C82 WeakPolarHBondContact O-CB 3.41Å; T78-C82 PolarHBondContact O-N 3.32Å; T78-C82 PolarHBondContact O-SG 2.94Å
79	D	87.1	Confident	88.3	Confident	83 Å²	83	59 Å²	59	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-74.3	-42.4	-173.4	-66.9	-29.6	0	0	0	109.9	D77 C82 E83	D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.34Å; D77-D79 PolarHBondContact OD1-N 2.84Å; D79-C82 PolarHBondContact O-N 2.94Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.32Å
80	E	90.6	Very high	88.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-46.9	174.1	-72.2	-178.7	142.1	0	0	112.6	I68 T70 H71 V76 D77 C82 E83 Y84	I68-E80 HydrophobicContact CG2-CB 4.22Å; I68-E80 WeakPolarHBondContact O-CB 3.35Å; T70-E80 PolarHBondContact N-OE1 3.37Å; T70-E80 VanDerWaalsContact N-OE1 3.13Å; T70-E80 PolarHBondContact OG1-OE1 2.98Å; H71-E80 VanDerWaalsContact CB-OE1 3.3Å; H71-E80 WeakPolarHBondContact CB-OE1 3.46Å; H71-E80 IonicContact CE1-OE1 3.55Å; H71-E80 IonicContact CG-OE1 3.56Å; H71-E80 VanDerWaalsContact CG-OE1 3.27Å; H71-E80 PolarHBondContact N-OE1 3.01Å; H71-E80 VanDerWaalsContact ND1-CD 3.3Å; H71-E80 WeakPolarHBondContact ND1-CG 3.37Å; H71-E80 IonicContact ND1-OE1 2.75Å; H71-E80 PolarHBondContact ND1-OE1 3.39Å; V76-E80 WeakPolarHBondContact CA-OE2 3.37Å; V76-E80 HydrophobicContact CG1-CB 4.4Å; D77-E80 PolarHBondContact N-OE2 3.48Å; D77-E80 VanDerWaalsContact N-OE2 3.12Å; D77-E80 WeakPolarHBondContact OD1-CG 3.35Å; D77-E80 PolarHBondContact OD1-N 3.37Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.34Å; E80-E83 PolarHBondContact O-N 2.85Å; E80-Y84 PolarHBondContact O-N 3.46Å
81	L	87.8	Confident	88.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-45.7	177.6	-163.5	78.1	0	0	0	110.5	F27 I30 L31 F47 F51 I68 V76 D77 F85	F27-L81 HydrophobicContact CB-CD2 4.46Å; F27-L81 HydrophobicContact CD1-CD2 4.13Å; F27-L81 HydrophobicContact CD1-CG 4.4Å; I30-L81 HydrophobicContact CG2-CD2 4.21Å; L31-L81 HydrophobicContact CD1-CB 4.35Å; L31-L81 HydrophobicContact CD1-CD2 3.69Å; L31-L81 HydrophobicContact CG-CD2 4.09Å; F47-L81 HydrophobicContact CE2-CD1 4.37Å; F51-L81 HydrophobicContact CZ-CD1 4.16Å; I68-L81 HydrophobicContact CG2-CD1 4.4Å; V76-L81 HydrophobicContact CG1-CB 4.06Å; V76-L81 HydrophobicContact CG1-CD1 3.92Å; D77-L81 WeakPolarHBondContact O-CB 3.35Å; D77-L81 PolarHBondContact O-N 3.35Å; D77-L81 VanDerWaalsContact O-N 3.13Å; L81-F85 HydrophobicContact CD1-CD2 4.09Å; L81-F85 HydrophobicContact CD1-CE2 3.68Å; L81-F85 HydrophobicContact CG-CD2 3.94Å; L81-F85 HydrophobicContact CG-CE2 4.01Å; L81-F85 VanDerWaalsContact O-CD2 3.3Å; L81-F85 WeakPolarHBondContact O-CD2 3.16Å; L81-F85 PolarHBondContact O-N 3.46Å
82	C	87.9	Confident	88.2	Confident	9 Å²	9	67.2 Å²	67.2	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-44.9	177.8	-72.9	0	0	0	0	111.8	F27 T78 D79 E80 Y84 S86	F27-C82 VanDerWaalsContact CB-SG 3.52Å; T78-C82 VanDerWaalsContact O-CB 3.3Å; T78-C82 WeakPolarHBondContact O-CB 3.41Å; T78-C82 PolarHBondContact O-N 3.32Å; T78-C82 PolarHBondContact O-SG 2.94Å; D79-C82 PolarHBondContact O-N 2.94Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.34Å; C82-Y84 PolarHBondContact O-N 3.06Å; C82-S86 WeakPolarHBondContact O-CB 3.45Å; C82-S86 PolarHBondContact O-N 3.08Å; C82-S86 PolarHBondContact O-OG 3.14Å
83	E	88.9	Confident	88.4	Confident	114 Å²	114	65.5 Å²	65.5	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-45.8	-178.8	-175.5	166.2	-166.9	0	0	111.2	D79 E80 S86 Q87	D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.32Å; E80-E83 PolarHBondContact O-N 2.85Å; E83-S86 PolarHBondContact O-OG 3.02Å; E83-Q87 PolarHBondContact O-NE2 3.21Å
84	Y	89.9	Confident	88.5	Confident	53 Å²	53	67.9 Å²	67.9	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-57.2	176.5	-178	-98	0	0	0	111.7	L64 T67 I68 E80 C82 S86 Q87 H88	L64-Y84 HydrophobicContact CD1-CE1 3.71Å; L64-Y84 HydrophobicContact CD1-CE2 4.24Å; L64-Y84 VanDerWaalsContact CD1-CZ 3.44Å; L64-Y84 WeakPolarHBondContact CD1-OH 3.42Å; T67-Y84 HydrophobicContact CG2-CD2 4.38Å; T67-Y84 HydrophobicContact CG2-CE2 3.89Å; I68-Y84 HydrophobicContact CD1-CD1 3.94Å; I68-Y84 HydrophobicContact CD1-CE1 4.23Å; I68-Y84 HydrophobicContact CD1-CG 4.29Å; I68-Y84 HydrophobicContact CG1-CD1 3.76Å; I68-Y84 HydrophobicContact CG1-CD2 3.87Å; I68-Y84 HydrophobicContact CG1-CE1 4.2Å; I68-Y84 HydrophobicContact CG1-CE2 4.3Å; I68-Y84 HydrophobicContact CG1-CG 3.59Å; E80-Y84 PolarHBondContact O-N 3.46Å; C82-Y84 PolarHBondContact O-N 3.06Å; Y84-S86 VanDerWaalsContact C-N 3.3Å; Y84-S86 PolarHBondContact O-N 3.17Å; Y84-Q87 PolarHBondContact O-N 3.23Å; Y84-Q87 VanDerWaalsContact O-N 3.12Å; Y84-H88 AromaticContact CD1-CD2 3.89Å; Y84-H88 AromaticContact CD2-CD2 4Å; Y84-H88 AromaticContact CE1-CD2 3.56Å; Y84-H88 AromaticContact CE2-CD2 3.68Å; Y84-H88 AromaticContact CE2-NE2 3.46Å; Y84-H88 WeakPolarHBondContact CE2-NE2 3.32Å; Y84-H88 AromaticContact CZ-CD2 3.44Å; Y84-H88 VanDerWaalsContact CZ-CD2 3.44Å; Y84-H88 AromaticContact CZ-NE2 3.53Å; Y84-H88 PolarHBondContact O-CD2 3.42Å
85	F	88	Confident	88.7	Confident	47 Å²	47	65.8 Å²	65.8	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-28.7	-175.1	-79	-73.9	0	0	0	113.1	F27 F51 L81 Q87 H88 L89	F27-F85 HydrophobicContact CD1-CB 4.38Å; F27-F85 HydrophobicContact CD1-CD2 4.09Å; F27-F85 HydrophobicContact CD1-CG 4.42Å; F27-F85 HydrophobicContact CE1-CB 3.44Å; F27-F85 VanDerWaalsContact CE1-CB 3.44Å; F27-F85 HydrophobicContact CE1-CD1 4.25Å; F27-F85 AromaticContact CE1-CD2 3.55Å; F27-F85 HydrophobicContact CE1-CD2 3.55Å; F27-F85 HydrophobicContact CE1-CE2 4.37Å; F27-F85 AromaticContact CE1-CG 3.48Å; F27-F85 HydrophobicContact CE1-CG 3.48Å; F27-F85 VanDerWaalsContact CE1-CG 3.48Å; F27-F85 HydrophobicContact CE2-CB 4.07Å; F27-F85 HydrophobicContact CZ-CB 3.27Å; F27-F85 HydrophobicContact CZ-CD2 4.3Å; F27-F85 AromaticContact CZ-CG 3.82Å; F27-F85 HydrophobicContact CZ-CG 3.82Å; F51-F85 HydrophobicContact CE1-CE2 4.26Å; F51-F85 HydrophobicContact CE1-CZ 4.04Å; L81-F85 HydrophobicContact CD1-CD2 4.09Å; L81-F85 HydrophobicContact CD1-CE2 3.68Å; L81-F85 HydrophobicContact CG-CD2 3.94Å; L81-F85 HydrophobicContact CG-CE2 4.01Å; L81-F85 VanDerWaalsContact O-CD2 3.3Å; L81-F85 WeakPolarHBondContact O-CD2 3.16Å; L81-F85 PolarHBondContact O-N 3.46Å; F85-Q87 PolarHBondContact O-N 3.07Å; F85-H88 CarbonylContact O-C 3.53Å; F85-H88 PolarHBondContact O-N 3.17Å; F85-L89 VanDerWaalsContact O-CG 3.28Å; F85-L89 WeakPolarHBondContact O-CG 3.28Å; F85-L89 PolarHBondContact O-N 3.14Å
86	S	87.8	Confident	88.8	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-56.5	-25.1	174.8	75	0	0	0	0	113.3	C82 E83 Y84	C82-S86 WeakPolarHBondContact O-CB 3.45Å; C82-S86 PolarHBondContact O-N 3.08Å; C82-S86 PolarHBondContact O-OG 3.14Å; E83-S86 PolarHBondContact O-OG 3.02Å; Y84-S86 VanDerWaalsContact C-N 3.3Å; Y84-S86 PolarHBondContact O-N 3.17Å
87	Q	88.3	Confident	88.8	Confident	135 Å²	135	65.3 Å²	65.3	63%	0.631	34%	0.335	S	S	*	.	H	α-helix	trans	-87.3	-15.4	176.9	-59.1	175.6	39.5	0	0	112.9	E83 Y84 F85	E83-Q87 PolarHBondContact O-NE2 3.21Å; Y84-Q87 PolarHBondContact O-N 3.23Å; Y84-Q87 VanDerWaalsContact O-N 3.12Å; F85-Q87 PolarHBondContact O-N 3.07Å
88	H	87.8	Confident	88.9	Confident	110 Å²	110	66.3 Å²	66.3	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-118.7	1	-169.7	-65.6	-59.6	0	0	0	114.8	Y84 F85	Y84-H88 AromaticContact CD1-CD2 3.89Å; Y84-H88 AromaticContact CD2-CD2 4Å; Y84-H88 AromaticContact CE1-CD2 3.56Å; Y84-H88 AromaticContact CE2-CD2 3.68Å; Y84-H88 AromaticContact CE2-NE2 3.46Å; Y84-H88 WeakPolarHBondContact CE2-NE2 3.32Å; Y84-H88 AromaticContact CZ-CD2 3.44Å; Y84-H88 VanDerWaalsContact CZ-CD2 3.44Å; Y84-H88 AromaticContact CZ-NE2 3.53Å; Y84-H88 PolarHBondContact O-CD2 3.42Å; F85-H88 CarbonylContact O-C 3.53Å; F85-H88 PolarHBondContact O-N 3.17Å
89	L	85.4	Confident	89.2	Confident	22 Å²	22	67.8 Å²	67.8	12%	0.115	35%	0.354	C	S	.	.			trans	-70.1	-34.2	-178.1	-80.9	167.3	0	0	0	114.6	M24 F27 F85 E91 Y92 E93 L96	M24-L89 HydrophobicContact CE-CD1 3.09Å; M24-L89 HydrophobicContact SD-CD1 3.87Å; F27-L89 HydrophobicContact CE2-CD1 4.19Å; F27-L89 HydrophobicContact CZ-CD1 4.36Å; F27-L89 HydrophobicContact CZ-CD2 4.19Å; F85-L89 VanDerWaalsContact O-CG 3.28Å; F85-L89 WeakPolarHBondContact O-CG 3.28Å; F85-L89 PolarHBondContact O-N 3.14Å; L89-E91 PolarHBondContact O-N 3.33Å; L89-Y92 WeakPolarHBondContact O-CB 3.3Å; L89-Y92 PolarHBondContact O-N 2.92Å; L89-Y92 VanDerWaalsContact O-N 3.1Å; L89-E93 HydrophobicContact CB-CB 4.2Å; L89-L96 HydrophobicContact CD1-CD1 4.27Å; L89-L96 HydrophobicContact CD2-CD1 3.43Å; L89-L96 VanDerWaalsContact CD2-CD1 3.43Å; L89-L96 HydrophobicContact CG-CD1 4.49Å
90	G	88.3	Confident	89.4	Confident	55 Å²	55	65.8 Å²	65.8	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-132.2	-175.7	0	0	0	0	0	112.4	Y92 E93	G90-Y92 PolarHBondContact O-N 3.26Å; G90-Y92 VanDerWaalsContact O-N 3.13Å; G90-E93 WeakPolarHBondContact O-CB 3.35Å; G90-E93 PolarHBondContact O-N 3.44Å; G90-E93 VanDerWaalsContact O-N 3.12Å
91	E	88.6	Confident	89.5	Confident	154 Å²	154	70.9 Å²	70.9	72%	0.72	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.9	-179.7	-62.1	-59.4	147.1	0	0	113.9	L89 E93 N94	L89-E91 PolarHBondContact O-N 3.33Å; E91-E93 PolarHBondContact O-N 3.37Å; E91-N94 PolarHBondContact O-N 2.64Å
92	Y	89.4	Confident	89.7	Confident	159 Å²	159	74.2 Å²	74.2	62%	0.624	38%	0.384	S	S	*	.	H	α-helix	trans	-72.3	-14.5	177.9	-69.5	-85.2	0	0	0	113	L89 G90 N94 V95 L96	L89-Y92 WeakPolarHBondContact O-CB 3.3Å; L89-Y92 PolarHBondContact O-N 2.92Å; L89-Y92 VanDerWaalsContact O-N 3.1Å; G90-Y92 PolarHBondContact O-N 3.26Å; G90-Y92 VanDerWaalsContact O-N 3.13Å; Y92-N94 VanDerWaalsContact C-N 3.31Å; Y92-N94 PolarHBondContact O-N 3.09Å; Y92-V95 HydrophobicContact CD1-CB 4.46Å; Y92-V95 HydrophobicContact CD1-CG2 4.45Å; Y92-V95 PolarHBondContact O-N 3.47Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 WeakPolarHBondContact O-CG 3.47Å; Y92-L96 PolarHBondContact O-N 3.15Å
93	E	89.6	Confident	89.9	Confident	93 Å²	93	78 Å²	78	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-56.2	-48.3	172.4	-175.6	-178.1	178.9	0	0	110.7	L89 G90 E91 V95 L96 A97	L89-E93 HydrophobicContact CB-CB 4.2Å; G90-E93 WeakPolarHBondContact O-CB 3.35Å; G90-E93 PolarHBondContact O-N 3.44Å; G90-E93 VanDerWaalsContact O-N 3.12Å; E91-E93 PolarHBondContact O-N 3.37Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 3.08Å; E93-L96 PolarHBondContact O-N 3.42Å; E93-A97 VanDerWaalsContact O-CB 3.25Å; E93-A97 WeakPolarHBondContact O-CB 3.44Å; E93-A97 PolarHBondContact O-N 3.08Å
94	N	89.6	Confident	90.1	Very high	110 Å²	110	78.2 Å²	78.2	59%	0.588	41%	0.406	S	S	*	.	H	α-helix	trans	-65.1	-36.9	178.2	-68.6	-45.4	0	0	0	112.1	E91 Y92 A98	E91-N94 PolarHBondContact O-N 2.64Å; Y92-N94 VanDerWaalsContact C-N 3.31Å; Y92-N94 PolarHBondContact O-N 3.09Å; N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.06Å
95	V	92.1	Very high	90.3	Very high	70 Å²	70	78.8 Å²	78.8	42%	0.424	42%	0.418	S	S	.	.	H	α-helix	trans	-65.3	-50.3	178.5	178	0	0	0	0	110.5	Y92 E93 A98 L99	Y92-V95 HydrophobicContact CD1-CB 4.46Å; Y92-V95 HydrophobicContact CD1-CG2 4.45Å; Y92-V95 PolarHBondContact O-N 3.47Å; E93-V95 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 3.08Å; V95-A98 PolarHBondContact O-N 3.29Å; V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 WeakPolarHBondContact O-CG 3.41Å; V95-L99 PolarHBondContact O-N 2.96Å
96	L	91.2	Very high	90.6	Very high	25 Å²	25	78.3 Å²	78.3	13%	0.131	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-41.6	179.2	-66.9	177.2	0	0	0	111.5	I26 L89 Y92 E93 A98 L99 E100	I26-L96 HydrophobicContact CD1-CD2 3.64Å; I26-L96 HydrophobicContact CG2-CD1 4.01Å; I26-L96 HydrophobicContact CG2-CD2 4.15Å; L89-L96 HydrophobicContact CD1-CD1 4.27Å; L89-L96 HydrophobicContact CD2-CD1 3.43Å; L89-L96 VanDerWaalsContact CD2-CD1 3.43Å; L89-L96 HydrophobicContact CG-CD1 4.49Å; Y92-L96 WeakPolarHBondContact O-CB 3.48Å; Y92-L96 WeakPolarHBondContact O-CG 3.47Å; Y92-L96 PolarHBondContact O-N 3.15Å; E93-L96 PolarHBondContact O-N 3.42Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.48Å; L96-L99 HydrophobicContact CD2-CD1 4.36Å; L96-L99 PolarHBondContact O-N 2.99Å; L96-E100 PolarHBondContact O-N 3.49Å
97	A	90.8	Very high	90.9	Very high	12 Å²	12	80 Å²	80	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-59.9	-40	174.5	0	0	0	0	0	112.6	K22 E93 E101	K22-A97 HydrophobicContact CB-CB 4.35Å; K22-A97 HydrophobicContact CD-CB 3.91Å; K22-A97 VanDerWaalsContact CE-O 3.29Å; K22-A97 WeakPolarHBondContact CE-O 3.49Å; K22-A97 HydrophobicContact CG-CB 3.74Å; E93-A97 VanDerWaalsContact O-CB 3.25Å; E93-A97 WeakPolarHBondContact O-CB 3.44Å; E93-A97 PolarHBondContact O-N 3.08Å; A97-E101 PolarHBondContact O-N 3.45Å
98	A	92.4	Very high	91.2	Very high	56 Å²	56	81.1 Å²	81.1	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-68.8	-38.5	175.6	0	0	0	0	0	112.1	N94 V95 L96 E101 L102	N94-A98 WeakPolarHBondContact O-CB 3.36Å; N94-A98 PolarHBondContact O-N 3.06Å; V95-A98 PolarHBondContact O-N 3.29Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 3.48Å; A98-E101 PolarHBondContact O-N 3.01Å; A98-L102 VanDerWaalsContact O-CB 3.31Å; A98-L102 WeakPolarHBondContact O-CB 3.24Å; A98-L102 PolarHBondContact O-N 3.3Å
99	L	91.6	Very high	91.5	Very high	70 Å²	70	78.4 Å²	78.4	37%	0.366	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-40	175.5	-74.3	172.5	0	0	0	112.1	V95 L96 L102 N103	V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 WeakPolarHBondContact O-CG 3.41Å; V95-L99 PolarHBondContact O-N 2.96Å; L96-L99 HydrophobicContact CD2-CD1 4.36Å; L96-L99 PolarHBondContact O-N 2.99Å; L99-L102 PolarHBondContact O-N 2.99Å; L99-N103 WeakPolarHBondContact O-CB 3.31Å; L99-N103 PolarHBondContact O-N 3.34Å
100	E	90.9	Very high	91.9	Very high	41 Å²	41	81.5 Å²	81.5	19%	0.192	44%	0.436	C	S	.	.	H	α-helix	trans	-62.3	-45.8	173.7	-74.6	-177.1	176.2	0	0	112.3	G23 M24 S25 L96 L102 N103 M104	G23-E100 WeakPolarHBondContact CA-OE1 3.14Å; G23-E100 PolarHBondContact N-OE1 2.91Å; G23-E100 VanDerWaalsContact N-OE1 3.15Å; G23-E100 PolarHBondContact N-OE2 3.12Å; M24-E100 PolarHBondContact N-OE1 2.85Å; M24-E100 VanDerWaalsContact N-OE1 3.08Å; S25-E100 WeakPolarHBondContact CA-OE1 3.42Å; S25-E100 VanDerWaalsContact CB-OE1 3.28Å; S25-E100 WeakPolarHBondContact CB-OE1 3Å; S25-E100 PolarHBondContact N-OE1 3.27Å; S25-E100 WeakPolarHBondContact OG-CG 3.46Å; S25-E100 PolarHBondContact OG-OE1 3.04Å; L96-E100 PolarHBondContact O-N 3.49Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.04Å; E100-N103 PolarHBondContact O-N 3.28Å; E100-M104 WeakPolarHBondContact O-CB 3.49Å; E100-M104 PolarHBondContact O-N 3.13Å
101	E	92.8	Very high	92.2	Very high	110 Å²	110	83.3 Å²	83.3	51%	0.514	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-38.4	179	-175.9	169.4	-177.1	0	0	111.9	K22 A97 A98 S105	K22-E101 IonicContact NZ-OE2 2.87Å; K22-E101 PolarHBondContact NZ-OE2 3.03Å; A97-E101 PolarHBondContact O-N 3.45Å; A98-E101 PolarHBondContact O-N 3.01Å; E101-S105 VanDerWaalsContact O-CB 3.31Å; E101-S105 WeakPolarHBondContact O-CB 3.16Å; E101-S105 PolarHBondContact O-N 3.3Å; E101-S105 PolarHBondContact O-OG 2.88Å
102	L	93.4	Very high	92.4	Very high	70 Å²	70	82.7 Å²	82.7	37%	0.366	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-48.5	172.9	179.1	62	0	0	0	110.8	A98 L99 E100 M104 S105 I106 L139	A98-L102 VanDerWaalsContact O-CB 3.31Å; A98-L102 WeakPolarHBondContact O-CB 3.24Å; A98-L102 PolarHBondContact O-N 3.3Å; L99-L102 PolarHBondContact O-N 2.99Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.04Å; L102-M104 PolarHBondContact O-N 3.41Å; L102-S105 WeakPolarHBondContact O-CB 3.4Å; L102-S105 PolarHBondContact O-N 2.79Å; L102-I106 HydrophobicContact CD1-CD1 4Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CG-CD1 3.91Å; L102-I106 VanDerWaalsContact O-CG1 3.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3Å; L102-L139 HydrophobicContact CD2-CD2 3.79Å
103	N	92.1	Very high	92.5	Very high	89 Å²	89	77.3 Å²	77.3	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-59.7	-46.7	178.7	-172.1	35.9	0	0	0	111.2	L99 E100 S105 I106 L107	L99-N103 WeakPolarHBondContact O-CB 3.31Å; L99-N103 PolarHBondContact O-N 3.34Å; E100-N103 PolarHBondContact O-N 3.28Å; N103-S105 VanDerWaalsContact C-N 3.3Å; N103-S105 PolarHBondContact O-N 3Å; N103-I106 PolarHBondContact O-N 3.09Å; N103-L107 WeakPolarHBondContact O-CB 3.27Å; N103-L107 WeakPolarHBondContact O-CG 3.48Å; N103-L107 PolarHBondContact O-N 2.69Å
104	M	91.6	Very high	92.7	Very high	118 Å²	118	80.6 Å²	80.6	58%	0.581	42%	0.424	S	S	*	.	H	α-helix	trans	-60.1	-40.7	176	-169.1	60.6	62.6	0	0	112.1	E100 L102 K108	E100-M104 WeakPolarHBondContact O-CB 3.49Å; E100-M104 PolarHBondContact O-N 3.13Å; L102-M104 PolarHBondContact O-N 3.41Å; M104-K108 VanDerWaalsContact O-CB 3.27Å; M104-K108 WeakPolarHBondContact O-CB 3.39Å; M104-K108 PolarHBondContact O-N 2.76Å
105	S	95.4	Very high	92.9	Very high	65 Å²	65	83.1 Å²	83.1	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-41.8	177.7	-62.9	0	0	0	0	112.2	E101 L102 N103 A109	E101-S105 VanDerWaalsContact O-CB 3.31Å; E101-S105 WeakPolarHBondContact O-CB 3.16Å; E101-S105 PolarHBondContact O-N 3.3Å; E101-S105 PolarHBondContact O-OG 2.88Å; L102-S105 WeakPolarHBondContact O-CB 3.4Å; L102-S105 PolarHBondContact O-N 2.79Å; N103-S105 VanDerWaalsContact C-N 3.3Å; N103-S105 PolarHBondContact O-N 3Å; S105-A109 WeakPolarHBondContact O-CB 3.47Å; S105-A109 PolarHBondContact O-N 3.23Å
106	I	94.4	Very high	92.8	Very high	37 Å²	37	83.6 Å²	83.6	19%	0.19	43%	0.43	C	S	.	.	H	α-helix	trans	-64.1	-50.9	176.3	-70.1	169.5	0	0	0	110.1	L102 N103 K108 A109 M110 T135 L139	L102-I106 HydrophobicContact CD1-CD1 4Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CG-CD1 3.91Å; L102-I106 VanDerWaalsContact O-CG1 3.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.36Å; L102-I106 PolarHBondContact O-N 3Å; N103-I106 PolarHBondContact O-N 3.09Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.12Å; I106-A109 PolarHBondContact O-N 2.77Å; I106-A109 VanDerWaalsContact O-N 3.14Å; I106-M110 HydrophobicContact CG2-CG 4.22Å; I106-M110 HydrophobicContact CG2-SD 3.72Å; I106-M110 WeakPolarHBondContact O-CB 3.39Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.5Å; I106-M110 PolarHBondContact O-N 3.3Å; I106-T135 HydrophobicContact CD1-CG2 3.96Å; I106-T135 HydrophobicContact CG1-CG2 4.18Å; I106-L139 HydrophobicContact CD1-CD1 4.01Å
107	L	94.4	Very high	92.9	Very high	79 Å²	79	85.5 Å²	85.5	41%	0.414	44%	0.436	S	S	.	.	H	α-helix	trans	-57.8	-45.9	179.1	-72.1	172.5	0	0	0	111.4	N103 A109 M110 D111	N103-L107 WeakPolarHBondContact O-CB 3.27Å; N103-L107 WeakPolarHBondContact O-CG 3.48Å; N103-L107 PolarHBondContact O-N 2.69Å; L107-A109 PolarHBondContact O-N 3.23Å; L107-M110 PolarHBondContact O-N 3.29Å; L107-D111 PolarHBondContact O-N 2.63Å
108	K	94.6	Very high	93	Very high	159 Å²	159	93.2 Å²	93.2	69%	0.691	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-41.8	176.3	-175.3	177.4	-178.8	177.6	0	112.7	M104 I106 K112	M104-K108 VanDerWaalsContact O-CB 3.27Å; M104-K108 WeakPolarHBondContact O-CB 3.39Å; M104-K108 PolarHBondContact O-N 2.76Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.12Å; K108-K112 WeakPolarHBondContact O-CB 3.47Å; K108-K112 PolarHBondContact O-N 2.89Å; K108-K112 VanDerWaalsContact O-N 3.15Å
109	A	93.8	Very high	93	Very high	53 Å²	53	99.2 Å²	99.2	44%	0.438	49%	0.489	S	S	.	.	H	α-helix	trans	-66.9	-39.9	176.1	0	0	0	0	0	111.6	S105 I106 L107 T113	S105-A109 WeakPolarHBondContact O-CB 3.47Å; S105-A109 PolarHBondContact O-N 3.23Å; I106-A109 PolarHBondContact O-N 2.77Å; I106-A109 VanDerWaalsContact O-N 3.14Å; L107-A109 PolarHBondContact O-N 3.23Å; A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 VanDerWaalsContact O-CG2 3.28Å; A109-T113 WeakPolarHBondContact O-CG2 3.27Å; A109-T113 PolarHBondContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 3.23Å
110	M	93.6	Very high	93.1	Very high	86 Å²	86	97.5 Å²	97.5	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-46.5	176.2	-74.9	-179.3	65.4	0	0	111.8	I106 L107 K112 T113 K114 L132	I106-M110 HydrophobicContact CG2-CG 4.22Å; I106-M110 HydrophobicContact CG2-SD 3.72Å; I106-M110 WeakPolarHBondContact O-CB 3.39Å; I106-M110 VanDerWaalsContact O-CG 3.31Å; I106-M110 WeakPolarHBondContact O-CG 3.5Å; I106-M110 PolarHBondContact O-N 3.3Å; L107-M110 PolarHBondContact O-N 3.29Å; M110-K112 VanDerWaalsContact C-N 3.32Å; M110-K112 PolarHBondContact O-N 3.32Å; M110-T113 WeakPolarHBondContact CA-OG1 3.48Å; M110-T113 PolarHBondContact O-N 2.8Å; M110-T113 PolarHBondContact O-OG1 2.86Å; M110-K114 WeakPolarHBondContact O-CB 3.38Å; M110-K114 PolarHBondContact O-N 2.97Å; M110-L132 HydrophobicContact CG-CD2 3.9Å
111	D	94.3	Very high	93.4	Very high	93 Å²	93	99.2 Å²	99.2	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-41.5	178	-79	-24.4	0	0	0	112.2	L107 K115	L107-D111 PolarHBondContact O-N 2.63Å; D111-K115 WeakPolarHBondContact O-CG 3.32Å; D111-K115 PolarHBondContact O-N 3.1Å
112	K	92.4	Very high	93.5	Very high	142 Å²	142	101.7 Å²	101.7	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-52.6	176.4	-175.9	173.4	-179	176.8	0	111	K108 M110 K114 K115 D116	K108-K112 WeakPolarHBondContact O-CB 3.47Å; K108-K112 PolarHBondContact O-N 2.89Å; K108-K112 VanDerWaalsContact O-N 3.15Å; M110-K112 VanDerWaalsContact C-N 3.32Å; M110-K112 PolarHBondContact O-N 3.32Å; K112-K114 VanDerWaalsContact C-N 3.29Å; K112-K114 PolarHBondContact O-N 2.84Å; K112-K115 PolarHBondContact O-N 3.34Å; K112-D116 PolarHBondContact O-N 2.85Å
113	T	91.9	Very high	93.7	Very high	45 Å²	45	104.1 Å²	104.1	28%	0.276	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-32.4	-177.5	53.6	0	0	0	0	112.4	A109 M110 Y117 T128	A109-T113 WeakPolarHBondContact O-CB 3.49Å; A109-T113 VanDerWaalsContact O-CG2 3.28Å; A109-T113 WeakPolarHBondContact O-CG2 3.27Å; A109-T113 PolarHBondContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 3.23Å; M110-T113 WeakPolarHBondContact CA-OG1 3.48Å; M110-T113 PolarHBondContact O-N 2.8Å; M110-T113 PolarHBondContact O-OG1 2.86Å; T113-Y117 WeakPolarHBondContact O-CA 3.39Å; T113-Y117 VanDerWaalsContact O-CB 3.24Å; T113-Y117 WeakPolarHBondContact O-CB 3.16Å; T113-Y117 PolarHBondContact O-N 3.42Å; T113-T128 HydrophobicContact CG2-CG2 4.15Å
114	K	94.1	Very high	93.8	Very high	163 Å²	163	104.6 Å²	104.6	71%	0.709	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-43.5	174.3	-179.6	-179.6	177.7	-176.8	0	112.2	M110 K112	M110-K114 WeakPolarHBondContact O-CB 3.38Å; M110-K114 PolarHBondContact O-N 2.97Å; K112-K114 VanDerWaalsContact C-N 3.29Å; K112-K114 PolarHBondContact O-N 2.84Å
115	K	92.8	Very high	93.9	Very high	163 Å²	163	100.4 Å²	100.4	71%	0.709	50%	0.498	S	S	*	.	H	α-helix	trans	-62.9	-45.5	178.2	-73.9	173.6	-176.3	177.4	0	111.5	D111 K112	D111-K115 WeakPolarHBondContact O-CG 3.32Å; D111-K115 PolarHBondContact O-N 3.1Å; K112-K115 PolarHBondContact O-N 3.34Å
116	D	90.8	Very high	93.9	Very high	79 Å²	79	102.6 Å²	102.6	42%	0.422	50%	0.5	S	S	.	.	H	α-helix	trans	-83	-15.5	-173.8	-56.6	-20.1	0	0	0	112.4	K112 Q118 E119 S120	K112-D116 PolarHBondContact O-N 2.85Å; D116-Q118 PolarHBondContact O-N 3.11Å; D116-E119 PolarHBondContact O-N 3.09Å; D116-S120 WeakPolarHBondContact O-CB 3.28Å; D116-S120 PolarHBondContact O-N 3.31Å; D116-S120 PolarHBondContact O-OG 2.79Å
117	Y	93.7	Very high	94	Very high	65 Å²	65	104 Å²	104	26%	0.255	51%	0.509	S	S	.	.	H	α-helix	trans	-56.9	-49.9	-167.2	-168	-105.5	0	0	0	114.5	T113 E119 S120 Q125 T128 R129	T113-Y117 WeakPolarHBondContact O-CA 3.39Å; T113-Y117 VanDerWaalsContact O-CB 3.24Å; T113-Y117 WeakPolarHBondContact O-CB 3.16Å; T113-Y117 PolarHBondContact O-N 3.42Å; Y117-E119 VanDerWaalsContact C-N 3.29Å; Y117-E119 PolarHBondContact O-N 2.96Å; Y117-S120 PolarHBondContact O-N 2.89Å; Y117-Q125 HydrophobicContact CD1-CG 4.47Å; Y117-Q125 HydrophobicContact CD2-CB 4.36Å; Y117-Q125 HydrophobicContact CD2-CG 4.06Å; Y117-Q125 HydrophobicContact CE1-CG 4.26Å; Y117-Q125 HydrophobicContact CE2-CB 3.7Å; Y117-Q125 HydrophobicContact CE2-CG 3.83Å; Y117-Q125 HydrophobicContact CG-CG 4.38Å; Y117-Q125 VanDerWaalsContact O-CG 3.31Å; Y117-Q125 WeakPolarHBondContact O-CG 3.35Å; Y117-Q125 PolarHBondContact O-NE2 3.34Å; Y117-T128 HydrophobicContact CD2-CG2 4.01Å; Y117-T128 HydrophobicContact CE2-CG2 4.16Å; Y117-R129 HydrophobicContact CE2-CG 4.45Å; Y117-R129 WeakPolarHBondContact OH-CD 3.42Å; Y117-R129 WeakPolarHBondContact OH-CG 3.38Å; Y117-R129 PolarHBondContact OH-NH1 2.85Å
118	Q	91.3	Very high	94	Very high	175 Å²	175	101.2 Å²	101.2	82%	0.818	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.8	-173.5	-68.1	-175.1	-7.1	0	0	112.1	D116	D116-Q118 PolarHBondContact O-N 3.11Å
119	E	93.6	Very high	94	Very high	182 Å²	182	99.3 Å²	99.3	85%	0.85	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.6	-179.2	-58.1	-171.7	164.1	0	0	112.7	D116 Y117	D116-E119 PolarHBondContact O-N 3.09Å; Y117-E119 VanDerWaalsContact C-N 3.29Å; Y117-E119 PolarHBondContact O-N 2.96Å
120	S	94.3	Very high	94.1	Very high	33 Å²	33	101.9 Å²	101.9	23%	0.231	49%	0.486	C	S	.	.	S	Bend	trans	-77.9	159.9	-179.1	-66.5	0	0	0	0	113.5	D116 Y117 Q125	D116-S120 WeakPolarHBondContact O-CB 3.28Å; D116-S120 PolarHBondContact O-N 3.31Å; D116-S120 PolarHBondContact O-OG 2.79Å; Y117-S120 PolarHBondContact O-N 2.89Å; S120-Q125 PolarHBondContact O-NE2 3.12Å
121	T	96.4	Very high	94.2	Very high	77 Å²	77	102.3 Å²	102.3	47%	0.472	49%	0.489	S	S	.	.			trans	-66	158.8	174.5	64.9	0	0	0	0	112.1	L123 E124 Q125	T121-L123 PolarHBondContact O-N 3.21Å; T121-L123 VanDerWaalsContact O-N 3.16Å; T121-E124 WeakPolarHBondContact CB-OE2 3.32Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.33Å; T121-E124 PolarHBondContact N-OE2 3.42Å; T121-E124 PolarHBondContact O-N 3.26Å; T121-E124 VanDerWaalsContact O-N 3.11Å; T121-E124 VanDerWaalsContact OG1-CD 3.22Å; T121-E124 WeakPolarHBondContact OG1-CG 3.29Å; T121-E124 PolarHBondContact OG1-N 2.87Å; T121-E124 PolarHBondContact OG1-OE2 3.23Å; T121-Q125 WeakPolarHBondContact O-CG 3.46Å; T121-Q125 PolarHBondContact O-N 3.14Å
122	H	95.8	Very high	94.2	Very high	162 Å²	162	101.3 Å²	101.3	75%	0.75	48%	0.483	S	S	*	.	H	α-helix	trans	-56.1	-33.2	175.5	-77.5	-57.7	0	0	0	113.7	F126	H122-F126 WeakPolarHBondContact O-CB 3.49Å; H122-F126 PolarHBondContact O-N 3.1Å
123	L	96.2	Very high	94.4	Very high	122 Å²	122	101.3 Å²	101.3	64%	0.639	48%	0.483	S	S	*	.	H	α-helix	trans	-69.4	-46.2	176.8	-179.1	62.2	0	0	0	111	T121 F126 V127	T121-L123 PolarHBondContact O-N 3.21Å; T121-L123 VanDerWaalsContact O-N 3.16Å; L123-F126 WeakPolarHBondContact O-CB 3.32Å; L123-F126 PolarHBondContact O-N 3.37Å; L123-V127 WeakPolarHBondContact O-CG2 3.42Å; L123-V127 PolarHBondContact O-N 3.32Å
124	E	93.7	Very high	94.6	Very high	98 Å²	98	102.4 Å²	102.4	46%	0.458	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-43	177.3	-73.3	160	156	0	0	111.5	T121 F126 V127 T128	T121-E124 WeakPolarHBondContact CB-OE2 3.32Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.33Å; T121-E124 PolarHBondContact N-OE2 3.42Å; T121-E124 PolarHBondContact O-N 3.26Å; T121-E124 VanDerWaalsContact O-N 3.11Å; T121-E124 VanDerWaalsContact OG1-CD 3.22Å; T121-E124 WeakPolarHBondContact OG1-CG 3.29Å; T121-E124 PolarHBondContact OG1-N 2.87Å; T121-E124 PolarHBondContact OG1-OE2 3.23Å; E124-F126 VanDerWaalsContact C-N 3.28Å; E124-F126 PolarHBondContact O-N 3.1Å; E124-V127 PolarHBondContact O-N 3.17Å; E124-V127 VanDerWaalsContact O-N 3.12Å; E124-T128 PolarHBondContact O-N 3.45Å; E124-T128 PolarHBondContact O-OG1 3.06Å; E124-T128 VanDerWaalsContact O-OG1 3.13Å
125	Q	94.3	Very high	94.6	Very high	30 Å²	30	97.6 Å²	97.6	14%	0.14	47%	0.47	C	S	.	.	H	α-helix	trans	-59.8	-38.3	173.3	-71	176.5	1	0	0	112.4	Y117 S120 T121 R129	Y117-Q125 HydrophobicContact CD1-CG 4.47Å; Y117-Q125 HydrophobicContact CD2-CB 4.36Å; Y117-Q125 HydrophobicContact CD2-CG 4.06Å; Y117-Q125 HydrophobicContact CE1-CG 4.26Å; Y117-Q125 HydrophobicContact CE2-CB 3.7Å; Y117-Q125 HydrophobicContact CE2-CG 3.83Å; Y117-Q125 HydrophobicContact CG-CG 4.38Å; Y117-Q125 VanDerWaalsContact O-CG 3.31Å; Y117-Q125 WeakPolarHBondContact O-CG 3.35Å; Y117-Q125 PolarHBondContact O-NE2 3.34Å; S120-Q125 PolarHBondContact O-NE2 3.12Å; T121-Q125 WeakPolarHBondContact O-CG 3.46Å; T121-Q125 PolarHBondContact O-N 3.14Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.07Å; Q125-R129 VanDerWaalsContact O-N 3.07Å
126	F	96	Very high	94.7	Very high	112 Å²	112	94 Å²	94	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-64.4	-46.6	173	167.8	-92.8	0	0	0	111.2	H122 L123 E124 T128 R129 F130	H122-F126 WeakPolarHBondContact O-CB 3.49Å; H122-F126 PolarHBondContact O-N 3.1Å; L123-F126 WeakPolarHBondContact O-CB 3.32Å; L123-F126 PolarHBondContact O-N 3.37Å; E124-F126 VanDerWaalsContact C-N 3.28Å; E124-F126 PolarHBondContact O-N 3.1Å; F126-T128 VanDerWaalsContact C-N 3.32Å; F126-T128 PolarHBondContact O-N 2.87Å; F126-R129 PolarHBondContact O-N 3.27Å; F126-F130 HydrophobicContact CE1-CB 4.48Å; F126-F130 WeakPolarHBondContact O-CB 3.22Å; F126-F130 PolarHBondContact O-N 3.19Å
127	V	95.8	Very high	94.9	Very high	65 Å²	65	93.8 Å²	93.8	39%	0.394	46%	0.461	S	S	.	.	H	α-helix	trans	-58.7	-44.2	177.2	171.6	0	0	0	0	110.5	L123 E124 R129 F130 L131	L123-V127 WeakPolarHBondContact O-CG2 3.42Å; L123-V127 PolarHBondContact O-N 3.32Å; E124-V127 PolarHBondContact O-N 3.17Å; E124-V127 VanDerWaalsContact O-N 3.12Å; V127-R129 PolarHBondContact O-N 2.87Å; V127-F130 PolarHBondContact O-N 3.42Å; V127-L131 HydrophobicContact CG1-CD1 3.77Å; V127-L131 HydrophobicContact CG1-CG 4.19Å; V127-L131 WeakPolarHBondContact O-CB 3.35Å; V127-L131 VanDerWaalsContact O-CG 3.28Å; V127-L131 WeakPolarHBondContact O-CG 3.35Å; V127-L131 PolarHBondContact O-N 2.79Å
128	T	94.5	Very high	95	Very high	21 Å²	21	96.2 Å²	96.2	13%	0.129	47%	0.474	C	S	.	.	H	α-helix	trans	-59	-48.8	174.9	-57.6	0	0	0	0	111.9	T113 Y117 E124 F126 F130 L131 L132	T113-T128 HydrophobicContact CG2-CG2 4.15Å; Y117-T128 HydrophobicContact CD2-CG2 4.01Å; Y117-T128 HydrophobicContact CE2-CG2 4.16Å; E124-T128 PolarHBondContact O-N 3.45Å; E124-T128 PolarHBondContact O-OG1 3.06Å; E124-T128 VanDerWaalsContact O-OG1 3.13Å; F126-T128 VanDerWaalsContact C-N 3.32Å; F126-T128 PolarHBondContact O-N 2.87Å; T128-F130 VanDerWaalsContact C-N 3.32Å; T128-F130 PolarHBondContact O-N 2.8Å; T128-L131 PolarHBondContact O-N 2.88Å; T128-L132 HydrophobicContact CG2-CD1 4.08Å; T128-L132 VanDerWaalsContact O-CG 3.32Å; T128-L132 WeakPolarHBondContact O-CG 3.35Å; T128-L132 PolarHBondContact O-N 3.49Å
129	R	94.6	Very high	95.1	Very high	120 Å²	120	91.3 Å²	91.3	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.6	-71.7	-174.8	-59.6	-105.1	0.5	112	Y117 Q125 F126 V127 K133	Y117-R129 HydrophobicContact CE2-CG 4.45Å; Y117-R129 WeakPolarHBondContact OH-CD 3.42Å; Y117-R129 WeakPolarHBondContact OH-CG 3.38Å; Y117-R129 PolarHBondContact OH-NH1 2.85Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.07Å; Q125-R129 VanDerWaalsContact O-N 3.07Å; F126-R129 PolarHBondContact O-N 3.27Å; V127-R129 PolarHBondContact O-N 2.87Å; R129-K133 WeakPolarHBondContact O-CB 3.46Å; R129-K133 PolarHBondContact O-N 2.92Å
130	F	96	Very high	95.1	Very high	106 Å²	106	87.7 Å²	87.7	47%	0.465	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-49.6	177.1	172.4	-97.1	0	0	0	111.3	F126 V127 T128 L132 K133 E134	F126-F130 HydrophobicContact CE1-CB 4.48Å; F126-F130 WeakPolarHBondContact O-CB 3.22Å; F126-F130 PolarHBondContact O-N 3.19Å; V127-F130 PolarHBondContact O-N 3.42Å; T128-F130 VanDerWaalsContact C-N 3.32Å; T128-F130 PolarHBondContact O-N 2.8Å; F130-L132 PolarHBondContact O-N 3.45Å; F130-K133 WeakPolarHBondContact O-CB 3.45Å; F130-K133 PolarHBondContact O-N 2.73Å; F130-E134 WeakPolarHBondContact O-CB 3.45Å; F130-E134 PolarHBondContact O-N 3.15Å
131	L	95.9	Very high	95.1	Very high	96 Å²	96	89.3 Å²	89.3	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-40.1	-179.9	-69.6	174.3	0	0	0	112.1	V127 T128 E134 T135	V127-L131 HydrophobicContact CG1-CD1 3.77Å; V127-L131 HydrophobicContact CG1-CG 4.19Å; V127-L131 WeakPolarHBondContact O-CB 3.35Å; V127-L131 VanDerWaalsContact O-CG 3.28Å; V127-L131 WeakPolarHBondContact O-CG 3.35Å; V127-L131 PolarHBondContact O-N 2.79Å; T128-L131 PolarHBondContact O-N 2.88Å; L131-E134 PolarHBondContact O-N 2.57Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-OG1 3.33Å
132	L	95.1	Very high	95.1	Very high	71 Å²	71	89.7 Å²	89.7	37%	0.372	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-44.2	174.6	-71.4	172.8	0	0	0	111.8	M110 T128 F130 E134 T136	M110-L132 HydrophobicContact CG-CD2 3.9Å; T128-L132 HydrophobicContact CG2-CD1 4.08Å; T128-L132 VanDerWaalsContact O-CG 3.32Å; T128-L132 WeakPolarHBondContact O-CG 3.35Å; T128-L132 PolarHBondContact O-N 3.49Å; F130-L132 PolarHBondContact O-N 3.45Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-T136 PolarHBondContact O-N 2.66Å; L132-T136 VanDerWaalsContact O-N 3.09Å; L132-T136 PolarHBondContact O-OG1 2.81Å
133	K	95.7	Very high	94.9	Very high	142 Å²	142	86.6 Å²	86.6	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-60.8	-45.5	175.1	-176.7	179.6	179.2	-178.8	0	111.1	R129 F130 T136 N137	R129-K133 WeakPolarHBondContact O-CB 3.46Å; R129-K133 PolarHBondContact O-N 2.92Å; F130-K133 WeakPolarHBondContact O-CB 3.45Å; F130-K133 PolarHBondContact O-N 2.73Å; K133-T136 WeakPolarHBondContact O-CB 3.41Å; K133-T136 PolarHBondContact O-N 3.07Å; K133-N137 VanDerWaalsContact O-CG 3.28Å; K133-N137 PolarHBondContact O-N 3.13Å; K133-N137 PolarHBondContact O-ND2 3.08Å
134	E	95.3	Very high	94.7	Very high	68 Å²	68	82.9 Å²	82.9	32%	0.318	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-45.7	-178.5	-168.6	56.7	-152.8	0	0	111.7	F130 L131 L132 T136 N137 Q138	F130-E134 WeakPolarHBondContact O-CB 3.45Å; F130-E134 PolarHBondContact O-N 3.15Å; L131-E134 PolarHBondContact O-N 2.57Å; L132-E134 VanDerWaalsContact C-N 3.34Å; E134-T136 VanDerWaalsContact C-N 3.25Å; E134-T136 PolarHBondContact O-N 2.86Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.21Å; E134-N137 VanDerWaalsContact O-N 3.07Å; E134-Q138 WeakPolarHBondContact O-CG 3.44Å; E134-Q138 PolarHBondContact O-N 3.33Å; E134-Q138 PolarHBondContact OE1-NE2 3.03Å
135	T	95.2	Very high	94.6	Very high	62 Å²	62	81.7 Å²	81.7	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-56.3	-40.8	174.2	-59.7	0	0	0	0	111.7	I106 L131 Q138 L139	I106-T135 HydrophobicContact CD1-CG2 3.96Å; I106-T135 HydrophobicContact CG1-CG2 4.18Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-OG1 3.33Å; T135-Q138 PolarHBondContact O-N 3.29Å; T135-L139 HydrophobicContact CG2-CD1 4.48Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.49Å
136	T	95.1	Very high	94.6	Very high	88 Å²	88	84.5 Å²	84.5	54%	0.54	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-45	175.7	-55.5	0	0	0	0	111.5	L132 K133 E134 Q138 L139 H140	L132-T136 PolarHBondContact O-N 2.66Å; L132-T136 VanDerWaalsContact O-N 3.09Å; L132-T136 PolarHBondContact O-OG1 2.81Å; K133-T136 WeakPolarHBondContact O-CB 3.41Å; K133-T136 PolarHBondContact O-N 3.07Å; E134-T136 VanDerWaalsContact C-N 3.25Å; E134-T136 PolarHBondContact O-N 2.86Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 3.47Å; T136-L139 PolarHBondContact O-N 2.95Å; T136-H140 PolarHBondContact O-N 2.86Å
137	N	94	Very high	94.3	Very high	75 Å²	75	83.9 Å²	83.9	40%	0.401	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-39.9	177.9	-66.2	-22.2	0	0	0	112.2	K133 E134 H140 S141	K133-N137 VanDerWaalsContact O-CG 3.28Å; K133-N137 PolarHBondContact O-N 3.13Å; K133-N137 PolarHBondContact O-ND2 3.08Å; E134-N137 WeakPolarHBondContact O-CB 3.47Å; E134-N137 PolarHBondContact O-N 3.21Å; E134-N137 VanDerWaalsContact O-N 3.07Å; N137-H140 PolarHBondContact O-N 3.47Å; N137-S141 PolarHBondContact O-N 2.88Å
138	Q	95.4	Very high	94	Very high	115 Å²	115	84.5 Å²	84.5	54%	0.537	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-42.3	177.7	-64.1	-57.6	-32.5	0	0	111.6	E134 T135 T136 S141 L142	E134-Q138 WeakPolarHBondContact O-CG 3.44Å; E134-Q138 PolarHBondContact O-N 3.33Å; E134-Q138 PolarHBondContact OE1-NE2 3.03Å; T135-Q138 PolarHBondContact O-N 3.29Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 3.47Å; Q138-S141 PolarHBondContact O-N 2.95Å; Q138-L142 PolarHBondContact O-N 3.2Å; Q138-L142 VanDerWaalsContact O-N 3.13Å
139	L	95.3	Very high	93.8	Very high	72 Å²	72	85.9 Å²	85.9	38%	0.377	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-40.1	173.9	-70.7	175.6	0	0	0	112.2	L102 I106 T135 T136 L142 Q143	L102-L139 HydrophobicContact CD2-CD2 3.79Å; I106-L139 HydrophobicContact CD1-CD1 4.01Å; T135-L139 HydrophobicContact CG2-CD1 4.48Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.49Å; T136-L139 PolarHBondContact O-N 2.95Å; L139-L142 WeakPolarHBondContact O-CB 3.49Å; L139-L142 PolarHBondContact O-N 3.36Å; L139-Q143 PolarHBondContact O-N 3.09Å
140	H	93.2	Very high	93.4	Very high	107 Å²	107	86.4 Å²	86.4	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-65.9	-38.4	178.1	-175.4	57.7	0	0	0	112.8	T136 N137 L142 Q143 S144	T136-H140 PolarHBondContact O-N 2.86Å; N137-H140 PolarHBondContact O-N 3.47Å; H140-L142 VanDerWaalsContact C-N 3.33Å; H140-Q143 PolarHBondContact O-N 3.21Å; H140-S144 PolarHBondContact O-N 3.45Å; H140-S144 PolarHBondContact O-OG 3.18Å
141	S	94.8	Very high	92.9	Very high	67 Å²	67	88.4 Å²	88.4	47%	0.469	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-42	173.3	-173.9	0	0	0	0	111.8	N137 Q138 S144 S145	N137-S141 PolarHBondContact O-N 2.88Å; Q138-S141 PolarHBondContact O-N 2.95Å; S141-S144 PolarHBondContact O-N 3.36Å; S141-S145 PolarHBondContact O-N 2.78Å; S141-S145 VanDerWaalsContact O-N 3.13Å; S141-S145 PolarHBondContact O-OG 2.87Å
142	L	94.5	Very high	92.4	Very high	85 Å²	85	87.6 Å²	87.6	45%	0.445	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-45.9	175	-176.6	67.1	0	0	0	111.6	Q138 L139 H140 S144 S145 L146	Q138-L142 PolarHBondContact O-N 3.2Å; Q138-L142 VanDerWaalsContact O-N 3.13Å; L139-L142 WeakPolarHBondContact O-CB 3.49Å; L139-L142 PolarHBondContact O-N 3.36Å; H140-L142 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 3.26Å; L142-S145 WeakPolarHBondContact O-CB 3.36Å; L142-S145 PolarHBondContact O-N 2.83Å; L142-L146 HydrophobicContact CG-CD1 4.4Å; L142-L146 PolarHBondContact O-N 2.87Å; L142-L146 VanDerWaalsContact O-N 3.07Å
143	Q	93.6	Very high	91.9	Very high	97 Å²	97	88 Å²	88	45%	0.453	48%	0.478	S	S	.	.	H	α-helix	trans	-57.4	-48.8	175.8	179.8	-171.3	-9.4	0	0	111.4	L139 H140 S145 L146 E147	L139-Q143 PolarHBondContact O-N 3.09Å; H140-Q143 PolarHBondContact O-N 3.21Å; Q143-S145 PolarHBondContact O-N 3.14Å; Q143-L146 WeakPolarHBondContact O-CB 3.25Å; Q143-L146 PolarHBondContact O-N 3.06Å; Q143-E147 HydrophobicContact CG-CG 4.39Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.29Å; Q143-E147 PolarHBondContact NE2-OE1 3.13Å; Q143-E147 WeakPolarHBondContact O-CG 3.39Å; Q143-E147 PolarHBondContact O-N 3.1Å
144	S	91	Very high	91.1	Very high	43 Å²	43	83.6 Å²	83.6	30%	0.301	47%	0.468	S	S	.	.	H	α-helix	trans	-58.8	-38.1	179.8	-56.7	0	0	0	0	111.8	H140 S141 L142 C148	H140-S144 PolarHBondContact O-N 3.45Å; H140-S144 PolarHBondContact O-OG 3.18Å; S141-S144 PolarHBondContact O-N 3.36Å; L142-S144 PolarHBondContact O-N 3.26Å; S144-C148 PolarHBondContact O-N 3.46Å; S144-C148 PolarHBondContact O-SG 3.26Å
145	S	92.6	Very high	90.3	Very high	74 Å²	74	84.3 Å²	84.3	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-67.1	-39.4	177	-56.9	0	0	0	0	112.1	S141 L142 Q143 A149	S141-S145 PolarHBondContact O-N 2.78Å; S141-S145 VanDerWaalsContact O-N 3.13Å; S141-S145 PolarHBondContact O-OG 2.87Å; L142-S145 WeakPolarHBondContact O-CB 3.36Å; L142-S145 PolarHBondContact O-N 2.83Å; Q143-S145 PolarHBondContact O-N 3.14Å; S145-A149 PolarHBondContact O-N 2.96Å
146	L	92.8	Very high	89.4	Confident	88 Å²	88	86.7 Å²	86.7	46%	0.461	48%	0.478	S	S	.	.	H	α-helix	trans	-68.8	-40.4	176	-73.1	168.6	0	0	0	112	L142 Q143 C148 A149 M150	L142-L146 HydrophobicContact CG-CD1 4.4Å; L142-L146 PolarHBondContact O-N 2.87Å; L142-L146 VanDerWaalsContact O-N 3.07Å; Q143-L146 WeakPolarHBondContact O-CB 3.25Å; Q143-L146 PolarHBondContact O-N 3.06Å; L146-C148 VanDerWaalsContact C-N 3.34Å; L146-C148 PolarHBondContact O-N 2.85Å; L146-A149 WeakPolarHBondContact O-CB 3.49Å; L146-A149 PolarHBondContact O-N 3.24Å; L146-A149 VanDerWaalsContact O-N 3.14Å; L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 3.45Å
147	E	91.1	Very high	88.5	Confident	99 Å²	99	84.5 Å²	84.5	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176	-74.8	174	-178.2	0	0	111.5	Q143 A149 M150 E151	Q143-E147 HydrophobicContact CG-CG 4.39Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.29Å; Q143-E147 PolarHBondContact NE2-OE1 3.13Å; Q143-E147 WeakPolarHBondContact O-CG 3.39Å; Q143-E147 PolarHBondContact O-N 3.1Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.13Å; E147-M150 PolarHBondContact O-N 3.43Å; E147-E151 PolarHBondContact O-N 2.99Å
148	C	88.6	Confident	87.4	Confident	78 Å²	78	88.9 Å²	88.9	53%	0.527	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-41.1	173.9	-70.7	0	0	0	0	112.6	S144 L146 T152	S144-C148 PolarHBondContact O-N 3.46Å; S144-C148 PolarHBondContact O-SG 3.26Å; L146-C148 VanDerWaalsContact C-N 3.34Å; L146-C148 PolarHBondContact O-N 2.85Å; C148-T152 WeakPolarHBondContact O-CB 3.36Å; C148-T152 PolarHBondContact O-N 2.81Å; C148-T152 VanDerWaalsContact O-N 3.08Å; C148-T152 PolarHBondContact O-OG1 3.35Å
149	A	89.4	Confident	86	Confident	51 Å²	51	89.1 Å²	89.1	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177.2	0	0	0	0	0	111.2	S145 L146 E147 T152 T153	S145-A149 PolarHBondContact O-N 2.96Å; L146-A149 WeakPolarHBondContact O-CB 3.49Å; L146-A149 PolarHBondContact O-N 3.24Å; L146-A149 VanDerWaalsContact O-N 3.14Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.13Å; A149-T152 PolarHBondContact O-N 2.82Å; A149-T153 WeakPolarHBondContact O-CG2 3.42Å; A149-T153 PolarHBondContact O-N 2.9Å; A149-T153 PolarHBondContact O-OG1 3.13Å
150	M	87.3	Confident	84.4	Confident	130 Å²	130	93.3 Å²	93.3	64%	0.64	49%	0.494	S	S	*	.	H	α-helix	trans	-62.5	-41.8	176.4	-72	174.6	59.2	0	0	112.6	L146 E147 T152 T153 A154	L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 3.45Å; E147-M150 PolarHBondContact O-N 3.43Å; M150-T152 VanDerWaalsContact C-N 3.33Å; M150-T153 PolarHBondContact O-N 3.28Å; M150-T153 PolarHBondContact O-OG1 3.42Å; M150-A154 WeakPolarHBondContact O-CB 3.47Å; M150-A154 PolarHBondContact O-N 2.99Å
151	E	85.7	Confident	82.8	Confident	148 Å²	148	94.3 Å²	94.3	69%	0.692	50%	0.497	S	S	*	.	H	α-helix	trans	-65.4	-39.7	176.4	-172.6	171.9	-162.3	0	0	111.2	E147 A154 E155	E147-E151 PolarHBondContact O-N 2.99Å; E151-A154 PolarHBondContact O-N 2.94Å; E151-E155 WeakPolarHBondContact O-CB 3.39Å; E151-E155 PolarHBondContact O-N 2.78Å
152	T	84.8	Confident	80.7	Confident	80 Å²	80	97.7 Å²	97.7	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.9	-55.7	0	0	0	0	111.9	C148 A149 M150 E155 Q156	C148-T152 WeakPolarHBondContact O-CB 3.36Å; C148-T152 PolarHBondContact O-N 2.81Å; C148-T152 VanDerWaalsContact O-N 3.08Å; C148-T152 PolarHBondContact O-OG1 3.35Å; A149-T152 PolarHBondContact O-N 2.82Å; M150-T152 VanDerWaalsContact C-N 3.33Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-Q156 WeakPolarHBondContact O-CG 3.31Å; T152-Q156 PolarHBondContact O-N 3.2Å; T152-Q156 VanDerWaalsContact O-N 3.08Å
153	T	84.1	Confident	78.4	Confident	79 Å²	79	95.8 Å²	95.8	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-39.9	177.9	54.4	0	0	0	0	111.5	A149 M150 E155 Q156 T157	A149-T153 WeakPolarHBondContact O-CG2 3.42Å; A149-T153 PolarHBondContact O-N 2.9Å; A149-T153 PolarHBondContact O-OG1 3.13Å; M150-T153 PolarHBondContact O-N 3.28Å; M150-T153 PolarHBondContact O-OG1 3.42Å; T153-E155 PolarHBondContact O-N 3.24Å; T153-Q156 PolarHBondContact O-N 2.88Å; T153-T157 PolarHBondContact O-N 3.35Å; T153-T157 VanDerWaalsContact O-N 3.15Å; T153-T157 PolarHBondContact O-OG1 3.19Å; T153-T157 VanDerWaalsContact O-OG1 3.06Å
154	A	80.2	Confident	75.9	Confident	50 Å²	50	97.6 Å²	97.6	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-40.5	175.5	0	0	0	0	0	112.6	M150 E151 T157 R158	M150-A154 WeakPolarHBondContact O-CB 3.47Å; M150-A154 PolarHBondContact O-N 2.99Å; E151-A154 PolarHBondContact O-N 2.94Å; A154-T157 PolarHBondContact O-N 3.4Å; A154-R158 WeakPolarHBondContact O-CG 3.27Å; A154-R158 PolarHBondContact O-N 3.39Å; A154-R158 VanDerWaalsContact O-N 3.16Å
155	E	78.4	Confident	73.7	Confident	83 Å²	83	100.7 Å²	100.7	39%	0.388	54%	0.543	S	S	.	.	H	α-helix	trans	-70	-37.3	178.5	-175.3	55.5	-152.6	0	0	112.3	E151 T152 T153 T157 R158 Q159	E151-E155 WeakPolarHBondContact O-CB 3.39Å; E151-E155 PolarHBondContact O-N 2.78Å; T152-E155 PolarHBondContact O-N 2.94Å; T153-E155 PolarHBondContact O-N 3.24Å; E155-T157 VanDerWaalsContact C-N 3.35Å; E155-T157 PolarHBondContact O-N 2.95Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.06Å; E155-Q159 WeakPolarHBondContact O-CG 3.41Å; E155-Q159 PolarHBondContact O-N 3.38Å; E155-Q159 PolarHBondContact OE1-NE2 2.9Å; E155-Q159 VanDerWaalsContact OE1-NE2 3.09Å
156	Q	76.6	Confident	71.2	Confident	112 Å²	112	106 Å²	106	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-59	-46.1	172.4	-76.1	175.1	-1.1	0	0	111.6	T152 T153 R158 Q159 E160	T152-Q156 WeakPolarHBondContact O-CG 3.31Å; T152-Q156 PolarHBondContact O-N 3.2Å; T152-Q156 VanDerWaalsContact O-N 3.08Å; T153-Q156 PolarHBondContact O-N 2.88Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.19Å; Q156-Q159 PolarHBondContact O-N 3.38Å; Q156-Q159 VanDerWaalsContact O-N 3.15Å; Q156-E160 PolarHBondContact O-N 3.33Å
157	T	76	Confident	68.5	Low	42 Å²	42	107.4 Å²	107.4	26%	0.258	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-30.3	178.7	-50.1	0	0	0	0	112.8	V55 T153 A154 E155 K161	V55-T157 HydrophobicContact CB-CG2 4.14Å; V55-T157 HydrophobicContact CG1-CG2 3.41Å; V55-T157 VanDerWaalsContact CG1-CG2 3.41Å; V55-T157 HydrophobicContact CG2-CG2 3.58Å; T153-T157 PolarHBondContact O-N 3.35Å; T153-T157 VanDerWaalsContact O-N 3.15Å; T153-T157 PolarHBondContact O-OG1 3.19Å; T153-T157 VanDerWaalsContact O-OG1 3.06Å; A154-T157 PolarHBondContact O-N 3.4Å; E155-T157 VanDerWaalsContact C-N 3.35Å; E155-T157 PolarHBondContact O-N 2.95Å; T157-K161 PolarHBondContact O-N 3.12Å
158	R	70.7	Confident	65.8	Low	167 Å²	167	111.2 Å²	111.2	63%	0.63	59%	0.589	S	S	*	*	H	α-helix	trans	-68.4	-42.7	171.9	-76.1	176.1	147	177.6	-1.4	112.5	A154 E155 Q156 K161 Q162	A154-R158 WeakPolarHBondContact O-CG 3.27Å; A154-R158 PolarHBondContact O-N 3.39Å; A154-R158 VanDerWaalsContact O-N 3.16Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.06Å; Q156-R158 VanDerWaalsContact C-N 3.26Å; Q156-R158 PolarHBondContact O-N 3.19Å; R158-K161 PolarHBondContact O-N 3.5Å; R158-Q162 PolarHBondContact O-N 3.3Å
159	Q	65.1	Low	63.4	Low	120 Å²	120	113.8 Å²	113.8	56%	0.561	60%	0.602	S	S	*	*	H	α-helix	trans	-68.2	-34.9	179	-70.4	178.8	19.8	0	0	112.2	E155 Q156 Q162	E155-Q159 WeakPolarHBondContact O-CG 3.41Å; E155-Q159 PolarHBondContact O-N 3.38Å; E155-Q159 PolarHBondContact OE1-NE2 2.9Å; E155-Q159 VanDerWaalsContact OE1-NE2 3.09Å; Q156-Q159 PolarHBondContact O-N 3.38Å; Q156-Q159 VanDerWaalsContact O-N 3.15Å; Q159-Q162 CarbonylContact O-C 3.59Å; Q159-Q162 VanDerWaalsContact O-C 3.24Å; Q159-Q162 PolarHBondContact O-N 2.96Å
160	E	62.3	Low	60.7	Low	160 Å²	160	118.7 Å²	118.7	75%	0.748	62%	0.62	S	S	*	*	H	α-helix	trans	-66.9	-36	174.4	-73.3	-178.1	168	0	0	112.8	Q156	Q156-E160 PolarHBondContact O-N 3.33Å
161	K	58.8	Low	58.3	Low	128 Å²	128	117.4 Å²	117.4	56%	0.557	62%	0.624	S	S	*	*	H	α-helix	trans	-71.9	-31.3	173.7	-74.3	-173.2	176.7	-169	0	112.9	V55 T157 R158 G163	V55-K161 PolarHBondContact O-NZ 2.83Å; T157-K161 PolarHBondContact O-N 3.12Å; R158-K161 PolarHBondContact O-N 3.5Å; K161-G163 VanDerWaalsContact C-N 3.25Å; K161-G163 PolarHBondContact O-N 3.35Å
162	Q	52	Low	55.9	Low	138 Å²	138	117.1 Å²	117.1	65%	0.645	63%	0.626	S	S	*	*	S	Bend	trans	-85.5	68	168.4	-64.9	-173.5	23.4	0	0	109.6	R158 Q159	R158-Q162 PolarHBondContact O-N 3.3Å; Q159-Q162 CarbonylContact O-C 3.59Å; Q159-Q162 VanDerWaalsContact O-C 3.24Å; Q159-Q162 PolarHBondContact O-N 2.96Å
163	G	45.5	Very low	53.4	Low	44 Å²	44	121.9 Å²	121.9	45%	0.454	64%	0.643	S	S	.	*			trans	-45.5	155.9	172.3	0	0	0	0	0	112	K161 V165	K161-G163 VanDerWaalsContact C-N 3.25Å; K161-G163 PolarHBondContact O-N 3.35Å; G163-V165 PolarHBondContact O-N 3.07Å
164	P	40.9	Very low	50.7	Low	136 Å²	136	126 Å²	126	88%	0.883	66%	0.661	S	S	*	*			trans	-47.2	104.8	-156.9	21.1	-33.2	0	0	0	111	K166	P164-K166 PolarHBondContact O-N 3.46Å
165	V	44	Very low	48.2	Very low	107 Å²	107	129.4 Å²	129.4	65%	0.648	68%	0.682	S	S	*	*			trans	-64	104.9	175.8	178.5	0	0	0	0	106	G163	G163-V165 PolarHBondContact O-N 3.07Å
166	K	41.4	Very low	45.8	Very low	186 Å²	186	128.3 Å²	128.3	81%	0.809	69%	0.692	S	S	*	*			trans	-44	124.4	163.3	-125.3	178.8	-177.2	175.9	0	106	P164 E168	P164-K166 PolarHBondContact O-N 3.46Å; K166-E168 PolarHBondContact O-N 2.94Å
167	P	35.9	Very low	43.7	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	70%	0.704	S	S	*	*			trans	-57.2	112.9	-180	-12.4	20.1	0	0	0	107.5	V169	P167-V169 PolarHBondContact O-N 3.37Å
168	E	34.2	Very low	41.6	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	73%	0.727	S	S	*	*			trans	-58.3	109.4	171.4	-124.3	178	169.3	0	0	105.8	K166 L170	K166-E168 PolarHBondContact O-N 2.94Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 2.88Å
169	V	38.6	Very low	39.5	Very low	132 Å²	132	136.8 Å²	136.8	80%	0.8	73%	0.73	S	S	*	*			trans	-59.7	99.9	173	174.5	0	0	0	0	105.7	P167 S171	P167-V169 PolarHBondContact O-N 3.37Å; V169-S171 VanDerWaalsContact C-N 3.32Å; V169-S171 PolarHBondContact O-N 3.29Å
170	L	32.8	Very low	37.7	Very low	153 Å²	153	137 Å²	137	80%	0.801	74%	0.735	S	S	*	*			trans	-56.6	102.6	167.1	-74.5	173.3	0	0	0	107.2	E168 I172	E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 PolarHBondContact O-N 2.88Å; L170-I172 VanDerWaalsContact C-N 3.26Å; L170-I172 PolarHBondContact O-N 3.44Å
171	S	36.4	Very low	36.3	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	74%	0.738	S	S	*	*			trans	-66.5	87.6	171.2	42	0	0	0	0	108.7	V169 Q173	V169-S171 VanDerWaalsContact C-N 3.32Å; V169-S171 PolarHBondContact O-N 3.29Å; S171-Q173 PolarHBondContact O-N 3.48Å
172	I	34.6	Very low	35.1	Very low	142 Å²	142	143.9 Å²	143.9	73%	0.728	75%	0.751	S	S	*	*			trans	-65.1	101.2	167.9	-59.4	174.7	0	0	0	107.2	L170 L174	L170-I172 VanDerWaalsContact C-N 3.26Å; L170-I172 PolarHBondContact O-N 3.44Å; I172-L174 HydrophobicContact CG2-CG 4.12Å; I172-L174 PolarHBondContact O-N 2.77Å; I172-L174 VanDerWaalsContact O-N 3.09Å
173	Q	32	Very low	34	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	75%	0.754	S	S	*	*			trans	-70.9	93.9	167.5	-73	-173.1	-6.5	0	0	109.4	S171 S175	S171-Q173 PolarHBondContact O-N 3.48Å; Q173-S175 PolarHBondContact O-N 2.93Å
174	L	28	Very low	33.2	Very low	165 Å²	165	149.7 Å²	149.7	86%	0.864	77%	0.77	S	S	*	*			trans	-80.1	92.3	164.3	-81.7	164.6	0	0	0	109.4	I172 G176	I172-L174 HydrophobicContact CG2-CG 4.12Å; I172-L174 PolarHBondContact O-N 2.77Å; I172-L174 VanDerWaalsContact O-N 3.09Å; L174-G176 PolarHBondContact O-N 2.9Å
175	S	28.6	Very low	32.8	Very low	122 Å²	122	153.3 Å²	153.3	85%	0.853	77%	0.766	S	S	*	*			trans	-75.1	97.6	171.4	-173.1	0	0	0	0	111.3	Q173	Q173-S175 PolarHBondContact O-N 2.93Å
176	G	27.8	Very low	32.1	Very low	59 Å²	59	155.3 Å²	155.3	61%	0.608	77%	0.773	S	S	*	*				70.4	117.6	117.9	0	0	0	0	0	122.7	L174	L174-G176 PolarHBondContact O-N 2.9Å
177	R	32.1	Very low	31.6	Very low	205 Å²	205	154 Å²	154	77%	0.774	78%	0.775	S	S	*	*			trans	86.3	138	139.2	-65.8	-171.4	162.9	-163	0.4	117.9
178	R	31.1	Very low	31.2	Very low	193 Å²	193	153.4 Å²	153.4	73%	0.728	77%	0.774	S	S	*	*			cis	-169.8	162.6	8.6	-114.7	169.6	-177.5	-162.2	-5.8	110.9
179	S	27.5	Very low	31.1	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	78%	0.775	S	S	*	*			trans	91.3	131.3	147.9	-153	0	0	0	0	117.7
180	N	27.9	Very low	30.6	Very low	125 Å²	125	151.9 Å²	151.9	67%	0.668	78%	0.775	S	S	*	*			cis	-168.5	146.7	-2.8	-112.2	-26.1	0	0	0	111.8
181	R	32.2	Very low	31.1	Very low	214 Å²	214	149.2 Å²	149.2	81%	0.808	77%	0.766	S	S	*	*			trans	66	126.9	142.5	-67.8	-178.2	-168.6	-174.8	2.4	124.5
182	R	33.1	Very low	30.8	Very low	219 Å²	219	151.4 Å²	151.4	83%	0.826	77%	0.77	S	S	*	*				98.3	108.3	128.3	-94.2	-171.8	170.5	-162.9	-2.3	121.2
183	L	29.9	Very low	30.8	Very low	136 Å²	136	152.3 Å²	152.3	71%	0.712	78%	0.776	S	S	*	*				59.5	124.3	126.6	-67.6	170.7	0	0	0	122.5
184	Q	28.5	Very low	30.9	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	77%	0.772	S	S	*	*			trans	74.3	109.5	135.9	-81.1	-167.2	-8	0	0	121.7
185	R	32.7	Very low	31.3	Very low	212 Å²	212	149 Å²	149	80%	0.8	77%	0.771	S	S	*	*				62	117.2	118.8	-152.6	-178.4	161.5	147.3	-1.6	117.3
186	N	29.6	Very low	31.9	Very low	149 Å²	149	151.2 Å²	151.2	80%	0.797	77%	0.772	S	S	*	*				-172.9	141.5	115.1	-82.9	-22	0	0	0	112.3
187	N	30.2	Very low	32.2	Very low	160 Å²	160	152.9 Å²	152.9	86%	0.856	77%	0.774	S	S	*	*			trans	-69.5	152	176.7	-75.1	-16.9	0	0	0	112.5
188	S	28.1	Very low	32.3	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	78%	0.777	S	S	*	*			trans	-154.8	111.8	139.6	57	0	0	0	0	112.6
189	L	31.2	Very low	32.5	Very low	166 Å²	166	146.4 Å²	146.4	87%	0.869	77%	0.773	S	S	*	*			trans	66.9	99.9	133.1	-53.8	170.5	0	0	0	120.3
190	S	29.4	Very low	32.9	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	78%	0.777	S	S	*	*				25.1	168.6	119.3	-124	0	0	0	0	121.7
191	P	42.2	Very low	33.2	Very low	96 Å²	96	148.9 Å²	148.9	62%	0.623	79%	0.788	S	S	*	*			cis	-137.2	164.1	-9	27.7	-5.1	0	0	0	115.1
192	N	29.3	Very low	33.4	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	78%	0.781	S	S	*	*			trans	139.6	78.4	143.9	-70.3	-14.8	0	0	0	113.1
193	N	35.5	Very low	34.2	Very low	161 Å²	161	137.2 Å²	137.2	86%	0.861	78%	0.778	S	S	*	*			trans	-132.2	113	142.9	-104.6	-42.6	0	0	0	106.5	L195	N193-L195 PolarHBondContact O-N 3.49Å
194	P	34.8	Very low	35.2	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	78%	0.78	S	S	*	*			trans	-73.2	125.2	174.8	29.9	-28.2	0	0	0	108.7
195	L	35.4	Very low	36.3	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	77%	0.774	S	S	*	*			trans	78.4	77.5	154.4	-56.2	175.8	0	0	0	117.8	N193	N193-L195 PolarHBondContact O-N 3.49Å
196	L	41.3	Very low	37.3	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	77%	0.771	S	S	*	*				-63.4	155.9	124.5	-80.8	171.3	0	0	0	110.9
197	S	33.5	Very low	38.6	Very low	94 Å²	94	133.4 Å²	133.4	66%	0.657	76%	0.761	S	S	*	*			trans	109.7	109.8	139.2	-158.1	0	0	0	0	116.1
198	L	35.2	Very low	40	Very low	157 Å²	157	128.9 Å²	128.9	82%	0.822	74%	0.741	S	S	*	*				-172	98	90.7	-146.9	61.2	0	0	0	108.6
199	V	34.3	Very low	42	Very low	106 Å²	106	130.4 Å²	130.4	64%	0.642	74%	0.736	S	S	*	*				83.8	121.7	93.5	174.3	0	0	0	0	114.2
200	N	37	Very low	43.8	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	73%	0.728	S	S	*	*			trans	60.9	101.7	151.8	-66	13.9	0	0	0	120.6
201	S	33.3	Very low	46.2	Very low	127 Å²	127	129.5 Å²	129.5	89%	0.888	71%	0.712	S	S	*	*				-164.1	111.3	122.7	-126.4	0	0	0	0	105.7
202	G	37.3	Very low	48.2	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	71%	0.71	S	S	*	*				77.5	98.2	95.2	0	0	0	0	0	110.8
203	V	48.9	Very low	50.6	Low	124 Å²	124	126.4 Å²	126.4	75%	0.752	69%	0.691	S	S	*	*	S	Bend	trans	69.9	127.6	157.9	-154.1	0	0	0	0	116
204	Y	50.6	Low	53	Low	197 Å²	197	122.9 Å²	122.9	77%	0.773	68%	0.675	S	S	*	*			trans	74.9	96.3	178.2	-60.9	-88.3	0	0	0	117
205	D	53.3	Low	55.4	Low	119 Å²	119	121.6 Å²	121.6	64%	0.636	66%	0.662	S	S	*	*			trans	-159.8	28.5	158.4	-146	37.8	0	0	0	116.3	C208	D205-C208 WeakPolarHBondContact OD1-CB 3.31Å; D205-C208 PolarHBondContact OD1-SG 2.83Å
206	E	53.6	Low	58	Low	159 Å²	159	121 Å²	121	74%	0.743	65%	0.649	S	S	*	*	S	Bend	trans	-84.5	-33.6	162.9	-82.1	-172.3	161	0	0	111	C208 Q209	E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.32Å; E206-Q209 PolarHBondContact O-N 2.8Å
207	D	55.2	Low	60	Low	109 Å²	109	117.8 Å²	117.8	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-31.7	179.8	-69	-36.5	0	0	0	112.8	T211	D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 2.92Å; D207-T211 PolarHBondContact O-OG1 3.23Å
208	C	61.2	Low	62.4	Low	65 Å²	65	117.7 Å²	117.7	44%	0.439	62%	0.621	S	S	.	*	H	α-helix	trans	-72.3	-31.4	179.3	-63.8	0	0	0	0	112.5	D205 E206 T211 V212	D205-C208 WeakPolarHBondContact OD1-CB 3.31Å; D205-C208 PolarHBondContact OD1-SG 2.83Å; E206-C208 VanDerWaalsContact C-N 3.29Å; E206-C208 PolarHBondContact O-N 3.32Å; C208-T211 PolarHBondContact O-N 3.03Å; C208-V212 WeakPolarHBondContact O-CB 3.38Å; C208-V212 WeakPolarHBondContact O-CG2 3.18Å; C208-V212 PolarHBondContact O-N 3.07Å
209	Q	70.4	Confident	64.6	Low	137 Å²	137	117 Å²	117	64%	0.64	61%	0.611	S	S	*	*	H	α-helix	trans	-67.4	-40.9	176.9	-169.2	175.9	11.8	0	0	111.3	E206 V212 Q213	E206-Q209 PolarHBondContact O-N 2.8Å; Q209-V212 PolarHBondContact O-N 3.09Å; Q209-Q213 PolarHBondContact O-N 2.9Å; Q209-Q213 VanDerWaalsContact O-N 3.09Å
210	W	68.3	Low	66.7	Low	184 Å²	184	115.2 Å²	115.2	70%	0.697	60%	0.598	S	S	*	*	H	α-helix	trans	-65	-44.3	171.9	-74	105.9	0	0	0	111.7	V212 Q213 V214	W210-V212 VanDerWaalsContact C-N 3.26Å; W210-V212 PolarHBondContact O-N 3.43Å; W210-Q213 PolarHBondContact O-N 3.25Å; W210-Q213 VanDerWaalsContact O-N 3.11Å; W210-V214 VanDerWaalsContact O-CG2 3.31Å; W210-V214 WeakPolarHBondContact O-CG2 3.37Å; W210-V214 PolarHBondContact O-N 3.37Å
211	T	80.4	Confident	68.8	Low	75 Å²	75	111.6 Å²	111.6	46%	0.46	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-36.3	176.9	-53.6	0	0	0	0	111.6	D207 C208 N215	D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 2.92Å; D207-T211 PolarHBondContact O-OG1 3.23Å; C208-T211 PolarHBondContact O-N 3.03Å; T211-N215 VanDerWaalsContact O-CB 3.27Å; T211-N215 WeakPolarHBondContact O-CB 3.46Å; T211-N215 VanDerWaalsContact O-CG 3.26Å; T211-N215 PolarHBondContact O-N 3.32Å; T211-N215 PolarHBondContact O-ND2 3.28Å
212	V	83.3	Confident	71	Confident	96 Å²	96	108.1 Å²	108.1	58%	0.582	55%	0.549	S	S	*	.	H	α-helix	trans	-68.7	-39.5	175	169.3	0	0	0	0	111.8	C208 Q209 W210 R216	C208-V212 WeakPolarHBondContact O-CB 3.38Å; C208-V212 WeakPolarHBondContact O-CG2 3.18Å; C208-V212 PolarHBondContact O-N 3.07Å; Q209-V212 PolarHBondContact O-N 3.09Å; W210-V212 VanDerWaalsContact C-N 3.26Å; W210-V212 PolarHBondContact O-N 3.43Å; V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 3.46Å
213	Q	80.4	Confident	72.9	Confident	85 Å²	85	113.3 Å²	113.3	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-69.6	-41.8	176.1	-75.1	-65.7	-15.7	0	0	112.5	Q209 W210 R216 L217	Q209-Q213 PolarHBondContact O-N 2.9Å; Q209-Q213 VanDerWaalsContact O-N 3.09Å; W210-Q213 PolarHBondContact O-N 3.25Å; W210-Q213 VanDerWaalsContact O-N 3.11Å; Q213-R216 WeakPolarHBondContact O-CB 3.32Å; Q213-R216 PolarHBondContact O-N 2.97Å; Q213-L217 WeakPolarHBondContact O-CG 3.08Å; Q213-L217 PolarHBondContact O-N 2.88Å
214	V	85.5	Confident	73.6	Confident	86 Å²	86	112.9 Å²	112.9	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-61.4	-46.1	175	172.1	0	0	0	0	110.2	W210 R216 L217 Q218	W210-V214 VanDerWaalsContact O-CG2 3.31Å; W210-V214 WeakPolarHBondContact O-CG2 3.37Å; W210-V214 PolarHBondContact O-N 3.37Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.07Å; V214-L217 PolarHBondContact O-N 3.16Å; V214-Q218 WeakPolarHBondContact O-CB 3.32Å; V214-Q218 PolarHBondContact O-N 3.25Å
215	N	85.8	Confident	74.6	Confident	88 Å²	88	110.5 Å²	110.5	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-64.9	-32.2	175.9	-78.4	-48	0	0	0	113.2	T211 K219	T211-N215 VanDerWaalsContact O-CB 3.27Å; T211-N215 WeakPolarHBondContact O-CB 3.46Å; T211-N215 VanDerWaalsContact O-CG 3.26Å; T211-N215 PolarHBondContact O-N 3.32Å; T211-N215 PolarHBondContact O-ND2 3.28Å; N215-K219 WeakPolarHBondContact O-CG 3.48Å; N215-K219 PolarHBondContact O-N 3.17Å; N215-K219 VanDerWaalsContact O-N 3.09Å
216	R	89.4	Confident	75	Confident	152 Å²	152	112.6 Å²	112.6	57%	0.574	54%	0.543	S	S	*	.	H	α-helix	trans	-68	-42.6	173.8	178.1	-177.7	169.7	-172.2	-3.7	111.4	V212 Q213 V214 K219 L220	V212-R216 WeakPolarHBondContact O-CB 3.44Å; V212-R216 PolarHBondContact O-N 3.46Å; Q213-R216 WeakPolarHBondContact O-CB 3.32Å; Q213-R216 PolarHBondContact O-N 2.97Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.07Å; R216-K219 PolarHBondContact O-N 3.14Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 2.94Å; R216-L220 VanDerWaalsContact O-N 3.14Å
217	L	83.4	Confident	74.9	Confident	99 Å²	99	112.2 Å²	112.2	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-43.3	176.8	-72.1	170.1	0	0	0	111.1	Q213 V214 K219 L220 I221	Q213-L217 WeakPolarHBondContact O-CG 3.08Å; Q213-L217 PolarHBondContact O-N 2.88Å; V214-L217 PolarHBondContact O-N 3.16Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 2.83Å; L217-L220 WeakPolarHBondContact O-CA 3.27Å; L217-L220 WeakPolarHBondContact O-CB 3.31Å; L217-L220 PolarHBondContact O-N 3.38Å; L217-I221 WeakPolarHBondContact O-CG1 3.14Å; L217-I221 PolarHBondContact O-N 2.8Å
218	Q	84.3	Confident	74.3	Confident	91 Å²	91	113.7 Å²	113.7	43%	0.425	54%	0.543	S	S	.	.	H	α-helix	trans	-56.4	-45.8	174.3	-168.4	63.5	54.2	0	0	111	V214 L220 I221 D222	V214-Q218 WeakPolarHBondContact O-CB 3.32Å; V214-Q218 PolarHBondContact O-N 3.25Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.03Å; Q218-I221 PolarHBondContact O-N 3.2Å; Q218-D222 PolarHBondContact NE2-OD1 3.41Å; Q218-D222 WeakPolarHBondContact O-CB 3.31Å; Q218-D222 PolarHBondContact O-N 2.8Å
219	K	81.1	Confident	73.6	Confident	143 Å²	143	116.5 Å²	116.5	62%	0.622	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-27.5	174.7	-75.9	178.1	-178.5	-179	0	114.3	N215 R216 L217 R223	N215-K219 WeakPolarHBondContact O-CG 3.48Å; N215-K219 PolarHBondContact O-N 3.17Å; N215-K219 VanDerWaalsContact O-N 3.09Å; R216-K219 PolarHBondContact O-N 3.14Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 2.83Å; K219-R223 VanDerWaalsContact O-CB 3.31Å; K219-R223 WeakPolarHBondContact O-CB 3.5Å; K219-R223 WeakPolarHBondContact O-CD 3.32Å; K219-R223 WeakPolarHBondContact O-CG 3.38Å; K219-R223 PolarHBondContact O-N 3.14Å
220	L	78.4	Confident	72.4	Confident	69 Å²	69	117.9 Å²	117.9	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-78.2	-38.9	174.9	-72.7	172	0	0	0	111.1	R216 L217 Q218 R223 L224	R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 2.94Å; R216-L220 VanDerWaalsContact O-N 3.14Å; L217-L220 WeakPolarHBondContact O-CA 3.27Å; L217-L220 WeakPolarHBondContact O-CB 3.31Å; L217-L220 PolarHBondContact O-N 3.38Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.03Å; L220-R223 PolarHBondContact O-N 3.24Å; L220-L224 WeakPolarHBondContact O-CB 3.43Å; L220-L224 VanDerWaalsContact O-CG 3.27Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 2.81Å
221	I	81.3	Confident	71.1	Confident	74 Å²	74	117.3 Å²	117.3	38%	0.379	56%	0.558	S	S	.	*	H	α-helix	trans	-63.7	-51.6	173.8	-67.3	166.1	0	0	0	109.6	L217 Q218 R223 L224 E225	L217-I221 WeakPolarHBondContact O-CG1 3.14Å; L217-I221 PolarHBondContact O-N 2.8Å; Q218-I221 PolarHBondContact O-N 3.2Å; I221-R223 PolarHBondContact O-N 3.15Å; I221-L224 CarbonylContact O-C 3.6Å; I221-L224 WeakPolarHBondContact O-CA 3.38Å; I221-L224 WeakPolarHBondContact O-CB 3.39Å; I221-L224 PolarHBondContact O-N 3.25Å; I221-E225 HydrophobicContact CG2-CG 4.05Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.31Å; I221-E225 WeakPolarHBondContact O-CB 3.13Å; I221-E225 WeakPolarHBondContact O-CG 3.43Å; I221-E225 PolarHBondContact O-N 3.37Å
222	D	79.7	Confident	69.2	Low	54 Å²	54	119.5 Å²	119.5	29%	0.289	56%	0.563	S	S	.	*	H	α-helix	trans	-57.2	-37.5	177.7	-60.1	-14.6	0	0	0	111.1	Q218 Q226	Q218-D222 PolarHBondContact NE2-OD1 3.41Å; Q218-D222 WeakPolarHBondContact O-CB 3.31Å; Q218-D222 PolarHBondContact O-N 2.8Å; D222-Q226 WeakPolarHBondContact O-CB 3.35Å; D222-Q226 WeakPolarHBondContact O-CG 3.24Å; D222-Q226 PolarHBondContact O-N 3.4Å
223	R	77.1	Confident	67.2	Low	173 Å²	173	120.6 Å²	120.6	65%	0.653	57%	0.573	S	S	*	*	H	α-helix	trans	-69.8	-28.8	174.5	-81.6	179.1	66.8	-149.9	-2.7	113.8	K219 L220 I221 K227	K219-R223 VanDerWaalsContact O-CB 3.31Å; K219-R223 WeakPolarHBondContact O-CB 3.5Å; K219-R223 WeakPolarHBondContact O-CD 3.32Å; K219-R223 WeakPolarHBondContact O-CG 3.38Å; K219-R223 PolarHBondContact O-N 3.14Å; L220-R223 PolarHBondContact O-N 3.24Å; I221-R223 PolarHBondContact O-N 3.15Å; R223-K227 WeakPolarHBondContact O-CB 3.46Å; R223-K227 PolarHBondContact O-N 3.35Å
224	L	63	Low	65.4	Low	115 Å²	115	122.9 Å²	122.9	60%	0.602	59%	0.592	S	S	*	*	H	α-helix	trans	-82.8	-39.1	176.3	-73.9	169.2	0	0	0	110.8	L220 I221 K227	L220-L224 WeakPolarHBondContact O-CB 3.43Å; L220-L224 VanDerWaalsContact O-CG 3.27Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 2.81Å; I221-L224 CarbonylContact O-C 3.6Å; I221-L224 WeakPolarHBondContact O-CA 3.38Å; I221-L224 WeakPolarHBondContact O-CB 3.39Å; I221-L224 PolarHBondContact O-N 3.25Å; L224-K227 CarbonylContact O-C 3.56Å; L224-K227 PolarHBondContact O-N 3.39Å
225	E	71.2	Confident	63.7	Low	147 Å²	147	127.6 Å²	127.6	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-69	-37.6	176	-72.5	-179.1	171.5	0	0	112	I221 K227	I221-E225 HydrophobicContact CG2-CG 4.05Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.31Å; I221-E225 WeakPolarHBondContact O-CB 3.13Å; I221-E225 WeakPolarHBondContact O-CG 3.43Å; I221-E225 PolarHBondContact O-N 3.37Å; E225-K227 VanDerWaalsContact C-N 3.35Å
226	Q	61.5	Low	61.8	Low	164 Å²	164	129.8 Å²	129.8	77%	0.766	62%	0.616	S	S	*	*	S	Bend	trans	-79.7	-18.4	174.9	-74.9	162.4	5.5	0	0	113.2	D222 E228	D222-Q226 WeakPolarHBondContact O-CB 3.35Å; D222-Q226 WeakPolarHBondContact O-CG 3.24Å; D222-Q226 PolarHBondContact O-N 3.4Å; Q226-E228 PolarHBondContact O-N 3.25Å
227	K	53.1	Low	59.5	Low	150 Å²	150	130.8 Å²	130.8	65%	0.652	63%	0.627	S	S	*	*	S	Bend	trans	-90.6	83	172.6	-161.7	179.7	-170.6	-168.9	0	107.3	R223 L224 E225 I229	R223-K227 WeakPolarHBondContact O-CB 3.46Å; R223-K227 PolarHBondContact O-N 3.35Å; L224-K227 CarbonylContact O-C 3.56Å; L224-K227 PolarHBondContact O-N 3.39Å; E225-K227 VanDerWaalsContact C-N 3.35Å; K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 WeakPolarHBondContact O-CG1 3.27Å; K227-I229 PolarHBondContact O-N 2.96Å
228	E	41.2	Very low	57.7	Low	141 Å²	141	132 Å²	132	66%	0.659	64%	0.638	S	S	*	*			trans	-44.9	105	159.9	-168.3	-179.9	-130.6	0	0	106.5	Q226 R230	Q226-E228 PolarHBondContact O-N 3.25Å; E228-R230 HydrophobicContact CG-CG 4.17Å; E228-R230 PolarHBondContact O-N 2.87Å; E228-R230 IonicContact OE2-NE 2.63Å; E228-R230 PolarHBondContact OE2-NE 3.39Å; E228-R230 VanDerWaalsContact OE2-NE 3.1Å
229	I	46.2	Very low	55.8	Low	124 Å²	124	134.1 Å²	134.1	64%	0.636	65%	0.652	S	S	*	*			trans	-73	80	178.3	-54.9	176.5	0	0	0	104.7	K227 M231	K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 WeakPolarHBondContact O-CG1 3.27Å; K227-I229 PolarHBondContact O-N 2.96Å; I229-M231 HydrophobicContact CG2-CG 4.07Å; I229-M231 HydrophobicContact CG2-SD 4.35Å; I229-M231 PolarHBondContact O-N 2.97Å
230	R	45.4	Very low	54	Low	166 Å²	166	135.4 Å²	135.4	63%	0.626	66%	0.66	S	S	*	*			trans	-64.8	94.1	164.9	-74.8	-175	158.5	-136.6	-2.9	106.1	E228 E232	E228-R230 HydrophobicContact CG-CG 4.17Å; E228-R230 PolarHBondContact O-N 2.87Å; E228-R230 IonicContact OE2-NE 2.63Å; E228-R230 PolarHBondContact OE2-NE 3.39Å; E228-R230 VanDerWaalsContact OE2-NE 3.1Å; R230-E232 HydrophobicContact CB-CG 4.31Å; R230-E232 IonicContact CZ-OE1 3.43Å; R230-E232 IonicContact NH1-OE1 2.7Å; R230-E232 PolarHBondContact NH1-OE1 3.17Å; R230-E232 PolarHBondContact O-N 2.89Å
231	M	41.8	Very low	52.9	Low	172 Å²	172	137.7 Å²	137.7	85%	0.847	68%	0.682	S	S	*	*			trans	-69.1	62.4	161.4	-67.3	-83	-75.1	0	0	107.5	I229	I229-M231 HydrophobicContact CG2-CG 4.07Å; I229-M231 HydrophobicContact CG2-SD 4.35Å; I229-M231 PolarHBondContact O-N 2.97Å
232	E	41	Very low	51.7	Low	121 Å²	121	139.1 Å²	139.1	57%	0.565	69%	0.685	S	S	*	*			trans	-74.2	132.7	159.1	-71.6	177.5	-161.5	0	0	105.3	R230 V234	R230-E232 HydrophobicContact CB-CG 4.31Å; R230-E232 IonicContact CZ-OE1 3.43Å; R230-E232 IonicContact NH1-OE1 2.7Å; R230-E232 PolarHBondContact NH1-OE1 3.17Å; R230-E232 PolarHBondContact O-N 2.89Å; E232-V234 PolarHBondContact O-N 2.75Å
233	P	40.3	Very low	51.2	Low	119 Å²	119	138.6 Å²	138.6	77%	0.773	69%	0.685	S	S	*	*			trans	-48.8	121.6	172.3	-21.3	30.5	0	0	0	106.9	E235	P233-E235 PolarHBondContact O-N 3.36Å
234	V	43.6	Very low	51.4	Low	133 Å²	133	133.9 Å²	133.9	81%	0.806	67%	0.671	S	S	*	*			trans	-55.1	111.3	171.8	167.2	0	0	0	0	105.1	E232 E236	E232-V234 PolarHBondContact O-N 2.75Å; V234-E236 PolarHBondContact O-N 2.83Å
235	E	49.2	Very low	52.6	Low	185 Å²	185	131 Å²	131	86%	0.864	66%	0.655	S	S	*	*			trans	-55.3	102.9	165.8	-81.3	-174.6	159.3	0	0	105.3	P233 E237	P233-E235 PolarHBondContact O-N 3.36Å; E235-E237 PolarHBondContact O-N 3.31Å
236	E	45.8	Very low	53.6	Low	133 Å²	133	124.1 Å²	124.1	62%	0.621	62%	0.623	S	S	*	*			trans	-59.9	104.6	-179.2	-171.6	174.6	-156.3	0	0	106.2	V234 V238 K242	V234-E236 PolarHBondContact O-N 2.83Å; E236-V238 PolarHBondContact O-N 2.83Å; E236-K242 IonicContact OE1-NZ 3.24Å; E236-K242 PolarHBondContact OE1-NZ 3.24Å
237	E	40.2	Very low	55.2	Low	174 Å²	174	118.2 Å²	118.2	81%	0.813	60%	0.596	S	S	*	*			trans	-52.3	112.7	166.8	-78.8	-168.4	165.1	0	0	106.2	E235 L239	E235-E237 PolarHBondContact O-N 3.31Å; E237-L239 PolarHBondContact O-N 2.83Å
238	V	46.5	Very low	57.2	Low	125 Å²	125	111 Å²	111	76%	0.758	57%	0.565	S	S	*	*			trans	-62.9	82.6	177.4	178.4	0	0	0	0	106.9	E236 E240	E236-V238 PolarHBondContact O-N 2.83Å; V238-E240 HydrophobicContact CG1-CG 4.06Å; V238-E240 PolarHBondContact O-N 2.84Å
239	L	43.6	Very low	59.8	Low	134 Å²	134	107.3 Å²	107.3	70%	0.702	55%	0.548	S	S	*	.			trans	-77	90.3	163.9	-149.1	81.6	0	0	0	105.6	E237 S241	E237-L239 PolarHBondContact O-N 2.83Å; L239-S241 PolarHBondContact O-N 2.91Å
240	E	44.8	Very low	62.1	Low	170 Å²	170	101.4 Å²	101.4	79%	0.794	52%	0.518	S	S	*	.	S	Bend	trans	-46.4	122.1	168.6	-66.9	-179.5	151.8	0	0	108.7	V238	V238-E240 HydrophobicContact CG1-CG 4.06Å; V238-E240 PolarHBondContact O-N 2.84Å
241	S	53.5	Low	64.4	Low	117 Å²	117	96.1 Å²	96.1	82%	0.818	50%	0.5	S	S	*	.			trans	96.2	50.4	-180	-34.6	0	0	0	0	116.9	L239 S243	L239-S241 PolarHBondContact O-N 2.91Å; S241-S243 PolarHBondContact O-N 3.2Å
242	K	57.2	Low	66.9	Low	105 Å²	105	87.9 Å²	87.9	46%	0.457	46%	0.46	S	S	.	.			trans	-72.3	108.2	157.4	-69.8	-176.5	-176.1	-172.2	0	108.8	E236 H244	E236-K242 IonicContact OE1-NZ 3.24Å; E236-K242 PolarHBondContact OE1-NZ 3.24Å; K242-H244 WeakPolarHBondContact CB-CE1 3.5Å; K242-H244 PolarHBondContact O-CE1 2.82Å; K242-H244 VanDerWaalsContact O-CE1 3.24Å; K242-H244 PolarHBondContact O-N 2.96Å; K242-H244 PolarHBondContact O-ND1 3.3Å
243	S	70	Confident	69.5	Low	42 Å²	42	83.2 Å²	83.2	29%	0.294	44%	0.44	S	S	.	.			trans	-62.5	131.9	163.7	9.5	0	0	0	0	107.5	S241 G338	S241-S243 PolarHBondContact O-N 3.2Å; S243-G338 CarbonylContact C-O 3.59Å; S243-G338 WeakPolarHBondContact CB-O 3.26Å; S243-G338 PolarHBondContact O-N 3.23Å; S243-G338 PolarHBondContact OG-O 3.19Å
244	H	79.8	Confident	72	Confident	74 Å²	74	77.7 Å²	77.7	34%	0.343	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.3	176.6	-60.6	94.5	0	0	0	107.6	K242 V336	K242-H244 WeakPolarHBondContact CB-CE1 3.5Å; K242-H244 PolarHBondContact O-CE1 2.82Å; K242-H244 VanDerWaalsContact O-CE1 3.24Å; K242-H244 PolarHBondContact O-N 2.96Å; K242-H244 PolarHBondContact O-ND1 3.3Å; H244-V336 CarbonylContact C-O 3.5Å; H244-V336 WeakPolarHBondContact CA-O 3.45Å
245	I	88.8	Confident	74.3	Confident	54 Å²	54	74.4 Å²	74.4	28%	0.277	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.3	172.6	-64	169.3	0	0	0	107.2	L280 V336	I245-L280 HydrophobicContact CB-CD1 4.43Å; I245-L280 HydrophobicContact CD1-CD1 3.9Å; I245-L280 HydrophobicContact CG1-CD1 3.86Å; I245-L280 HydrophobicContact CG2-CD1 3.76Å; I245-V336 PolarHBondContact N-O 2.93Å; I245-V336 PolarHBondContact O-N 2.87Å
246	L	91.9	Very high	76.2	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.2	171.5	-179	78.3	0	0	0	109.1	V248 W299 W305 L335	L246-V248 HydrophobicContact CD2-CG2 3.67Å; L246-V248 HydrophobicContact CG-CG2 3.92Å; L246-W299 HydrophobicContact CB-CB 4.23Å; L246-W299 HydrophobicContact CD2-CB 4.36Å; L246-W299 PolarHBondContact N-O 2.87Å; L246-W299 PolarHBondContact O-N 2.88Å; L246-W305 HydrophobicContact CD2-CB 3.64Å; L246-W305 HydrophobicContact CD2-CD2 3.92Å; L246-W305 HydrophobicContact CD2-CE3 3.83Å; L246-W305 HydrophobicContact CD2-CG 3.87Å; L246-L335 HydrophobicContact CB-CD2 4.29Å; L246-L335 HydrophobicContact CD1-CD2 3.77Å; L246-L335 HydrophobicContact CD1-CG 4.44Å
247	I	94.3	Very high	78.3	Confident	39 Å²	39	75.5 Å²	75.5	20%	0.2	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128	168.8	-53.7	-179.2	0	0	0	107.5	F298 T333 M334 V336	I247-F298 HydrophobicContact CD1-CD1 4.17Å; I247-F298 HydrophobicContact CD1-CE1 3.78Å; I247-F298 HydrophobicContact CG1-CD1 3.81Å; I247-F298 HydrophobicContact CG1-CE1 3.89Å; I247-F298 HydrophobicContact CG2-CE1 4.21Å; I247-T333 CarbonylContact O-C 3.54Å; I247-T333 VanDerWaalsContact O-CA 3.31Å; I247-T333 WeakPolarHBondContact O-CA 3.48Å; I247-M334 PolarHBondContact N-O 2.91Å; I247-M334 PolarHBondContact O-N 2.7Å; I247-V336 HydrophobicContact CD1-CB 4.4Å; I247-V336 HydrophobicContact CD1-CG2 3.54Å; I247-V336 HydrophobicContact CG1-CG2 4.14Å
248	V	95.4	Very high	80.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.3	175.8	-174.8	0	0	0	0	107.6	L246 R250 Y296 E297 W305 I331 T333	L246-V248 HydrophobicContact CD2-CG2 3.67Å; L246-V248 HydrophobicContact CG-CG2 3.92Å; V248-R250 HydrophobicContact CG1-CG 4.07Å; V248-Y296 WeakPolarHBondContact O-CA 3.47Å; V248-E297 HydrophobicContact CB-CB 4.29Å; V248-E297 PolarHBondContact N-O 2.92Å; V248-E297 PolarHBondContact O-N 2.84Å; V248-W305 HydrophobicContact CG1-CZ2 3.86Å; V248-W305 HydrophobicContact CG2-CD2 3.95Å; V248-W305 HydrophobicContact CG2-CG 4.05Å; V248-W305 HydrophobicContact CG2-CZ2 4.24Å; V248-I331 HydrophobicContact CG1-CG2 3.8Å; V248-T333 HydrophobicContact CG1-CG2 4.3Å; V248-T333 HydrophobicContact CG2-CG2 4.17Å
249	Q	96.3	Very high	82.9	Confident	62 Å²	62	65.6 Å²	65.6	29%	0.29	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.8	174.2	-175.3	-178.2	13.5	0	0	108.5	I294 L295 Y296 I331 T332	Q249-I294 HydrophobicContact CG-CG2 3.73Å; Q249-L295 CarbonylContact C-O 3.56Å; Q249-L295 WeakPolarHBondContact CA-O 3.29Å; Q249-Y296 HydrophobicContact CB-CD1 4.2Å; Q249-Y296 HydrophobicContact CB-CE1 4.18Å; Q249-Y296 HydrophobicContact CG-CD1 4.04Å; Q249-Y296 HydrophobicContact CG-CE1 3.65Å; Q249-Y296 PolarHBondContact NE2-OH 2.86Å; Q249-I331 CarbonylContact O-C 3.57Å; Q249-I331 WeakPolarHBondContact O-CA 3.32Å; Q249-T332 PolarHBondContact N-O 3.4Å; Q249-T332 PolarHBondContact O-N 3.29Å
250	R	94.9	Very high	85.1	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.2	176.1	-55	175	62.3	-176	0.9	109.1	V248 Y269 I294 L295 E297 E329 S330 I331	V248-R250 HydrophobicContact CG1-CG 4.07Å; R250-Y269 PolarHBondContact NH1-OH 2.92Å; R250-I294 CarbonylContact O-C 3.59Å; R250-I294 WeakPolarHBondContact O-CA 3.35Å; R250-L295 HydrophobicContact CB-CB 4.23Å; R250-L295 PolarHBondContact N-O 3.23Å; R250-L295 PolarHBondContact O-N 3.17Å; R250-E297 WeakPolarHBondContact CD-OE1 3.31Å; R250-E297 IonicContact NH1-OE1 2.53Å; R250-E297 PolarHBondContact NH1-OE1 2.79Å; R250-E329 IonicContact CZ-OE2 2.75Å; R250-E329 IonicContact NE-OE2 3.23Å; R250-E329 PolarHBondContact NE-OE2 3.23Å; R250-E329 IonicContact NH2-OE1 3.55Å; R250-E329 IonicContact NH2-OE2 3.27Å; R250-E329 PolarHBondContact NH2-OE2 3.21Å; R250-S330 CarbonylContact C-O 3.56Å; R250-S330 WeakPolarHBondContact CA-O 3.19Å; R250-I331 HydrophobicContact CG-CG1 4.16Å; R250-I331 HydrophobicContact CG-CG2 4.33Å
251	Q	94.3	Very high	87.3	Confident	54 Å²	54	61.4 Å²	61.4	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.5	179.2	-175.8	-172.2	-57.3	0	0	109.8	R292 S330	Q251-R292 VanDerWaalsContact CD-CZ 3.44Å; Q251-R292 HydrophobicContact CG-CG 4.32Å; Q251-S330 PolarHBondContact N-O 2.75Å; Q251-S330 PolarHBondContact O-N 2.99Å; Q251-S330 VanDerWaalsContact O-N 3.12Å
252	L	94.5	Very high	89.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	108.8	-168.2	-61.4	164.9	0	0	0	108.5	F262 R292 F293 F317 L325 E329	L252-F262 HydrophobicContact CB-CZ 4.18Å; L252-F262 HydrophobicContact CD1-CE2 4.26Å; L252-F262 HydrophobicContact CD1-CZ 3.79Å; L252-R292 CarbonylContact O-C 3.59Å; L252-R292 WeakPolarHBondContact O-CA 3.5Å; L252-F293 HydrophobicContact CB-CB 4.33Å; L252-F293 PolarHBondContact N-O 2.74Å; L252-F293 PolarHBondContact O-N 2.81Å; L252-F317 HydrophobicContact CD1-CZ 4.5Å; L252-L325 HydrophobicContact CB-CD2 3.84Å; L252-L325 HydrophobicContact CD2-CD1 3.62Å; L252-L325 HydrophobicContact CD2-CD2 4.06Å; L252-L325 HydrophobicContact CD2-CG 4.47Å; L252-E329 HydrophobicContact CD2-CB 3.58Å
253	S	94.1	Very high	90.9	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.161	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	108.6	172.9	-58	0	0	0	0	108.7	L325 E326	S253-L325 CarbonylContact O-C 3.57Å; S253-L325 WeakPolarHBondContact O-CA 3.49Å; S253-L325 WeakPolarHBondContact O-CB 3.5Å; S253-L325 WeakPolarHBondContact O-CD2 3.43Å; S253-E326 PolarHBondContact O-N 3.04Å
254	V	93.3	Very high	92.1	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-98.5	139.2	-168.2	-173.4	0	0	0	0	110	L259 F262 S291 F293 F324 L325	V254-L259 HydrophobicContact CG1-CD1 4.31Å; V254-F262 HydrophobicContact CB-CD1 4.42Å; V254-F262 HydrophobicContact CG1-CB 3.72Å; V254-F262 HydrophobicContact CG1-CD1 4.01Å; V254-F262 HydrophobicContact CG1-CD2 4.37Å; V254-F262 HydrophobicContact CG1-CG 3.76Å; V254-F262 HydrophobicContact CG2-CD1 3.56Å; V254-F262 HydrophobicContact CG2-CD2 4.06Å; V254-F262 HydrophobicContact CG2-CE1 3.55Å; V254-F262 HydrophobicContact CG2-CE2 4.06Å; V254-F262 HydrophobicContact CG2-CG 3.82Å; V254-F262 HydrophobicContact CG2-CZ 3.8Å; V254-S291 WeakPolarHBondContact CB-O 3.37Å; V254-S291 PolarHBondContact N-O 3.32Å; V254-S291 WeakPolarHBondContact O-CB 3.45Å; V254-F293 HydrophobicContact CB-CE2 4.44Å; V254-F293 HydrophobicContact CG2-CD2 3.62Å; V254-F293 HydrophobicContact CG2-CE2 3.92Å; V254-F324 WeakPolarHBondContact CA-O 3.29Å; V254-F324 WeakPolarHBondContact CG1-O 3.45Å; V254-L325 HydrophobicContact CG2-CD2 3.88Å
255	L	91.8	Very high	92.7	Very high	65 Å²	65	52.3 Å²	52.3	34%	0.34	26%	0.256	S	S	.	.			trans	-62.5	134.7	172	-65.2	168.9	0	0	0	110	E257 E258 L259 F324 E326	L255-E257 PolarHBondContact O-N 3.5Å; L255-E258 HydrophobicContact CB-CB 4.3Å; L255-E258 HydrophobicContact CB-CG 4.32Å; L255-E258 HydrophobicContact CD1-CG 4.48Å; L255-E258 PolarHBondContact O-N 2.79Å; L255-E258 VanDerWaalsContact O-N 3.13Å; L255-L259 PolarHBondContact O-N 2.94Å; L255-F324 PolarHBondContact N-O 3.09Å; L255-E326 HydrophobicContact CD2-CB 3.8Å; L255-E326 HydrophobicContact CD2-CG 4.15Å; L255-E326 HydrophobicContact CG-CB 4.4Å
256	E	88.9	Confident	92.9	Very high	162 Å²	162	50.1 Å²	50.1	76%	0.757	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62.1	-31.4	-176.1	-169.9	167	-157.5	0	0	112.6	L259	E256-L259 WeakPolarHBondContact O-CB 3.46Å
257	E	91.1	Very high	93	Very high	179 Å²	179	55.5 Å²	55.5	84%	0.836	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-68.9	-31.1	178.1	-59.3	-178	-174.4	0	0	112.9	L255	L255-E257 PolarHBondContact O-N 3.5Å
258	E	91.6	Very high	92.9	Very high	63 Å²	63	59.8 Å²	59.8	29%	0.294	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-102.9	9.7	-174	-62.3	-68.1	149.5	0	0	112.6	L255 E260 E261 F262 F324	L255-E258 HydrophobicContact CB-CB 4.3Å; L255-E258 HydrophobicContact CB-CG 4.32Å; L255-E258 HydrophobicContact CD1-CG 4.48Å; L255-E258 PolarHBondContact O-N 2.79Å; L255-E258 VanDerWaalsContact O-N 3.13Å; E258-E260 VanDerWaalsContact C-N 3.31Å; E258-E260 PolarHBondContact O-N 3.44Å; E258-E261 PolarHBondContact O-N 2.98Å; E258-F262 WeakPolarHBondContact O-CB 3.29Å; E258-F262 PolarHBondContact O-N 3.35Å; E258-F324 HydrophobicContact CB-CD1 4.04Å
259	L	90.3	Very high	92.8	Very high	28 Å²	28	60 Å²	60	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-37.9	-171.2	-177.2	65.5	0	0	0	112.8	V254 L255 E256 R263 F293	V254-L259 HydrophobicContact CG1-CD1 4.31Å; L255-L259 PolarHBondContact O-N 2.94Å; E256-L259 WeakPolarHBondContact O-CB 3.46Å; L259-R263 VanDerWaalsContact O-CG 3.29Å; L259-R263 WeakPolarHBondContact O-CG 3.11Å; L259-R263 PolarHBondContact O-N 3.39Å; L259-F293 HydrophobicContact CD1-CE2 3.54Å; L259-F293 HydrophobicContact CD1-CZ 3.74Å
260	E	90	Very high	92.6	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-77.3	-42.4	-176.1	-164.2	60.7	-151.6	0	0	111.6	E258 F262 R263 L264	E258-E260 VanDerWaalsContact C-N 3.31Å; E258-E260 PolarHBondContact O-N 3.44Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 3.19Å; E260-R263 PolarHBondContact O-N 2.95Å; E260-L264 WeakPolarHBondContact O-CG 3.4Å; E260-L264 PolarHBondContact O-N 3.34Å; E260-L264 VanDerWaalsContact O-N 3.13Å
261	E	92.4	Very high	92.4	Very high	102 Å²	102	64.8 Å²	64.8	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-41.6	171.8	-73.5	107.7	169.2	0	0	111.6	E258 R263 L264 A265 F324	E258-E261 PolarHBondContact O-N 2.98Å; E261-R263 PolarHBondContact O-N 3.07Å; E261-L264 WeakPolarHBondContact O-CB 3.4Å; E261-L264 PolarHBondContact O-N 2.85Å; E261-A265 PolarHBondContact O-N 2.99Å; E261-F324 HydrophobicContact CB-CE1 3.8Å; E261-F324 HydrophobicContact CB-CZ 4.24Å
262	F	94.2	Very high	92.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-44.6	175.1	175	-96.8	0	0	0	112	L252 V254 E258 E260 L264 A265 L266 F293 F317 F324 L325	L252-F262 HydrophobicContact CB-CZ 4.18Å; L252-F262 HydrophobicContact CD1-CE2 4.26Å; L252-F262 HydrophobicContact CD1-CZ 3.79Å; V254-F262 HydrophobicContact CB-CD1 4.42Å; V254-F262 HydrophobicContact CG1-CB 3.72Å; V254-F262 HydrophobicContact CG1-CD1 4.01Å; V254-F262 HydrophobicContact CG1-CD2 4.37Å; V254-F262 HydrophobicContact CG1-CG 3.76Å; V254-F262 HydrophobicContact CG2-CD1 3.56Å; V254-F262 HydrophobicContact CG2-CD2 4.06Å; V254-F262 HydrophobicContact CG2-CE1 3.55Å; V254-F262 HydrophobicContact CG2-CE2 4.06Å; V254-F262 HydrophobicContact CG2-CG 3.82Å; V254-F262 HydrophobicContact CG2-CZ 3.8Å; E258-F262 WeakPolarHBondContact O-CB 3.29Å; E258-F262 PolarHBondContact O-N 3.35Å; E260-F262 VanDerWaalsContact C-N 3.33Å; E260-F262 PolarHBondContact O-N 3.19Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 2.98Å; F262-A265 PolarHBondContact O-N 2.97Å; F262-L266 HydrophobicContact CE1-CB 4.32Å; F262-L266 HydrophobicContact CE1-CD2 3.88Å; F262-L266 HydrophobicContact CZ-CB 4.4Å; F262-L266 HydrophobicContact CZ-CD2 4.2Å; F262-L266 VanDerWaalsContact O-CB 3.27Å; F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 3.31Å; F262-F293 HydrophobicContact CD1-CD2 4.26Å; F262-F293 HydrophobicContact CD1-CE2 4.11Å; F262-F293 HydrophobicContact CD1-CZ 4.44Å; F262-F293 HydrophobicContact CE1-CB 4.33Å; F262-F293 HydrophobicContact CE1-CD1 4.25Å; F262-F293 AromaticContact CE1-CD2 3.66Å; F262-F293 HydrophobicContact CE1-CD2 3.66Å; F262-F293 HydrophobicContact CE1-CE1 4.49Å; F262-F293 AromaticContact CE1-CE2 3.94Å; F262-F293 HydrophobicContact CE1-CE2 3.94Å; F262-F293 AromaticContact CE1-CG 3.82Å; F262-F293 HydrophobicContact CE1-CG 3.82Å; F262-F293 HydrophobicContact CE1-CZ 4.34Å; F262-F317 HydrophobicContact CE2-CE2 4.34Å; F262-F317 HydrophobicContact CE2-CZ 4.14Å; F262-F324 HydrophobicContact CB-CB 4.15Å; F262-F324 HydrophobicContact CB-CD1 4.46Å; F262-F324 HydrophobicContact CB-CD2 4.28Å; F262-F324 HydrophobicContact CB-CG 4.06Å; F262-F324 HydrophobicContact CD2-CB 3.8Å; F262-F324 AromaticContact CD2-CD2 3.8Å; F262-F324 HydrophobicContact CD2-CD2 3.8Å; F262-F324 HydrophobicContact CD2-CG 4.06Å; F262-F324 HydrophobicContact CG-CB 4.38Å; F262-L325 HydrophobicContact CE2-CD2 4.36Å
263	R	92.1	Very high	92	Very high	42 Å²	42	64.8 Å²	64.8	16%	0.158	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-38	177.1	-77.9	178.8	78	88.3	3.4	111.8	L259 E260 E261 R267 F293 L354	L259-R263 VanDerWaalsContact O-CG 3.29Å; L259-R263 WeakPolarHBondContact O-CG 3.11Å; L259-R263 PolarHBondContact O-N 3.39Å; E260-R263 PolarHBondContact O-N 2.95Å; E261-R263 PolarHBondContact O-N 3.07Å; R263-R267 VanDerWaalsContact O-CG 3.32Å; R263-R267 WeakPolarHBondContact O-CG 3.29Å; R263-R267 PolarHBondContact O-N 2.88Å; R263-R267 VanDerWaalsContact O-N 3.07Å; R263-F293 HydrophobicContact CG-CZ 4.34Å; R263-L354 PolarHBondContact NH2-O 3.04Å
264	L	93.3	Very high	91.7	Very high	84 Å²	84	67.1 Å²	67.1	44%	0.44	33%	0.332	S	S	.	.	H	α-helix	trans	-68.1	-46.1	176.2	-70.5	167.6	0	0	0	111.6	E260 E261 F262 L266 R267 Q268	E260-L264 WeakPolarHBondContact O-CG 3.4Å; E260-L264 PolarHBondContact O-N 3.34Å; E260-L264 VanDerWaalsContact O-N 3.13Å; E261-L264 WeakPolarHBondContact O-CB 3.4Å; E261-L264 PolarHBondContact O-N 2.85Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 2.98Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.09Å; L264-R267 PolarHBondContact O-N 3.47Å; L264-Q268 WeakPolarHBondContact O-CG 3.36Å; L264-Q268 PolarHBondContact O-N 2.85Å
265	A	93.6	Very high	91.4	Very high	22 Å²	22	71 Å²	71	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177.1	0	0	0	0	0	111.9	E261 F262 Q268 Y269 F317 F324	E261-A265 PolarHBondContact O-N 2.99Å; F262-A265 PolarHBondContact O-N 2.97Å; A265-Q268 PolarHBondContact O-N 3.15Å; A265-Y269 WeakPolarHBondContact O-CB 3.46Å; A265-Y269 PolarHBondContact O-N 3.29Å; A265-F317 HydrophobicContact CB-CD2 4.24Å; A265-F317 HydrophobicContact CB-CE2 4.32Å; A265-F324 HydrophobicContact CB-CE2 3.73Å; A265-F324 HydrophobicContact CB-CZ 4.28Å
266	L	93.7	Very high	91.2	Very high	8 Å²	8	69.8 Å²	69.8	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-44.2	177.4	-179.4	63.8	0	0	0	111.5	F262 L264 Y269 M270 V284 F293 L295 F317	F262-L266 HydrophobicContact CE1-CB 4.32Å; F262-L266 HydrophobicContact CE1-CD2 3.88Å; F262-L266 HydrophobicContact CZ-CB 4.4Å; F262-L266 HydrophobicContact CZ-CD2 4.2Å; F262-L266 VanDerWaalsContact O-CB 3.27Å; F262-L266 WeakPolarHBondContact O-CB 3.35Å; F262-L266 PolarHBondContact O-N 3.31Å; L264-L266 VanDerWaalsContact C-N 3.35Å; L264-L266 PolarHBondContact O-N 3.09Å; L266-Y269 PolarHBondContact O-N 3.34Å; L266-M270 HydrophobicContact CD1-CG 4.47Å; L266-M270 HydrophobicContact CG-SD 4.28Å; L266-M270 VanDerWaalsContact O-CG 3.29Å; L266-M270 WeakPolarHBondContact O-CG 3.43Å; L266-M270 PolarHBondContact O-N 2.95Å; L266-V284 HydrophobicContact CD2-CG1 4.03Å; L266-V284 HydrophobicContact CD2-CG2 4.2Å; L266-F293 HydrophobicContact CD2-CD1 4.25Å; L266-L295 HydrophobicContact CD1-CD2 4.41Å; L266-F317 HydrophobicContact CB-CE2 4.18Å; L266-F317 HydrophobicContact CB-CZ 4.42Å; L266-F317 HydrophobicContact CD1-CE1 4.48Å; L266-F317 HydrophobicContact CD1-CE2 4.24Å; L266-F317 HydrophobicContact CD1-CZ 3.71Å
267	R	92.5	Very high	91.1	Very high	117 Å²	117	68.2 Å²	68.2	44%	0.442	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-47.9	175.1	-77.8	174.6	-179.4	155.6	-1.7	111.7	R263 L264 Y269 M270 D271	R263-R267 VanDerWaalsContact O-CG 3.32Å; R263-R267 WeakPolarHBondContact O-CG 3.29Å; R263-R267 PolarHBondContact O-N 2.88Å; R263-R267 VanDerWaalsContact O-N 3.07Å; L264-R267 PolarHBondContact O-N 3.47Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 2.97Å; R267-M270 PolarHBondContact O-N 3.35Å; R267-D271 VanDerWaalsContact O-CG 3.3Å; R267-D271 PolarHBondContact O-N 3.07Å
268	Q	92	Very high	90.8	Very high	129 Å²	129	60 Å²	60	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-41.3	178	-71.2	175.1	21.5	0	0	112	L264 A265 C272	L264-Q268 WeakPolarHBondContact O-CG 3.36Å; L264-Q268 PolarHBondContact O-N 2.85Å; A265-Q268 PolarHBondContact O-N 3.15Å; Q268-C272 PolarHBondContact O-N 3.42Å; Q268-C272 PolarHBondContact O-SG 3.42Å
269	Y	94.3	Very high	90.8	Very high	5 Å²	5	58 Å²	58	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-48.2	174.6	171.4	-100.7	0	0	0	111.7	R250 A265 L266 R267 C272 A273 L295 E297 H308 Y313 F317	R250-Y269 PolarHBondContact NH1-OH 2.92Å; A265-Y269 WeakPolarHBondContact O-CB 3.46Å; A265-Y269 PolarHBondContact O-N 3.29Å; L266-Y269 PolarHBondContact O-N 3.34Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 2.97Å; Y269-C272 PolarHBondContact O-N 2.84Å; Y269-A273 HydrophobicContact CE1-CB 4.38Å; Y269-A273 WeakPolarHBondContact O-CB 3.37Å; Y269-A273 PolarHBondContact O-N 3.13Å; Y269-L295 HydrophobicContact CD1-CD2 4.45Å; Y269-L295 HydrophobicContact CE1-CD2 3.85Å; Y269-E297 PolarHBondContact OH-OE1 2.82Å; Y269-H308 AromaticContact CE2-CE1 3.88Å; Y269-H308 AromaticContact CE2-NE2 3.45Å; Y269-H308 WeakPolarHBondContact CE2-NE2 3.43Å; Y269-H308 AromaticContact CZ-NE2 3.36Å; Y269-H308 PolarHBondContact OH-NE2 3.29Å; Y269-Y313 HydrophobicContact CD2-CD2 4.17Å; Y269-Y313 HydrophobicContact CD2-CE2 4.46Å; Y269-Y313 HydrophobicContact CE2-CD2 4.48Å; Y269-Y313 HydrophobicContact CE2-CE2 4.41Å; Y269-F317 AromaticContact CD1-CD1 3.99Å; Y269-F317 HydrophobicContact CD1-CD1 3.99Å; Y269-F317 HydrophobicContact CD1-CE1 4.02Å; Y269-F317 HydrophobicContact CD1-CG 4.42Å; Y269-F317 HydrophobicContact CD1-CZ 4.48Å; Y269-F317 HydrophobicContact CD2-CB 3.7Å; Y269-F317 AromaticContact CD2-CD1 3.72Å; Y269-F317 HydrophobicContact CD2-CD1 3.72Å; Y269-F317 AromaticContact CD2-CG 3.76Å; Y269-F317 HydrophobicContact CD2-CG 3.76Å; Y269-F317 HydrophobicContact CE1-CD1 4.33Å; Y269-F317 HydrophobicContact CE1-CE1 4.36Å; Y269-F317 HydrophobicContact CE2-CB 4.49Å; Y269-F317 HydrophobicContact CE2-CD1 4.1Å; Y269-F317 HydrophobicContact CG-CB 4.1Å; Y269-F317 AromaticContact CG-CD1 3.65Å; Y269-F317 HydrophobicContact CG-CD1 3.65Å; Y269-F317 HydrophobicContact CG-CD2 4.15Å; Y269-F317 HydrophobicContact CG-CE1 4.11Å; Y269-F317 AromaticContact CG-CG 3.69Å; Y269-F317 HydrophobicContact CG-CG 3.69Å
270	M	92.6	Very high	90.7	Very high	43 Å²	43	60.6 Å²	60.6	21%	0.212	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-44.6	178.7	-72.3	176.4	66.4	0	0	112.5	L266 R267 C272 A273 C274 I282 V284	L266-M270 HydrophobicContact CD1-CG 4.47Å; L266-M270 HydrophobicContact CG-SD 4.28Å; L266-M270 VanDerWaalsContact O-CG 3.29Å; L266-M270 WeakPolarHBondContact O-CG 3.43Å; L266-M270 PolarHBondContact O-N 2.95Å; R267-M270 PolarHBondContact O-N 3.35Å; M270-C272 PolarHBondContact O-N 2.84Å; M270-A273 PolarHBondContact O-N 3.5Å; M270-C274 VanDerWaalsContact O-CB 3.29Å; M270-C274 WeakPolarHBondContact O-CB 3.33Å; M270-C274 PolarHBondContact O-N 3.2Å; M270-C274 PolarHBondContact O-SG 2.81Å; M270-I282 HydrophobicContact CE-CG2 4.18Å; M270-I282 HydrophobicContact CG-CG2 4.19Å; M270-V284 HydrophobicContact CE-CG2 3.89Å; M270-V284 HydrophobicContact SD-CG2 3.39Å; M270-V284 WeakPolarHBondContact SD-CG2 3.45Å
271	D	90.4	Very high	90.7	Very high	120 Å²	120	59.2 Å²	59.2	64%	0.642	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-38.8	179.4	-71.2	-23.2	0	0	0	111.1	R267	R267-D271 VanDerWaalsContact O-CG 3.3Å; R267-D271 PolarHBondContact O-N 3.07Å
272	C	91.8	Very high	90.7	Very high	54 Å²	54	54.9 Å²	54.9	37%	0.365	30%	0.302	S	S	.	.	H	α-helix	trans	-74.7	-41.1	176.5	-63.9	0	0	0	0	112.5	Q268 Y269 M270 A275 Y313	Q268-C272 PolarHBondContact O-N 3.42Å; Q268-C272 PolarHBondContact O-SG 3.42Å; Y269-C272 PolarHBondContact O-N 2.84Å; M270-C272 PolarHBondContact O-N 2.84Å; C272-A275 PolarHBondContact O-N 2.91Å; C272-Y313 HydrophobicContact CB-CD1 4.05Å; C272-Y313 HydrophobicContact CB-CD2 3.39Å; C272-Y313 HydrophobicContact CB-CE1 4.2Å; C272-Y313 HydrophobicContact CB-CE2 3.54Å; C272-Y313 HydrophobicContact CB-CG 3.66Å
273	A	89.1	Confident	90.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-42.2	-176.8	0	0	0	0	0	112	Y269 M270 A275 Q276 C279 I282 Y313	Y269-A273 HydrophobicContact CE1-CB 4.38Å; Y269-A273 WeakPolarHBondContact O-CB 3.37Å; Y269-A273 PolarHBondContact O-N 3.13Å; M270-A273 PolarHBondContact O-N 3.5Å; A273-A275 PolarHBondContact O-N 3.35Å; A273-Q276 VanDerWaalsContact O-CB 3.31Å; A273-Q276 WeakPolarHBondContact O-CB 3.43Å; A273-Q276 PolarHBondContact O-N 3.18Å; A273-Q276 VanDerWaalsContact O-N 3.08Å; A273-C279 VanDerWaalsContact O-CB 3.29Å; A273-C279 WeakPolarHBondContact O-CB 3.44Å; A273-I282 HydrophobicContact CB-CD1 3.28Å; A273-Y313 HydrophobicContact CB-CE2 4.37Å
274	C	87.7	Confident	90.5	Very high	71 Å²	71	56.5 Å²	56.5	48%	0.48	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-27.6	175.1	-72.8	0	0	0	0	113.1	M270 Q276	M270-C274 VanDerWaalsContact O-CB 3.29Å; M270-C274 WeakPolarHBondContact O-CB 3.33Å; M270-C274 PolarHBondContact O-N 3.2Å; M270-C274 PolarHBondContact O-SG 2.81Å; C274-Q276 VanDerWaalsContact C-N 3.27Å
275	A	86.4	Confident	90.4	Very high	85 Å²	85	56.5 Å²	56.5	70%	0.702	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.1	176.6	0	0	0	0	0	113.2	C272 A273	C272-A275 PolarHBondContact O-N 2.91Å; A273-A275 PolarHBondContact O-N 3.35Å
276	Q	86.4	Confident	90.2	Very high	38 Å²	38	61 Å²	61	18%	0.178	33%	0.33	C	S	.	.	S	Bend	trans	-78.6	133.8	-178.2	-174.2	174.9	-38.5	0	0	112	A273 C274 G278 C279 W299 H308 Y313	A273-Q276 VanDerWaalsContact O-CB 3.31Å; A273-Q276 WeakPolarHBondContact O-CB 3.43Å; A273-Q276 PolarHBondContact O-N 3.18Å; A273-Q276 VanDerWaalsContact O-N 3.08Å; C274-Q276 VanDerWaalsContact C-N 3.27Å; Q276-G278 PolarHBondContact O-N 2.96Å; Q276-C279 WeakPolarHBondContact O-CB 3.46Å; Q276-C279 PolarHBondContact O-N 3.04Å; Q276-C279 VanDerWaalsContact O-N 3.08Å; Q276-W299 HydrophobicContact CB-CH2 4.49Å; Q276-W299 HydrophobicContact CB-CZ3 4.44Å; Q276-W299 HydrophobicContact CG-CZ3 4.32Å; Q276-H308 PolarHBondContact OE1-ND1 2.92Å; Q276-Y313 PolarHBondContact OE1-OH 2.63Å
277	T	87.8	Confident	89.7	Confident	130 Å²	130	63.3 Å²	63.3	80%	0.798	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	124.3	172.1	-47.6	0	0	0	0	111.3	V304	T277-V304 VanDerWaalsContact O-CG1 3.31Å; T277-V304 WeakPolarHBondContact O-CG1 3.37Å
278	G	85.6	Confident	88.7	Confident	6 Å²	6	62.2 Å²	62.2	6%	0.062	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	4.9	-179.4	0	0	0	0	0	115.2	Q276 W299 E300	Q276-G278 PolarHBondContact O-N 2.96Å; G278-W299 WeakPolarHBondContact O-CA 3.22Å; G278-E300 VanDerWaalsContact CA-CD 3.48Å; G278-E300 WeakPolarHBondContact CA-OE2 3.44Å; G278-E300 PolarHBondContact O-N 3.04Å
279	C	90.1	Very high	87.6	Confident	21 Å²	21	63.7 Å²	63.7	14%	0.142	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.3	157	-171.6	0	0	0	0	108.7	A273 Q276 I282 W299	A273-C279 VanDerWaalsContact O-CB 3.29Å; A273-C279 WeakPolarHBondContact O-CB 3.44Å; Q276-C279 WeakPolarHBondContact O-CB 3.46Å; Q276-C279 PolarHBondContact O-N 3.04Å; Q276-C279 VanDerWaalsContact O-N 3.08Å; C279-I282 VanDerWaalsContact SG-CG1 3.57Å; C279-W299 HydrophobicContact CB-CE3 4Å; C279-W299 HydrophobicContact CB-CH2 3.81Å; C279-W299 HydrophobicContact CB-CZ3 3.53Å
280	L	89.8	Confident	86.7	Confident	83 Å²	83	68.6 Å²	68.6	44%	0.435	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-42	-178.6	-62.8	176.8	0	0	0	111.5	I245 F298 E300	I245-L280 HydrophobicContact CB-CD1 4.43Å; I245-L280 HydrophobicContact CD1-CD1 3.9Å; I245-L280 HydrophobicContact CG1-CD1 3.86Å; I245-L280 HydrophobicContact CG2-CD1 3.76Å; L280-F298 HydrophobicContact CB-CB 3.99Å; L280-F298 WeakPolarHBondContact CB-O 3.28Å; L280-F298 PolarHBondContact N-O 2.84Å; L280-E300 HydrophobicContact CD1-CG 4.17Å; L280-E300 HydrophobicContact CD2-CG 3.56Å; L280-E300 HydrophobicContact CG-CG 3.87Å
281	H	89	Confident	86.3	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.389	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	152.5	-178.4	-169.9	60.3	0	0	0	110.9	F298	H281-F298 HydrophobicContact CB-CB 4.14Å; H281-F298 HydrophobicContact CB-CD2 3.77Å; H281-F298 HydrophobicContact CB-CG 4.18Å; H281-F298 AromaticContact CD2-CD2 3.98Å; H281-F298 AromaticContact CD2-CE2 3.93Å; H281-F298 WeakPolarHBondContact O-CD2 3.4Å; H281-F298 PolarHBondContact O-N 3.3Å
282	I	91.8	Very high	86.3	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.056	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.6	170	-57.2	-176.8	0	0	0	108.2	M270 A273 C279 L295 Y296 E297	M270-I282 HydrophobicContact CE-CG2 4.18Å; M270-I282 HydrophobicContact CG-CG2 4.19Å; A273-I282 HydrophobicContact CB-CD1 3.28Å; C279-I282 VanDerWaalsContact SG-CG1 3.57Å; I282-L295 HydrophobicContact CG2-CD1 3.39Å; I282-L295 HydrophobicContact CG2-CG 4.44Å; I282-Y296 CarbonylContact C-O 3.4Å; I282-Y296 VanDerWaalsContact CA-O 3.29Å; I282-Y296 WeakPolarHBondContact CA-O 3.43Å; I282-E297 HydrophobicContact CG1-CG 4.46Å; I282-E297 HydrophobicContact CG2-CG 4.41Å
283	A	90.9	Very high	86.3	Confident	34 Å²	34	63.1 Å²	63.1	28%	0.281	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.3	175.8	0	0	0	0	0	110.3	L295 Y296	A283-L295 WeakPolarHBondContact O-CA 3.31Å; A283-Y296 PolarHBondContact N-O 3.36Å; A283-Y296 PolarHBondContact O-N 3.23Å
284	V	92.6	Very high	86.6	Confident	41 Å²	41	63.9 Å²	63.9	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.1	175.4	176.1	0	0	0	0	108.9	L266 M270 F293 I294 L295	L266-V284 HydrophobicContact CD2-CG1 4.03Å; L266-V284 HydrophobicContact CD2-CG2 4.2Å; M270-V284 HydrophobicContact CE-CG2 3.89Å; M270-V284 HydrophobicContact SD-CG2 3.39Å; M270-V284 WeakPolarHBondContact SD-CG2 3.45Å; V284-F293 HydrophobicContact CG1-CD1 3.98Å; V284-I294 CarbonylContact C-O 3.54Å; V284-I294 WeakPolarHBondContact CA-O 3.37Å; V284-L295 HydrophobicContact CG2-CD1 3.4Å; V284-L295 VanDerWaalsContact CG2-CD1 3.4Å
285	Q	91.1	Very high	86.9	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.9	171.6	-176.3	178.2	17.9	0	0	108.9	F293 I294	Q285-F293 CarbonylContact O-C 3.24Å; Q285-F293 WeakPolarHBondContact O-CA 3.45Å; Q285-I294 HydrophobicContact CB-CB 4.37Å; Q285-I294 PolarHBondContact N-O 3.28Å; Q285-I294 PolarHBondContact O-N 2.88Å
286	R	87.9	Confident	87.3	Confident	117 Å²	117	59.6 Å²	59.6	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.7	168.6	-177.4	-177.3	174.5	-175.9	1.9	109	F293	R286-F293 HydrophobicContact CB-CD1 4.06Å; R286-F293 HydrophobicContact CB-CE1 3.91Å; R286-F293 HydrophobicContact CG-CD1 4.29Å; R286-F293 HydrophobicContact CG-CE1 3.87Å; R286-F293 HydrophobicContact CG-CZ 4.01Å
287	L	84.3	Confident	87.6	Confident	56 Å²	56	57.8 Å²	57.8	29%	0.293	31%	0.31	S	S	.	.			trans	-80.7	126.7	169.6	-70.2	156.1	0	0	0	107.8	N289 R292 I294	L287-N289 VanDerWaalsContact C-N 3.27Å; L287-N289 PolarHBondContact O-N 3.37Å; L287-R292 HydrophobicContact CD1-CB 4.04Å; L287-R292 HydrophobicContact CD1-CG 3.86Å; L287-R292 PolarHBondContact N-O 2.91Å; L287-I294 HydrophobicContact CD1-CD1 4.11Å; L287-I294 HydrophobicContact CD1-CG1 4.45Å
288	A	70.4	Confident	87.9	Confident	94 Å²	94	54.3 Å²	54.3	78%	0.777	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.1	-172	0	0	0	0	0	113.6
289	N	70.1	Confident	88.3	Confident	160 Å²	160	54 Å²	54	86%	0.856	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.4	-171.8	-59.7	-4.5	0	0	0	113.2	L287	L287-N289 VanDerWaalsContact C-N 3.27Å; L287-N289 PolarHBondContact O-N 3.37Å
290	E	74	Confident	88.2	Confident	108 Å²	108	56.2 Å²	56.2	51%	0.505	29%	0.289	S	S	.	.	S	Bend	trans	-137.8	143	-179.6	-63.9	176.7	-178.9	0	0	106.7	R292	E290-R292 HydrophobicContact CB-CB 3.93Å; E290-R292 PolarHBondContact O-N 3.24Å; E290-R292 WeakPolarHBondContact OE2-CD 3.11Å; E290-R292 IonicContact OE2-NH1 3.5Å; E290-R292 PolarHBondContact OE2-NH1 3.43Å
291	S	84.6	Confident	88	Confident	33 Å²	33	57 Å²	57	23%	0.231	29%	0.29	C	S	.	.	S	Bend	trans	-70.7	48.8	173.3	-69	0	0	0	0	111.8	V254	V254-S291 WeakPolarHBondContact CB-O 3.37Å; V254-S291 PolarHBondContact N-O 3.32Å; V254-S291 WeakPolarHBondContact O-CB 3.45Å
292	R	89.9	Confident	87.9	Confident	66 Å²	66	56 Å²	56	25%	0.249	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.6	-168.8	-174	175.1	169.7	-175	0.6	110.6	Q251 L252 L287 E290	Q251-R292 VanDerWaalsContact CD-CZ 3.44Å; Q251-R292 HydrophobicContact CG-CG 4.32Å; L252-R292 CarbonylContact O-C 3.59Å; L252-R292 WeakPolarHBondContact O-CA 3.5Å; L287-R292 HydrophobicContact CD1-CB 4.04Å; L287-R292 HydrophobicContact CD1-CG 3.86Å; L287-R292 PolarHBondContact N-O 2.91Å; E290-R292 HydrophobicContact CB-CB 3.93Å; E290-R292 PolarHBondContact O-N 3.24Å; E290-R292 WeakPolarHBondContact OE2-CD 3.11Å; E290-R292 IonicContact OE2-NH1 3.5Å; E290-R292 PolarHBondContact OE2-NH1 3.43Å
293	F	93	Very high	87.7	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.1	178.4	-65.5	-101.8	0	0	0	109.6	L252 V254 L259 F262 R263 L266 V284 Q285 R286	L252-F293 HydrophobicContact CB-CB 4.33Å; L252-F293 PolarHBondContact N-O 2.74Å; L252-F293 PolarHBondContact O-N 2.81Å; V254-F293 HydrophobicContact CB-CE2 4.44Å; V254-F293 HydrophobicContact CG2-CD2 3.62Å; V254-F293 HydrophobicContact CG2-CE2 3.92Å; L259-F293 HydrophobicContact CD1-CE2 3.54Å; L259-F293 HydrophobicContact CD1-CZ 3.74Å; F262-F293 HydrophobicContact CD1-CD2 4.26Å; F262-F293 HydrophobicContact CD1-CE2 4.11Å; F262-F293 HydrophobicContact CD1-CZ 4.44Å; F262-F293 HydrophobicContact CE1-CB 4.33Å; F262-F293 HydrophobicContact CE1-CD1 4.25Å; F262-F293 AromaticContact CE1-CD2 3.66Å; F262-F293 HydrophobicContact CE1-CD2 3.66Å; F262-F293 HydrophobicContact CE1-CE1 4.49Å; F262-F293 AromaticContact CE1-CE2 3.94Å; F262-F293 HydrophobicContact CE1-CE2 3.94Å; F262-F293 AromaticContact CE1-CG 3.82Å; F262-F293 HydrophobicContact CE1-CG 3.82Å; F262-F293 HydrophobicContact CE1-CZ 4.34Å; R263-F293 HydrophobicContact CG-CZ 4.34Å; L266-F293 HydrophobicContact CD2-CD1 4.25Å; V284-F293 HydrophobicContact CG1-CD1 3.98Å; Q285-F293 CarbonylContact O-C 3.24Å; Q285-F293 WeakPolarHBondContact O-CA 3.45Å; R286-F293 HydrophobicContact CB-CD1 4.06Å; R286-F293 HydrophobicContact CB-CE1 3.91Å; R286-F293 HydrophobicContact CG-CD1 4.29Å; R286-F293 HydrophobicContact CG-CE1 3.87Å; R286-F293 HydrophobicContact CG-CZ 4.01Å
294	I	94.2	Very high	87.6	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.077	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.1	171.8	-53.5	177	0	0	0	107	Q249 R250 V284 Q285 L287 Y296	Q249-I294 HydrophobicContact CG-CG2 3.73Å; R250-I294 CarbonylContact O-C 3.59Å; R250-I294 WeakPolarHBondContact O-CA 3.35Å; V284-I294 CarbonylContact C-O 3.54Å; V284-I294 WeakPolarHBondContact CA-O 3.37Å; Q285-I294 HydrophobicContact CB-CB 4.37Å; Q285-I294 PolarHBondContact N-O 3.28Å; Q285-I294 PolarHBondContact O-N 2.88Å; L287-I294 HydrophobicContact CD1-CD1 4.11Å; L287-I294 HydrophobicContact CD1-CG1 4.45Å; I294-Y296 HydrophobicContact CB-CE2 4.25Å; I294-Y296 HydrophobicContact CG2-CD2 4.17Å; I294-Y296 HydrophobicContact CG2-CE1 4.14Å; I294-Y296 HydrophobicContact CG2-CE2 3.52Å
295	L	94.5	Very high	87.6	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	178.2	176.7	71.4	0	0	0	108.5	Q249 R250 L266 Y269 I282 A283 V284 E297	Q249-L295 CarbonylContact C-O 3.56Å; Q249-L295 WeakPolarHBondContact CA-O 3.29Å; R250-L295 HydrophobicContact CB-CB 4.23Å; R250-L295 PolarHBondContact N-O 3.23Å; R250-L295 PolarHBondContact O-N 3.17Å; L266-L295 HydrophobicContact CD1-CD2 4.41Å; Y269-L295 HydrophobicContact CD1-CD2 4.45Å; Y269-L295 HydrophobicContact CE1-CD2 3.85Å; I282-L295 HydrophobicContact CG2-CD1 3.39Å; I282-L295 HydrophobicContact CG2-CG 4.44Å; A283-L295 WeakPolarHBondContact O-CA 3.31Å; V284-L295 HydrophobicContact CG2-CD1 3.4Å; V284-L295 VanDerWaalsContact CG2-CD1 3.4Å; L295-E297 HydrophobicContact CD2-CG 4.16Å; L295-E297 VanDerWaalsContact CD2-OE1 3.29Å; L295-E297 WeakPolarHBondContact CD2-OE1 3.31Å; L295-E297 HydrophobicContact CG-CG 4.01Å
296	Y	94.4	Very high	87.6	Confident	65 Å²	65	61.1 Å²	61.1	26%	0.255	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116	174.9	-64.3	-80.1	0	0	0	109	V248 Q249 I282 A283 I294	V248-Y296 WeakPolarHBondContact O-CA 3.47Å; Q249-Y296 HydrophobicContact CB-CD1 4.2Å; Q249-Y296 HydrophobicContact CB-CE1 4.18Å; Q249-Y296 HydrophobicContact CG-CD1 4.04Å; Q249-Y296 HydrophobicContact CG-CE1 3.65Å; Q249-Y296 PolarHBondContact NE2-OH 2.86Å; I282-Y296 CarbonylContact C-O 3.4Å; I282-Y296 VanDerWaalsContact CA-O 3.29Å; I282-Y296 WeakPolarHBondContact CA-O 3.43Å; A283-Y296 PolarHBondContact N-O 3.36Å; A283-Y296 PolarHBondContact O-N 3.23Å; I294-Y296 HydrophobicContact CB-CE2 4.25Å; I294-Y296 HydrophobicContact CG2-CD2 4.17Å; I294-Y296 HydrophobicContact CG2-CE1 4.14Å; I294-Y296 HydrophobicContact CG2-CE2 3.52Å
297	E	94.4	Very high	87.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	177	-50.8	169.5	-160.8	0	0	109.7	V248 R250 Y269 I282 L295 W299	V248-E297 HydrophobicContact CB-CB 4.29Å; V248-E297 PolarHBondContact N-O 2.92Å; V248-E297 PolarHBondContact O-N 2.84Å; R250-E297 WeakPolarHBondContact CD-OE1 3.31Å; R250-E297 IonicContact NH1-OE1 2.53Å; R250-E297 PolarHBondContact NH1-OE1 2.79Å; Y269-E297 PolarHBondContact OH-OE1 2.82Å; I282-E297 HydrophobicContact CG1-CG 4.46Å; I282-E297 HydrophobicContact CG2-CG 4.41Å; L295-E297 HydrophobicContact CD2-CG 4.16Å; L295-E297 VanDerWaalsContact CD2-OE1 3.29Å; L295-E297 WeakPolarHBondContact CD2-OE1 3.31Å; L295-E297 HydrophobicContact CG-CG 4.01Å; E297-W299 VanDerWaalsContact CB-NE1 3.27Å; E297-W299 PolarHBondContact OE2-NE1 3.08Å
298	F	93.4	Very high	88	Confident	58 Å²	58	58 Å²	58	25%	0.254	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.4	-179.7	-60.9	-101.4	0	0	0	108.6	I247 L280 H281	I247-F298 HydrophobicContact CD1-CD1 4.17Å; I247-F298 HydrophobicContact CD1-CE1 3.78Å; I247-F298 HydrophobicContact CG1-CD1 3.81Å; I247-F298 HydrophobicContact CG1-CE1 3.89Å; I247-F298 HydrophobicContact CG2-CE1 4.21Å; L280-F298 HydrophobicContact CB-CB 3.99Å; L280-F298 WeakPolarHBondContact CB-O 3.28Å; L280-F298 PolarHBondContact N-O 2.84Å; H281-F298 HydrophobicContact CB-CB 4.14Å; H281-F298 HydrophobicContact CB-CD2 3.77Å; H281-F298 HydrophobicContact CB-CG 4.18Å; H281-F298 AromaticContact CD2-CD2 3.98Å; H281-F298 AromaticContact CD2-CE2 3.93Å; H281-F298 WeakPolarHBondContact O-CD2 3.4Å; H281-F298 PolarHBondContact O-N 3.3Å
299	W	93.4	Very high	89	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.1	-174.5	-64.6	95.9	0	0	0	110.9	L246 Q276 G278 C279 E297 H301 V304 W305 H308	L246-W299 HydrophobicContact CB-CB 4.23Å; L246-W299 HydrophobicContact CD2-CB 4.36Å; L246-W299 PolarHBondContact N-O 2.87Å; L246-W299 PolarHBondContact O-N 2.88Å; Q276-W299 HydrophobicContact CB-CH2 4.49Å; Q276-W299 HydrophobicContact CB-CZ3 4.44Å; Q276-W299 HydrophobicContact CG-CZ3 4.32Å; G278-W299 WeakPolarHBondContact O-CA 3.22Å; C279-W299 HydrophobicContact CB-CE3 4Å; C279-W299 HydrophobicContact CB-CH2 3.81Å; C279-W299 HydrophobicContact CB-CZ3 3.53Å; E297-W299 VanDerWaalsContact CB-NE1 3.27Å; E297-W299 PolarHBondContact OE2-NE1 3.08Å; W299-H301 VanDerWaalsContact C-N 3.33Å; W299-H301 PolarHBondContact O-N 3.32Å; W299-V304 HydrophobicContact CE3-CB 4.48Å; W299-V304 HydrophobicContact CE3-CG1 3.74Å; W299-V304 HydrophobicContact CZ3-CG1 4.02Å; W299-W305 HydrophobicContact CB-CB 4.17Å; W299-W305 AromaticContact CD1-CD1 3.69Å; W299-W305 HydrophobicContact CD2-CB 4.08Å; W299-W305 AromaticContact CE2-CD1 3.82Å; W299-W305 HydrophobicContact CG-CB 3.8Å; W299-W305 HydrophobicContact CG-CG 4.34Å; W299-W305 AromaticContact NE1-CD1 3.34Å; W299-W305 VanDerWaalsContact NE1-CD1 3.34Å; W299-H308 HydrophobicContact CH2-CB 3.6Å; W299-H308 AromaticContact CH2-CD2 3.83Å; W299-H308 AromaticContact CH2-CE1 3.8Å; W299-H308 AromaticContact CH2-CG 3.3Å; W299-H308 AromaticContact CH2-ND1 3.33Å; W299-H308 VanDerWaalsContact CH2-ND1 3.33Å; W299-H308 WeakPolarHBondContact CH2-ND1 3.49Å; W299-H308 HydrophobicContact CZ2-CB 3.97Å; W299-H308 AromaticContact CZ2-CD2 3.49Å; W299-H308 VanDerWaalsContact CZ2-CD2 3.49Å; W299-H308 WeakPolarHBondContact CZ2-CD2 3.33Å; W299-H308 AromaticContact CZ2-CE1 3.9Å; W299-H308 AromaticContact CZ2-CG 3.48Å; W299-H308 VanDerWaalsContact CZ2-CG 3.48Å; W299-H308 AromaticContact CZ2-ND1 3.78Å; W299-H308 AromaticContact CZ2-NE2 3.8Å; W299-H308 HydrophobicContact CZ3-CB 4Å
300	E	88.6	Confident	90	Very high	66 Å²	66	53 Å²	53	31%	0.308	26%	0.255	S	S	.	.	S	Bend	trans	-59	-43.6	178.3	-74.4	176.4	178	0	0	111.9	G278 L280	G278-E300 VanDerWaalsContact CA-CD 3.48Å; G278-E300 WeakPolarHBondContact CA-OE2 3.44Å; G278-E300 PolarHBondContact O-N 3.04Å; L280-E300 HydrophobicContact CD1-CG 4.17Å; L280-E300 HydrophobicContact CD2-CG 3.56Å; L280-E300 HydrophobicContact CG-CG 3.87Å
301	H	85.3	Confident	90.9	Very high	100 Å²	100	49.5 Å²	49.5	46%	0.463	24%	0.24	S	C	.	.			trans	-146	156	-179	-55.7	-49.9	0	0	0	112	W299 N303 V304 W305	W299-H301 VanDerWaalsContact C-N 3.33Å; W299-H301 PolarHBondContact O-N 3.32Å; H301-N303 PolarHBondContact O-N 3.39Å; H301-V304 HydrophobicContact CB-CG2 4.22Å; H301-V304 PolarHBondContact O-N 2.85Å; H301-W305 PolarHBondContact O-N 2.91Å
302	N	86.9	Confident	91.2	Very high	63 Å²	63	54.4 Å²	54.4	34%	0.337	26%	0.264	S	S	.	.	H	α-helix	trans	-54	-39.9	174	-169.5	-14.6	0	0	0	112.7	V304 W305 K306	N302-V304 VanDerWaalsContact C-N 3.32Å; N302-V304 PolarHBondContact O-N 3.27Å; N302-W305 PolarHBondContact O-N 2.94Å; N302-K306 WeakPolarHBondContact O-CG 3.22Å; N302-K306 PolarHBondContact O-N 3.42Å; N302-K306 WeakPolarHBondContact OD1-CE 3.26Å
303	N	86.9	Confident	91.4	Very high	113 Å²	113	54.2 Å²	54.2	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-66.5	-33.6	179.7	-66.7	-16.3	0	0	0	112.8	H301 K306 N307	H301-N303 PolarHBondContact O-N 3.39Å; N303-K306 PolarHBondContact O-N 3.38Å; N303-N307 WeakPolarHBondContact O-CB 3.3Å; N303-N307 PolarHBondContact O-N 2.94Å; N303-N307 PolarHBondContact O-ND2 2.88Å
304	V	89.5	Confident	91.3	Very high	28 Å²	28	54 Å²	54	17%	0.17	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-44.3	177.1	-178.6	0	0	0	0	110.1	T277 W299 H301 N302 N307 H308	T277-V304 VanDerWaalsContact O-CG1 3.31Å; T277-V304 WeakPolarHBondContact O-CG1 3.37Å; W299-V304 HydrophobicContact CE3-CB 4.48Å; W299-V304 HydrophobicContact CE3-CG1 3.74Å; W299-V304 HydrophobicContact CZ3-CG1 4.02Å; H301-V304 HydrophobicContact CB-CG2 4.22Å; H301-V304 PolarHBondContact O-N 2.85Å; N302-V304 VanDerWaalsContact C-N 3.32Å; N302-V304 PolarHBondContact O-N 3.27Å; V304-N307 PolarHBondContact O-N 2.71Å; V304-H308 WeakPolarHBondContact O-CB 3.37Å; V304-H308 PolarHBondContact O-N 3.44Å
305	W	92.4	Very high	91.3	Very high	31 Å²	31	56.2 Å²	56.2	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-45.2	174.2	174.5	62.2	0	0	0	112.2	L246 V248 W299 H301 N302 N307 H308 L309 I331 T333	L246-W305 HydrophobicContact CD2-CB 3.64Å; L246-W305 HydrophobicContact CD2-CD2 3.92Å; L246-W305 HydrophobicContact CD2-CE3 3.83Å; L246-W305 HydrophobicContact CD2-CG 3.87Å; V248-W305 HydrophobicContact CG1-CZ2 3.86Å; V248-W305 HydrophobicContact CG2-CD2 3.95Å; V248-W305 HydrophobicContact CG2-CG 4.05Å; V248-W305 HydrophobicContact CG2-CZ2 4.24Å; W299-W305 HydrophobicContact CB-CB 4.17Å; W299-W305 AromaticContact CD1-CD1 3.69Å; W299-W305 HydrophobicContact CD2-CB 4.08Å; W299-W305 AromaticContact CE2-CD1 3.82Å; W299-W305 HydrophobicContact CG-CB 3.8Å; W299-W305 HydrophobicContact CG-CG 4.34Å; W299-W305 AromaticContact NE1-CD1 3.34Å; W299-W305 VanDerWaalsContact NE1-CD1 3.34Å; H301-W305 PolarHBondContact O-N 2.91Å; N302-W305 PolarHBondContact O-N 2.94Å; W305-N307 VanDerWaalsContact C-N 3.28Å; W305-N307 PolarHBondContact O-N 2.89Å; W305-H308 WeakPolarHBondContact O-CA 3.45Å; W305-H308 VanDerWaalsContact O-CB 3.23Å; W305-H308 WeakPolarHBondContact O-CB 3.39Å; W305-H308 PolarHBondContact O-N 3.4Å; W305-H308 VanDerWaalsContact O-N 3.08Å; W305-L309 HydrophobicContact CD2-CD1 4.2Å; W305-L309 HydrophobicContact CH2-CD1 4.1Å; W305-L309 HydrophobicContact CZ2-CD1 3.71Å; W305-L309 HydrophobicContact CZ2-CD2 4.48Å; W305-L309 HydrophobicContact CZ2-CG 4.47Å; W305-L309 HydrophobicContact CZ3-CD1 4.49Å; W305-L309 WeakPolarHBondContact O-CG 3.42Å; W305-L309 PolarHBondContact O-N 3.04Å; W305-I331 HydrophobicContact CZ2-CG2 4.3Å; W305-T333 HydrophobicContact CH2-CG2 3.91Å; W305-T333 HydrophobicContact CZ2-CG2 4.4Å; W305-T333 HydrophobicContact CZ3-CG2 4.2Å
306	K	90.6	Very high	91.2	Very high	106 Å²	106	60.5 Å²	60.5	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-40.9	175.2	-76.3	178	176.5	174	0	112.3	N302 N303 L309 Q310	N302-K306 WeakPolarHBondContact O-CG 3.22Å; N302-K306 PolarHBondContact O-N 3.42Å; N302-K306 WeakPolarHBondContact OD1-CE 3.26Å; N303-K306 PolarHBondContact O-N 3.38Å; K306-L309 PolarHBondContact O-N 3.16Å; K306-Q310 WeakPolarHBondContact O-CG 3.34Å; K306-Q310 PolarHBondContact O-N 2.82Å
307	N	90.2	Very high	91.2	Very high	108 Å²	108	57.8 Å²	57.8	58%	0.578	29%	0.288	S	S	*	.	H	α-helix	trans	-66.4	-39.9	175.3	-70.2	-19.4	0	0	0	111.7	N303 V304 W305 L309 Q310	N303-N307 WeakPolarHBondContact O-CB 3.3Å; N303-N307 PolarHBondContact O-N 2.94Å; N303-N307 PolarHBondContact O-ND2 2.88Å; V304-N307 PolarHBondContact O-N 2.71Å; W305-N307 VanDerWaalsContact C-N 3.28Å; W305-N307 PolarHBondContact O-N 2.89Å; N307-L309 VanDerWaalsContact C-N 3.34Å; N307-L309 PolarHBondContact O-N 3.12Å; N307-Q310 WeakPolarHBondContact O-CB 3.28Å; N307-Q310 PolarHBondContact O-N 2.74Å
308	H	91.4	Very high	91.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.9	-47.8	172.9	172	75.4	0	0	0	111.8	Y269 Q276 W299 V304 W305 Q310 T311 Y313 S314	Y269-H308 AromaticContact CE2-CE1 3.88Å; Y269-H308 AromaticContact CE2-NE2 3.45Å; Y269-H308 WeakPolarHBondContact CE2-NE2 3.43Å; Y269-H308 AromaticContact CZ-NE2 3.36Å; Y269-H308 PolarHBondContact OH-NE2 3.29Å; Q276-H308 PolarHBondContact OE1-ND1 2.92Å; W299-H308 HydrophobicContact CH2-CB 3.6Å; W299-H308 AromaticContact CH2-CD2 3.83Å; W299-H308 AromaticContact CH2-CE1 3.8Å; W299-H308 AromaticContact CH2-CG 3.3Å; W299-H308 AromaticContact CH2-ND1 3.33Å; W299-H308 VanDerWaalsContact CH2-ND1 3.33Å; W299-H308 WeakPolarHBondContact CH2-ND1 3.49Å; W299-H308 HydrophobicContact CZ2-CB 3.97Å; W299-H308 AromaticContact CZ2-CD2 3.49Å; W299-H308 VanDerWaalsContact CZ2-CD2 3.49Å; W299-H308 WeakPolarHBondContact CZ2-CD2 3.33Å; W299-H308 AromaticContact CZ2-CE1 3.9Å; W299-H308 AromaticContact CZ2-CG 3.48Å; W299-H308 VanDerWaalsContact CZ2-CG 3.48Å; W299-H308 AromaticContact CZ2-ND1 3.78Å; W299-H308 AromaticContact CZ2-NE2 3.8Å; W299-H308 HydrophobicContact CZ3-CB 4Å; V304-H308 WeakPolarHBondContact O-CB 3.37Å; V304-H308 PolarHBondContact O-N 3.44Å; W305-H308 WeakPolarHBondContact O-CA 3.45Å; W305-H308 VanDerWaalsContact O-CB 3.23Å; W305-H308 WeakPolarHBondContact O-CB 3.39Å; W305-H308 PolarHBondContact O-N 3.4Å; W305-H308 VanDerWaalsContact O-N 3.08Å; H308-Q310 PolarHBondContact O-N 3.1Å; H308-Q310 VanDerWaalsContact O-N 3.09Å; H308-T311 VanDerWaalsContact O-CB 3.31Å; H308-T311 WeakPolarHBondContact O-CB 3.42Å; H308-T311 VanDerWaalsContact O-CG2 3.3Å; H308-T311 WeakPolarHBondContact O-CG2 3.38Å; H308-T311 PolarHBondContact O-N 3.11Å; H308-T311 PolarHBondContact O-OG1 3Å; H308-Y313 AromaticContact CE1-CE2 3.44Å; H308-Y313 VanDerWaalsContact CE1-CE2 3.44Å; H308-Y313 WeakPolarHBondContact CE1-CE2 3.14Å; H308-Y313 AromaticContact CE1-CZ 3.76Å; H308-Y313 PolarHBondContact CE1-OH 3.25Å; H308-Y313 VanDerWaalsContact CE1-OH 3.27Å; H308-Y313 AromaticContact ND1-CE2 3.92Å; H308-Y313 AromaticContact ND1-CZ 3.74Å; H308-Y313 PolarHBondContact ND1-OH 3.47Å; H308-S314 VanDerWaalsContact O-CB 3.26Å; H308-S314 WeakPolarHBondContact O-CB 3.39Å
309	L	90.9	Very high	91.1	Very high	31 Å²	31	66 Å²	66	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-22.9	178.1	-62.1	179.3	0	0	0	113.2	W305 K306 N307	W305-L309 HydrophobicContact CD2-CD1 4.2Å; W305-L309 HydrophobicContact CH2-CD1 4.1Å; W305-L309 HydrophobicContact CZ2-CD1 3.71Å; W305-L309 HydrophobicContact CZ2-CD2 4.48Å; W305-L309 HydrophobicContact CZ2-CG 4.47Å; W305-L309 HydrophobicContact CZ3-CD1 4.49Å; W305-L309 WeakPolarHBondContact O-CG 3.42Å; W305-L309 PolarHBondContact O-N 3.04Å; K306-L309 PolarHBondContact O-N 3.16Å; N307-L309 VanDerWaalsContact C-N 3.34Å; N307-L309 PolarHBondContact O-N 3.12Å
310	Q	91.3	Very high	90.9	Very high	118 Å²	118	66.8 Å²	66.8	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-83.5	-12.6	177.9	-63.6	-54.4	-40.2	0	0	114.2	K306 N307 H308 K315	K306-Q310 WeakPolarHBondContact O-CG 3.34Å; K306-Q310 PolarHBondContact O-N 2.82Å; N307-Q310 WeakPolarHBondContact O-CB 3.28Å; N307-Q310 PolarHBondContact O-N 2.74Å; H308-Q310 PolarHBondContact O-N 3.1Å; H308-Q310 VanDerWaalsContact O-N 3.09Å; Q310-K315 WeakPolarHBondContact O-CE 3.42Å; Q310-K315 PolarHBondContact O-NZ 3.07Å; Q310-K315 VanDerWaalsContact OE1-CE 3.25Å
311	T	92.6	Very high	91	Very high	33 Å²	33	64 Å²	64	20%	0.202	31%	0.314	C	S	.	.	S	Bend	trans	-65.1	153.5	-179.9	65.6	0	0	0	0	111.9	H308 Y313 S314 K315	H308-T311 VanDerWaalsContact O-CB 3.31Å; H308-T311 WeakPolarHBondContact O-CB 3.42Å; H308-T311 VanDerWaalsContact O-CG2 3.3Å; H308-T311 WeakPolarHBondContact O-CG2 3.38Å; H308-T311 PolarHBondContact O-N 3.11Å; H308-T311 PolarHBondContact O-OG1 3Å; T311-Y313 VanDerWaalsContact C-N 3.35Å; T311-Y313 VanDerWaalsContact CB-CE1 3.43Å; T311-Y313 HydrophobicContact CG2-CE1 3.76Å; T311-Y313 PolarHBondContact O-N 2.93Å; T311-Y313 WeakPolarHBondContact OG1-CE1 3.16Å; T311-S314 PolarHBondContact O-N 3.08Å; T311-S314 VanDerWaalsContact OG1-CB 3.22Å; T311-S314 WeakPolarHBondContact OG1-CB 3.31Å; T311-S314 PolarHBondContact OG1-N 2.85Å; T311-K315 WeakPolarHBondContact O-CG 3.23Å; T311-K315 PolarHBondContact O-N 2.95Å
312	N	92.4	Very high	91.3	Very high	136 Å²	136	64.8 Å²	64.8	73%	0.727	33%	0.326	S	S	*	.	H	α-helix	trans	-62.3	-42.7	-178.3	-68.9	-35.9	0	0	0	111.8	K315 T316	N312-K315 PolarHBondContact O-N 3.14Å; N312-T316 WeakPolarHBondContact O-CB 3.32Å; N312-T316 PolarHBondContact O-N 2.89Å; N312-T316 PolarHBondContact O-OG1 2.53Å
313	Y	92.4	Very high	91.5	Very high	63 Å²	63	67 Å²	67	25%	0.247	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-38	-178.7	66.6	-94.3	0	0	0	112	Y269 C272 A273 Q276 H308 T311 T316 F317	Y269-Y313 HydrophobicContact CD2-CD2 4.17Å; Y269-Y313 HydrophobicContact CD2-CE2 4.46Å; Y269-Y313 HydrophobicContact CE2-CD2 4.48Å; Y269-Y313 HydrophobicContact CE2-CE2 4.41Å; C272-Y313 HydrophobicContact CB-CD1 4.05Å; C272-Y313 HydrophobicContact CB-CD2 3.39Å; C272-Y313 HydrophobicContact CB-CE1 4.2Å; C272-Y313 HydrophobicContact CB-CE2 3.54Å; C272-Y313 HydrophobicContact CB-CG 3.66Å; A273-Y313 HydrophobicContact CB-CE2 4.37Å; Q276-Y313 PolarHBondContact OE1-OH 2.63Å; H308-Y313 AromaticContact CE1-CE2 3.44Å; H308-Y313 VanDerWaalsContact CE1-CE2 3.44Å; H308-Y313 WeakPolarHBondContact CE1-CE2 3.14Å; H308-Y313 AromaticContact CE1-CZ 3.76Å; H308-Y313 PolarHBondContact CE1-OH 3.25Å; H308-Y313 VanDerWaalsContact CE1-OH 3.27Å; H308-Y313 AromaticContact ND1-CE2 3.92Å; H308-Y313 AromaticContact ND1-CZ 3.74Å; H308-Y313 PolarHBondContact ND1-OH 3.47Å; T311-Y313 VanDerWaalsContact C-N 3.35Å; T311-Y313 VanDerWaalsContact CB-CE1 3.43Å; T311-Y313 HydrophobicContact CG2-CE1 3.76Å; T311-Y313 PolarHBondContact O-N 2.93Å; T311-Y313 WeakPolarHBondContact OG1-CE1 3.16Å; Y313-T316 PolarHBondContact O-N 2.96Å; Y313-F317 WeakPolarHBondContact O-CB 3.47Å; Y313-F317 PolarHBondContact O-N 3.26Å
314	S	92	Very high	91.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-42.3	174.2	-175.7	0	0	0	0	111.7	H308 T311 F317 Q318	H308-S314 VanDerWaalsContact O-CB 3.26Å; H308-S314 WeakPolarHBondContact O-CB 3.39Å; T311-S314 PolarHBondContact O-N 3.08Å; T311-S314 VanDerWaalsContact OG1-CB 3.22Å; T311-S314 WeakPolarHBondContact OG1-CB 3.31Å; T311-S314 PolarHBondContact OG1-N 2.85Å; S314-F317 PolarHBondContact O-N 3.4Å; S314-Q318 WeakPolarHBondContact O-CG 3.48Å; S314-Q318 PolarHBondContact O-N 2.72Å
315	K	93.6	Very high	91.8	Very high	61 Å²	61	62.5 Å²	62.5	27%	0.265	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-39.1	176.2	-75.2	173.8	173.4	154.9	0	112.4	Q310 T311 N312 F317 Q318 R319	Q310-K315 WeakPolarHBondContact O-CE 3.42Å; Q310-K315 PolarHBondContact O-NZ 3.07Å; Q310-K315 VanDerWaalsContact OE1-CE 3.25Å; T311-K315 WeakPolarHBondContact O-CG 3.23Å; T311-K315 PolarHBondContact O-N 2.95Å; N312-K315 PolarHBondContact O-N 3.14Å; K315-F317 VanDerWaalsContact C-N 3.34Å; K315-Q318 PolarHBondContact O-N 2.9Å; K315-R319 VanDerWaalsContact O-CG 3.3Å; K315-R319 WeakPolarHBondContact O-CG 3.21Å; K315-R319 PolarHBondContact O-N 3.49Å
316	T	93.5	Very high	91.8	Very high	90 Å²	90	67.9 Å²	67.9	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-44.6	175.1	-63.6	0	0	0	0	110.6	N312 Y313 R319 G320	N312-T316 WeakPolarHBondContact O-CB 3.32Å; N312-T316 PolarHBondContact O-N 2.89Å; N312-T316 PolarHBondContact O-OG1 2.53Å; Y313-T316 PolarHBondContact O-N 2.96Å; T316-R319 PolarHBondContact O-N 3.24Å; T316-G320 PolarHBondContact O-N 3.31Å
317	F	94.2	Very high	91.8	Very high	9 Å²	9	66 Å²	66	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-46.2	175.7	-176.3	-111.7	0	0	0	112	L252 F262 A265 L266 Y269 Y313 S314 K315 R319 G320 N321	L252-F317 HydrophobicContact CD1-CZ 4.5Å; F262-F317 HydrophobicContact CE2-CE2 4.34Å; F262-F317 HydrophobicContact CE2-CZ 4.14Å; A265-F317 HydrophobicContact CB-CD2 4.24Å; A265-F317 HydrophobicContact CB-CE2 4.32Å; L266-F317 HydrophobicContact CB-CE2 4.18Å; L266-F317 HydrophobicContact CB-CZ 4.42Å; L266-F317 HydrophobicContact CD1-CE1 4.48Å; L266-F317 HydrophobicContact CD1-CE2 4.24Å; L266-F317 HydrophobicContact CD1-CZ 3.71Å; Y269-F317 AromaticContact CD1-CD1 3.99Å; Y269-F317 HydrophobicContact CD1-CD1 3.99Å; Y269-F317 HydrophobicContact CD1-CE1 4.02Å; Y269-F317 HydrophobicContact CD1-CG 4.42Å; Y269-F317 HydrophobicContact CD1-CZ 4.48Å; Y269-F317 HydrophobicContact CD2-CB 3.7Å; Y269-F317 AromaticContact CD2-CD1 3.72Å; Y269-F317 HydrophobicContact CD2-CD1 3.72Å; Y269-F317 AromaticContact CD2-CG 3.76Å; Y269-F317 HydrophobicContact CD2-CG 3.76Å; Y269-F317 HydrophobicContact CE1-CD1 4.33Å; Y269-F317 HydrophobicContact CE1-CE1 4.36Å; Y269-F317 HydrophobicContact CE2-CB 4.49Å; Y269-F317 HydrophobicContact CE2-CD1 4.1Å; Y269-F317 HydrophobicContact CG-CB 4.1Å; Y269-F317 AromaticContact CG-CD1 3.65Å; Y269-F317 HydrophobicContact CG-CD1 3.65Å; Y269-F317 HydrophobicContact CG-CD2 4.15Å; Y269-F317 HydrophobicContact CG-CE1 4.11Å; Y269-F317 AromaticContact CG-CG 3.69Å; Y269-F317 HydrophobicContact CG-CG 3.69Å; Y313-F317 WeakPolarHBondContact O-CB 3.47Å; Y313-F317 PolarHBondContact O-N 3.26Å; S314-F317 PolarHBondContact O-N 3.4Å; K315-F317 VanDerWaalsContact C-N 3.34Å; F317-R319 VanDerWaalsContact C-N 3.31Å; F317-R319 PolarHBondContact O-N 2.86Å; F317-G320 PolarHBondContact O-N 3.31Å; F317-N321 PolarHBondContact O-N 2.78Å; F317-N321 PolarHBondContact O-OD1 2.67Å
318	Q	92.1	Very high	91.7	Very high	59 Å²	59	66.6 Å²	66.6	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-35.1	175.9	-75.6	173.5	-9.1	0	0	113.7	S314 K315	S314-Q318 WeakPolarHBondContact O-CG 3.48Å; S314-Q318 PolarHBondContact O-N 2.72Å; K315-Q318 PolarHBondContact O-N 2.9Å
319	R	92.4	Very high	91.8	Very high	172 Å²	172	69.2 Å²	69.2	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-70.5	-43.1	174.6	-72.5	173.1	-168.9	160.6	1.7	111.3	K315 T316 F317 N321 V322	K315-R319 VanDerWaalsContact O-CG 3.3Å; K315-R319 WeakPolarHBondContact O-CG 3.21Å; K315-R319 PolarHBondContact O-N 3.49Å; T316-R319 PolarHBondContact O-N 3.24Å; F317-R319 VanDerWaalsContact C-N 3.31Å; F317-R319 PolarHBondContact O-N 2.86Å; R319-N321 PolarHBondContact O-N 3.4Å; R319-V322 WeakPolarHBondContact O-CB 3.46Å; R319-V322 WeakPolarHBondContact O-CG2 3.31Å; R319-V322 PolarHBondContact O-N 3.35Å; R319-V322 VanDerWaalsContact O-N 3.09Å
320	G	89.4	Confident	91.9	Very high	15 Å²	15	70.5 Å²	70.5	16%	0.155	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-31.3	176.2	0	0	0	0	0	112.9	T316 F317 V322 D323 F324	T316-G320 PolarHBondContact O-N 3.31Å; F317-G320 PolarHBondContact O-N 3.31Å; G320-V322 PolarHBondContact O-N 2.97Å; G320-D323 PolarHBondContact O-N 3.08Å; G320-F324 VanDerWaalsContact C-CD2 3.45Å; G320-F324 WeakPolarHBondContact O-CD2 3.48Å; G320-F324 WeakPolarHBondContact O-CG 3.3Å; G320-F324 PolarHBondContact O-N 3.33Å; G320-F324 VanDerWaalsContact O-N 3.14Å
321	N	91	Very high	92	Very high	7 Å²	7	68 Å²	68	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-22.9	174	-74.5	-4.5	0	0	0	113.6	F317 R319 D323 L325 E329	F317-N321 PolarHBondContact O-N 2.78Å; F317-N321 PolarHBondContact O-OD1 2.67Å; R319-N321 PolarHBondContact O-N 3.4Å; N321-D323 VanDerWaalsContact C-N 3.29Å; N321-L325 HydrophobicContact CB-CD1 3.76Å; N321-L325 HydrophobicContact CB-CG 4.14Å; N321-L325 VanDerWaalsContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CB 3.21Å; N321-L325 WeakPolarHBondContact O-CG 3.49Å; N321-L325 PolarHBondContact O-N 3.06Å; N321-L325 VanDerWaalsContact O-N 3.16Å; N321-E329 PolarHBondContact ND2-OE2 3.44Å
322	V	91.4	Very high	92.1	Very high	117 Å²	117	70.2 Å²	70.2	71%	0.709	37%	0.372	S	S	*	.	H	α-helix	trans	-66.5	-34.8	174.6	180	0	0	0	0	111.4	R319 G320	R319-V322 WeakPolarHBondContact O-CB 3.46Å; R319-V322 WeakPolarHBondContact O-CG2 3.31Å; R319-V322 PolarHBondContact O-N 3.35Å; R319-V322 VanDerWaalsContact O-N 3.09Å; G320-V322 PolarHBondContact O-N 2.97Å
323	D	91.3	Very high	92.1	Very high	110 Å²	110	67.2 Å²	67.2	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-86.5	-27.4	-178.4	-56.7	-37.6	0	0	0	111.2	G320 N321	G320-D323 PolarHBondContact O-N 3.08Å; N321-D323 VanDerWaalsContact C-N 3.29Å
324	F	91.4	Very high	92.1	Very high	28 Å²	28	69.9 Å²	69.9	12%	0.123	38%	0.375	C	S	.	.	H	α-helix	trans	-92.4	-24.9	-173.9	-56.8	-38.2	0	0	0	115.5	V254 L255 E258 E261 F262 A265 G320	V254-F324 WeakPolarHBondContact CA-O 3.29Å; V254-F324 WeakPolarHBondContact CG1-O 3.45Å; L255-F324 PolarHBondContact N-O 3.09Å; E258-F324 HydrophobicContact CB-CD1 4.04Å; E261-F324 HydrophobicContact CB-CE1 3.8Å; E261-F324 HydrophobicContact CB-CZ 4.24Å; F262-F324 HydrophobicContact CB-CB 4.15Å; F262-F324 HydrophobicContact CB-CD1 4.46Å; F262-F324 HydrophobicContact CB-CD2 4.28Å; F262-F324 HydrophobicContact CB-CG 4.06Å; F262-F324 HydrophobicContact CD2-CB 3.8Å; F262-F324 AromaticContact CD2-CD2 3.8Å; F262-F324 HydrophobicContact CD2-CD2 3.8Å; F262-F324 HydrophobicContact CD2-CG 4.06Å; F262-F324 HydrophobicContact CG-CB 4.38Å; A265-F324 HydrophobicContact CB-CE2 3.73Å; A265-F324 HydrophobicContact CB-CZ 4.28Å; G320-F324 VanDerWaalsContact C-CD2 3.45Å; G320-F324 WeakPolarHBondContact O-CD2 3.48Å; G320-F324 WeakPolarHBondContact O-CG 3.3Å; G320-F324 PolarHBondContact O-N 3.33Å; G320-F324 VanDerWaalsContact O-N 3.14Å
325	L	92.4	Very high	91.9	Very high	19 Å²	19	75.2 Å²	75.2	10%	0.099	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-100.8	137.6	-168.2	-57.2	179.7	0	0	0	113.5	L252 S253 V254 F262 N321 T327 E329	L252-L325 HydrophobicContact CB-CD2 3.84Å; L252-L325 HydrophobicContact CD2-CD1 3.62Å; L252-L325 HydrophobicContact CD2-CD2 4.06Å; L252-L325 HydrophobicContact CD2-CG 4.47Å; S253-L325 CarbonylContact O-C 3.57Å; S253-L325 WeakPolarHBondContact O-CA 3.49Å; S253-L325 WeakPolarHBondContact O-CB 3.5Å; S253-L325 WeakPolarHBondContact O-CD2 3.43Å; V254-L325 HydrophobicContact CG2-CD2 3.88Å; F262-L325 HydrophobicContact CE2-CD2 4.36Å; N321-L325 HydrophobicContact CB-CD1 3.76Å; N321-L325 HydrophobicContact CB-CG 4.14Å; N321-L325 VanDerWaalsContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CB 3.21Å; N321-L325 WeakPolarHBondContact O-CG 3.49Å; N321-L325 PolarHBondContact O-N 3.06Å; N321-L325 VanDerWaalsContact O-N 3.16Å; L325-T327 WeakPolarHBondContact CB-O 3.4Å; L325-E329 HydrophobicContact CD1-CB 3.95Å
326	E	91.6	Very high	91.5	Very high	143 Å²	143	74.8 Å²	74.8	67%	0.668	41%	0.405	S	S	*	.	S	Bend	trans	-71.4	-37.6	172.9	-173.5	-179.5	-170.3	0	0	111.6	S253 L255	S253-E326 PolarHBondContact O-N 3.04Å; L255-E326 HydrophobicContact CD2-CB 3.8Å; L255-E326 HydrophobicContact CD2-CG 4.15Å; L255-E326 HydrophobicContact CG-CB 4.4Å
327	T	90.3	Very high	91	Very high	67 Å²	67	75.4 Å²	75.4	41%	0.411	41%	0.411	S	S	.	.	S	Bend	trans	-127.5	150	177	60.9	0	0	0	0	110	L325	L325-T327 WeakPolarHBondContact CB-O 3.4Å
328	P	89.2	Confident	89.7	Confident	121 Å²	121	75.7 Å²	75.7	79%	0.786	42%	0.416	S	S	*	.			trans	-51	145	175.7	-25.8	33.9	0	0	0	112.9	S330	P328-S330 PolarHBondContact O-N 3.45Å
329	E	93	Very high	88	Confident	55 Å²	55	82 Å²	82	26%	0.257	44%	0.443	S	S	.	.			trans	-61.2	138.2	178	69.2	177.3	179.7	0	0	111.5	R250 L252 N321 L325 I331	R250-E329 IonicContact CZ-OE2 2.75Å; R250-E329 IonicContact NE-OE2 3.23Å; R250-E329 PolarHBondContact NE-OE2 3.23Å; R250-E329 IonicContact NH2-OE1 3.55Å; R250-E329 IonicContact NH2-OE2 3.27Å; R250-E329 PolarHBondContact NH2-OE2 3.21Å; L252-E329 HydrophobicContact CD2-CB 3.58Å; N321-E329 PolarHBondContact ND2-OE2 3.44Å; L325-E329 HydrophobicContact CD1-CB 3.95Å; E329-I331 HydrophobicContact CG-CD1 4.38Å; E329-I331 HydrophobicContact CG-CG1 4.34Å
330	S	92.2	Very high	85.9	Confident	58 Å²	58	80.3 Å²	80.3	41%	0.406	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.4	172.7	178.4	0	0	0	0	109.6	R250 Q251 P328	R250-S330 CarbonylContact C-O 3.56Å; R250-S330 WeakPolarHBondContact CA-O 3.19Å; Q251-S330 PolarHBondContact N-O 2.75Å; Q251-S330 PolarHBondContact O-N 2.99Å; Q251-S330 VanDerWaalsContact O-N 3.12Å; P328-S330 PolarHBondContact O-N 3.45Å
331	I	93.6	Very high	83.7	Confident	66 Å²	66	85.4 Å²	85.4	34%	0.338	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.3	-177.1	-53.8	-179.1	0	0	0	109.2	V248 Q249 R250 W305 E329 T333	V248-I331 HydrophobicContact CG1-CG2 3.8Å; Q249-I331 CarbonylContact O-C 3.57Å; Q249-I331 WeakPolarHBondContact O-CA 3.32Å; R250-I331 HydrophobicContact CG-CG1 4.16Å; R250-I331 HydrophobicContact CG-CG2 4.33Å; W305-I331 HydrophobicContact CZ2-CG2 4.3Å; E329-I331 HydrophobicContact CG-CD1 4.38Å; E329-I331 HydrophobicContact CG-CG1 4.34Å; I331-T333 HydrophobicContact CG2-CG2 4.48Å
332	T	93.7	Very high	81	Confident	78 Å²	78	95.6 Å²	95.6	48%	0.479	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.1	173.8	-59.1	0	0	0	0	109.6	Q249	Q249-T332 PolarHBondContact N-O 3.4Å; Q249-T332 PolarHBondContact O-N 3.29Å
333	T	93	Very high	78.4	Confident	74 Å²	74	95.2 Å²	95.2	45%	0.454	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.2	-179.7	63.8	0	0	0	0	111	I247 V248 W305 I331	I247-T333 CarbonylContact O-C 3.54Å; I247-T333 VanDerWaalsContact O-CA 3.31Å; I247-T333 WeakPolarHBondContact O-CA 3.48Å; V248-T333 HydrophobicContact CG1-CG2 4.3Å; V248-T333 HydrophobicContact CG2-CG2 4.17Å; W305-T333 HydrophobicContact CH2-CG2 3.91Å; W305-T333 HydrophobicContact CZ2-CG2 4.4Å; W305-T333 HydrophobicContact CZ3-CG2 4.2Å; I331-T333 HydrophobicContact CG2-CG2 4.48Å
334	M	92.6	Very high	75.8	Confident	119 Å²	119	95.4 Å²	95.4	59%	0.586	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.8	178.9	-175.3	-176.6	-67.7	0	0	109.9	I247 V336	I247-M334 PolarHBondContact N-O 2.91Å; I247-M334 PolarHBondContact O-N 2.7Å; M334-V336 HydrophobicContact CG-CG2 4.08Å; M334-V336 HydrophobicContact SD-CG2 4.06Å
335	L	88.9	Confident	73.4	Confident	112 Å²	112	98.9 Å²	98.9	59%	0.586	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.6	171.6	-69.9	173.3	0	0	0	109.2	L246	L246-L335 HydrophobicContact CB-CD2 4.29Å; L246-L335 HydrophobicContact CD1-CD2 3.77Å; L246-L335 HydrophobicContact CD1-CG 4.44Å
336	V	85.2	Confident	71.1	Confident	52 Å²	52	103.7 Å²	103.7	32%	0.315	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	134.3	179.2	-175.5	0	0	0	0	109.1	H244 I245 I247 M334 G338	H244-V336 CarbonylContact C-O 3.5Å; H244-V336 WeakPolarHBondContact CA-O 3.45Å; I245-V336 PolarHBondContact N-O 2.93Å; I245-V336 PolarHBondContact O-N 2.87Å; I247-V336 HydrophobicContact CD1-CB 4.4Å; I247-V336 HydrophobicContact CD1-CG2 3.54Å; I247-V336 HydrophobicContact CG1-CG2 4.14Å; M334-V336 HydrophobicContact CG-CG2 4.08Å; M334-V336 HydrophobicContact SD-CG2 4.06Å; V336-G338 PolarHBondContact O-N 2.85Å
337	P	82.6	Confident	68.2	Low	103 Å²	103	103.1 Å²	103.1	67%	0.669	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-57.1	124.3	172.1	-23	33.3	0	0	0	110.5
338	G	65.4	Low	65.5	Low	14 Å²	14	105 Å²	105	14%	0.144	59%	0.589	C	S	.	*			trans	-125	142.7	177.8	0	0	0	0	0	110	S243 V336	S243-G338 CarbonylContact C-O 3.59Å; S243-G338 WeakPolarHBondContact CB-O 3.26Å; S243-G338 PolarHBondContact O-N 3.23Å; S243-G338 PolarHBondContact OG-O 3.19Å; V336-G338 PolarHBondContact O-N 2.85Å
339	K	57.7	Low	62.6	Low	193 Å²	193	106.5 Å²	106.5	84%	0.839	58%	0.583	S	S	*	*			trans	-99.3	118.5	163.6	-72.8	-173.2	178.1	-179.1	0	107.3	T341	K339-T341 PolarHBondContact O-N 2.7Å
340	E	48.3	Very low	59.5	Low	136 Å²	136	108.6 Å²	108.6	64%	0.636	60%	0.6	S	S	*	*			trans	-57.5	102	169.3	-94.5	-173.2	143.1	0	0	109.1
341	T	42.5	Very low	56.6	Low	121 Å²	121	114.3 Å²	114.3	74%	0.742	62%	0.618	S	S	*	*			trans	-105	103.6	158.5	48.6	0	0	0	0	105.3	K339 P343	K339-T341 PolarHBondContact O-N 2.7Å; T341-P343 WeakPolarHBondContact O-CD 3.4Å
342	R	35	Very low	53.7	Low	222 Å²	222	118.1 Å²	118.1	84%	0.838	64%	0.639	S	S	*	*			trans	-56.2	114.9	172.9	-73.3	-177.3	-177.4	178.3	1	107.7	S344	R342-S344 PolarHBondContact O-N 2.88Å; R342-S344 VanDerWaalsContact O-N 3.14Å
343	P	37.6	Very low	50.9	Low	108 Å²	108	119.9 Å²	119.9	70%	0.701	64%	0.644	S	S	*	*			trans	-74.4	113.3	174.4	28.1	-25.6	0	0	0	107	T341 S345	T341-P343 WeakPolarHBondContact O-CD 3.4Å; P343-S345 PolarHBondContact O-N 2.81Å
344	S	36.4	Very low	48.3	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	67%	0.674	S	S	*	*			trans	-66.5	109.2	157.3	6.2	0	0	0	0	105.8	R342	R342-S344 PolarHBondContact O-N 2.88Å; R342-S344 VanDerWaalsContact O-N 3.14Å
345	S	40.8	Very low	46	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	68%	0.679	S	S	*	*	S	Bend	trans	57.9	106.4	162.7	-52.7	0	0	0	0	116.4	P343	P343-S345 PolarHBondContact O-N 2.81Å
346	T	43.9	Very low	43.8	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	68%	0.683	S	S	*	*			trans	62.5	73.6	145.7	-32.3	0	0	0	0	116.2	V348	T346-V348 HydrophobicContact CG2-CG2 4.17Å
347	N	30.7	Very low	41.5	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	70%	0.704	S	S	*	*			trans	-110.8	88.2	152.4	-81.9	-36.6	0	0	0	108.9	F349	N347-F349 VanDerWaalsContact C-N 3.34Å; N347-F349 HydrophobicContact CB-CD2 4.31Å; N347-F349 HydrophobicContact CB-CE2 4.13Å; N347-F349 PolarHBondContact O-N 2.85Å; N347-F349 VanDerWaalsContact O-N 3.1Å
348	V	32.4	Very low	39.1	Very low	106 Å²	106	133.2 Å²	133.2	64%	0.642	71%	0.706	S	S	*	*			trans	-71.3	94.2	164	-179.7	0	0	0	0	106.3	T346 T350	T346-V348 HydrophobicContact CG2-CG2 4.17Å; V348-T350 HydrophobicContact CG1-CG2 3.7Å; V348-T350 PolarHBondContact O-N 3.24Å
349	F	30.3	Very low	37.4	Very low	153 Å²	153	140.7 Å²	140.7	67%	0.671	74%	0.741	S	S	*	*			trans	-76.8	82.4	160.2	-77.7	-78.8	0	0	0	107.5	N347 F351	N347-F349 VanDerWaalsContact C-N 3.34Å; N347-F349 HydrophobicContact CB-CD2 4.31Å; N347-F349 HydrophobicContact CB-CE2 4.13Å; N347-F349 PolarHBondContact O-N 2.85Å; N347-F349 VanDerWaalsContact O-N 3.1Å; F349-F351 PolarHBondContact O-N 3.23Å
350	T	27.8	Very low	36.1	Very low	99 Å²	99	137.2 Å²	137.2	61%	0.607	74%	0.735	S	S	*	*			trans	-72.5	99	163.8	23.8	0	0	0	0	108.4	V348	V348-T350 HydrophobicContact CG1-CG2 3.7Å; V348-T350 PolarHBondContact O-N 3.24Å
351	F	31.1	Very low	35.2	Very low	179 Å²	179	137.3 Å²	137.3	79%	0.785	74%	0.742	S	S	*	*			trans	-85.1	96.7	148.1	-92.7	-88.4	0	0	0	106.9	F349 I353	F349-F351 PolarHBondContact O-N 3.23Å; F351-I353 PolarHBondContact O-N 2.98Å; F351-I353 VanDerWaalsContact O-N 3.1Å
352	N	32.2	Very low	34.6	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	74%	0.742	S	S	*	*			trans	-66.2	106.6	166.6	-82.9	-26.4	0	0	0	108
353	I	34.4	Very low	34.6	Very low	116 Å²	116	131.6 Å²	131.6	60%	0.595	73%	0.734	S	S	*	*			trans	-129.7	84.4	158.9	-52.9	-179.2	0	0	0	107.6	F351	F351-I353 PolarHBondContact O-N 2.98Å; F351-I353 VanDerWaalsContact O-N 3.1Å
354	L	37.8	Very low	34.3	Very low	207 Å²	207	133.7 Å²	133.7	100%	1.084	74%	0.737	S	S	*	*			trans	58.6	0	158	-68.9	162.3	0	0	0	120.8	R263	R263-L354 PolarHBondContact NH2-O 3.04Å

Retrieved 354 of 354 residues in 893.1 ms (Link to these results)

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